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 2zhr_1_B DATA FIRST_RESID -1 DATA SEQUENCE FVEMVDNLRG KSGQGYYVEM TVGSPPQTLN ILVDTGSSNF AVGAAPHPFL DATA SEQUENCE HRYYQRQLSS TYRDLRKGVY VPYTQGKWEG ELGTDLVSIP HGPNVTVRAN DATA SEQUENCE IAAITESDKF FINGSNWEGI LGLAYAEIAR PDDSLEPFFD SLVKQTHVPN DATA SEQUENCE LFSLQLcGAG FPLNQSEVLA SVGGSMIIGG IDHSLYTGSL WYTPIRREWY DATA SEQUENCE YEVIIVRVEI NGQDLKMDcK EYNYDKSIVD SGTTNLRLPK KVFEAAVKSI DATA SEQUENCE KAASSTEKFP DGFWLGEQLV cWQAGTTPWN IFPVISLYLM GEVTNQSFRI DATA SEQUENCE TILPQQYLRP VEDVXXSQDD cYKFAISQSS TGTVMGAVIM EGFYVVFDRA DATA SEQUENCE RKRIGFAVSA cHVHDEFRTA AVEGPFVTLD MEDcGYN 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 F HA 0.000 nan 4.527 nan 0.000 0.279 -1 F C 0.000 175.824 175.800 0.040 0.000 0.967 -1 F CA 0.000 58.029 58.000 0.048 0.000 1.383 -1 F CB 0.000 39.038 39.000 0.063 0.000 1.145 0 V N -1.358 118.639 119.914 0.138 0.000 2.332 0 V HA -0.233 3.887 4.120 0.000 0.000 0.248 0 V C 2.255 178.408 176.094 0.098 0.000 1.055 0 V CA 2.388 64.745 62.300 0.095 0.000 1.038 0 V CB -0.300 31.553 31.823 0.049 0.000 0.651 0 V HN 0.578 nan 8.190 nan 0.000 0.450 1 E N 0.958 121.225 120.200 0.111 0.000 2.273 1 E HA -0.280 4.070 4.350 0.000 0.000 0.198 1 E C 1.915 178.606 176.600 0.152 0.000 1.002 1 E CA 2.225 58.701 56.400 0.128 0.000 0.828 1 E CB -0.620 29.157 29.700 0.127 0.000 0.747 1 E HN 0.691 nan 8.360 nan 0.000 0.491 2 M N 0.641 120.338 119.600 0.162 0.000 2.461 2 M HA 0.122 4.602 4.480 0.000 0.000 0.255 2 M C 0.371 176.722 176.300 0.084 0.000 1.137 2 M CA -0.111 55.275 55.300 0.143 0.000 1.086 2 M CB 1.032 33.732 32.600 0.167 0.000 1.356 2 M HN -0.203 nan 8.290 nan 0.000 0.487 3 V N 2.859 122.817 119.914 0.073 0.000 2.673 3 V HA -0.089 4.031 4.120 0.000 0.000 0.303 3 V C 0.252 176.337 176.094 -0.014 0.000 1.046 3 V CA 0.597 62.914 62.300 0.029 0.000 1.126 3 V CB 0.209 32.048 31.823 0.028 0.000 0.934 3 V HN 0.557 nan 8.190 nan 0.000 0.487 4 D N 2.920 123.304 120.400 -0.028 0.000 2.907 4 D HA -0.166 4.474 4.640 0.000 0.000 0.226 4 D C 0.795 177.047 176.300 -0.080 0.000 1.141 4 D CA 1.119 55.087 54.000 -0.053 0.000 0.779 4 D CB -1.012 39.752 40.800 -0.059 0.000 1.095 4 D HN 0.936 nan 8.370 nan 0.000 0.430 5 N N 0.150 118.817 118.700 -0.055 0.000 2.383 5 N HA 0.021 4.761 4.740 0.000 0.000 0.192 5 N C 0.468 175.952 175.510 -0.045 0.000 1.141 5 N CA 0.165 53.187 53.050 -0.048 0.000 0.851 5 N CB 0.267 38.779 38.487 0.042 0.000 0.976 5 N HN 0.362 nan 8.380 nan 0.000 0.465 6 L N -0.129 121.051 121.223 -0.072 0.000 2.322 6 L HA 0.581 4.922 4.340 0.000 0.000 0.269 6 L C 0.224 176.994 176.870 -0.166 0.000 1.012 6 L CA -0.909 53.862 54.840 -0.115 0.000 0.815 6 L CB 1.812 43.830 42.059 -0.068 0.000 1.295 6 L HN -0.045 nan 8.230 nan 0.000 0.438 7 R N 0.043 120.314 120.500 -0.381 0.000 2.774 7 R HA 0.784 5.124 4.340 0.000 0.000 0.272 7 R C -0.618 175.377 176.300 -0.510 0.000 1.000 7 R CA -0.456 55.388 56.100 -0.427 0.000 0.906 7 R CB 2.410 32.398 30.300 -0.519 0.000 1.227 7 R HN 0.870 nan 8.270 nan 0.000 0.468 8 G N 1.106 109.752 108.800 -0.256 0.000 2.331 8 G HA2 -0.018 3.942 3.960 0.000 0.000 0.479 8 G HA3 -0.018 3.942 3.960 0.000 0.000 0.479 8 G C -1.742 172.794 174.900 -0.607 0.000 1.262 8 G CA -0.481 44.437 45.100 -0.302 0.000 1.029 8 G HN 0.681 nan 8.290 nan 0.000 0.487 9 K N -2.328 117.562 120.400 -0.850 0.000 2.548 9 K HA 0.726 5.046 4.320 0.000 0.000 0.282 9 K C 1.308 177.542 176.600 -0.610 0.000 1.006 9 K CA 0.071 55.925 56.287 -0.722 0.000 0.892 9 K CB 1.244 33.593 32.500 -0.251 0.000 1.499 9 K HN 1.285 nan 8.250 nan 0.000 0.433 10 S N -0.192 115.407 115.700 -0.167 0.000 2.383 10 S HA -0.148 4.322 4.470 0.000 0.000 0.229 10 S C 1.887 176.481 174.600 -0.010 0.000 1.030 10 S CA 1.389 59.609 58.200 0.034 0.000 1.002 10 S CB -0.972 62.295 63.200 0.112 0.000 0.829 10 S HN 0.802 nan 8.310 nan 0.000 0.467 11 G N 0.686 109.466 108.800 -0.034 0.000 2.422 11 G HA2 -0.028 3.933 3.960 0.000 0.000 0.218 11 G HA3 -0.028 3.933 3.960 0.000 0.000 0.218 11 G C 1.475 176.371 174.900 -0.007 0.000 1.140 11 G CA 0.597 45.688 45.100 -0.014 0.000 0.775 11 G HN 0.661 nan 8.290 nan 0.000 0.545 12 Q N -0.846 118.942 119.800 -0.019 0.000 2.214 12 Q HA 0.386 4.726 4.340 0.000 0.000 0.229 12 Q C 0.765 176.874 176.000 0.182 0.000 0.835 12 Q CA 0.210 56.057 55.803 0.073 0.000 0.953 12 Q CB 1.695 30.463 28.738 0.050 0.000 1.131 12 Q HN 0.454 nan 8.270 nan 0.000 0.501 13 G N 0.763 109.552 108.800 -0.019 0.000 2.629 13 G HA2 -0.197 3.763 3.960 0.000 0.000 0.686 13 G HA3 -0.197 3.763 3.960 0.000 0.000 0.686 13 G C -1.430 173.363 174.900 -0.177 0.000 1.232 13 G CA -0.995 44.064 45.100 -0.068 0.000 0.803 13 G HN 0.113 nan 8.290 nan 0.000 0.638 14 Y N 0.149 120.420 120.300 -0.048 0.000 2.360 14 Y HA 0.700 5.250 4.550 0.000 0.000 0.337 14 Y C 0.707 176.549 175.900 -0.096 0.000 1.039 14 Y CA -0.214 57.834 58.100 -0.088 0.000 1.109 14 Y CB 1.786 40.178 38.460 -0.114 0.000 1.201 14 Y HN 0.819 nan 8.280 nan 0.000 0.458 15 Y N 0.026 120.355 120.300 0.048 0.000 2.576 15 Y HA 0.840 5.391 4.550 0.000 0.000 0.346 15 Y C -1.685 174.234 175.900 0.032 0.000 1.018 15 Y CA -1.684 56.406 58.100 -0.016 0.000 1.050 15 Y CB 0.988 39.465 38.460 0.028 0.000 1.280 15 Y HN 0.448 nan 8.280 nan 0.000 0.474 16 V N 1.213 121.228 119.914 0.169 0.000 3.001 16 V HA 0.437 4.557 4.120 0.000 0.000 0.314 16 V C -0.860 175.348 176.094 0.189 0.000 1.099 16 V CA -0.896 61.468 62.300 0.108 0.000 0.989 16 V CB 1.896 33.728 31.823 0.014 0.000 1.040 16 V HN 0.992 nan 8.190 nan 0.000 0.434 17 E N 4.553 124.858 120.200 0.176 0.000 2.313 17 E HA 0.527 4.877 4.350 0.000 0.000 0.276 17 E C -0.848 175.793 176.600 0.069 0.000 1.031 17 E CA -0.272 56.220 56.400 0.154 0.000 0.857 17 E CB 0.976 30.781 29.700 0.176 0.000 1.040 17 E HN 0.684 nan 8.360 nan 0.000 0.408 18 M N 1.851 121.480 119.600 0.049 0.000 2.664 18 M HA 0.349 4.829 4.480 0.000 0.000 0.279 18 M C -0.997 175.315 176.300 0.019 0.000 1.275 18 M CA -0.924 54.382 55.300 0.009 0.000 0.829 18 M CB 2.618 35.206 32.600 -0.021 0.000 1.727 18 M HN 0.582 nan 8.290 nan 0.000 0.459 19 T N -0.320 114.243 114.554 0.016 0.000 2.886 19 T HA 0.781 5.131 4.350 0.000 0.000 0.292 19 T C -0.772 173.942 174.700 0.024 0.000 1.012 19 T CA -0.825 61.283 62.100 0.013 0.000 0.982 19 T CB 1.422 70.294 68.868 0.007 0.000 1.018 19 T HN 0.681 nan 8.240 nan 0.000 0.451 20 V N -0.671 119.239 119.914 -0.007 0.000 2.735 20 V HA 1.012 5.132 4.120 0.000 0.000 0.310 20 V C 0.480 176.596 176.094 0.038 0.000 1.061 20 V CA 0.159 62.440 62.300 -0.032 0.000 0.913 20 V CB 0.662 32.317 31.823 -0.279 0.000 1.005 20 V HN 2.034 nan 8.190 nan 0.000 0.428 21 G N 3.053 111.913 108.800 0.099 0.000 2.795 21 G HA2 0.112 4.073 3.960 0.000 0.000 0.664 21 G HA3 0.112 4.073 3.960 0.000 0.000 0.664 21 G C -0.393 174.566 174.900 0.099 0.000 1.381 21 G CA -0.283 44.910 45.100 0.156 0.000 0.853 21 G HN 1.823 nan 8.290 nan 0.000 0.545 22 S N 2.422 118.178 115.700 0.094 0.000 2.707 22 S HA 0.702 5.172 4.470 0.000 0.000 0.303 22 S C -2.160 172.468 174.600 0.047 0.000 1.132 22 S CA -0.577 57.658 58.200 0.059 0.000 1.046 22 S CB 2.758 65.991 63.200 0.055 0.000 1.004 22 S HN 0.807 nan 8.310 nan 0.000 0.483 23 P HA 0.276 nan 4.420 nan 0.000 0.272 23 P C -2.902 174.415 177.300 0.027 0.000 1.240 23 P CA -1.619 61.494 63.100 0.022 0.000 0.791 23 P CB -0.789 30.916 31.700 0.008 0.000 0.978 24 P HA 0.079 nan 4.420 nan 0.000 0.261 24 P C -0.492 176.815 177.300 0.011 0.000 1.183 24 P CA 0.772 63.884 63.100 0.019 0.000 0.761 24 P CB 0.080 31.785 31.700 0.009 0.000 0.785 25 Q N 1.829 121.639 119.800 0.018 0.000 2.368 25 Q HA 0.258 4.598 4.340 0.000 0.000 0.263 25 Q C -0.287 175.710 176.000 -0.005 0.000 1.009 25 Q CA -0.431 55.375 55.803 0.005 0.000 0.818 25 Q CB 1.013 29.774 28.738 0.039 0.000 1.239 25 Q HN 0.357 nan 8.270 nan 0.000 0.464 26 T N 3.599 118.146 114.554 -0.013 0.000 2.901 26 T HA 0.393 4.743 4.350 0.000 0.000 0.301 26 T C -0.175 174.523 174.700 -0.003 0.000 1.012 26 T CA 0.155 62.252 62.100 -0.004 0.000 1.135 26 T CB 0.223 69.089 68.868 -0.002 0.000 0.936 26 T HN 0.353 nan 8.240 nan 0.000 0.539 27 L N 3.245 124.479 121.223 0.018 0.000 2.505 27 L HA 0.410 4.751 4.340 0.000 0.000 0.259 27 L C -0.534 176.377 176.870 0.069 0.000 0.952 27 L CA -1.163 53.694 54.840 0.029 0.000 0.840 27 L CB 2.058 44.129 42.059 0.020 0.000 1.358 27 L HN 0.442 nan 8.230 nan 0.000 0.409 28 N N 3.540 122.279 118.700 0.064 0.000 2.408 28 N HA 0.429 5.169 4.740 0.000 0.000 0.257 28 N C -0.933 174.672 175.510 0.159 0.000 1.064 28 N CA -0.293 52.817 53.050 0.099 0.000 0.952 28 N CB 1.588 39.978 38.487 -0.161 0.000 1.093 28 N HN 0.316 nan 8.380 nan 0.000 0.490 29 I N 2.941 123.624 120.570 0.188 0.000 2.362 29 I HA 0.206 4.376 4.170 0.000 0.000 0.289 29 I C 0.317 176.448 176.117 0.024 0.000 0.994 29 I CA -1.001 60.378 61.300 0.132 0.000 1.158 29 I CB 1.165 39.229 38.000 0.107 0.000 1.315 29 I HN 0.264 nan 8.210 nan 0.000 0.451 30 L N 8.054 129.144 121.223 -0.223 0.000 2.513 30 L HA 0.114 4.455 4.340 0.000 0.000 0.272 30 L C -0.140 176.555 176.870 -0.291 0.000 1.187 30 L CA 0.448 54.973 54.840 -0.525 0.000 0.895 30 L CB 0.637 41.897 42.059 -1.332 0.000 1.147 30 L HN 0.335 nan 8.230 nan 0.000 0.483 31 V N 5.501 125.290 119.914 -0.209 0.000 2.427 31 V HA 0.188 4.308 4.120 0.000 0.000 0.268 31 V C -0.219 175.771 176.094 -0.174 0.000 1.046 31 V CA -0.120 62.068 62.300 -0.188 0.000 0.970 31 V CB 0.820 32.549 31.823 -0.156 0.000 1.001 31 V HN 0.879 nan 8.190 nan 0.000 0.476 32 D N 2.715 123.023 120.400 -0.154 0.000 2.421 32 D HA 0.271 4.911 4.640 0.000 0.000 0.254 32 D C 1.045 177.322 176.300 -0.039 0.000 1.238 32 D CA -0.185 53.767 54.000 -0.080 0.000 0.919 32 D CB 1.472 42.247 40.800 -0.042 0.000 1.152 32 D HN 0.583 nan 8.370 nan 0.000 0.552 33 T N -0.005 114.525 114.554 -0.039 0.000 3.160 33 T HA 0.124 4.474 4.350 0.000 0.000 0.257 33 T C 1.554 176.380 174.700 0.210 0.000 1.147 33 T CA 0.182 62.307 62.100 0.041 0.000 1.064 33 T CB 0.310 69.095 68.868 -0.138 0.000 0.949 33 T HN 0.317 nan 8.240 nan 0.000 0.526 34 G N 0.937 109.837 108.800 0.167 0.000 3.284 34 G HA2 0.445 4.406 3.960 0.000 0.000 0.236 34 G HA3 0.445 4.406 3.960 0.000 0.000 0.236 34 G C 0.228 175.255 174.900 0.211 0.000 1.158 34 G CA 0.066 45.305 45.100 0.232 0.000 0.774 34 G HN 0.775 nan 8.290 nan 0.000 0.545 35 S N -2.044 113.738 115.700 0.136 0.000 2.656 35 S HA 0.613 5.084 4.470 0.000 0.000 0.273 35 S C -0.112 174.512 174.600 0.039 0.000 1.168 35 S CA -0.350 57.905 58.200 0.091 0.000 0.817 35 S CB 1.739 65.110 63.200 0.284 0.000 1.146 35 S HN -0.058 nan 8.310 nan 0.000 0.475 36 S N 0.376 116.089 115.700 0.021 0.000 2.846 36 S HA 0.390 4.860 4.470 0.000 0.000 0.249 36 S C -0.614 174.060 174.600 0.123 0.000 1.028 36 S CA -0.477 57.747 58.200 0.040 0.000 1.043 36 S CB -0.476 62.721 63.200 -0.006 0.000 0.990 36 S HN 0.674 nan 8.310 nan 0.000 0.564 37 N N 1.350 120.164 118.700 0.190 0.000 2.372 37 N HA 0.464 5.204 4.740 0.000 0.000 0.291 37 N C -1.443 174.290 175.510 0.372 0.000 1.024 37 N CA -0.458 52.762 53.050 0.283 0.000 0.873 37 N CB 0.907 39.592 38.487 0.330 0.000 1.206 37 N HN 0.120 nan 8.380 nan 0.000 0.486 38 F N 2.840 122.883 119.950 0.154 0.000 2.371 38 F HA 0.729 5.256 4.527 0.000 0.000 0.363 38 F C -0.505 175.322 175.800 0.045 0.000 1.122 38 F CA -1.399 56.647 58.000 0.076 0.000 1.129 38 F CB -0.267 38.776 39.000 0.071 0.000 1.173 38 F HN 0.497 nan 8.300 nan 0.000 0.489 39 A N 5.497 128.224 122.820 -0.155 0.000 2.498 39 A HA 0.862 5.182 4.320 0.000 0.000 0.298 39 A C -1.489 175.850 177.584 -0.408 0.000 1.075 39 A CA -0.303 51.465 52.037 -0.449 0.000 0.714 39 A CB 1.698 20.237 19.000 -0.768 0.000 1.299 39 A HN 1.181 nan 8.150 nan 0.000 0.407 40 V N -1.255 118.432 119.914 -0.378 0.000 3.049 40 V HA 0.915 5.035 4.120 0.000 0.000 0.309 40 V C 0.321 176.417 176.094 0.002 0.000 1.148 40 V CA -0.305 61.915 62.300 -0.132 0.000 0.990 40 V CB 1.268 32.969 31.823 -0.204 0.000 1.039 40 V HN 1.758 nan 8.190 nan 0.000 0.430 41 G N 1.029 109.921 108.800 0.154 0.000 2.365 41 G HA2 0.530 4.490 3.960 0.000 0.000 0.249 41 G HA3 0.530 4.490 3.960 0.000 0.000 0.249 41 G C 0.553 175.544 174.900 0.153 0.000 1.288 41 G CA 0.153 45.328 45.100 0.125 0.000 0.887 41 G HN 1.852 nan 8.290 nan 0.000 0.524 42 A N 1.550 124.444 122.820 0.123 0.000 2.508 42 A HA 0.774 5.094 4.320 0.000 0.000 0.257 42 A C 0.865 178.561 177.584 0.188 0.000 1.226 42 A CA 0.738 52.893 52.037 0.196 0.000 0.947 42 A CB 0.186 19.224 19.000 0.063 0.000 1.079 42 A HN 1.740 nan 8.150 nan 0.000 0.531 43 A N -0.007 122.710 122.820 -0.172 0.000 2.574 43 A HA 0.707 5.027 4.320 0.000 0.000 0.297 43 A C -3.230 173.784 177.584 -0.951 0.000 1.062 43 A CA -1.485 50.223 52.037 -0.548 0.000 0.686 43 A CB 0.489 19.369 19.000 -0.200 0.000 1.285 43 A HN 0.010 nan 8.150 nan 0.000 0.403 44 P HA 0.190 nan 4.420 nan 0.000 0.261 44 P C -0.811 176.291 177.300 -0.330 0.000 1.165 44 P CA 1.132 63.825 63.100 -0.679 0.000 0.759 44 P CB 0.043 31.522 31.700 -0.368 0.000 0.772 45 H N 2.998 121.856 119.070 -0.353 0.000 2.865 45 H HA 0.323 4.879 4.556 0.000 0.000 0.362 45 H C -1.912 173.275 175.328 -0.235 0.000 1.114 45 H CA -1.962 53.914 56.048 -0.286 0.000 1.208 45 H CB 1.615 31.170 29.762 -0.345 0.000 1.727 45 H HN 0.179 nan 8.280 nan 0.000 0.534 46 P HA -0.196 nan 4.420 nan 0.000 0.217 46 P C 0.547 177.885 177.300 0.064 0.000 1.151 46 P CA 1.307 64.215 63.100 -0.320 0.000 0.849 46 P CB 0.118 31.460 31.700 -0.596 0.000 0.787 47 F N -1.984 118.065 119.950 0.164 0.000 2.754 47 F HA 0.178 4.705 4.527 0.000 0.000 0.297 47 F C 1.211 176.945 175.800 -0.111 0.000 1.122 47 F CA -0.480 57.549 58.000 0.049 0.000 1.400 47 F CB -0.927 38.120 39.000 0.079 0.000 1.117 47 F HN -0.157 nan 8.300 nan 0.000 0.587 48 L N -0.280 120.968 121.223 0.042 0.000 2.289 48 L HA 0.235 4.576 4.340 0.000 0.000 0.285 48 L C 1.482 178.380 176.870 0.046 0.000 1.049 48 L CA -0.269 54.506 54.840 -0.109 0.000 0.804 48 L CB 1.454 43.330 42.059 -0.305 0.000 1.195 48 L HN 0.113 nan 8.230 nan 0.000 0.428 49 H N 4.036 123.070 119.070 -0.060 0.000 2.551 49 H HA 0.160 4.716 4.556 0.000 0.000 0.266 49 H C 0.018 175.363 175.328 0.028 0.000 0.964 49 H CA -0.180 55.858 56.048 -0.017 0.000 1.180 49 H CB 0.510 30.250 29.762 -0.036 0.000 1.408 49 H HN 0.621 nan 8.280 nan 0.000 0.563 50 R N -0.733 119.834 120.500 0.111 0.000 2.709 50 R HA 0.243 4.583 4.340 0.000 0.000 0.270 50 R C -2.056 174.358 176.300 0.190 0.000 1.038 50 R CA -0.965 55.188 56.100 0.089 0.000 0.872 50 R CB 0.989 31.238 30.300 -0.085 0.000 1.259 50 R HN 0.035 nan 8.270 nan 0.000 0.473 51 Y N -1.708 118.556 120.300 -0.059 0.000 2.705 51 Y HA 0.541 5.091 4.550 0.000 0.000 0.332 51 Y C -1.515 174.408 175.900 0.038 0.000 1.221 51 Y CA -1.853 56.225 58.100 -0.036 0.000 1.059 51 Y CB 0.343 38.765 38.460 -0.064 0.000 1.298 51 Y HN 0.604 nan 8.280 nan 0.000 0.459 52 Y N 2.331 122.614 120.300 -0.029 0.000 2.377 52 Y HA 0.409 4.959 4.550 0.000 0.000 0.330 52 Y C -0.622 175.186 175.900 -0.153 0.000 1.108 52 Y CA -0.908 57.120 58.100 -0.120 0.000 1.308 52 Y CB 0.952 39.356 38.460 -0.093 0.000 1.216 52 Y HN 0.692 nan 8.280 nan 0.000 0.518 53 Q N 6.929 126.519 119.800 -0.351 0.000 2.607 53 Q HA 0.298 4.638 4.340 0.000 0.000 0.247 53 Q C 0.869 176.491 176.000 -0.631 0.000 1.033 53 Q CA -0.464 55.060 55.803 -0.464 0.000 0.769 53 Q CB 1.163 29.698 28.738 -0.338 0.000 1.169 53 Q HN 0.806 nan 8.270 nan 0.000 0.508 54 R N 1.154 121.054 120.500 -1.000 0.000 2.119 54 R HA -0.233 4.108 4.340 0.000 0.000 0.246 54 R C 2.091 178.087 176.300 -0.507 0.000 1.146 54 R CA 1.871 57.342 56.100 -1.048 0.000 0.962 54 R CB -0.006 29.385 30.300 -1.514 0.000 0.863 54 R HN 0.575 nan 8.270 nan 0.000 0.442 55 Q N 1.098 120.691 119.800 -0.344 0.000 2.508 55 Q HA -0.142 4.198 4.340 0.000 0.000 0.214 55 Q C 1.298 177.237 176.000 -0.103 0.000 0.979 55 Q CA 1.435 57.145 55.803 -0.156 0.000 0.911 55 Q CB 0.005 28.673 28.738 -0.116 0.000 0.969 55 Q HN 0.468 nan 8.270 nan 0.000 0.504 56 L N 0.460 121.604 121.223 -0.132 0.000 2.693 56 L HA 0.283 4.623 4.340 0.000 0.000 0.235 56 L C 0.645 177.500 176.870 -0.025 0.000 1.127 56 L CA -0.218 54.578 54.840 -0.073 0.000 0.914 56 L CB 0.596 42.600 42.059 -0.091 0.000 1.193 56 L HN -0.012 nan 8.230 nan 0.000 0.502 57 S N -0.360 115.336 115.700 -0.006 0.000 2.438 57 S HA 0.177 4.647 4.470 0.000 0.000 0.316 57 S C 1.246 175.913 174.600 0.112 0.000 1.084 57 S CA -0.369 57.880 58.200 0.081 0.000 1.107 57 S CB 1.305 64.606 63.200 0.167 0.000 0.981 57 S HN 0.327 nan 8.310 nan 0.000 0.466 58 S N 3.180 118.930 115.700 0.084 0.000 2.423 58 S HA -0.110 4.360 4.470 0.000 0.000 0.231 58 S C 1.482 176.135 174.600 0.089 0.000 1.014 58 S CA 1.378 59.622 58.200 0.074 0.000 0.965 58 S CB -0.853 62.375 63.200 0.048 0.000 0.785 58 S HN 0.852 nan 8.310 nan 0.000 0.495 59 T N -2.136 112.484 114.554 0.111 0.000 3.086 59 T HA 0.218 4.569 4.350 0.000 0.000 0.250 59 T C 0.256 175.040 174.700 0.140 0.000 1.074 59 T CA -0.600 61.561 62.100 0.101 0.000 0.988 59 T CB -0.739 68.182 68.868 0.089 0.000 0.988 59 T HN 0.450 nan 8.240 nan 0.000 0.530 60 Y N 3.116 123.458 120.300 0.070 0.000 2.511 60 Y HA 0.401 4.951 4.550 0.000 0.000 0.332 60 Y C 0.089 176.024 175.900 0.059 0.000 1.177 60 Y CA -1.150 57.002 58.100 0.087 0.000 1.422 60 Y CB 0.436 38.933 38.460 0.063 0.000 1.271 60 Y HN 0.051 nan 8.280 nan 0.000 0.550 61 R N 4.767 124.804 120.500 -0.772 0.000 2.476 61 R HA 0.175 4.515 4.340 0.000 0.000 0.305 61 R C -1.532 174.248 176.300 -0.867 0.000 0.965 61 R CA -1.026 54.667 56.100 -0.679 0.000 0.867 61 R CB 1.215 31.364 30.300 -0.251 0.000 1.176 61 R HN 0.654 nan 8.270 nan 0.000 0.447 62 D N 3.082 123.056 120.400 -0.709 0.000 2.308 62 D HA 0.099 4.739 4.640 0.000 0.000 0.251 62 D C 0.402 176.639 176.300 -0.104 0.000 1.127 62 D CA -0.123 53.704 54.000 -0.289 0.000 0.876 62 D CB 1.203 41.955 40.800 -0.079 0.000 1.176 62 D HN 0.476 nan 8.370 nan 0.000 0.446 63 L N 3.865 125.081 121.223 -0.011 0.000 2.769 63 L HA 0.228 4.568 4.340 0.000 0.000 0.240 63 L C 0.855 177.745 176.870 0.034 0.000 1.163 63 L CA -0.245 54.602 54.840 0.013 0.000 0.962 63 L CB -0.064 42.018 42.059 0.038 0.000 1.258 63 L HN 0.400 nan 8.230 nan 0.000 0.513 64 R N 0.775 121.301 120.500 0.044 0.000 3.358 64 R HA -0.233 4.107 4.340 0.000 0.000 0.248 64 R C 0.098 176.430 176.300 0.052 0.000 0.981 64 R CA 0.728 56.857 56.100 0.049 0.000 0.662 64 R CB -1.796 28.523 30.300 0.032 0.000 1.037 64 R HN 0.318 nan 8.270 nan 0.000 0.460 65 K N 0.194 120.634 120.400 0.067 0.000 2.468 65 K HA 0.466 4.786 4.320 0.000 0.000 0.252 65 K C 0.038 176.691 176.600 0.088 0.000 0.932 65 K CA -0.173 56.155 56.287 0.068 0.000 0.794 65 K CB 1.928 34.465 32.500 0.063 0.000 1.241 65 K HN 0.155 nan 8.250 nan 0.000 0.428 66 G N 1.158 110.008 108.800 0.082 0.000 2.528 66 G HA2 0.538 4.498 3.960 0.000 0.000 0.289 66 G HA3 0.538 4.498 3.960 0.000 0.000 0.289 66 G C -1.265 173.704 174.900 0.115 0.000 1.192 66 G CA -0.513 44.648 45.100 0.102 0.000 0.921 66 G HN 0.456 nan 8.290 nan 0.000 0.512 67 V N 0.332 120.339 119.914 0.154 0.000 2.852 67 V HA 0.612 4.732 4.120 0.000 0.000 0.300 67 V C -2.072 174.099 176.094 0.129 0.000 1.205 67 V CA -1.018 61.366 62.300 0.140 0.000 0.940 67 V CB 1.638 33.567 31.823 0.177 0.000 1.047 67 V HN 0.853 nan 8.190 nan 0.000 0.429 68 Y N 5.915 126.123 120.300 -0.153 0.000 2.341 68 Y HA 0.807 5.357 4.550 0.000 0.000 0.338 68 Y C -1.116 174.459 175.900 -0.541 0.000 0.965 68 Y CA -0.673 57.247 58.100 -0.299 0.000 1.108 68 Y CB 2.033 40.386 38.460 -0.179 0.000 1.180 68 Y HN 0.516 nan 8.280 nan 0.000 0.458 69 V N 9.023 128.065 119.914 -1.453 0.000 2.447 69 V HA 0.417 4.537 4.120 0.000 0.000 0.292 69 V C -2.559 172.624 176.094 -1.519 0.000 1.021 69 V CA -1.551 59.812 62.300 -1.561 0.000 0.850 69 V CB 1.655 32.438 31.823 -1.733 0.000 1.005 69 V HN 0.660 nan 8.190 nan 0.000 0.426 70 P HA 0.571 nan 4.420 nan 0.000 0.301 70 P C -1.733 175.217 177.300 -0.584 0.000 1.337 70 P CA -0.531 62.136 63.100 -0.721 0.000 0.889 70 P CB 1.866 33.236 31.700 -0.551 0.000 1.050 71 Y N -0.528 119.688 120.300 -0.140 0.000 2.675 71 Y HA 0.305 4.855 4.550 0.000 0.000 0.328 71 Y C 2.358 178.255 175.900 -0.005 0.000 1.092 71 Y CA -0.432 57.649 58.100 -0.031 0.000 1.190 71 Y CB 0.077 38.575 38.460 0.064 0.000 1.350 71 Y HN 0.193 nan 8.280 nan 0.000 0.525 72 T N -0.125 114.541 114.554 0.186 0.000 2.699 72 T HA -0.221 4.129 4.350 0.000 0.000 0.268 72 T C 0.352 175.112 174.700 0.100 0.000 1.036 72 T CA 1.786 63.942 62.100 0.094 0.000 1.147 72 T CB -0.216 68.689 68.868 0.062 0.000 0.862 72 T HN 0.389 nan 8.240 nan 0.000 0.446 73 Q N -0.156 119.728 119.800 0.140 0.000 2.337 73 Q HA 0.511 4.852 4.340 0.000 0.000 0.260 73 Q C -0.521 175.581 176.000 0.170 0.000 0.982 73 Q CA 0.220 56.096 55.803 0.121 0.000 0.734 73 Q CB 1.133 29.917 28.738 0.078 0.000 1.272 73 Q HN 0.419 nan 8.270 nan 0.000 0.461 74 G N 2.651 111.571 108.800 0.201 0.000 2.484 74 G HA2 0.284 4.244 3.960 0.000 0.000 0.685 74 G HA3 0.284 4.244 3.960 0.000 0.000 0.685 74 G C -1.766 173.337 174.900 0.339 0.000 1.294 74 G CA -0.378 44.889 45.100 0.278 0.000 0.879 74 G HN 0.787 nan 8.290 nan 0.000 0.646 75 K N -0.560 120.017 120.400 0.295 0.000 2.587 75 K HA 0.753 5.073 4.320 0.000 0.000 0.276 75 K C -0.932 175.721 176.600 0.088 0.000 0.956 75 K CA -1.081 55.263 56.287 0.095 0.000 0.857 75 K CB 2.002 34.547 32.500 0.075 0.000 1.431 75 K HN 1.689 nan 8.250 nan 0.000 0.420 76 W N 0.563 121.813 121.300 -0.083 0.000 3.146 76 W HA 0.595 5.255 4.660 0.000 0.000 0.319 76 W C -1.757 174.769 176.519 0.012 0.000 1.258 76 W CA -0.603 56.673 57.345 -0.115 0.000 1.189 76 W CB 1.219 30.418 29.460 -0.435 0.000 1.412 76 W HN 0.802 nan 8.180 nan 0.000 0.567 77 E N 0.653 121.153 120.200 0.500 0.000 2.256 77 E HA 0.713 5.063 4.350 0.000 0.000 0.267 77 E C -0.297 176.598 176.600 0.491 0.000 0.892 77 E CA -0.439 56.218 56.400 0.428 0.000 0.775 77 E CB 2.410 32.262 29.700 0.253 0.000 1.207 77 E HN 0.807 nan 8.360 nan 0.000 0.420 78 G N 1.932 111.002 108.800 0.449 0.000 2.606 78 G HA2 0.367 4.327 3.960 0.000 0.000 0.300 78 G HA3 0.367 4.327 3.960 0.000 0.000 0.300 78 G C -1.407 173.626 174.900 0.223 0.000 1.360 78 G CA -0.745 44.532 45.100 0.294 0.000 0.783 78 G HN 0.482 nan 8.290 nan 0.000 0.484 79 E N 0.007 120.301 120.200 0.157 0.000 2.171 79 E HA 0.473 4.824 4.350 0.000 0.000 0.271 79 E C -0.479 176.218 176.600 0.162 0.000 0.916 79 E CA -0.554 55.933 56.400 0.145 0.000 0.774 79 E CB 2.567 32.338 29.700 0.118 0.000 1.128 79 E HN 0.266 nan 8.360 nan 0.000 0.403 80 L N 2.048 123.367 121.223 0.160 0.000 2.395 80 L HA 0.632 4.973 4.340 0.000 0.000 0.269 80 L C 0.709 177.684 176.870 0.176 0.000 1.133 80 L CA -0.007 54.929 54.840 0.160 0.000 0.812 80 L CB 0.871 43.010 42.059 0.133 0.000 1.125 80 L HN 0.729 nan 8.230 nan 0.000 0.452 81 G N 0.212 109.124 108.800 0.188 0.000 2.488 81 G HA2 0.552 4.512 3.960 0.000 0.000 0.301 81 G HA3 0.552 4.512 3.960 0.000 0.000 0.301 81 G C -1.317 173.680 174.900 0.162 0.000 1.339 81 G CA -0.109 45.097 45.100 0.176 0.000 0.803 81 G HN 0.600 nan 8.290 nan 0.000 0.482 82 T N -1.890 112.726 114.554 0.103 0.000 2.906 82 T HA 0.782 5.132 4.350 0.000 0.000 0.295 82 T C -1.529 173.271 174.700 0.166 0.000 1.061 82 T CA -0.630 61.545 62.100 0.126 0.000 1.000 82 T CB 2.960 71.869 68.868 0.068 0.000 1.103 82 T HN 0.665 nan 8.240 nan 0.000 0.486 83 D N 0.108 120.619 120.400 0.185 0.000 2.692 83 D HA 0.354 4.995 4.640 0.000 0.000 0.290 83 D C -0.913 175.479 176.300 0.153 0.000 1.281 83 D CA -0.644 53.476 54.000 0.199 0.000 0.804 83 D CB 1.933 42.907 40.800 0.291 0.000 1.331 83 D HN 0.677 nan 8.370 nan 0.000 0.432 84 L N 0.990 122.291 121.223 0.130 0.000 2.380 84 L HA 0.500 4.841 4.340 0.000 0.000 0.273 84 L C -0.081 176.861 176.870 0.120 0.000 1.138 84 L CA -0.521 54.382 54.840 0.105 0.000 0.832 84 L CB 1.141 43.246 42.059 0.077 0.000 1.124 84 L HN 0.082 nan 8.230 nan 0.000 0.454 85 V N 1.841 121.840 119.914 0.141 0.000 2.876 85 V HA 0.622 4.742 4.120 0.000 0.000 0.312 85 V C -0.343 175.828 176.094 0.128 0.000 1.085 85 V CA -0.451 61.949 62.300 0.167 0.000 0.945 85 V CB 2.264 34.273 31.823 0.310 0.000 1.017 85 V HN 0.846 nan 8.190 nan 0.000 0.428 86 S N 2.618 118.371 115.700 0.087 0.000 2.579 86 S HA 0.692 5.162 4.470 0.000 0.000 0.272 86 S C -0.999 173.616 174.600 0.026 0.000 1.141 86 S CA -0.512 57.722 58.200 0.057 0.000 0.843 86 S CB 1.893 65.110 63.200 0.028 0.000 1.122 86 S HN 0.555 nan 8.310 nan 0.000 0.468 87 I N 2.920 123.503 120.570 0.023 0.000 2.460 87 I HA 0.273 4.443 4.170 0.000 0.000 0.277 87 I C -1.975 174.125 176.117 -0.027 0.000 1.057 87 I CA -2.201 59.100 61.300 0.001 0.000 1.179 87 I CB 1.543 39.558 38.000 0.025 0.000 1.329 87 I HN 0.395 nan 8.210 nan 0.000 0.478 88 P HA -0.219 nan 4.420 nan 0.000 0.219 88 P C 0.441 177.534 177.300 -0.345 0.000 1.158 88 P CA 1.660 64.614 63.100 -0.244 0.000 0.895 88 P CB 0.018 31.525 31.700 -0.321 0.000 0.792 89 H N -1.134 117.959 119.070 0.038 0.000 2.423 89 H HA 0.585 5.141 4.556 0.000 0.000 0.227 89 H C 0.924 176.284 175.328 0.052 0.000 1.596 89 H CA 0.084 56.157 56.048 0.043 0.000 1.207 89 H CB -0.074 29.711 29.762 0.038 0.000 1.595 89 H HN 0.127 nan 8.280 nan 0.000 0.534 90 G N 0.879 109.750 108.800 0.120 0.000 2.731 90 G HA2 0.244 4.204 3.960 0.000 0.000 0.309 90 G HA3 0.244 4.204 3.960 0.000 0.000 0.309 90 G C -2.767 172.197 174.900 0.107 0.000 1.273 90 G CA -1.121 44.051 45.100 0.119 0.000 0.798 90 G HN -0.036 nan 8.290 nan 0.000 0.509 91 P HA 0.048 nan 4.420 nan 0.000 0.266 91 P C -0.651 176.681 177.300 0.053 0.000 1.193 91 P CA 0.077 63.232 63.100 0.092 0.000 0.770 91 P CB 0.642 32.390 31.700 0.080 0.000 0.836 92 N N 2.066 120.790 118.700 0.041 0.000 2.968 92 N HA 0.270 5.010 4.740 0.000 0.000 0.271 92 N C -0.516 174.996 175.510 0.003 0.000 1.174 92 N CA -0.296 52.765 53.050 0.018 0.000 1.096 92 N CB -0.707 37.789 38.487 0.015 0.000 1.403 92 N HN 0.251 nan 8.380 nan 0.000 0.522 93 V N -1.341 118.573 119.914 0.001 0.000 3.206 93 V HA 0.737 4.857 4.120 0.000 0.000 0.305 93 V C -0.366 175.723 176.094 -0.008 0.000 1.257 93 V CA -0.792 61.498 62.300 -0.018 0.000 1.057 93 V CB 1.874 33.674 31.823 -0.039 0.000 1.075 93 V HN 0.142 nan 8.190 nan 0.000 0.443 94 T N 1.813 116.357 114.554 -0.017 0.000 2.921 94 T HA 0.769 5.119 4.350 0.000 0.000 0.297 94 T C -0.633 174.057 174.700 -0.017 0.000 1.013 94 T CA -0.231 61.870 62.100 0.001 0.000 0.990 94 T CB 1.425 70.297 68.868 0.007 0.000 1.023 94 T HN 1.715 nan 8.240 nan 0.000 0.447 95 V N 1.213 121.125 119.914 -0.004 0.000 2.962 95 V HA 0.758 4.878 4.120 0.000 0.000 0.313 95 V C -0.534 175.571 176.094 0.018 0.000 1.099 95 V CA -1.496 60.783 62.300 -0.037 0.000 0.971 95 V CB 2.075 33.813 31.823 -0.141 0.000 1.028 95 V HN 0.848 nan 8.190 nan 0.000 0.430 96 R N 2.012 122.517 120.500 0.009 0.000 2.254 96 R HA 0.814 5.154 4.340 0.000 0.000 0.318 96 R C -0.298 176.037 176.300 0.059 0.000 1.031 96 R CA 0.358 56.489 56.100 0.051 0.000 0.905 96 R CB 1.072 31.393 30.300 0.035 0.000 1.050 96 R HN 1.287 nan 8.270 nan 0.000 0.456 97 A N 3.893 126.798 122.820 0.143 0.000 2.479 97 A HA 0.448 4.768 4.320 0.000 0.000 0.296 97 A C -1.119 176.610 177.584 0.242 0.000 1.121 97 A CA -1.070 51.082 52.037 0.192 0.000 0.743 97 A CB 1.364 20.562 19.000 0.331 0.000 1.323 97 A HN 0.783 nan 8.150 nan 0.000 0.415 98 N N 0.338 119.186 118.700 0.246 0.000 2.520 98 N HA 0.438 5.178 4.740 0.000 0.000 0.273 98 N C -0.963 174.704 175.510 0.263 0.000 1.155 98 N CA 0.544 53.725 53.050 0.219 0.000 0.967 98 N CB 0.797 39.396 38.487 0.187 0.000 1.092 98 N HN 0.508 nan 8.380 nan 0.000 0.457 99 I N 0.799 121.456 120.570 0.145 0.000 2.569 99 I HA 0.333 4.503 4.170 0.000 0.000 0.290 99 I C -0.422 175.702 176.117 0.012 0.000 1.088 99 I CA -1.003 60.268 61.300 -0.048 0.000 1.047 99 I CB 2.003 39.904 38.000 -0.166 0.000 1.237 99 I HN 0.369 nan 8.210 nan 0.000 0.421 100 A N 4.854 127.631 122.820 -0.072 0.000 2.252 100 A HA 0.783 5.103 4.320 0.000 0.000 0.309 100 A C 0.123 177.628 177.584 -0.132 0.000 1.285 100 A CA -0.472 51.558 52.037 -0.011 0.000 0.900 100 A CB 0.729 19.775 19.000 0.077 0.000 1.157 100 A HN 0.801 nan 8.150 nan 0.000 0.536 101 A N 4.043 126.868 122.820 0.008 0.000 2.415 101 A HA 0.520 4.840 4.320 0.000 0.000 0.309 101 A C 0.136 177.698 177.584 -0.036 0.000 1.356 101 A CA -0.345 51.705 52.037 0.021 0.000 0.998 101 A CB -0.585 18.454 19.000 0.066 0.000 1.145 101 A HN 0.774 nan 8.150 nan 0.000 0.545 102 I N 3.500 123.979 120.570 -0.152 0.000 2.671 102 I HA -0.029 4.142 4.170 0.000 0.000 0.285 102 I C 1.633 177.777 176.117 0.045 0.000 1.148 102 I CA 0.538 61.763 61.300 -0.125 0.000 1.386 102 I CB 0.543 38.373 38.000 -0.284 0.000 1.406 102 I HN 0.817 nan 8.210 nan 0.000 0.540 103 T N 1.243 115.853 114.554 0.094 0.000 3.014 103 T HA 0.265 4.616 4.350 0.000 0.000 0.250 103 T C 0.526 175.296 174.700 0.117 0.000 1.060 103 T CA -0.011 62.141 62.100 0.086 0.000 1.040 103 T CB 0.301 69.214 68.868 0.074 0.000 0.971 103 T HN 0.572 nan 8.240 nan 0.000 0.497 104 E N 0.712 121.014 120.200 0.169 0.000 2.343 104 E HA 0.566 4.916 4.350 0.000 0.000 0.278 104 E C -1.474 175.268 176.600 0.236 0.000 0.910 104 E CA -0.740 55.770 56.400 0.182 0.000 0.757 104 E CB 2.460 32.248 29.700 0.147 0.000 1.218 104 E HN 0.403 nan 8.360 nan 0.000 0.435 105 S N 1.490 117.333 115.700 0.238 0.000 2.565 105 S HA 0.625 5.095 4.470 0.000 0.000 0.269 105 S C -1.698 173.041 174.600 0.232 0.000 1.153 105 S CA -0.992 57.350 58.200 0.237 0.000 0.835 105 S CB 2.266 65.564 63.200 0.164 0.000 1.122 105 S HN 0.420 nan 8.310 nan 0.000 0.462 106 D N 0.495 121.030 120.400 0.226 0.000 2.736 106 D HA 0.404 5.044 4.640 0.000 0.000 0.243 106 D C -0.628 175.804 176.300 0.220 0.000 1.304 106 D CA -0.271 53.850 54.000 0.203 0.000 0.934 106 D CB 0.793 41.690 40.800 0.161 0.000 1.382 106 D HN 0.573 nan 8.370 nan 0.000 0.571 107 K N 2.406 122.937 120.400 0.219 0.000 3.088 107 K HA -0.238 4.083 4.320 0.000 0.000 0.273 107 K C 0.480 177.200 176.600 0.201 0.000 1.111 107 K CA 0.624 57.032 56.287 0.202 0.000 0.803 107 K CB -2.189 30.407 32.500 0.160 0.000 1.226 107 K HN 0.526 nan 8.250 nan 0.000 0.485 108 F N 0.259 120.219 119.950 0.017 0.000 2.202 108 F HA 0.221 4.749 4.527 0.000 0.000 0.279 108 F C 0.902 176.616 175.800 -0.143 0.000 1.077 108 F CA 0.120 58.051 58.000 -0.115 0.000 1.193 108 F CB 0.077 38.901 39.000 -0.293 0.000 1.090 108 F HN -0.080 nan 8.300 nan 0.000 0.516 109 F N 1.979 121.898 119.950 -0.053 0.000 2.506 109 F HA 0.257 4.784 4.527 0.000 0.000 0.351 109 F C 0.179 175.850 175.800 -0.215 0.000 1.136 109 F CA -0.225 57.547 58.000 -0.379 0.000 1.298 109 F CB -0.056 38.736 39.000 -0.347 0.000 1.145 109 F HN -0.207 nan 8.300 nan 0.000 0.593 110 I N 2.443 122.796 120.570 -0.361 0.000 2.389 110 I HA 0.158 4.328 4.170 0.000 0.000 0.288 110 I C -0.280 175.488 176.117 -0.582 0.000 0.999 110 I CA -1.023 60.052 61.300 -0.375 0.000 1.129 110 I CB 1.550 39.365 38.000 -0.309 0.000 1.288 110 I HN 0.476 nan 8.210 nan 0.000 0.444 111 N N 4.461 122.553 118.700 -1.014 0.000 2.411 111 N HA 0.133 4.874 4.740 0.000 0.000 0.265 111 N C 0.997 176.196 175.510 -0.517 0.000 1.266 111 N CA 1.782 54.199 53.050 -1.055 0.000 0.889 111 N CB 0.583 38.178 38.487 -1.486 0.000 1.069 111 N HN 0.877 nan 8.380 nan 0.000 0.476 112 G N 1.631 110.211 108.800 -0.366 0.000 2.179 112 G HA2 -0.339 3.622 3.960 0.000 0.000 0.260 112 G HA3 -0.339 3.622 3.960 0.000 0.000 0.260 112 G C 1.068 175.837 174.900 -0.217 0.000 0.977 112 G CA 0.881 45.836 45.100 -0.242 0.000 0.641 112 G HN 0.900 nan 8.290 nan 0.000 0.533 113 S N -0.147 115.355 115.700 -0.330 0.000 2.428 113 S HA -0.030 4.440 4.470 0.000 0.000 0.230 113 S C 1.427 175.878 174.600 -0.247 0.000 1.014 113 S CA 1.566 59.590 58.200 -0.293 0.000 0.957 113 S CB -0.339 62.447 63.200 -0.690 0.000 0.784 113 S HN 1.531 nan 8.310 nan 0.000 0.499 114 N N 0.133 118.614 118.700 -0.366 0.000 2.948 114 N HA -0.126 4.614 4.740 0.000 0.000 0.239 114 N C -0.544 174.654 175.510 -0.519 0.000 0.954 114 N CA 1.019 53.857 53.050 -0.353 0.000 0.941 114 N CB -1.347 37.001 38.487 -0.232 0.000 1.101 114 N HN 0.860 nan 8.380 nan 0.000 0.579 115 W N 0.364 121.379 121.300 -0.475 0.000 2.627 115 W HA 0.631 5.291 4.660 0.000 0.000 0.339 115 W C -0.107 176.326 176.519 -0.142 0.000 1.058 115 W CA -0.530 56.579 57.345 -0.393 0.000 1.223 115 W CB 0.457 29.735 29.460 -0.303 0.000 1.389 115 W HN -0.094 nan 8.180 nan 0.000 0.541 116 E N 1.542 121.881 120.200 0.232 0.000 2.630 116 E HA 0.344 4.695 4.350 0.000 0.000 0.218 116 E C 0.568 177.417 176.600 0.416 0.000 0.977 116 E CA -0.045 56.443 56.400 0.146 0.000 1.038 116 E CB 1.368 31.060 29.700 -0.013 0.000 1.051 116 E HN 0.621 nan 8.360 nan 0.000 0.487 117 G N 0.081 109.209 108.800 0.548 0.000 2.687 117 G HA2 0.697 4.657 3.960 0.000 0.000 0.291 117 G HA3 0.697 4.657 3.960 0.000 0.000 0.291 117 G C -1.676 173.413 174.900 0.315 0.000 1.420 117 G CA -0.701 44.641 45.100 0.402 0.000 0.796 117 G HN 0.078 nan 8.290 nan 0.000 0.485 118 I N -0.561 120.145 120.570 0.227 0.000 2.686 118 I HA 0.636 4.806 4.170 0.000 0.000 0.295 118 I C -1.689 174.561 176.117 0.222 0.000 1.114 118 I CA -1.176 60.198 61.300 0.124 0.000 1.038 118 I CB 2.252 40.398 38.000 0.243 0.000 1.238 118 I HN 0.423 nan 8.210 nan 0.000 0.420 119 L N 7.520 128.779 121.223 0.060 0.000 2.335 119 L HA 0.599 4.939 4.340 0.000 0.000 0.268 119 L C 0.088 176.942 176.870 -0.027 0.000 1.037 119 L CA -0.081 54.744 54.840 -0.025 0.000 0.895 119 L CB 0.897 42.783 42.059 -0.287 0.000 1.266 119 L HN 0.646 nan 8.230 nan 0.000 0.439 120 G N 4.700 113.559 108.800 0.098 0.000 2.367 120 G HA2 0.292 4.253 3.960 0.000 0.000 0.280 120 G HA3 0.292 4.253 3.960 0.000 0.000 0.280 120 G C 0.541 175.450 174.900 0.014 0.000 1.175 120 G CA -0.319 44.831 45.100 0.085 0.000 1.001 120 G HN 0.710 nan 8.290 nan 0.000 0.437 121 L N 2.028 123.215 121.223 -0.061 0.000 2.592 121 L HA 0.234 4.574 4.340 0.000 0.000 0.227 121 L C 1.950 178.802 176.870 -0.029 0.000 1.127 121 L CA -0.149 54.617 54.840 -0.124 0.000 0.884 121 L CB -0.161 41.636 42.059 -0.437 0.000 1.065 121 L HN 0.594 nan 8.230 nan 0.000 0.457 122 A N -0.874 121.901 122.820 -0.076 0.000 2.296 122 A HA 0.375 4.695 4.320 0.000 0.000 0.276 122 A C -0.597 176.715 177.584 -0.455 0.000 1.356 122 A CA -0.090 51.706 52.037 -0.402 0.000 0.825 122 A CB -0.002 18.838 19.000 -0.266 0.000 1.308 122 A HN 0.093 nan 8.150 nan 0.000 0.515 123 Y N -1.921 118.284 120.300 -0.159 0.000 2.374 123 Y HA 0.451 5.001 4.550 0.000 0.000 0.322 123 Y C 1.633 177.521 175.900 -0.020 0.000 1.275 123 Y CA 0.106 58.175 58.100 -0.051 0.000 1.307 123 Y CB 0.837 39.274 38.460 -0.038 0.000 1.282 123 Y HN 0.654 nan 8.280 nan 0.000 0.509 124 A N 0.747 123.686 122.820 0.199 0.000 1.948 124 A HA -0.283 4.037 4.320 0.000 0.000 0.220 124 A C 2.013 179.648 177.584 0.084 0.000 1.177 124 A CA 2.043 54.149 52.037 0.115 0.000 0.636 124 A CB -0.777 18.287 19.000 0.107 0.000 0.815 124 A HN 0.907 nan 8.150 nan 0.000 0.449 125 E N 0.634 120.901 120.200 0.111 0.000 2.169 125 E HA -0.227 4.123 4.350 0.000 0.000 0.202 125 E C 1.364 178.004 176.600 0.067 0.000 1.016 125 E CA 1.944 58.400 56.400 0.094 0.000 0.817 125 E CB -0.472 29.318 29.700 0.150 0.000 0.736 125 E HN 0.841 nan 8.360 nan 0.000 0.462 126 I N -2.833 117.741 120.570 0.006 0.000 3.877 126 I HA 0.534 4.704 4.170 0.000 0.000 0.332 126 I C 0.293 176.346 176.117 -0.106 0.000 1.525 126 I CA -0.486 60.752 61.300 -0.103 0.000 1.146 126 I CB 0.380 38.151 38.000 -0.383 0.000 1.137 126 I HN 0.043 nan 8.210 nan 0.000 0.424 127 A N 1.684 124.482 122.820 -0.037 0.000 2.316 127 A HA 0.738 5.058 4.320 0.000 0.000 0.284 127 A C -0.012 177.553 177.584 -0.032 0.000 1.115 127 A CA -0.527 51.498 52.037 -0.020 0.000 0.812 127 A CB 0.609 19.631 19.000 0.035 0.000 1.064 127 A HN 0.341 nan 8.150 nan 0.000 0.489 128 R N 1.511 121.982 120.500 -0.048 0.000 2.604 128 R HA 0.399 4.739 4.340 0.000 0.000 0.287 128 R C -2.273 174.031 176.300 0.007 0.000 0.970 128 R CA -2.391 53.674 56.100 -0.059 0.000 0.946 128 R CB 0.540 30.739 30.300 -0.168 0.000 1.127 128 R HN 0.404 nan 8.270 nan 0.000 0.473 129 P HA -0.071 nan 4.420 nan 0.000 0.221 129 P C -0.674 176.630 177.300 0.006 0.000 1.150 129 P CA 1.112 64.218 63.100 0.010 0.000 0.800 129 P CB 0.372 32.090 31.700 0.031 0.000 0.787 130 D N -3.707 116.703 120.400 0.017 0.000 2.692 130 D HA 0.082 4.722 4.640 0.000 0.000 0.303 130 D C -0.265 176.051 176.300 0.027 0.000 1.278 130 D CA -0.705 53.306 54.000 0.018 0.000 0.852 130 D CB -0.359 40.453 40.800 0.020 0.000 1.375 130 D HN -0.252 nan 8.370 nan 0.000 0.453 131 D N -0.746 119.671 120.400 0.028 0.000 2.403 131 D HA -0.147 4.493 4.640 0.000 0.000 0.227 131 D C 1.389 177.714 176.300 0.042 0.000 0.995 131 D CA 1.151 55.175 54.000 0.038 0.000 0.928 131 D CB -0.424 40.397 40.800 0.035 0.000 0.887 131 D HN 0.296 nan 8.370 nan 0.000 0.529 132 S N -0.511 115.211 115.700 0.038 0.000 2.461 132 S HA -0.065 4.405 4.470 0.000 0.000 0.228 132 S C 0.942 175.571 174.600 0.049 0.000 1.005 132 S CA -0.418 57.805 58.200 0.039 0.000 0.942 132 S CB -0.519 62.700 63.200 0.033 0.000 0.776 132 S HN 0.231 nan 8.310 nan 0.000 0.514 133 L N 3.512 124.770 121.223 0.058 0.000 2.462 133 L HA 0.334 4.674 4.340 0.000 0.000 0.283 133 L C 0.271 177.192 176.870 0.086 0.000 1.166 133 L CA -0.182 54.703 54.840 0.075 0.000 0.964 133 L CB -0.366 41.744 42.059 0.086 0.000 1.294 133 L HN 0.337 nan 8.230 nan 0.000 0.449 134 E N 6.231 126.479 120.200 0.080 0.000 2.585 134 E HA 0.026 4.377 4.350 0.000 0.000 0.252 134 E C -2.125 174.539 176.600 0.107 0.000 0.981 134 E CA -1.229 55.219 56.400 0.081 0.000 0.943 134 E CB 0.529 30.263 29.700 0.056 0.000 0.923 134 E HN 0.421 nan 8.360 nan 0.000 0.486 135 P HA -0.035 nan 4.420 nan 0.000 0.272 135 P C -0.081 177.308 177.300 0.148 0.000 1.230 135 P CA -0.191 63.001 63.100 0.153 0.000 0.788 135 P CB 0.373 32.152 31.700 0.133 0.000 0.949 136 F N 2.033 122.014 119.950 0.051 0.000 2.065 136 F HA -0.250 4.277 4.527 0.000 0.000 0.298 136 F C 2.006 177.792 175.800 -0.024 0.000 1.112 136 F CA 1.586 59.566 58.000 -0.033 0.000 1.212 136 F CB -0.783 38.084 39.000 -0.221 0.000 0.975 136 F HN 0.206 nan 8.300 nan 0.000 0.476 137 F N 1.545 121.445 119.950 -0.083 0.000 2.126 137 F HA -0.221 4.307 4.527 0.000 0.000 0.299 137 F C 2.049 177.749 175.800 -0.165 0.000 1.096 137 F CA 2.326 60.234 58.000 -0.154 0.000 1.255 137 F CB -0.838 38.160 39.000 -0.004 0.000 0.997 137 F HN 0.067 nan 8.300 nan 0.000 0.479 138 D N -0.955 119.475 120.400 0.050 0.000 2.104 138 D HA -0.193 4.447 4.640 0.000 0.000 0.194 138 D C 2.400 178.620 176.300 -0.134 0.000 0.994 138 D CA 1.842 55.849 54.000 0.012 0.000 0.830 138 D CB -0.363 40.486 40.800 0.082 0.000 0.959 138 D HN 0.153 nan 8.370 nan 0.000 0.452 139 S N 0.111 115.692 115.700 -0.198 0.000 2.370 139 S HA -0.148 4.322 4.470 0.000 0.000 0.226 139 S C 1.769 176.156 174.600 -0.355 0.000 1.033 139 S CA 0.469 58.527 58.200 -0.237 0.000 1.011 139 S CB -0.306 62.749 63.200 -0.240 0.000 0.852 139 S HN 0.181 nan 8.310 nan 0.000 0.457 140 L N 1.795 122.657 121.223 -0.602 0.000 1.994 140 L HA -0.041 4.299 4.340 0.000 0.000 0.208 140 L C 2.212 178.829 176.870 -0.421 0.000 1.071 140 L CA 1.705 56.172 54.840 -0.622 0.000 0.745 140 L CB -0.770 40.743 42.059 -0.909 0.000 0.892 140 L HN 0.139 nan 8.230 nan 0.000 0.431 141 V N 0.236 119.890 119.914 -0.433 0.000 2.427 141 V HA -0.234 3.886 4.120 0.000 0.000 0.248 141 V C 2.678 178.703 176.094 -0.115 0.000 1.051 141 V CA 1.915 64.068 62.300 -0.245 0.000 1.048 141 V CB -0.830 30.894 31.823 -0.166 0.000 0.666 141 V HN 0.520 nan 8.190 nan 0.000 0.456 142 K N 0.175 120.508 120.400 -0.112 0.000 2.217 142 K HA -0.133 4.187 4.320 0.000 0.000 0.202 142 K C 1.794 178.361 176.600 -0.055 0.000 1.051 142 K CA 1.468 57.721 56.287 -0.057 0.000 0.952 142 K CB 0.029 32.500 32.500 -0.047 0.000 0.736 142 K HN 0.528 nan 8.250 nan 0.000 0.453 143 Q N 0.377 120.118 119.800 -0.099 0.000 2.282 143 Q HA 0.038 4.378 4.340 0.000 0.000 0.206 143 Q C 0.244 176.187 176.000 -0.095 0.000 0.878 143 Q CA 0.212 55.961 55.803 -0.089 0.000 0.944 143 Q CB 1.164 29.837 28.738 -0.108 0.000 1.100 143 Q HN 0.365 nan 8.270 nan 0.000 0.509 144 T N -4.521 109.982 114.554 -0.086 0.000 2.716 144 T HA 0.279 4.629 4.350 0.000 0.000 0.286 144 T C -0.041 174.700 174.700 0.068 0.000 1.052 144 T CA -0.759 61.291 62.100 -0.084 0.000 1.024 144 T CB 0.888 69.694 68.868 -0.104 0.000 1.349 144 T HN 0.125 nan 8.240 nan 0.000 0.525 145 H N -0.916 118.132 119.070 -0.036 0.000 2.505 145 H HA 0.434 4.990 4.556 0.000 0.000 0.289 145 H C -0.033 175.293 175.328 -0.003 0.000 1.052 145 H CA -0.541 55.498 56.048 -0.015 0.000 1.156 145 H CB 0.435 30.196 29.762 -0.002 0.000 1.507 145 H HN 0.184 nan 8.280 nan 0.000 0.548 146 V N 3.498 123.461 119.914 0.082 0.000 2.479 146 V HA 0.039 4.159 4.120 0.000 0.000 0.281 146 V C -1.802 174.322 176.094 0.051 0.000 1.031 146 V CA -1.524 60.808 62.300 0.053 0.000 1.038 146 V CB 0.634 32.438 31.823 -0.032 0.000 0.981 146 V HN 0.191 nan 8.190 nan 0.000 0.478 147 P HA -0.036 nan 4.420 nan 0.000 0.266 147 P C -0.050 177.354 177.300 0.173 0.000 1.186 147 P CA 0.022 63.194 63.100 0.120 0.000 0.767 147 P CB 0.269 32.051 31.700 0.136 0.000 0.820 148 N N 3.492 122.305 118.700 0.188 0.000 2.819 148 N HA 0.236 4.977 4.740 0.000 0.000 0.284 148 N C -0.690 175.042 175.510 0.370 0.000 1.196 148 N CA 0.093 53.339 53.050 0.327 0.000 1.114 148 N CB -1.189 37.442 38.487 0.240 0.000 1.437 148 N HN 0.371 nan 8.380 nan 0.000 0.518 149 L N -0.674 120.844 121.223 0.491 0.000 2.992 149 L HA 0.589 4.930 4.340 0.000 0.000 0.252 149 L C -1.918 175.123 176.870 0.285 0.000 0.983 149 L CA -1.152 53.818 54.840 0.216 0.000 1.005 149 L CB 0.739 42.830 42.059 0.052 0.000 1.506 149 L HN 0.052 nan 8.230 nan 0.000 0.414 150 F N -0.053 119.856 119.950 -0.068 0.000 2.686 150 F HA 0.938 5.465 4.527 0.000 0.000 0.311 150 F C -0.887 174.849 175.800 -0.107 0.000 1.128 150 F CA -0.218 57.724 58.000 -0.096 0.000 0.946 150 F CB 1.493 40.377 39.000 -0.193 0.000 1.336 150 F HN 0.732 nan 8.300 nan 0.000 0.457 151 S N 1.517 117.238 115.700 0.035 0.000 2.548 151 S HA 0.874 5.345 4.470 0.000 0.000 0.286 151 S C -1.547 173.085 174.600 0.053 0.000 1.098 151 S CA -0.820 57.288 58.200 -0.153 0.000 0.930 151 S CB 1.924 64.868 63.200 -0.427 0.000 1.070 151 S HN 0.858 nan 8.310 nan 0.000 0.480 152 L N 1.767 122.992 121.223 0.005 0.000 2.385 152 L HA 0.574 4.914 4.340 0.000 0.000 0.273 152 L C -0.453 176.493 176.870 0.127 0.000 0.990 152 L CA -0.406 54.488 54.840 0.089 0.000 0.821 152 L CB 2.116 44.234 42.059 0.098 0.000 1.279 152 L HN 0.798 nan 8.230 nan 0.000 0.412 153 Q N 4.844 124.723 119.800 0.132 0.000 2.454 153 Q HA 0.457 4.797 4.340 0.000 0.000 0.255 153 Q C -1.651 174.289 176.000 -0.101 0.000 1.034 153 Q CA -0.524 55.344 55.803 0.109 0.000 0.736 153 Q CB 1.135 29.939 28.738 0.109 0.000 1.210 153 Q HN 0.623 nan 8.270 nan 0.000 0.500 154 L N 3.071 124.169 121.223 -0.209 0.000 2.265 154 L HA 0.451 4.791 4.340 0.000 0.000 0.288 154 L C -0.531 176.155 176.870 -0.307 0.000 1.058 154 L CA -0.783 53.734 54.840 -0.538 0.000 0.809 154 L CB 1.086 42.706 42.059 -0.732 0.000 1.179 154 L HN 0.626 nan 8.230 nan 0.000 0.429 155 c N 3.176 121.637 118.600 -0.233 0.000 2.251 155 c HA 0.515 5.085 4.570 0.000 0.000 0.323 155 c C 1.046 175.161 174.090 0.042 0.000 1.241 155 c CA -0.915 55.379 56.329 -0.058 0.000 1.601 155 c CB 0.219 42.704 42.510 -0.041 0.000 2.251 155 c HN 0.927 nan 8.230 nan 0.000 0.488 156 G N 1.938 110.750 108.800 0.020 0.000 2.390 156 G HA2 0.458 4.418 3.960 0.000 0.000 0.270 156 G HA3 0.458 4.418 3.960 0.000 0.000 0.270 156 G C 0.805 175.632 174.900 -0.120 0.000 1.211 156 G CA 0.245 45.351 45.100 0.010 0.000 0.842 156 G HN 0.986 nan 8.290 nan 0.000 0.519 157 A N 1.436 124.103 122.820 -0.254 0.000 1.969 157 A HA 0.371 4.691 4.320 0.000 0.000 0.218 157 A C 2.218 179.402 177.584 -0.667 0.000 1.169 157 A CA 1.843 53.527 52.037 -0.589 0.000 0.635 157 A CB -0.534 17.889 19.000 -0.961 0.000 0.810 157 A HN 2.294 nan 8.150 nan 0.000 0.445 158 G N -2.656 105.921 108.800 -0.371 0.000 2.175 158 G HA2 -0.176 3.784 3.960 0.000 0.000 0.244 158 G HA3 -0.176 3.784 3.960 0.000 0.000 0.244 158 G C 0.114 175.077 174.900 0.106 0.000 0.982 158 G CA 0.430 45.476 45.100 -0.090 0.000 0.641 158 G HN 1.534 nan 8.290 nan 0.000 0.527 159 F N -2.068 117.927 119.950 0.075 0.000 2.686 159 F HA 0.793 5.320 4.527 0.000 0.000 0.311 159 F C -2.910 172.894 175.800 0.006 0.000 1.128 159 F CA -3.081 54.943 58.000 0.041 0.000 0.946 159 F CB 0.079 39.102 39.000 0.038 0.000 1.336 159 F HN -0.034 nan 8.300 nan 0.000 0.457 160 P HA 0.365 nan 4.420 nan 0.000 0.269 160 P C -1.120 176.290 177.300 0.183 0.000 1.215 160 P CA -0.045 63.123 63.100 0.113 0.000 0.780 160 P CB 0.599 32.337 31.700 0.062 0.000 0.898 161 L N 2.534 123.802 121.223 0.075 0.000 2.406 161 L HA 0.377 4.717 4.340 0.000 0.000 0.272 161 L C 0.554 177.449 176.870 0.042 0.000 0.980 161 L CA -0.961 53.927 54.840 0.080 0.000 0.831 161 L CB 1.510 43.582 42.059 0.022 0.000 1.253 161 L HN 0.453 nan 8.230 nan 0.000 0.406 162 N N 2.228 120.956 118.700 0.046 0.000 2.424 162 N HA -0.016 4.724 4.740 0.000 0.000 0.257 162 N C 0.607 176.125 175.510 0.013 0.000 1.250 162 N CA -0.396 52.666 53.050 0.020 0.000 0.946 162 N CB 1.328 39.825 38.487 0.017 0.000 1.175 162 N HN 0.616 nan 8.380 nan 0.000 0.477 163 Q N 1.165 120.964 119.800 -0.003 0.000 2.118 163 Q HA -0.250 4.090 4.340 0.000 0.000 0.211 163 Q C 1.987 177.994 176.000 0.011 0.000 0.998 163 Q CA 2.573 58.372 55.803 -0.006 0.000 0.872 163 Q CB -0.848 27.876 28.738 -0.024 0.000 0.925 163 Q HN 0.764 nan 8.270 nan 0.000 0.414 164 S N -0.185 115.523 115.700 0.013 0.000 2.359 164 S HA -0.252 4.218 4.470 0.000 0.000 0.222 164 S C 1.739 176.359 174.600 0.034 0.000 1.038 164 S CA 1.853 60.066 58.200 0.022 0.000 1.051 164 S CB -0.531 62.680 63.200 0.018 0.000 0.944 164 S HN 0.713 nan 8.310 nan 0.000 0.433 165 E N 0.363 120.587 120.200 0.039 0.000 2.150 165 E HA -0.076 4.274 4.350 0.000 0.000 0.193 165 E C 2.062 178.691 176.600 0.048 0.000 0.985 165 E CA 1.433 57.864 56.400 0.051 0.000 0.814 165 E CB -0.573 29.171 29.700 0.074 0.000 0.752 165 E HN 0.504 nan 8.360 nan 0.000 0.466 166 V N 1.810 121.748 119.914 0.040 0.000 2.490 166 V HA -0.235 3.885 4.120 0.000 0.000 0.250 166 V C 2.434 178.565 176.094 0.062 0.000 1.061 166 V CA 1.428 63.749 62.300 0.035 0.000 1.064 166 V CB -0.561 31.279 31.823 0.028 0.000 0.670 166 V HN 0.252 nan 8.190 nan 0.000 0.461 167 L N -0.041 121.225 121.223 0.072 0.000 2.179 167 L HA 0.003 4.344 4.340 0.000 0.000 0.208 167 L C 2.496 179.412 176.870 0.076 0.000 1.096 167 L CA 1.324 56.223 54.840 0.098 0.000 0.779 167 L CB -0.523 41.585 42.059 0.081 0.000 0.922 167 L HN 0.348 nan 8.230 nan 0.000 0.443 168 A N -1.570 121.283 122.820 0.055 0.000 2.147 168 A HA 0.052 4.372 4.320 0.000 0.000 0.211 168 A C 1.329 178.933 177.584 0.034 0.000 1.160 168 A CA 0.200 52.263 52.037 0.043 0.000 0.781 168 A CB -0.009 19.015 19.000 0.039 0.000 0.842 168 A HN 0.261 nan 8.150 nan 0.000 0.475 169 S N -0.376 115.344 115.700 0.033 0.000 2.616 169 S HA 0.476 4.946 4.470 0.000 0.000 0.277 169 S C -0.254 174.348 174.600 0.003 0.000 1.234 169 S CA -0.448 57.765 58.200 0.023 0.000 1.028 169 S CB 1.061 64.279 63.200 0.030 0.000 0.988 169 S HN 0.183 nan 8.310 nan 0.000 0.522 170 V N 4.544 124.456 119.914 -0.003 0.000 2.427 170 V HA 0.334 4.454 4.120 0.000 0.000 0.268 170 V C 1.485 177.577 176.094 -0.002 0.000 1.046 170 V CA 0.403 62.692 62.300 -0.018 0.000 0.970 170 V CB 0.737 32.546 31.823 -0.024 0.000 1.001 170 V HN 1.113 nan 8.190 nan 0.000 0.476 171 G N 3.042 111.846 108.800 0.007 0.000 2.777 171 G HA2 0.531 4.491 3.960 0.000 0.000 0.211 171 G HA3 0.531 4.491 3.960 0.000 0.000 0.211 171 G C 0.574 175.509 174.900 0.057 0.000 1.149 171 G CA 0.641 45.810 45.100 0.116 0.000 0.785 171 G HN 1.235 nan 8.290 nan 0.000 0.536 172 G N -1.282 107.504 108.800 -0.025 0.000 2.350 172 G HA2 0.395 4.355 3.960 0.000 0.000 0.282 172 G HA3 0.395 4.355 3.960 0.000 0.000 0.282 172 G C -1.341 173.524 174.900 -0.058 0.000 1.314 172 G CA -0.098 44.957 45.100 -0.075 0.000 0.915 172 G HN 0.629 nan 8.290 nan 0.000 0.499 173 S N -0.481 115.192 115.700 -0.045 0.000 2.541 173 S HA 0.705 5.175 4.470 0.000 0.000 0.280 173 S C -0.498 174.117 174.600 0.024 0.000 1.112 173 S CA -0.446 57.750 58.200 -0.006 0.000 0.925 173 S CB 1.743 64.949 63.200 0.009 0.000 1.067 173 S HN 0.957 nan 8.310 nan 0.000 0.479 174 M N 4.367 123.983 119.600 0.026 0.000 2.018 174 M HA 0.475 4.955 4.480 0.000 0.000 0.311 174 M C -1.726 174.610 176.300 0.059 0.000 0.928 174 M CA -0.656 54.668 55.300 0.040 0.000 0.911 174 M CB 0.163 32.753 32.600 -0.016 0.000 1.447 174 M HN 0.441 nan 8.290 nan 0.000 0.407 175 I N 6.314 126.926 120.570 0.071 0.000 2.337 175 I HA 0.252 4.422 4.170 0.000 0.000 0.291 175 I C -0.088 176.033 176.117 0.006 0.000 1.046 175 I CA -0.246 61.045 61.300 -0.016 0.000 1.324 175 I CB 0.206 38.134 38.000 -0.120 0.000 1.409 175 I HN 0.732 nan 8.210 nan 0.000 0.494 176 I N 5.199 125.796 120.570 0.046 0.000 2.325 176 I HA 0.339 4.509 4.170 0.000 0.000 0.291 176 I C 1.175 177.363 176.117 0.118 0.000 1.019 176 I CA -0.056 61.346 61.300 0.170 0.000 1.302 176 I CB 1.202 39.317 38.000 0.191 0.000 1.401 176 I HN 0.859 nan 8.210 nan 0.000 0.485 177 G N 4.017 112.937 108.800 0.200 0.000 2.147 177 G HA2 -0.072 3.888 3.960 0.000 0.000 0.244 177 G HA3 -0.072 3.888 3.960 0.000 0.000 0.244 177 G C 0.204 175.120 174.900 0.026 0.000 1.005 177 G CA -0.022 45.176 45.100 0.163 0.000 0.713 177 G HN 1.203 nan 8.290 nan 0.000 0.515 178 G N -1.445 107.208 108.800 -0.245 0.000 2.430 178 G HA2 0.632 4.592 3.960 0.000 0.000 0.300 178 G HA3 0.632 4.592 3.960 0.000 0.000 0.300 178 G C -1.483 173.142 174.900 -0.459 0.000 1.330 178 G CA -0.477 44.329 45.100 -0.490 0.000 0.813 178 G HN 0.795 nan 8.290 nan 0.000 0.487 179 I N 0.851 121.235 120.570 -0.309 0.000 2.499 179 I HA 0.322 4.493 4.170 0.000 0.000 0.288 179 I C -1.421 174.688 176.117 -0.013 0.000 1.048 179 I CA -0.682 60.581 61.300 -0.062 0.000 1.062 179 I CB 2.406 40.404 38.000 -0.002 0.000 1.238 179 I HN 0.373 nan 8.210 nan 0.000 0.426 180 D N 5.429 125.890 120.400 0.101 0.000 2.373 180 D HA 0.179 4.819 4.640 0.000 0.000 0.227 180 D C 0.976 177.264 176.300 -0.020 0.000 1.091 180 D CA -0.263 53.770 54.000 0.055 0.000 0.840 180 D CB 0.888 41.728 40.800 0.067 0.000 1.060 180 D HN 0.511 nan 8.370 nan 0.000 0.502 181 H N 1.721 120.857 119.070 0.110 0.000 2.489 181 H HA -0.116 4.440 4.556 0.000 0.000 0.295 181 H C 1.804 176.927 175.328 -0.343 0.000 1.082 181 H CA 1.211 57.176 56.048 -0.139 0.000 1.295 181 H CB 0.140 29.837 29.762 -0.108 0.000 1.380 181 H HN 0.389 nan 8.280 nan 0.000 0.548 182 S N 0.270 115.917 115.700 -0.090 0.000 2.603 182 S HA 0.045 4.515 4.470 0.000 0.000 0.220 182 S C 1.763 176.259 174.600 -0.175 0.000 0.967 182 S CA -0.032 58.093 58.200 -0.125 0.000 0.920 182 S CB -0.382 62.783 63.200 -0.058 0.000 0.773 182 S HN 0.285 nan 8.310 nan 0.000 0.529 183 L N 0.373 121.437 121.223 -0.264 0.000 2.592 183 L HA 0.361 4.701 4.340 0.000 0.000 0.227 183 L C 0.378 177.137 176.870 -0.183 0.000 1.127 183 L CA -0.236 54.398 54.840 -0.343 0.000 0.884 183 L CB -0.324 41.267 42.059 -0.780 0.000 1.065 183 L HN 0.623 nan 8.230 nan 0.000 0.457 184 Y N -2.511 117.657 120.300 -0.221 0.000 2.705 184 Y HA 0.671 5.221 4.550 0.000 0.000 0.332 184 Y C -0.568 175.344 175.900 0.019 0.000 1.221 184 Y CA -1.319 56.754 58.100 -0.046 0.000 1.059 184 Y CB 1.052 39.548 38.460 0.061 0.000 1.298 184 Y HN -0.126 nan 8.280 nan 0.000 0.459 185 T N -0.942 113.717 114.554 0.176 0.000 2.906 185 T HA 0.795 5.145 4.350 0.000 0.000 0.295 185 T C 0.249 175.090 174.700 0.235 0.000 1.075 185 T CA -0.348 61.795 62.100 0.071 0.000 1.005 185 T CB 1.077 69.976 68.868 0.052 0.000 1.136 185 T HN 2.353 nan 8.240 nan 0.000 0.498 186 G N 1.327 110.220 108.800 0.155 0.000 2.741 186 G HA2 -0.000 3.960 3.960 0.000 0.000 0.222 186 G HA3 -0.000 3.960 3.960 0.000 0.000 0.222 186 G C -0.261 174.800 174.900 0.268 0.000 1.364 186 G CA -0.377 44.837 45.100 0.191 0.000 0.866 186 G HN 1.220 nan 8.290 nan 0.000 0.555 187 S N -0.852 114.975 115.700 0.212 0.000 2.646 187 S HA 0.655 5.126 4.470 0.000 0.000 0.276 187 S C 0.468 175.095 174.600 0.045 0.000 1.222 187 S CA -0.538 57.727 58.200 0.108 0.000 1.014 187 S CB 1.411 64.573 63.200 -0.064 0.000 0.991 187 S HN 0.646 nan 8.310 nan 0.000 0.533 188 L N 1.790 122.912 121.223 -0.168 0.000 2.276 188 L HA 0.405 4.745 4.340 0.000 0.000 0.286 188 L C -1.206 175.304 176.870 -0.601 0.000 1.061 188 L CA -0.313 54.289 54.840 -0.396 0.000 0.807 188 L CB 0.641 42.382 42.059 -0.531 0.000 1.177 188 L HN 0.655 nan 8.230 nan 0.000 0.429 189 W N 2.713 123.582 121.300 -0.719 0.000 2.573 189 W HA 0.460 5.120 4.660 0.000 0.000 0.326 189 W C -0.735 175.157 176.519 -1.044 0.000 1.049 189 W CA -0.238 56.534 57.345 -0.955 0.000 1.220 189 W CB 1.138 29.700 29.460 -1.497 0.000 1.373 189 W HN 0.202 nan 8.180 nan 0.000 0.507 190 Y N 1.334 121.457 120.300 -0.294 0.000 2.377 190 Y HA 0.535 5.085 4.550 0.000 0.000 0.339 190 Y C 0.524 176.607 175.900 0.305 0.000 1.011 190 Y CA -0.841 57.252 58.100 -0.011 0.000 1.093 190 Y CB 2.136 40.569 38.460 -0.045 0.000 1.201 190 Y HN 0.161 nan 8.280 nan 0.000 0.455 191 T N 4.607 119.501 114.554 0.567 0.000 2.856 191 T HA 0.527 4.877 4.350 0.000 0.000 0.283 191 T C -2.882 172.004 174.700 0.309 0.000 1.008 191 T CA -2.643 59.749 62.100 0.487 0.000 0.997 191 T CB 1.108 70.215 68.868 0.399 0.000 0.992 191 T HN 0.246 nan 8.240 nan 0.000 0.454 192 P HA 0.319 nan 4.420 nan 0.000 0.271 192 P C -0.567 176.842 177.300 0.182 0.000 1.218 192 P CA -0.270 62.935 63.100 0.176 0.000 0.780 192 P CB 0.351 32.134 31.700 0.139 0.000 0.901 193 I N 3.522 124.200 120.570 0.180 0.000 2.294 193 I HA 0.158 4.328 4.170 0.000 0.000 0.295 193 I C 1.985 178.208 176.117 0.176 0.000 1.098 193 I CA -0.114 61.318 61.300 0.221 0.000 1.277 193 I CB 0.318 38.475 38.000 0.261 0.000 1.434 193 I HN 0.447 nan 8.210 nan 0.000 0.498 194 R N 5.496 126.111 120.500 0.191 0.000 2.113 194 R HA -0.106 4.235 4.340 0.000 0.000 0.244 194 R C 0.855 177.225 176.300 0.117 0.000 1.142 194 R CA 1.593 57.785 56.100 0.154 0.000 0.953 194 R CB 0.229 30.641 30.300 0.187 0.000 0.860 194 R HN 0.597 nan 8.270 nan 0.000 0.438 195 R N -0.070 120.536 120.500 0.177 0.000 2.604 195 R HA 0.110 4.450 4.340 0.000 0.000 0.270 195 R C -1.658 174.741 176.300 0.164 0.000 1.052 195 R CA -0.473 55.664 56.100 0.062 0.000 0.902 195 R CB 1.588 31.819 30.300 -0.115 0.000 1.233 195 R HN 0.050 nan 8.270 nan 0.000 0.455 196 E N 4.666 124.797 120.200 -0.116 0.000 1.861 196 E HA 0.095 4.445 4.350 0.000 0.000 0.263 196 E C -0.264 176.257 176.600 -0.132 0.000 1.137 196 E CA 0.028 56.131 56.400 -0.495 0.000 0.944 196 E CB 0.311 29.358 29.700 -1.087 0.000 1.092 196 E HN 0.508 nan 8.360 nan 0.000 0.420 197 W N 2.292 123.583 121.300 -0.015 0.000 5.120 197 W HA 0.160 4.820 4.660 0.000 0.000 0.169 197 W C -0.384 176.167 176.519 0.052 0.000 3.038 197 W CA -0.166 57.208 57.345 0.048 0.000 1.923 197 W CB -0.287 29.169 29.460 -0.007 0.000 1.318 197 W HN 0.084 nan 8.180 nan 0.000 0.926 198 Y N 0.268 120.375 120.300 -0.321 0.000 2.518 198 Y HA 0.434 4.984 4.550 0.000 0.000 0.332 198 Y C -0.354 175.466 175.900 -0.134 0.000 1.276 198 Y CA -0.707 57.167 58.100 -0.376 0.000 1.418 198 Y CB 0.322 38.381 38.460 -0.668 0.000 1.527 198 Y HN -0.245 nan 8.280 nan 0.000 0.549 199 Y N 1.043 121.519 120.300 0.293 0.000 2.724 199 Y HA 0.162 4.712 4.550 0.000 0.000 0.332 199 Y C 0.197 176.245 175.900 0.247 0.000 1.276 199 Y CA -0.639 57.661 58.100 0.333 0.000 1.597 199 Y CB -0.149 38.530 38.460 0.365 0.000 1.584 199 Y HN 0.371 nan 8.280 nan 0.000 0.478 200 E N 2.453 122.863 120.200 0.350 0.000 2.259 200 E HA 0.498 4.849 4.350 0.000 0.000 0.281 200 E C -0.711 176.054 176.600 0.274 0.000 1.027 200 E CA -0.476 56.095 56.400 0.285 0.000 0.838 200 E CB 0.887 30.831 29.700 0.406 0.000 1.066 200 E HN 0.396 nan 8.360 nan 0.000 0.401 201 V N 1.483 121.520 119.914 0.206 0.000 3.156 201 V HA 0.641 4.761 4.120 0.000 0.000 0.311 201 V C -0.500 175.671 176.094 0.127 0.000 1.208 201 V CA -1.009 61.392 62.300 0.169 0.000 1.063 201 V CB 1.609 33.522 31.823 0.151 0.000 1.098 201 V HN 0.625 nan 8.190 nan 0.000 0.452 202 I N 1.372 121.996 120.570 0.090 0.000 2.418 202 I HA 0.485 4.656 4.170 0.000 0.000 0.287 202 I C -0.819 175.309 176.117 0.018 0.000 1.008 202 I CA -0.407 60.938 61.300 0.076 0.000 1.104 202 I CB 1.839 39.892 38.000 0.089 0.000 1.264 202 I HN 0.493 nan 8.210 nan 0.000 0.438 203 I N 6.810 127.398 120.570 0.031 0.000 2.325 203 I HA 0.111 4.281 4.170 0.000 0.000 0.291 203 I C 1.179 177.344 176.117 0.079 0.000 1.019 203 I CA -0.272 61.018 61.300 -0.017 0.000 1.302 203 I CB 1.549 39.521 38.000 -0.046 0.000 1.401 203 I HN 0.495 nan 8.210 nan 0.000 0.485 204 V N 2.872 122.804 119.914 0.030 0.000 3.565 204 V HA 0.346 4.467 4.120 0.000 0.000 0.260 204 V C 0.683 176.826 176.094 0.082 0.000 1.231 204 V CA 0.223 62.566 62.300 0.072 0.000 1.100 204 V CB -0.154 31.677 31.823 0.012 0.000 0.807 204 V HN 0.853 nan 8.190 nan 0.000 0.454 205 R N -0.471 120.015 120.500 -0.024 0.000 2.629 205 R HA 0.689 5.029 4.340 0.000 0.000 0.266 205 R C -2.433 173.720 176.300 -0.245 0.000 1.051 205 R CA -0.408 55.616 56.100 -0.127 0.000 0.895 205 R CB 2.739 32.743 30.300 -0.493 0.000 1.246 205 R HN 0.067 nan 8.270 nan 0.000 0.459 206 V N 2.659 122.387 119.914 -0.311 0.000 2.638 206 V HA 0.456 4.577 4.120 0.000 0.000 0.306 206 V C -0.860 175.162 176.094 -0.119 0.000 1.052 206 V CA -0.737 61.375 62.300 -0.314 0.000 0.885 206 V CB 1.965 33.398 31.823 -0.650 0.000 0.999 206 V HN 0.787 nan 8.190 nan 0.000 0.424 207 E N 4.538 124.712 120.200 -0.043 0.000 2.288 207 E HA 0.616 4.966 4.350 0.000 0.000 0.268 207 E C -1.477 175.119 176.600 -0.006 0.000 0.885 207 E CA -0.887 55.508 56.400 -0.008 0.000 0.767 207 E CB 2.809 32.538 29.700 0.050 0.000 1.220 207 E HN 0.362 nan 8.360 nan 0.000 0.427 208 I N 2.474 123.047 120.570 0.004 0.000 2.411 208 I HA 0.177 4.348 4.170 0.000 0.000 0.284 208 I C 0.215 176.357 176.117 0.043 0.000 1.012 208 I CA -0.405 60.910 61.300 0.024 0.000 1.119 208 I CB 0.499 38.506 38.000 0.012 0.000 1.261 208 I HN 0.767 nan 8.210 nan 0.000 0.448 209 N N 4.769 123.510 118.700 0.068 0.000 2.714 209 N HA -0.244 4.496 4.740 0.000 0.000 0.252 209 N C 1.191 176.728 175.510 0.046 0.000 1.014 209 N CA 0.642 53.734 53.050 0.070 0.000 0.735 209 N CB -0.323 38.209 38.487 0.076 0.000 0.924 209 N HN 1.153 nan 8.380 nan 0.000 0.540 210 G N -0.334 108.489 108.800 0.039 0.000 2.234 210 G HA2 -0.388 3.572 3.960 0.000 0.000 0.260 210 G HA3 -0.388 3.572 3.960 0.000 0.000 0.260 210 G C -0.082 174.825 174.900 0.011 0.000 0.987 210 G CA 0.689 45.807 45.100 0.029 0.000 0.625 210 G HN 0.596 nan 8.290 nan 0.000 0.532 211 Q N 1.091 120.896 119.800 0.009 0.000 2.294 211 Q HA 0.427 4.767 4.340 0.000 0.000 0.257 211 Q C -0.503 175.488 176.000 -0.015 0.000 0.955 211 Q CA -0.622 55.178 55.803 -0.005 0.000 0.936 211 Q CB 0.586 29.323 28.738 -0.002 0.000 1.188 211 Q HN 0.235 nan 8.270 nan 0.000 0.420 212 D N 3.613 123.995 120.400 -0.030 0.000 2.450 212 D HA -0.078 4.562 4.640 0.000 0.000 0.247 212 D C 0.665 176.960 176.300 -0.007 0.000 1.162 212 D CA 0.019 53.997 54.000 -0.038 0.000 0.879 212 D CB 0.940 41.706 40.800 -0.057 0.000 1.163 212 D HN 0.583 nan 8.370 nan 0.000 0.472 213 L N 4.107 125.341 121.223 0.019 0.000 2.362 213 L HA -0.013 4.327 4.340 0.000 0.000 0.219 213 L C 1.286 178.194 176.870 0.063 0.000 1.134 213 L CA 1.047 55.919 54.840 0.053 0.000 0.807 213 L CB -0.768 41.356 42.059 0.108 0.000 0.927 213 L HN 0.703 nan 8.230 nan 0.000 0.447 214 K N 0.142 120.577 120.400 0.058 0.000 3.257 214 K HA -0.227 4.094 4.320 0.000 0.000 0.270 214 K C -0.408 176.186 176.600 -0.011 0.000 0.984 214 K CA 0.494 56.790 56.287 0.016 0.000 0.739 214 K CB -0.912 31.581 32.500 -0.012 0.000 1.351 214 K HN 0.344 nan 8.250 nan 0.000 0.463 215 M N 0.116 119.701 119.600 -0.025 0.000 2.724 215 M HA 0.197 4.678 4.480 0.000 0.000 0.310 215 M C 0.118 176.230 176.300 -0.313 0.000 1.217 215 M CA -0.941 54.250 55.300 -0.181 0.000 0.894 215 M CB 1.120 33.565 32.600 -0.258 0.000 1.719 215 M HN 0.047 nan 8.290 nan 0.000 0.479 216 D N 1.421 121.650 120.400 -0.285 0.000 2.412 216 D HA 0.005 4.645 4.640 0.000 0.000 0.257 216 D C 1.184 177.230 176.300 -0.424 0.000 1.217 216 D CA -0.106 53.744 54.000 -0.251 0.000 0.897 216 D CB 0.967 41.662 40.800 -0.176 0.000 1.132 216 D HN 0.855 nan 8.370 nan 0.000 0.493 217 c N 3.935 122.334 118.600 -0.336 0.000 2.400 217 c HA -0.099 4.471 4.570 0.000 0.000 0.291 217 c C 2.050 176.023 174.090 -0.195 0.000 1.372 217 c CA 0.157 56.293 56.329 -0.323 0.000 1.800 217 c CB -0.730 41.780 42.510 -0.001 0.000 1.869 217 c HN 0.612 nan 8.230 nan 0.000 0.533 218 K N 0.691 121.009 120.400 -0.135 0.000 2.148 218 K HA -0.081 4.239 4.320 0.000 0.000 0.204 218 K C 2.237 178.830 176.600 -0.011 0.000 1.050 218 K CA 1.395 57.679 56.287 -0.004 0.000 0.942 218 K CB -0.155 32.364 32.500 0.033 0.000 0.724 218 K HN 0.566 nan 8.250 nan 0.000 0.446 219 E N 0.308 120.405 120.200 -0.171 0.000 2.118 219 E HA -0.197 4.153 4.350 0.000 0.000 0.195 219 E C 1.844 178.475 176.600 0.051 0.000 0.992 219 E CA 1.364 57.696 56.400 -0.113 0.000 0.804 219 E CB -0.311 29.254 29.700 -0.225 0.000 0.741 219 E HN 0.548 nan 8.360 nan 0.000 0.458 220 Y N 0.736 121.065 120.300 0.049 0.000 2.403 220 Y HA -0.077 4.473 4.550 0.000 0.000 0.291 220 Y C 1.369 177.297 175.900 0.047 0.000 1.143 220 Y CA 0.345 58.467 58.100 0.036 0.000 1.257 220 Y CB 0.128 38.594 38.460 0.011 0.000 0.984 220 Y HN 0.019 nan 8.280 nan 0.000 0.550 221 N N -0.946 117.884 118.700 0.216 0.000 2.416 221 N HA -0.002 4.739 4.740 0.000 0.000 0.267 221 N C -1.271 174.331 175.510 0.154 0.000 1.294 221 N CA -0.078 53.073 53.050 0.169 0.000 0.891 221 N CB 0.301 38.898 38.487 0.183 0.000 1.238 221 N HN 0.189 nan 8.380 nan 0.000 0.508 222 Y N 2.960 123.227 120.300 -0.056 0.000 2.434 222 Y HA 0.172 4.722 4.550 0.000 0.000 0.341 222 Y C 0.523 176.297 175.900 -0.211 0.000 0.965 222 Y CA -1.177 56.771 58.100 -0.254 0.000 1.205 222 Y CB 0.437 38.734 38.460 -0.272 0.000 1.121 222 Y HN 0.038 nan 8.280 nan 0.000 0.507 223 D N 4.603 124.621 120.400 -0.638 0.000 2.440 223 D HA 0.135 4.775 4.640 0.000 0.000 0.216 223 D C -0.595 175.690 176.300 -0.025 0.000 1.150 223 D CA -0.114 53.565 54.000 -0.535 0.000 0.832 223 D CB 0.222 40.658 40.800 -0.606 0.000 0.992 223 D HN 0.639 nan 8.370 nan 0.000 0.502 224 K N -1.964 118.416 120.400 -0.033 0.000 2.736 224 K HA 0.439 4.759 4.320 0.000 0.000 0.290 224 K C -1.882 174.710 176.600 -0.014 0.000 1.033 224 K CA -0.790 55.530 56.287 0.055 0.000 0.852 224 K CB 0.842 33.365 32.500 0.037 0.000 1.494 224 K HN -0.180 nan 8.250 nan 0.000 0.378 225 S N 1.258 116.974 115.700 0.026 0.000 2.647 225 S HA 0.637 5.107 4.470 0.000 0.000 0.300 225 S C -0.627 173.981 174.600 0.014 0.000 1.129 225 S CA -0.831 57.376 58.200 0.011 0.000 1.029 225 S CB 0.513 63.746 63.200 0.054 0.000 1.007 225 S HN 0.570 nan 8.310 nan 0.000 0.484 226 I N -0.290 120.266 120.570 -0.023 0.000 3.002 226 I HA 0.817 4.987 4.170 0.000 0.000 0.310 226 I C -1.292 174.889 176.117 0.107 0.000 1.087 226 I CA -1.218 60.103 61.300 0.035 0.000 1.017 226 I CB 1.862 39.806 38.000 -0.094 0.000 1.226 226 I HN 0.249 nan 8.210 nan 0.000 0.443 227 V N 2.702 122.744 119.914 0.213 0.000 2.370 227 V HA 0.408 4.529 4.120 0.000 0.000 0.283 227 V C -1.027 175.218 176.094 0.251 0.000 1.023 227 V CA 0.060 62.499 62.300 0.232 0.000 0.857 227 V CB 1.053 33.029 31.823 0.256 0.000 0.985 227 V HN 0.783 nan 8.190 nan 0.000 0.443 228 D N 2.731 123.236 120.400 0.176 0.000 2.402 228 D HA 0.238 4.878 4.640 0.000 0.000 0.252 228 D C 1.086 177.449 176.300 0.106 0.000 1.294 228 D CA -0.021 54.065 54.000 0.144 0.000 0.948 228 D CB 1.883 42.753 40.800 0.117 0.000 1.202 228 D HN 0.442 nan 8.370 nan 0.000 0.561 229 S N 1.490 117.239 115.700 0.082 0.000 2.469 229 S HA -0.058 4.412 4.470 0.000 0.000 0.238 229 S C 1.890 176.521 174.600 0.050 0.000 0.998 229 S CA 0.773 59.008 58.200 0.059 0.000 0.957 229 S CB -0.116 63.083 63.200 -0.001 0.000 0.764 229 S HN 0.448 nan 8.310 nan 0.000 0.514 230 G N 0.344 109.159 108.800 0.026 0.000 2.920 230 G HA2 0.246 4.206 3.960 0.000 0.000 0.208 230 G HA3 0.246 4.206 3.960 0.000 0.000 0.208 230 G C 0.178 175.086 174.900 0.012 0.000 1.159 230 G CA 0.146 45.239 45.100 -0.012 0.000 0.784 230 G HN 0.486 nan 8.290 nan 0.000 0.535 231 T N 0.159 114.739 114.554 0.044 0.000 2.797 231 T HA 0.379 4.729 4.350 0.000 0.000 0.279 231 T C 1.300 176.030 174.700 0.051 0.000 0.991 231 T CA -0.382 61.742 62.100 0.041 0.000 0.979 231 T CB 1.972 70.864 68.868 0.039 0.000 0.943 231 T HN -0.030 nan 8.240 nan 0.000 0.444 232 T N 3.433 118.010 114.554 0.039 0.000 2.639 232 T HA -0.031 4.319 4.350 0.000 0.000 0.261 232 T C 1.137 175.861 174.700 0.041 0.000 1.053 232 T CA 1.030 63.157 62.100 0.046 0.000 1.158 232 T CB -0.118 68.768 68.868 0.030 0.000 0.863 232 T HN 0.449 nan 8.240 nan 0.000 0.413 233 N N 1.176 119.884 118.700 0.014 0.000 2.379 233 N HA 0.361 5.101 4.740 0.000 0.000 0.260 233 N C -0.685 174.823 175.510 -0.004 0.000 1.254 233 N CA -0.697 52.347 53.050 -0.009 0.000 0.958 233 N CB 0.179 38.637 38.487 -0.049 0.000 1.208 233 N HN 0.112 nan 8.380 nan 0.000 0.532 234 L N 0.874 122.083 121.223 -0.024 0.000 2.268 234 L HA 0.330 4.671 4.340 0.000 0.000 0.289 234 L C -0.296 176.558 176.870 -0.027 0.000 1.064 234 L CA -0.088 54.745 54.840 -0.012 0.000 0.824 234 L CB -0.153 41.894 42.059 -0.019 0.000 1.202 234 L HN 0.320 nan 8.230 nan 0.000 0.433 235 R N 5.915 126.402 120.500 -0.021 0.000 2.407 235 R HA 0.707 5.047 4.340 0.000 0.000 0.303 235 R C -1.166 175.131 176.300 -0.004 0.000 0.981 235 R CA -0.750 55.328 56.100 -0.035 0.000 0.905 235 R CB 1.387 31.651 30.300 -0.059 0.000 1.099 235 R HN 0.616 nan 8.270 nan 0.000 0.459 236 L N 3.149 124.392 121.223 0.033 0.000 2.354 236 L HA 0.517 4.858 4.340 0.000 0.000 0.264 236 L C -2.378 174.543 176.870 0.084 0.000 1.008 236 L CA -2.814 52.078 54.840 0.087 0.000 0.819 236 L CB 2.231 44.395 42.059 0.175 0.000 1.339 236 L HN 0.265 nan 8.230 nan 0.000 0.420 237 P HA 0.003 nan 4.420 nan 0.000 0.265 237 P C 0.262 177.650 177.300 0.147 0.000 1.193 237 P CA -0.034 63.119 63.100 0.088 0.000 0.765 237 P CB 0.707 32.486 31.700 0.132 0.000 0.823 238 K N 4.443 124.911 120.400 0.114 0.000 2.081 238 K HA -0.333 3.987 4.320 0.000 0.000 0.222 238 K C 1.751 178.469 176.600 0.196 0.000 1.055 238 K CA 2.352 58.731 56.287 0.153 0.000 0.954 238 K CB -0.211 32.351 32.500 0.103 0.000 0.732 238 K HN 0.253 nan 8.250 nan 0.000 0.458 239 K N -0.077 120.409 120.400 0.144 0.000 2.097 239 K HA -0.125 4.195 4.320 0.000 0.000 0.206 239 K C 1.883 178.550 176.600 0.111 0.000 1.049 239 K CA 1.613 57.961 56.287 0.102 0.000 0.933 239 K CB 0.093 32.626 32.500 0.055 0.000 0.717 239 K HN 0.105 nan 8.250 nan 0.000 0.442 240 V N 0.810 120.816 119.914 0.153 0.000 2.453 240 V HA -0.186 3.935 4.120 0.000 0.000 0.247 240 V C 1.955 178.146 176.094 0.161 0.000 1.048 240 V CA 1.508 63.914 62.300 0.177 0.000 1.049 240 V CB -0.602 31.369 31.823 0.247 0.000 0.672 240 V HN 0.314 nan 8.190 nan 0.000 0.457 241 F N 1.594 121.581 119.950 0.062 0.000 2.126 241 F HA -0.190 4.337 4.527 0.000 0.000 0.299 241 F C 2.313 178.144 175.800 0.053 0.000 1.096 241 F CA 2.110 60.144 58.000 0.056 0.000 1.255 241 F CB -0.227 38.807 39.000 0.056 0.000 0.997 241 F HN 0.211 nan 8.300 nan 0.000 0.479 242 E N 0.135 120.332 120.200 -0.006 0.000 2.077 242 E HA -0.178 4.173 4.350 0.000 0.000 0.193 242 E C 2.392 178.897 176.600 -0.157 0.000 0.989 242 E CA 1.059 57.390 56.400 -0.115 0.000 0.800 242 E CB -0.436 29.282 29.700 0.031 0.000 0.746 242 E HN 0.500 nan 8.360 nan 0.000 0.452 243 A N 1.459 124.234 122.820 -0.075 0.000 1.873 243 A HA -0.103 4.217 4.320 0.000 0.000 0.215 243 A C 2.388 179.908 177.584 -0.107 0.000 1.186 243 A CA 1.655 53.652 52.037 -0.066 0.000 0.616 243 A CB -0.708 18.291 19.000 -0.002 0.000 0.823 243 A HN 0.294 nan 8.150 nan 0.000 0.442 244 A N -0.476 122.275 122.820 -0.115 0.000 1.865 244 A HA -0.054 4.266 4.320 0.000 0.000 0.217 244 A C 2.229 179.690 177.584 -0.205 0.000 1.191 244 A CA 1.956 53.916 52.037 -0.128 0.000 0.623 244 A CB -1.104 17.839 19.000 -0.095 0.000 0.826 244 A HN 0.442 nan 8.150 nan 0.000 0.444 245 V N 0.237 119.928 119.914 -0.373 0.000 2.407 245 V HA -0.274 3.847 4.120 0.000 0.000 0.248 245 V C 2.525 178.338 176.094 -0.468 0.000 1.055 245 V CA 2.371 64.394 62.300 -0.463 0.000 1.049 245 V CB -0.679 30.747 31.823 -0.662 0.000 0.662 245 V HN 0.647 nan 8.190 nan 0.000 0.455 246 K N -0.221 119.975 120.400 -0.340 0.000 2.097 246 K HA -0.201 4.120 4.320 0.000 0.000 0.206 246 K C 2.499 178.970 176.600 -0.216 0.000 1.049 246 K CA 1.732 57.858 56.287 -0.268 0.000 0.933 246 K CB -0.224 32.171 32.500 -0.175 0.000 0.717 246 K HN 0.430 nan 8.250 nan 0.000 0.442 247 S N 0.440 116.040 115.700 -0.166 0.000 2.371 247 S HA -0.017 4.453 4.470 0.000 0.000 0.224 247 S C 1.863 176.412 174.600 -0.085 0.000 1.029 247 S CA 0.717 58.857 58.200 -0.101 0.000 0.978 247 S CB -0.138 63.024 63.200 -0.064 0.000 0.833 247 S HN 0.312 nan 8.310 nan 0.000 0.466 248 I N 1.006 121.513 120.570 -0.103 0.000 2.394 248 I HA -0.125 4.045 4.170 0.000 0.000 0.251 248 I C 2.465 178.551 176.117 -0.052 0.000 1.136 248 I CA 1.032 62.335 61.300 0.005 0.000 1.425 248 I CB -0.196 37.869 38.000 0.109 0.000 1.079 248 I HN 0.257 nan 8.210 nan 0.000 0.425 249 K N 0.892 121.088 120.400 -0.340 0.000 2.103 249 K HA -0.036 4.284 4.320 0.000 0.000 0.204 249 K C 2.316 178.853 176.600 -0.105 0.000 1.052 249 K CA 1.245 57.327 56.287 -0.342 0.000 0.945 249 K CB -0.159 31.988 32.500 -0.589 0.000 0.722 249 K HN 0.259 nan 8.250 nan 0.000 0.443 250 A N 1.468 124.221 122.820 -0.112 0.000 1.902 250 A HA -0.109 4.211 4.320 0.000 0.000 0.217 250 A C 2.303 179.872 177.584 -0.025 0.000 1.181 250 A CA 1.867 53.867 52.037 -0.062 0.000 0.623 250 A CB -0.575 18.386 19.000 -0.064 0.000 0.818 250 A HN 0.326 nan 8.150 nan 0.000 0.443 251 A N -0.167 122.650 122.820 -0.004 0.000 2.066 251 A HA 0.086 4.406 4.320 0.000 0.000 0.218 251 A C 2.041 179.629 177.584 0.007 0.000 1.157 251 A CA 1.733 53.782 52.037 0.019 0.000 0.670 251 A CB -0.468 18.567 19.000 0.058 0.000 0.804 251 A HN 0.978 nan 8.150 nan 0.000 0.453 252 S N -0.522 115.183 115.700 0.008 0.000 2.602 252 S HA 0.076 4.546 4.470 0.000 0.000 0.240 252 S C 1.358 175.964 174.600 0.010 0.000 0.992 252 S CA 0.582 58.750 58.200 -0.053 0.000 0.971 252 S CB -0.400 62.702 63.200 -0.163 0.000 0.855 252 S HN 0.726 nan 8.310 nan 0.000 0.481 253 S N 1.384 117.088 115.700 0.007 0.000 2.461 253 S HA -0.185 4.286 4.470 0.000 0.000 0.246 253 S C 1.586 176.163 174.600 -0.039 0.000 1.007 253 S CA 1.660 59.857 58.200 -0.006 0.000 0.976 253 S CB -1.495 61.693 63.200 -0.020 0.000 0.763 253 S HN 0.513 nan 8.310 nan 0.000 0.508 254 T N 1.624 116.150 114.554 -0.048 0.000 2.897 254 T HA 0.006 4.357 4.350 0.000 0.000 0.271 254 T C 0.541 175.187 174.700 -0.090 0.000 1.084 254 T CA 1.146 63.211 62.100 -0.059 0.000 1.123 254 T CB -0.198 68.639 68.868 -0.052 0.000 0.865 254 T HN 0.655 nan 8.240 nan 0.000 0.496 255 E N 0.142 120.259 120.200 -0.138 0.000 2.317 255 E HA 0.404 4.755 4.350 0.000 0.000 0.270 255 E C -0.964 175.337 176.600 -0.498 0.000 0.885 255 E CA -0.937 55.278 56.400 -0.307 0.000 0.760 255 E CB 1.437 30.949 29.700 -0.314 0.000 1.227 255 E HN -0.132 nan 8.360 nan 0.000 0.434 256 K N 1.856 121.907 120.400 -0.581 0.000 2.207 256 K HA 0.548 4.868 4.320 0.000 0.000 0.255 256 K C -0.999 175.195 176.600 -0.675 0.000 0.941 256 K CA -0.484 55.549 56.287 -0.423 0.000 0.825 256 K CB 0.975 33.382 32.500 -0.155 0.000 1.119 256 K HN 0.349 nan 8.250 nan 0.000 0.430 257 F N 2.025 122.069 119.950 0.157 0.000 2.577 257 F HA 0.418 4.945 4.527 0.000 0.000 0.318 257 F C -1.679 174.213 175.800 0.154 0.000 1.065 257 F CA -2.079 55.925 58.000 0.005 0.000 0.929 257 F CB 1.211 40.017 39.000 -0.323 0.000 1.237 257 F HN 0.339 nan 8.300 nan 0.000 0.468 258 P HA 0.078 nan 4.420 nan 0.000 0.270 258 P C -0.263 177.245 177.300 0.347 0.000 1.223 258 P CA -0.095 63.146 63.100 0.235 0.000 0.785 258 P CB 1.078 32.864 31.700 0.143 0.000 0.923 259 D N 1.484 122.070 120.400 0.311 0.000 2.178 259 D HA -0.102 4.538 4.640 0.000 0.000 0.201 259 D C 2.202 178.675 176.300 0.288 0.000 0.980 259 D CA 1.791 55.999 54.000 0.347 0.000 0.842 259 D CB -0.894 40.045 40.800 0.232 0.000 0.948 259 D HN 0.630 nan 8.370 nan 0.000 0.472 260 G N -0.043 108.884 108.800 0.211 0.000 2.462 260 G HA2 -0.279 3.681 3.960 0.000 0.000 0.220 260 G HA3 -0.279 3.681 3.960 0.000 0.000 0.220 260 G C 1.400 176.398 174.900 0.164 0.000 1.121 260 G CA 0.389 45.589 45.100 0.166 0.000 0.758 260 G HN 0.277 nan 8.290 nan 0.000 0.559 261 F N 0.329 120.278 119.950 -0.002 0.000 2.084 261 F HA 0.050 4.577 4.527 0.000 0.000 0.296 261 F C 2.216 177.926 175.800 -0.150 0.000 1.111 261 F CA 0.928 58.830 58.000 -0.164 0.000 1.224 261 F CB -0.455 38.303 39.000 -0.404 0.000 0.991 261 F HN 0.206 nan 8.300 nan 0.000 0.471 262 W N 0.594 121.780 121.300 -0.190 0.000 2.525 262 W HA -0.010 4.651 4.660 0.000 0.000 0.259 262 W C 1.585 178.166 176.519 0.103 0.000 1.253 262 W CA 0.317 57.472 57.345 -0.317 0.000 1.262 262 W CB -0.374 29.009 29.460 -0.129 0.000 1.122 262 W HN 0.012 nan 8.180 nan 0.000 0.607 263 L N 0.410 121.805 121.223 0.287 0.000 2.611 263 L HA 0.288 4.628 4.340 0.000 0.000 0.229 263 L C 1.889 178.865 176.870 0.176 0.000 1.137 263 L CA 0.462 55.462 54.840 0.268 0.000 0.901 263 L CB -0.782 41.395 42.059 0.197 0.000 1.098 263 L HN 0.213 nan 8.230 nan 0.000 0.456 264 G N 0.368 109.259 108.800 0.152 0.000 2.180 264 G HA2 -0.328 3.632 3.960 0.000 0.000 0.263 264 G HA3 -0.328 3.632 3.960 0.000 0.000 0.263 264 G C 0.813 175.754 174.900 0.067 0.000 0.989 264 G CA 0.925 46.081 45.100 0.093 0.000 0.692 264 G HN 0.521 nan 8.290 nan 0.000 0.526 265 E N -0.300 119.946 120.200 0.077 0.000 2.075 265 E HA 0.043 4.393 4.350 0.000 0.000 0.190 265 E C 1.538 178.183 176.600 0.075 0.000 0.969 265 E CA 1.112 57.555 56.400 0.071 0.000 0.815 265 E CB 0.006 29.752 29.700 0.076 0.000 0.776 265 E HN 0.874 nan 8.360 nan 0.000 0.457 266 Q N 1.062 120.920 119.800 0.097 0.000 2.297 266 Q HA 0.487 4.827 4.340 0.000 0.000 0.268 266 Q C -0.562 175.527 176.000 0.148 0.000 1.045 266 Q CA -1.079 54.784 55.803 0.100 0.000 0.861 266 Q CB 1.476 30.267 28.738 0.088 0.000 1.344 266 Q HN -0.036 nan 8.270 nan 0.000 0.452 267 L N -0.503 120.779 121.223 0.099 0.000 2.416 267 L HA 0.801 5.141 4.340 0.000 0.000 0.262 267 L C -0.378 176.488 176.870 -0.006 0.000 1.093 267 L CA -0.904 53.995 54.840 0.099 0.000 0.801 267 L CB 0.915 42.998 42.059 0.041 0.000 1.191 267 L HN 0.524 nan 8.230 nan 0.000 0.459 268 V N 0.288 120.131 119.914 -0.117 0.000 2.656 268 V HA 0.722 4.842 4.120 0.000 0.000 0.307 268 V C -0.788 175.024 176.094 -0.469 0.000 1.051 268 V CA -0.264 61.773 62.300 -0.438 0.000 0.893 268 V CB 1.633 32.920 31.823 -0.893 0.000 0.999 268 V HN 1.109 nan 8.190 nan 0.000 0.426 269 c N 5.522 123.788 118.600 -0.557 0.000 2.779 269 c HA 0.780 5.351 4.570 0.000 0.000 0.314 269 c C -1.024 172.752 174.090 -0.524 0.000 1.231 269 c CA -0.890 55.220 56.329 -0.365 0.000 1.652 269 c CB 1.814 44.221 42.510 -0.171 0.000 2.198 269 c HN 0.908 nan 8.230 nan 0.000 0.483 270 W N 0.746 122.063 121.300 0.028 0.000 3.107 270 W HA 0.400 5.060 4.660 0.001 0.000 0.331 270 W C -0.292 176.233 176.519 0.010 0.000 1.204 270 W CA -0.430 56.924 57.345 0.015 0.000 1.184 270 W CB 1.206 30.669 29.460 0.003 0.000 1.421 270 W HN 0.742 nan 8.180 nan 0.000 0.544 271 Q N 1.583 121.525 119.800 0.237 0.000 2.369 271 Q HA 0.292 4.632 4.340 0.000 0.000 0.295 271 Q C 0.440 176.521 176.000 0.135 0.000 1.075 271 Q CA 0.250 56.133 55.803 0.134 0.000 0.941 271 Q CB 0.906 29.704 28.738 0.100 0.000 1.260 271 Q HN 0.468 nan 8.270 nan 0.000 0.417 272 A N 2.603 125.476 122.820 0.089 0.000 2.580 272 A HA 0.276 4.597 4.320 0.000 0.000 0.244 272 A C 1.213 178.846 177.584 0.081 0.000 1.045 272 A CA 0.816 52.900 52.037 0.079 0.000 0.761 272 A CB -0.945 18.081 19.000 0.043 0.000 0.962 272 A HN 1.388 nan 8.150 nan 0.000 0.512 273 G N 1.832 110.693 108.800 0.101 0.000 2.168 273 G HA2 -0.281 3.679 3.960 0.000 0.000 0.263 273 G HA3 -0.281 3.679 3.960 0.000 0.000 0.263 273 G C 0.812 175.750 174.900 0.063 0.000 0.977 273 G CA 1.503 46.660 45.100 0.096 0.000 0.659 273 G HN 2.201 nan 8.290 nan 0.000 0.533 274 T N -1.931 112.645 114.554 0.037 0.000 3.134 274 T HA 0.402 4.752 4.350 0.000 0.000 0.260 274 T C 0.873 175.398 174.700 -0.292 0.000 1.027 274 T CA 0.821 62.892 62.100 -0.048 0.000 0.913 274 T CB 0.247 69.127 68.868 0.019 0.000 1.046 274 T HN 0.363 nan 8.240 nan 0.000 0.553 275 T N 6.099 120.404 114.554 -0.415 0.000 2.778 275 T HA 0.129 4.480 4.350 0.000 0.000 0.282 275 T C -2.056 171.933 174.700 -1.185 0.000 0.983 275 T CA -0.517 60.908 62.100 -1.124 0.000 1.193 275 T CB 0.575 68.600 68.868 -1.406 0.000 0.938 275 T HN 0.276 nan 8.240 nan 0.000 0.523 276 P HA 0.096 nan 4.420 nan 0.000 0.226 276 P C 0.337 177.465 177.300 -0.285 0.000 1.783 276 P CA -0.370 62.398 63.100 -0.553 0.000 0.980 276 P CB -0.306 31.142 31.700 -0.420 0.000 1.967 277 W N 2.368 123.600 121.300 -0.115 0.000 2.302 277 W HA -0.323 4.337 4.660 0.000 0.000 0.320 277 W C 2.207 178.799 176.519 0.121 0.000 1.241 277 W CA 1.766 59.106 57.345 -0.008 0.000 1.264 277 W CB -1.791 27.640 29.460 -0.048 0.000 1.154 277 W HN 0.281 nan 8.180 nan 0.000 0.483 278 N N 1.713 120.592 118.700 0.299 0.000 2.334 278 N HA -0.240 4.500 4.740 0.000 0.000 0.187 278 N C 1.368 176.958 175.510 0.133 0.000 1.016 278 N CA 2.264 55.428 53.050 0.190 0.000 0.879 278 N CB -1.124 37.421 38.487 0.096 0.000 0.965 278 N HN 0.494 nan 8.380 nan 0.000 0.438 279 I N -4.312 116.316 120.570 0.096 0.000 3.059 279 I HA 0.216 4.386 4.170 0.000 0.000 0.270 279 I C -0.361 175.733 176.117 -0.039 0.000 1.238 279 I CA -0.113 61.175 61.300 -0.021 0.000 1.478 279 I CB -0.231 37.688 38.000 -0.134 0.000 1.097 279 I HN -0.161 nan 8.210 nan 0.000 0.455 280 F N 3.929 123.982 119.950 0.172 0.000 2.384 280 F HA 0.510 5.037 4.527 0.000 0.000 0.338 280 F C -1.924 174.039 175.800 0.273 0.000 1.103 280 F CA -2.598 55.567 58.000 0.275 0.000 1.157 280 F CB 0.410 39.595 39.000 0.308 0.000 1.167 280 F HN -0.108 nan 8.300 nan 0.000 0.529 281 P HA 0.208 nan 4.420 nan 0.000 0.276 281 P C -0.889 176.650 177.300 0.397 0.000 1.252 281 P CA -0.293 63.008 63.100 0.334 0.000 0.802 281 P CB 1.593 33.436 31.700 0.239 0.000 1.035 282 V N -0.475 119.597 119.914 0.264 0.000 2.743 282 V HA 0.509 4.629 4.120 0.000 0.000 0.301 282 V C 0.163 176.375 176.094 0.196 0.000 1.057 282 V CA -0.671 61.776 62.300 0.245 0.000 1.006 282 V CB 0.530 32.441 31.823 0.148 0.000 1.024 282 V HN 0.303 nan 8.190 nan 0.000 0.473 283 I N 2.805 123.487 120.570 0.187 0.000 2.433 283 I HA 0.496 4.667 4.170 0.000 0.000 0.292 283 I C 0.026 176.156 176.117 0.021 0.000 1.001 283 I CA -0.107 61.240 61.300 0.078 0.000 1.119 283 I CB 2.008 40.031 38.000 0.037 0.000 1.289 283 I HN 0.710 nan 8.210 nan 0.000 0.438 284 S N 6.881 122.558 115.700 -0.038 0.000 2.473 284 S HA 0.653 5.123 4.470 0.000 0.000 0.307 284 S C -0.536 173.962 174.600 -0.170 0.000 1.094 284 S CA -0.608 57.512 58.200 -0.133 0.000 1.070 284 S CB 1.399 64.496 63.200 -0.171 0.000 1.019 284 S HN 0.343 nan 8.310 nan 0.000 0.480 285 L N 3.645 124.700 121.223 -0.280 0.000 2.319 285 L HA 0.507 4.847 4.340 0.000 0.000 0.281 285 L C -1.309 175.307 176.870 -0.422 0.000 1.005 285 L CA -0.793 53.873 54.840 -0.290 0.000 0.828 285 L CB 0.732 42.612 42.059 -0.298 0.000 1.227 285 L HN 0.594 nan 8.230 nan 0.000 0.415 286 Y N 3.722 123.769 120.300 -0.421 0.000 2.304 286 Y HA 0.516 5.066 4.550 0.000 0.000 0.328 286 Y C 0.153 175.754 175.900 -0.498 0.000 1.123 286 Y CA -0.239 57.578 58.100 -0.471 0.000 1.218 286 Y CB 1.147 39.377 38.460 -0.385 0.000 1.207 286 Y HN 0.368 nan 8.280 nan 0.000 0.495 287 L N 3.921 124.768 121.223 -0.628 0.000 2.342 287 L HA 0.492 4.833 4.340 0.000 0.000 0.271 287 L C -0.107 176.525 176.870 -0.396 0.000 1.008 287 L CA -1.132 53.348 54.840 -0.599 0.000 0.818 287 L CB 1.871 43.356 42.059 -0.956 0.000 1.296 287 L HN 0.601 nan 8.230 nan 0.000 0.427 288 M N 1.370 120.891 119.600 -0.131 0.000 2.252 288 M HA 0.256 4.737 4.480 0.000 0.000 0.348 288 M C 0.398 176.788 176.300 0.151 0.000 1.334 288 M CA 0.273 55.589 55.300 0.027 0.000 1.071 288 M CB 0.718 33.358 32.600 0.065 0.000 1.763 288 M HN 0.704 nan 8.290 nan 0.000 0.452 289 G N 3.367 112.315 108.800 0.247 0.000 2.535 289 G HA2 0.252 4.212 3.960 0.000 0.000 0.303 289 G HA3 0.252 4.212 3.960 0.000 0.000 0.303 289 G C -0.013 175.053 174.900 0.278 0.000 1.237 289 G CA -0.450 44.893 45.100 0.406 0.000 0.986 289 G HN 0.909 nan 8.290 nan 0.000 0.494 290 E N -1.418 118.940 120.200 0.264 0.000 2.158 290 E HA -0.015 4.336 4.350 0.000 0.000 0.191 290 E C 0.709 177.383 176.600 0.124 0.000 0.982 290 E CA 0.258 56.756 56.400 0.164 0.000 0.823 290 E CB 0.159 29.931 29.700 0.120 0.000 0.766 290 E HN 0.116 nan 8.360 nan 0.000 0.468 291 V N 2.241 122.240 119.914 0.141 0.000 2.649 291 V HA 0.021 4.141 4.120 0.000 0.000 0.292 291 V C 0.440 176.598 176.094 0.108 0.000 1.055 291 V CA -0.259 62.106 62.300 0.108 0.000 1.023 291 V CB 1.498 33.388 31.823 0.111 0.000 0.992 291 V HN 0.120 nan 8.190 nan 0.000 0.480 292 T N 5.503 120.104 114.554 0.079 0.000 2.905 292 T HA 0.002 4.352 4.350 0.000 0.000 0.299 292 T C 0.979 175.726 174.700 0.079 0.000 1.024 292 T CA 0.359 62.502 62.100 0.071 0.000 1.151 292 T CB -0.307 68.591 68.868 0.051 0.000 0.987 292 T HN 0.857 nan 8.240 nan 0.000 0.535 293 N N 0.898 119.645 118.700 0.078 0.000 2.713 293 N HA -0.176 4.564 4.740 0.000 0.000 0.251 293 N C -0.058 175.516 175.510 0.107 0.000 1.117 293 N CA 0.953 54.051 53.050 0.079 0.000 0.770 293 N CB -0.707 37.817 38.487 0.062 0.000 1.137 293 N HN 0.811 nan 8.380 nan 0.000 0.566 294 Q N 0.501 120.383 119.800 0.137 0.000 2.309 294 Q HA 0.590 4.931 4.340 0.000 0.000 0.264 294 Q C -0.432 175.708 176.000 0.233 0.000 1.008 294 Q CA -0.481 55.433 55.803 0.186 0.000 0.853 294 Q CB 1.511 30.370 28.738 0.202 0.000 1.314 294 Q HN 0.317 nan 8.270 nan 0.000 0.448 295 S N 2.067 117.934 115.700 0.279 0.000 2.685 295 S HA 0.845 5.315 4.470 0.000 0.000 0.282 295 S C -1.035 173.790 174.600 0.375 0.000 1.159 295 S CA -0.738 57.631 58.200 0.282 0.000 0.833 295 S CB 1.183 64.494 63.200 0.186 0.000 1.151 295 S HN 0.600 nan 8.310 nan 0.000 0.485 296 F N -1.217 118.774 119.950 0.068 0.000 2.692 296 F HA 0.902 5.430 4.527 0.000 0.000 0.320 296 F C -0.704 174.909 175.800 -0.311 0.000 1.123 296 F CA -1.245 56.642 58.000 -0.189 0.000 0.961 296 F CB 1.258 39.875 39.000 -0.638 0.000 1.383 296 F HN 0.993 nan 8.300 nan 0.000 0.483 297 R N 1.679 121.943 120.500 -0.393 0.000 2.771 297 R HA 0.834 5.174 4.340 0.000 0.000 0.274 297 R C -1.681 174.319 176.300 -0.500 0.000 0.987 297 R CA -0.947 54.679 56.100 -0.790 0.000 0.908 297 R CB 2.524 31.949 30.300 -1.458 0.000 1.213 297 R HN 1.018 nan 8.270 nan 0.000 0.468 298 I N -0.705 119.527 120.570 -0.564 0.000 2.474 298 I HA 0.552 4.722 4.170 0.000 0.000 0.294 298 I C -1.117 174.879 176.117 -0.201 0.000 1.005 298 I CA -0.705 60.316 61.300 -0.465 0.000 1.113 298 I CB 2.577 39.999 38.000 -0.963 0.000 1.289 298 I HN 0.530 nan 8.210 nan 0.000 0.436 299 T N 7.392 121.980 114.554 0.056 0.000 2.812 299 T HA 0.631 4.982 4.350 0.000 0.000 0.282 299 T C -0.097 174.707 174.700 0.172 0.000 0.990 299 T CA -0.467 61.675 62.100 0.070 0.000 0.960 299 T CB 1.523 70.394 68.868 0.005 0.000 0.948 299 T HN 0.652 nan 8.240 nan 0.000 0.438 300 I N 0.676 121.332 120.570 0.143 0.000 2.750 300 I HA 0.731 4.901 4.170 0.000 0.000 0.308 300 I C -0.904 175.282 176.117 0.117 0.000 1.016 300 I CA -1.413 59.940 61.300 0.088 0.000 1.098 300 I CB 1.324 39.408 38.000 0.141 0.000 1.279 300 I HN 0.418 nan 8.210 nan 0.000 0.454 301 L N 2.518 123.755 121.223 0.023 0.000 2.335 301 L HA 0.528 4.868 4.340 0.000 0.000 0.268 301 L C -1.559 175.158 176.870 -0.255 0.000 1.016 301 L CA -1.731 53.101 54.840 -0.013 0.000 0.805 301 L CB 1.252 43.268 42.059 -0.073 0.000 1.311 301 L HN 0.430 nan 8.230 nan 0.000 0.456 302 P HA -0.141 nan 4.420 nan 0.000 0.222 302 P C 0.837 177.788 177.300 -0.581 0.000 1.147 302 P CA 1.062 63.547 63.100 -1.025 0.000 0.790 302 P CB 0.301 31.790 31.700 -0.351 0.000 0.780 303 Q N -0.610 118.895 119.800 -0.492 0.000 2.437 303 Q HA -0.134 4.206 4.340 0.000 0.000 0.210 303 Q C 2.109 177.954 176.000 -0.259 0.000 0.972 303 Q CA 1.326 56.788 55.803 -0.568 0.000 0.903 303 Q CB -0.342 27.969 28.738 -0.712 0.000 0.967 303 Q HN 0.305 nan 8.270 nan 0.000 0.486 304 Q N -1.810 117.855 119.800 -0.225 0.000 2.274 304 Q HA -0.001 4.340 4.340 0.000 0.000 0.198 304 Q C 1.115 177.119 176.000 0.006 0.000 0.955 304 Q CA 0.805 56.561 55.803 -0.079 0.000 0.859 304 Q CB 0.079 28.796 28.738 -0.035 0.000 0.956 304 Q HN 0.649 nan 8.270 nan 0.000 0.516 305 Y N -1.210 119.100 120.300 0.017 0.000 2.529 305 Y HA 0.380 4.931 4.550 0.000 0.000 0.290 305 Y C -0.176 175.733 175.900 0.014 0.000 1.177 305 Y CA -0.160 57.933 58.100 -0.013 0.000 1.305 305 Y CB -0.114 38.326 38.460 -0.034 0.000 1.047 305 Y HN -0.155 nan 8.280 nan 0.000 0.522 306 L N 3.062 124.285 121.223 -0.001 0.000 2.283 306 L HA 0.417 4.758 4.340 0.000 0.000 0.281 306 L C -0.003 177.020 176.870 0.255 0.000 1.033 306 L CA -0.585 54.326 54.840 0.118 0.000 0.848 306 L CB 1.154 43.139 42.059 -0.123 0.000 1.226 306 L HN 0.117 nan 8.230 nan 0.000 0.429 307 R N 4.916 125.573 120.500 0.261 0.000 2.298 307 R HA 0.320 4.660 4.340 0.000 0.000 0.310 307 R C -2.419 174.049 176.300 0.280 0.000 1.068 307 R CA -1.404 54.834 56.100 0.230 0.000 0.957 307 R CB 0.989 31.367 30.300 0.130 0.000 1.003 307 R HN 0.215 nan 8.270 nan 0.000 0.454 308 P HA -0.003 nan 4.420 nan 0.000 0.271 308 P C -1.299 175.989 177.300 -0.020 0.000 1.220 308 P CA -0.166 62.947 63.100 0.022 0.000 0.768 308 P CB 1.065 32.791 31.700 0.044 0.000 0.848 309 V N 0.038 119.901 119.914 -0.086 0.000 2.971 309 V HA 0.583 4.703 4.120 0.000 0.000 0.309 309 V C -0.508 175.548 176.094 -0.064 0.000 1.130 309 V CA -1.382 60.892 62.300 -0.044 0.000 0.964 309 V CB 2.122 33.939 31.823 -0.009 0.000 1.029 309 V HN 0.223 nan 8.190 nan 0.000 0.427 310 E N 2.281 122.459 120.200 -0.036 0.000 2.344 310 E HA 0.262 4.613 4.350 0.000 0.000 0.270 310 E C -0.228 176.351 176.600 -0.035 0.000 1.021 310 E CA 0.326 56.707 56.400 -0.032 0.000 0.887 310 E CB 0.944 30.633 29.700 -0.018 0.000 0.997 310 E HN 0.954 nan 8.360 nan 0.000 0.429 311 D N 2.261 122.637 120.400 -0.040 0.000 2.363 311 D HA 0.084 4.725 4.640 0.000 0.000 0.240 311 D C -0.320 175.964 176.300 -0.026 0.000 1.236 311 D CA -0.371 53.607 54.000 -0.037 0.000 0.927 311 D CB 0.752 41.527 40.800 -0.041 0.000 1.150 311 D HN 0.216 nan 8.370 nan 0.000 0.458 316 Q N 1.872 121.669 119.800 -0.005 0.000 2.201 316 Q HA 0.212 4.552 4.340 0.000 0.000 0.217 316 Q C -0.686 175.319 176.000 0.009 0.000 0.860 316 Q CA -0.411 55.390 55.803 -0.003 0.000 0.984 316 Q CB 0.273 29.010 28.738 -0.002 0.000 1.095 316 Q HN 0.568 nan 8.270 nan 0.000 0.477 317 D N 1.356 121.761 120.400 0.008 0.000 2.344 317 D HA 0.096 4.736 4.640 0.000 0.000 0.244 317 D C -0.387 175.926 176.300 0.021 0.000 1.134 317 D CA 0.142 54.159 54.000 0.029 0.000 0.930 317 D CB 0.879 41.685 40.800 0.011 0.000 1.175 317 D HN -0.039 nan 8.370 nan 0.000 0.437 318 D N 0.816 121.262 120.400 0.077 0.000 2.359 318 D HA 0.232 4.873 4.640 0.000 0.000 0.230 318 D C -0.369 175.905 176.300 -0.043 0.000 1.118 318 D CA -0.168 53.845 54.000 0.022 0.000 0.844 318 D CB 0.642 41.562 40.800 0.200 0.000 1.059 318 D HN 0.174 nan 8.370 nan 0.000 0.493 319 c N 2.707 121.121 118.600 -0.310 0.000 2.529 319 c HA 0.694 5.264 4.570 0.000 0.000 0.329 319 c C -0.511 173.267 174.090 -0.520 0.000 1.194 319 c CA -0.749 55.432 56.329 -0.245 0.000 1.779 319 c CB 0.205 42.636 42.510 -0.132 0.000 2.322 319 c HN 0.542 nan 8.230 nan 0.000 0.500 320 Y N -0.410 119.938 120.300 0.080 0.000 2.655 320 Y HA 0.605 5.155 4.550 0.000 0.000 0.336 320 Y C -0.087 175.910 175.900 0.161 0.000 1.154 320 Y CA -1.055 57.126 58.100 0.135 0.000 1.055 320 Y CB 1.228 39.800 38.460 0.186 0.000 1.295 320 Y HN 0.453 nan 8.280 nan 0.000 0.465 321 K N 0.827 121.434 120.400 0.346 0.000 2.375 321 K HA 0.395 4.715 4.320 0.000 0.000 0.249 321 K C -1.658 175.089 176.600 0.245 0.000 0.942 321 K CA -0.887 55.557 56.287 0.261 0.000 0.806 321 K CB 2.169 34.757 32.500 0.146 0.000 1.227 321 K HN 0.646 nan 8.250 nan 0.000 0.430 322 F N 1.972 121.826 119.950 -0.159 0.000 2.494 322 F HA 0.117 4.644 4.527 0.000 0.000 0.369 322 F C 0.658 176.440 175.800 -0.030 0.000 1.098 322 F CA -0.198 57.654 58.000 -0.247 0.000 1.154 322 F CB 0.575 39.124 39.000 -0.751 0.000 1.103 322 F HN 0.635 nan 8.300 nan 0.000 0.549 323 A N 8.153 130.853 122.820 -0.201 0.000 2.579 323 A HA 0.350 4.670 4.320 0.000 0.000 0.273 323 A C 0.024 177.419 177.584 -0.314 0.000 1.363 323 A CA -0.154 51.783 52.037 -0.167 0.000 0.953 323 A CB -0.875 18.115 19.000 -0.016 0.000 1.034 323 A HN 0.665 nan 8.150 nan 0.000 0.536 324 I N 1.161 121.326 120.570 -0.674 0.000 2.447 324 I HA 0.349 4.519 4.170 0.000 0.000 0.287 324 I C -0.097 175.960 176.117 -0.100 0.000 1.023 324 I CA -0.327 60.694 61.300 -0.465 0.000 1.083 324 I CB 2.192 39.754 38.000 -0.730 0.000 1.245 324 I HN 0.307 nan 8.210 nan 0.000 0.434 325 S N 4.419 120.074 115.700 -0.074 0.000 2.661 325 S HA 0.484 4.954 4.470 0.000 0.000 0.285 325 S C -0.815 173.400 174.600 -0.642 0.000 1.138 325 S CA -0.884 57.120 58.200 -0.327 0.000 0.855 325 S CB 2.091 65.162 63.200 -0.215 0.000 1.136 325 S HN 0.638 nan 8.310 nan 0.000 0.484 326 Q N 0.289 119.453 119.800 -1.061 0.000 2.394 326 Q HA 0.525 4.865 4.340 0.000 0.000 0.248 326 Q C -0.649 175.171 176.000 -0.299 0.000 0.992 326 Q CA -0.135 55.226 55.803 -0.737 0.000 0.888 326 Q CB 0.908 29.252 28.738 -0.657 0.000 1.257 326 Q HN 0.765 nan 8.270 nan 0.000 0.462 327 S N 0.241 115.842 115.700 -0.166 0.000 2.546 327 S HA 0.389 4.860 4.470 0.000 0.000 0.274 327 S C -0.372 174.174 174.600 -0.091 0.000 1.121 327 S CA -0.184 57.948 58.200 -0.113 0.000 0.887 327 S CB 1.584 64.727 63.200 -0.095 0.000 1.094 327 S HN 0.694 nan 8.310 nan 0.000 0.474 328 S N 0.789 116.430 115.700 -0.097 0.000 2.603 328 S HA 0.168 4.638 4.470 0.000 0.000 0.232 328 S C 0.571 175.075 174.600 -0.160 0.000 1.016 328 S CA 0.387 58.524 58.200 -0.104 0.000 0.976 328 S CB -0.062 63.097 63.200 -0.068 0.000 0.921 328 S HN 0.931 nan 8.310 nan 0.000 0.516 329 T N -1.408 113.047 114.554 -0.165 0.000 3.415 329 T HA 0.638 4.989 4.350 0.000 0.000 0.282 329 T C 0.835 175.397 174.700 -0.231 0.000 1.007 329 T CA 0.017 61.997 62.100 -0.201 0.000 0.958 329 T CB -0.038 68.735 68.868 -0.159 0.000 1.171 329 T HN 1.230 nan 8.240 nan 0.000 0.500 330 G N 1.344 110.003 108.800 -0.236 0.000 2.725 330 G HA2 -0.107 3.853 3.960 0.000 0.000 0.220 330 G HA3 -0.107 3.853 3.960 0.000 0.000 0.220 330 G C -0.340 174.496 174.900 -0.106 0.000 1.357 330 G CA -0.574 44.417 45.100 -0.181 0.000 0.866 330 G HN 0.607 nan 8.290 nan 0.000 0.548 331 T N -0.187 114.331 114.554 -0.059 0.000 2.910 331 T HA 0.524 4.874 4.350 0.000 0.000 0.293 331 T C 0.173 174.843 174.700 -0.050 0.000 1.015 331 T CA 0.221 62.304 62.100 -0.029 0.000 1.094 331 T CB 1.482 70.355 68.868 0.009 0.000 0.968 331 T HN 1.208 nan 8.240 nan 0.000 0.521 332 V N 4.116 124.012 119.914 -0.030 0.000 2.488 332 V HA 0.294 4.415 4.120 0.000 0.000 0.293 332 V C -0.245 175.860 176.094 0.018 0.000 1.027 332 V CA -0.652 61.638 62.300 -0.017 0.000 0.862 332 V CB 1.505 33.312 31.823 -0.027 0.000 1.008 332 V HN 0.889 nan 8.190 nan 0.000 0.428 333 M N 4.433 124.062 119.600 0.049 0.000 2.319 333 M HA 0.385 4.865 4.480 0.000 0.000 0.343 333 M C 0.990 177.350 176.300 0.101 0.000 1.364 333 M CA 0.209 55.556 55.300 0.078 0.000 1.292 333 M CB 0.573 33.239 32.600 0.110 0.000 1.432 333 M HN 0.801 nan 8.290 nan 0.000 0.448 334 G N 1.129 109.977 108.800 0.081 0.000 2.510 334 G HA2 0.475 4.435 3.960 0.000 0.000 0.280 334 G HA3 0.475 4.435 3.960 0.000 0.000 0.280 334 G C 0.890 175.854 174.900 0.107 0.000 1.386 334 G CA -0.033 45.118 45.100 0.086 0.000 1.047 334 G HN 0.750 nan 8.290 nan 0.000 0.527 335 A N -1.349 121.538 122.820 0.111 0.000 1.948 335 A HA -0.067 4.253 4.320 0.000 0.000 0.220 335 A C 2.553 180.209 177.584 0.118 0.000 1.177 335 A CA 2.111 54.229 52.037 0.134 0.000 0.636 335 A CB -0.754 18.375 19.000 0.215 0.000 0.815 335 A HN 0.519 nan 8.150 nan 0.000 0.449 336 V N 0.342 120.318 119.914 0.103 0.000 2.282 336 V HA -0.317 3.804 4.120 0.000 0.000 0.249 336 V C 2.481 178.629 176.094 0.090 0.000 1.057 336 V CA 2.405 64.758 62.300 0.089 0.000 1.032 336 V CB -0.748 31.121 31.823 0.076 0.000 0.645 336 V HN 0.825 nan 8.190 nan 0.000 0.447 337 I N -2.854 117.790 120.570 0.124 0.000 2.716 337 I HA -0.057 4.113 4.170 0.000 0.000 0.259 337 I C 2.127 178.392 176.117 0.247 0.000 1.172 337 I CA 1.476 62.887 61.300 0.184 0.000 1.478 337 I CB -0.566 37.566 38.000 0.220 0.000 1.104 337 I HN 0.125 nan 8.210 nan 0.000 0.439 338 M N 0.656 120.378 119.600 0.203 0.000 2.296 338 M HA -0.100 4.381 4.480 0.000 0.000 0.265 338 M C 1.896 178.246 176.300 0.083 0.000 1.064 338 M CA 1.520 56.939 55.300 0.198 0.000 1.109 338 M CB -0.470 32.203 32.600 0.122 0.000 1.396 338 M HN 0.316 nan 8.290 nan 0.000 0.430 339 E N -0.165 120.046 120.200 0.017 0.000 2.409 339 E HA -0.093 4.258 4.350 0.000 0.000 0.198 339 E C 1.840 178.375 176.600 -0.108 0.000 1.024 339 E CA 0.733 57.108 56.400 -0.040 0.000 0.861 339 E CB -0.117 29.580 29.700 -0.005 0.000 0.788 339 E HN 0.595 nan 8.360 nan 0.000 0.521 340 G N -0.160 108.473 108.800 -0.278 0.000 2.939 340 G HA2 0.118 4.078 3.960 0.000 0.000 0.210 340 G HA3 0.118 4.078 3.960 0.000 0.000 0.210 340 G C 0.060 174.323 174.900 -1.061 0.000 1.160 340 G CA -0.053 44.614 45.100 -0.723 0.000 0.770 340 G HN -0.017 nan 8.290 nan 0.000 0.543 341 F N -2.305 117.677 119.950 0.054 0.000 2.643 341 F HA 0.480 5.007 4.527 0.000 0.000 0.314 341 F C -1.097 174.756 175.800 0.089 0.000 1.096 341 F CA -2.011 56.036 58.000 0.079 0.000 0.953 341 F CB 1.241 40.326 39.000 0.142 0.000 1.345 341 F HN -0.111 nan 8.300 nan 0.000 0.468 342 Y N 2.121 122.496 120.300 0.124 0.000 2.341 342 Y HA 0.673 5.223 4.550 0.000 0.000 0.340 342 Y C -1.020 174.753 175.900 -0.212 0.000 0.997 342 Y CA -1.589 56.486 58.100 -0.042 0.000 1.149 342 Y CB 0.776 39.208 38.460 -0.048 0.000 1.171 342 Y HN 0.307 nan 8.280 nan 0.000 0.494 343 V N 7.354 126.975 119.914 -0.489 0.000 2.384 343 V HA 0.363 4.484 4.120 0.000 0.000 0.287 343 V C -0.585 174.941 176.094 -0.947 0.000 1.020 343 V CA -1.025 60.774 62.300 -0.835 0.000 0.850 343 V CB 1.280 32.663 31.823 -0.732 0.000 0.987 343 V HN 0.547 nan 8.190 nan 0.000 0.436 344 V N 5.603 124.897 119.914 -1.033 0.000 2.333 344 V HA 0.384 4.505 4.120 0.000 0.000 0.274 344 V C -0.387 175.225 176.094 -0.802 0.000 1.028 344 V CA -0.301 61.523 62.300 -0.793 0.000 0.851 344 V CB 0.779 32.257 31.823 -0.576 0.000 1.000 344 V HN 0.699 nan 8.190 nan 0.000 0.456 345 F N 2.853 122.298 119.950 -0.842 0.000 2.515 345 F HA 0.259 4.786 4.527 0.000 0.000 0.353 345 F C 0.912 176.358 175.800 -0.590 0.000 1.213 345 F CA -0.599 56.855 58.000 -0.910 0.000 1.194 345 F CB 0.160 38.088 39.000 -1.788 0.000 1.488 345 F HN 0.424 nan 8.300 nan 0.000 0.619 346 D N 2.834 123.116 120.400 -0.197 0.000 2.508 346 D HA 0.084 4.724 4.640 0.000 0.000 0.224 346 D C 1.422 177.741 176.300 0.031 0.000 1.171 346 D CA 0.116 54.069 54.000 -0.077 0.000 1.006 346 D CB 0.240 40.989 40.800 -0.086 0.000 1.073 346 D HN 0.432 nan 8.370 nan 0.000 0.513 347 R N 1.694 122.254 120.500 0.099 0.000 2.096 347 R HA -0.097 4.243 4.340 0.000 0.000 0.235 347 R C 2.122 178.528 176.300 0.177 0.000 1.127 347 R CA 1.381 57.625 56.100 0.241 0.000 0.968 347 R CB -0.031 30.467 30.300 0.331 0.000 0.861 347 R HN 0.365 nan 8.270 nan 0.000 0.440 348 A N 1.234 124.129 122.820 0.125 0.000 1.908 348 A HA -0.155 4.165 4.320 0.000 0.000 0.218 348 A C 1.700 179.307 177.584 0.038 0.000 1.181 348 A CA 1.319 53.406 52.037 0.084 0.000 0.627 348 A CB -0.198 18.841 19.000 0.064 0.000 0.818 348 A HN 0.221 nan 8.150 nan 0.000 0.445 349 R N -1.354 119.147 120.500 0.002 0.000 2.552 349 R HA 0.211 4.552 4.340 0.000 0.000 0.314 349 R C -0.019 176.274 176.300 -0.012 0.000 1.041 349 R CA 0.123 56.200 56.100 -0.037 0.000 1.076 349 R CB 0.017 30.244 30.300 -0.122 0.000 1.290 349 R HN 0.489 nan 8.270 nan 0.000 0.563 350 K N 2.166 122.594 120.400 0.046 0.000 3.311 350 K HA -0.253 4.067 4.320 0.000 0.000 0.270 350 K C -0.965 175.688 176.600 0.089 0.000 0.927 350 K CA 0.871 57.208 56.287 0.084 0.000 0.706 350 K CB -0.607 31.923 32.500 0.051 0.000 1.418 350 K HN 0.469 nan 8.250 nan 0.000 0.459 351 R N -0.092 120.457 120.500 0.082 0.000 2.734 351 R HA 0.636 4.976 4.340 0.000 0.000 0.271 351 R C -0.923 175.434 176.300 0.094 0.000 1.021 351 R CA -1.168 54.995 56.100 0.104 0.000 0.893 351 R CB 1.132 31.459 30.300 0.043 0.000 1.244 351 R HN 0.084 nan 8.270 nan 0.000 0.464 352 I N 1.104 121.748 120.570 0.124 0.000 2.447 352 I HA 0.426 4.597 4.170 0.000 0.000 0.287 352 I C -0.028 176.032 176.117 -0.094 0.000 1.023 352 I CA -0.890 60.328 61.300 -0.137 0.000 1.083 352 I CB 2.256 40.110 38.000 -0.244 0.000 1.245 352 I HN 0.880 nan 8.210 nan 0.000 0.434 353 G N 5.312 113.850 108.800 -0.438 0.000 2.389 353 G HA2 0.726 4.687 3.960 0.000 0.000 0.328 353 G HA3 0.726 4.687 3.960 0.000 0.000 0.328 353 G C -1.287 173.095 174.900 -0.864 0.000 1.133 353 G CA -0.196 44.421 45.100 -0.805 0.000 0.891 353 G HN 0.331 nan 8.290 nan 0.000 0.485 354 F N 0.142 119.759 119.950 -0.554 0.000 2.565 354 F HA 0.759 5.286 4.527 0.000 0.000 0.313 354 F C 0.351 175.969 175.800 -0.303 0.000 1.091 354 F CA -0.650 57.116 58.000 -0.389 0.000 0.915 354 F CB 2.781 41.566 39.000 -0.360 0.000 1.208 354 F HN 0.732 nan 8.300 nan 0.000 0.453 355 A N 1.213 124.057 122.820 0.040 0.000 2.574 355 A HA 0.701 5.021 4.320 0.000 0.000 0.297 355 A C -1.487 176.318 177.584 0.369 0.000 1.062 355 A CA -0.835 51.277 52.037 0.126 0.000 0.686 355 A CB 1.046 19.961 19.000 -0.141 0.000 1.285 355 A HN 0.479 nan 8.150 nan 0.000 0.403 356 V N 1.783 121.914 119.914 0.361 0.000 2.557 356 V HA 0.202 4.322 4.120 0.000 0.000 0.301 356 V C 1.245 177.495 176.094 0.260 0.000 1.026 356 V CA 0.599 63.063 62.300 0.273 0.000 1.137 356 V CB 1.090 33.001 31.823 0.148 0.000 0.917 356 V HN 0.945 nan 8.190 nan 0.000 0.484 357 S N 4.133 119.934 115.700 0.168 0.000 2.548 357 S HA 0.380 4.850 4.470 0.000 0.000 0.277 357 S C 1.250 175.969 174.600 0.200 0.000 1.315 357 S CA -0.163 58.149 58.200 0.186 0.000 1.050 357 S CB 1.224 64.488 63.200 0.107 0.000 0.918 357 S HN 0.998 nan 8.310 nan 0.000 0.497 358 A N 3.284 126.163 122.820 0.099 0.000 2.209 358 A HA 0.014 4.334 4.320 0.000 0.000 0.212 358 A C 1.730 179.310 177.584 -0.007 0.000 1.158 358 A CA 1.029 53.086 52.037 0.032 0.000 0.742 358 A CB -1.020 17.965 19.000 -0.024 0.000 0.790 358 A HN 1.250 nan 8.150 nan 0.000 0.472 359 c N -1.231 117.371 118.600 0.004 0.000 2.976 359 c HA 0.519 5.090 4.570 0.000 0.000 0.274 359 c C 0.604 174.677 174.090 -0.029 0.000 1.487 359 c CA -0.328 55.982 56.329 -0.031 0.000 1.789 359 c CB -2.326 40.165 42.510 -0.032 0.000 2.771 359 c HN 0.665 nan 8.230 nan 0.000 0.551 360 H N -0.032 119.007 119.070 -0.050 0.000 2.582 360 H HA 0.634 5.190 4.556 0.000 0.000 0.345 360 H C -0.389 174.941 175.328 0.003 0.000 1.104 360 H CA -0.577 55.421 56.048 -0.084 0.000 1.390 360 H CB 0.557 30.210 29.762 -0.181 0.000 1.461 360 H HN 0.125 nan 8.280 nan 0.000 0.551 361 V N 5.675 125.569 119.914 -0.033 0.000 2.686 361 V HA 0.228 4.348 4.120 0.000 0.000 0.295 361 V C 0.519 176.598 176.094 -0.025 0.000 1.055 361 V CA 0.161 62.398 62.300 -0.104 0.000 1.050 361 V CB 0.154 31.889 31.823 -0.148 0.000 0.984 361 V HN 1.127 nan 8.190 nan 0.000 0.482 362 H N 2.248 121.137 119.070 -0.301 0.000 3.001 362 H HA 0.607 5.163 4.556 0.000 0.000 0.266 362 H C -1.520 173.625 175.328 -0.304 0.000 1.532 362 H CA -0.750 55.134 56.048 -0.272 0.000 1.187 362 H CB 1.383 31.074 29.762 -0.118 0.000 1.881 362 H HN 0.655 nan 8.280 nan 0.000 0.643 363 D N -1.535 118.728 120.400 -0.230 0.000 2.714 363 D HA 0.152 4.792 4.640 0.000 0.000 0.278 363 D C 0.723 176.917 176.300 -0.175 0.000 1.102 363 D CA -0.399 53.438 54.000 -0.272 0.000 1.108 363 D CB 0.989 41.686 40.800 -0.172 0.000 1.444 363 D HN 0.706 nan 8.370 nan 0.000 0.568 364 E N -0.856 119.134 120.200 -0.350 0.000 2.478 364 E HA -0.026 4.324 4.350 0.000 0.000 0.198 364 E C 0.571 176.906 176.600 -0.442 0.000 1.046 364 E CA 0.743 56.880 56.400 -0.438 0.000 0.870 364 E CB -0.476 28.843 29.700 -0.634 0.000 0.818 364 E HN 0.486 nan 8.360 nan 0.000 0.527 365 F N 0.556 120.542 119.950 0.060 0.000 2.694 365 F HA 0.368 4.895 4.527 0.000 0.000 0.292 365 F C 1.068 176.907 175.800 0.066 0.000 1.121 365 F CA -0.458 57.578 58.000 0.060 0.000 1.352 365 F CB 0.586 39.621 39.000 0.058 0.000 1.107 365 F HN -0.227 nan 8.300 nan 0.000 0.597 366 R N -0.385 120.246 120.500 0.218 0.000 2.774 366 R HA 0.582 4.922 4.340 0.000 0.000 0.272 366 R C -0.921 175.455 176.300 0.128 0.000 1.000 366 R CA -0.659 55.533 56.100 0.154 0.000 0.906 366 R CB 2.167 32.554 30.300 0.145 0.000 1.227 366 R HN -0.037 nan 8.270 nan 0.000 0.468 367 T N -2.103 112.490 114.554 0.065 0.000 2.883 367 T HA 0.711 5.061 4.350 0.000 0.000 0.301 367 T C -0.211 174.461 174.700 -0.047 0.000 1.158 367 T CA -0.915 61.198 62.100 0.022 0.000 1.007 367 T CB 1.832 70.640 68.868 -0.100 0.000 1.186 367 T HN 0.662 nan 8.240 nan 0.000 0.499 368 A N 0.838 123.497 122.820 -0.268 0.000 2.386 368 A HA 0.803 5.123 4.320 0.000 0.000 0.246 368 A C 0.520 177.985 177.584 -0.197 0.000 1.089 368 A CA -0.071 51.729 52.037 -0.395 0.000 0.790 368 A CB -0.490 17.943 19.000 -0.944 0.000 1.042 368 A HN 1.905 nan 8.150 nan 0.000 0.497 369 A N -0.343 122.492 122.820 0.024 0.000 2.606 369 A HA 0.643 4.963 4.320 0.000 0.000 0.293 369 A C -1.360 176.314 177.584 0.151 0.000 1.082 369 A CA -0.385 51.704 52.037 0.086 0.000 0.685 369 A CB 1.371 20.389 19.000 0.030 0.000 1.284 369 A HN 1.437 nan 8.150 nan 0.000 0.408 370 V N 1.662 121.625 119.914 0.081 0.000 2.447 370 V HA 0.558 4.679 4.120 0.000 0.000 0.292 370 V C -0.575 175.441 176.094 -0.129 0.000 1.021 370 V CA -0.276 62.002 62.300 -0.036 0.000 0.850 370 V CB 1.180 33.030 31.823 0.045 0.000 1.005 370 V HN 0.970 nan 8.190 nan 0.000 0.426 371 E N 2.383 122.413 120.200 -0.283 0.000 2.408 371 E HA 0.897 5.247 4.350 0.000 0.000 0.275 371 E C -0.096 176.120 176.600 -0.641 0.000 0.935 371 E CA -0.790 55.403 56.400 -0.344 0.000 0.775 371 E CB 3.003 32.656 29.700 -0.078 0.000 1.277 371 E HN 0.888 nan 8.360 nan 0.000 0.455 372 G N 0.864 109.168 108.800 -0.828 0.000 2.320 372 G HA2 0.358 4.318 3.960 0.000 0.000 0.296 372 G HA3 0.358 4.318 3.960 0.000 0.000 0.296 372 G C -2.991 171.594 174.900 -0.525 0.000 1.306 372 G CA -0.743 43.712 45.100 -1.076 0.000 0.836 372 G HN 0.387 nan 8.290 nan 0.000 0.517 373 P HA 0.796 nan 4.420 nan 0.000 0.284 373 P C -1.569 175.379 177.300 -0.586 0.000 1.287 373 P CA -0.544 62.402 63.100 -0.256 0.000 0.824 373 P CB 1.399 33.203 31.700 0.173 0.000 1.180 374 F N -1.468 118.527 119.950 0.075 0.000 2.561 374 F HA 0.232 4.760 4.527 0.001 0.000 0.313 374 F C 0.020 175.862 175.800 0.069 0.000 1.126 374 F CA -1.043 57.002 58.000 0.076 0.000 0.918 374 F CB 1.933 41.004 39.000 0.118 0.000 1.199 374 F HN -0.099 nan 8.300 nan 0.000 0.444 375 V N 2.960 122.999 119.914 0.208 0.000 2.446 375 V HA 0.301 4.421 4.120 0.000 0.000 0.276 375 V C -0.136 176.025 176.094 0.111 0.000 1.030 375 V CA 0.329 62.709 62.300 0.132 0.000 1.033 375 V CB 0.383 32.260 31.823 0.089 0.000 0.993 375 V HN 0.828 nan 8.190 nan 0.000 0.477 376 T N 6.693 121.303 114.554 0.094 0.000 2.881 376 T HA 0.650 5.000 4.350 0.000 0.000 0.290 376 T C -0.452 174.273 174.700 0.043 0.000 1.000 376 T CA -0.530 61.600 62.100 0.050 0.000 0.978 376 T CB 1.502 70.397 68.868 0.045 0.000 0.997 376 T HN 0.296 nan 8.240 nan 0.000 0.443 377 L N 1.596 122.833 121.223 0.022 0.000 2.358 377 L HA 0.505 4.845 4.340 0.000 0.000 0.268 377 L C 0.087 176.967 176.870 0.016 0.000 1.032 377 L CA -1.059 53.794 54.840 0.022 0.000 0.805 377 L CB 0.617 42.684 42.059 0.014 0.000 1.253 377 L HN 0.673 nan 8.230 nan 0.000 0.452 378 D N 1.379 121.790 120.400 0.018 0.000 2.692 378 D HA -0.223 4.417 4.640 0.000 0.000 0.233 378 D C 1.097 177.409 176.300 0.021 0.000 1.172 378 D CA 0.787 54.797 54.000 0.016 0.000 0.636 378 D CB -0.374 40.430 40.800 0.006 0.000 1.028 378 D HN 0.597 nan 8.370 nan 0.000 0.419 379 M N -0.406 119.213 119.600 0.031 0.000 2.175 379 M HA -0.141 4.339 4.480 0.000 0.000 0.264 379 M C 2.054 178.380 176.300 0.044 0.000 1.063 379 M CA 1.342 56.666 55.300 0.039 0.000 1.119 379 M CB -0.137 32.493 32.600 0.050 0.000 1.377 379 M HN 0.051 nan 8.290 nan 0.000 0.415 380 E N 0.481 120.706 120.200 0.042 0.000 2.267 380 E HA -0.185 4.165 4.350 0.000 0.000 0.197 380 E C 1.091 177.713 176.600 0.037 0.000 0.998 380 E CA 0.760 57.185 56.400 0.042 0.000 0.830 380 E CB -0.136 29.584 29.700 0.033 0.000 0.751 380 E HN 0.498 nan 8.360 nan 0.000 0.491 381 D N -0.226 120.190 120.400 0.028 0.000 2.347 381 D HA -0.054 4.586 4.640 0.000 0.000 0.215 381 D C 1.386 177.706 176.300 0.034 0.000 0.976 381 D CA 0.410 54.423 54.000 0.021 0.000 0.884 381 D CB 0.008 40.813 40.800 0.008 0.000 0.915 381 D HN 0.246 nan 8.370 nan 0.000 0.526 382 c N 0.936 119.564 118.600 0.048 0.000 2.481 382 c HA 0.160 4.730 4.570 0.000 0.000 0.275 382 c C 1.644 175.798 174.090 0.106 0.000 1.419 382 c CA -0.339 56.029 56.329 0.065 0.000 1.773 382 c CB -0.968 41.587 42.510 0.075 0.000 1.862 382 c HN 0.196 nan 8.230 nan 0.000 0.530 383 G N -0.884 107.979 108.800 0.105 0.000 2.403 383 G HA2 0.390 4.350 3.960 0.000 0.000 0.259 383 G HA3 0.390 4.350 3.960 0.000 0.000 0.259 383 G C -0.875 174.127 174.900 0.171 0.000 1.244 383 G CA 0.008 45.194 45.100 0.143 0.000 0.849 383 G HN 0.405 nan 8.290 nan 0.000 0.532 384 Y N 2.657 123.020 120.300 0.105 0.000 2.301 384 Y HA 0.384 4.934 4.550 0.000 0.000 0.325 384 Y C 0.364 176.324 175.900 0.100 0.000 1.203 384 Y CA -0.497 57.674 58.100 0.118 0.000 1.255 384 Y CB 0.878 39.453 38.460 0.193 0.000 1.232 384 Y HN 0.510 nan 8.280 nan 0.000 0.501 385 N N 0.000 118.261 118.700 -0.732 0.000 1.763 385 N HA 0.000 4.740 4.740 0.000 0.000 0.220 385 N CA 0.000 52.749 53.050 -0.502 0.000 0.885 385 N CB 0.000 38.327 38.487 -0.266 0.000 1.341 385 N HN 0.000 nan 8.380 nan 0.000 0.667