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 2wjo_1_A 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 LFSLQLcGAX XXXXXXXXLA SVGGSMIIGG IDHSLYTGSL WYTPIRREWY DATA SEQUENCE YEVIIVRVEI NGQDLKMDcK EYNYDKSIVD SGTTNLRLPK KVFEAAVKSI DATA SEQUENCE KAASSTEKFP DGFWLGEQLV cWQAGTTPWN IFPVISLYLM GEVTNQSFRI DATA SEQUENCE TILPQQYLRP VEDVATSQDD cYKFAISQSS TGTVMGAVIM EGFYVVFDRA DATA SEQUENCE RKRIGFAVSA cHVHDEFRTA AVEGPFVTLD MEDcGYNIPQ 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 0.000 175.819 175.800 0.032 0.000 0.967 -1 F CA 0.000 58.032 58.000 0.054 0.000 1.383 -1 F CB 0.000 39.032 39.000 0.053 0.000 1.145 0 V N 1.579 121.228 119.914 -0.441 0.000 2.346 0 V HA -0.151 3.969 4.120 0.001 0.000 0.244 0 V C 1.992 178.044 176.094 -0.070 0.000 1.037 0 V CA 2.247 64.334 62.300 -0.356 0.000 1.029 0 V CB -0.956 30.575 31.823 -0.486 0.000 0.663 0 V HN 0.733 nan 8.190 nan 0.000 0.454 1 E N 0.601 120.839 120.200 0.064 0.000 2.171 1 E HA -0.275 4.075 4.350 0.001 0.000 0.197 1 E C 2.029 178.699 176.600 0.116 0.000 0.997 1 E CA 1.840 58.306 56.400 0.109 0.000 0.810 1 E CB -0.440 29.351 29.700 0.152 0.000 0.738 1 E HN 0.549 nan 8.360 nan 0.000 0.467 2 M N 1.099 120.761 119.600 0.104 0.000 2.388 2 M HA 0.054 4.535 4.480 0.001 0.000 0.265 2 M C 0.462 176.787 176.300 0.043 0.000 1.088 2 M CA 0.124 55.486 55.300 0.102 0.000 1.134 2 M CB 0.424 33.100 32.600 0.128 0.000 1.384 2 M HN -0.097 nan 8.290 nan 0.000 0.447 3 V N 2.825 122.736 119.914 -0.004 0.000 2.644 3 V HA -0.160 3.960 4.120 0.001 0.000 0.305 3 V C 0.536 176.598 176.094 -0.053 0.000 1.053 3 V CA 1.050 63.322 62.300 -0.047 0.000 1.186 3 V CB 0.026 31.787 31.823 -0.105 0.000 0.895 3 V HN 0.594 nan 8.190 nan 0.000 0.490 4 D N 3.109 123.477 120.400 -0.053 0.000 3.017 4 D HA -0.168 4.473 4.640 0.001 0.000 0.220 4 D C 0.906 177.156 176.300 -0.082 0.000 1.141 4 D CA 1.123 55.085 54.000 -0.064 0.000 0.848 4 D CB -0.926 39.829 40.800 -0.075 0.000 1.102 4 D HN 0.890 nan 8.370 nan 0.000 0.427 5 N N 0.123 118.789 118.700 -0.057 0.000 2.322 5 N HA 0.023 4.763 4.740 0.001 0.000 0.194 5 N C 0.359 175.842 175.510 -0.045 0.000 1.126 5 N CA 0.100 53.112 53.050 -0.063 0.000 0.845 5 N CB 0.034 38.535 38.487 0.025 0.000 0.976 5 N HN 0.379 nan 8.380 nan 0.000 0.475 6 L N 0.784 121.978 121.223 -0.049 0.000 2.307 6 L HA 0.523 4.863 4.340 0.001 0.000 0.284 6 L C 0.106 176.911 176.870 -0.109 0.000 1.023 6 L CA -0.666 54.141 54.840 -0.054 0.000 0.810 6 L CB 1.493 43.555 42.059 0.004 0.000 1.231 6 L HN -0.041 nan 8.230 nan 0.000 0.423 7 R N 1.344 121.628 120.500 -0.360 0.000 2.922 7 R HA 0.911 5.251 4.340 0.001 0.000 0.256 7 R C -0.345 175.464 176.300 -0.818 0.000 1.138 7 R CA -0.817 54.981 56.100 -0.504 0.000 0.995 7 R CB 1.975 31.991 30.300 -0.473 0.000 1.226 7 R HN 0.803 nan 8.270 nan 0.000 0.481 8 G N 0.366 108.896 108.800 -0.449 0.000 2.324 8 G HA2 0.255 4.216 3.960 0.001 0.000 0.293 8 G HA3 0.255 4.216 3.960 0.001 0.000 0.293 8 G C -1.782 173.105 174.900 -0.021 0.000 1.297 8 G CA -0.745 44.277 45.100 -0.131 0.000 0.853 8 G HN 0.231 nan 8.290 nan 0.000 0.535 9 K N 0.348 120.759 120.400 0.018 0.000 2.292 9 K HA 0.666 4.986 4.320 0.001 0.000 0.257 9 K C 0.382 176.942 176.600 -0.067 0.000 0.940 9 K CA -0.341 55.940 56.287 -0.010 0.000 0.811 9 K CB 1.736 34.251 32.500 0.024 0.000 1.120 9 K HN 0.714 nan 8.250 nan 0.000 0.428 10 S N 2.593 118.251 115.700 -0.069 0.000 2.784 10 S HA 0.139 4.610 4.470 0.001 0.000 0.322 10 S C 1.112 175.694 174.600 -0.029 0.000 1.234 10 S CA 1.552 59.716 58.200 -0.060 0.000 1.064 10 S CB -0.636 62.549 63.200 -0.026 0.000 0.787 10 S HN 0.916 nan 8.310 nan 0.000 0.506 11 G N 4.285 113.071 108.800 -0.024 0.000 2.168 11 G HA2 -0.236 3.725 3.960 0.001 0.000 0.263 11 G HA3 -0.236 3.725 3.960 0.001 0.000 0.263 11 G C 0.534 175.456 174.900 0.037 0.000 0.977 11 G CA 0.706 45.816 45.100 0.017 0.000 0.659 11 G HN 0.762 nan 8.290 nan 0.000 0.533 12 Q N -0.361 119.461 119.800 0.038 0.000 2.246 12 Q HA 0.435 4.776 4.340 0.001 0.000 0.222 12 Q C 1.136 177.289 176.000 0.255 0.000 0.851 12 Q CA 0.532 56.417 55.803 0.137 0.000 0.945 12 Q CB 1.562 30.364 28.738 0.106 0.000 1.122 12 Q HN 1.750 nan 8.270 nan 0.000 0.508 13 G N 0.994 109.844 108.800 0.083 0.000 2.650 13 G HA2 -0.181 3.780 3.960 0.001 0.000 0.686 13 G HA3 -0.181 3.780 3.960 0.001 0.000 0.686 13 G C -1.457 173.438 174.900 -0.009 0.000 1.205 13 G CA -0.999 44.133 45.100 0.054 0.000 0.781 13 G HN 0.112 nan 8.290 nan 0.000 0.648 14 Y N 0.460 120.777 120.300 0.029 0.000 2.323 14 Y HA 0.643 5.193 4.550 0.001 0.000 0.331 14 Y C 0.803 176.700 175.900 -0.005 0.000 1.092 14 Y CA 0.096 58.178 58.100 -0.030 0.000 1.150 14 Y CB 1.495 39.924 38.460 -0.052 0.000 1.200 14 Y HN 0.773 nan 8.280 nan 0.000 0.472 15 Y N 0.273 120.653 120.300 0.133 0.000 2.545 15 Y HA 0.799 5.350 4.550 0.000 0.000 0.348 15 Y C -1.628 174.317 175.900 0.076 0.000 1.002 15 Y CA -1.694 56.446 58.100 0.066 0.000 1.039 15 Y CB 0.734 39.258 38.460 0.108 0.000 1.271 15 Y HN 0.408 nan 8.280 nan 0.000 0.467 16 V N 1.972 122.018 119.914 0.220 0.000 2.919 16 V HA 0.410 4.530 4.120 0.001 0.000 0.316 16 V C -0.761 175.455 176.094 0.204 0.000 1.077 16 V CA -0.896 61.489 62.300 0.142 0.000 0.977 16 V CB 1.855 33.708 31.823 0.049 0.000 1.039 16 V HN 0.972 nan 8.190 nan 0.000 0.441 17 E N 4.467 124.777 120.200 0.183 0.000 2.259 17 E HA 0.552 4.902 4.350 0.001 0.000 0.281 17 E C -0.974 175.683 176.600 0.096 0.000 1.027 17 E CA -0.347 56.156 56.400 0.171 0.000 0.838 17 E CB 1.053 30.878 29.700 0.209 0.000 1.066 17 E HN 0.646 nan 8.360 nan 0.000 0.401 18 M N 2.065 121.704 119.600 0.065 0.000 2.593 18 M HA 0.321 4.801 4.480 0.001 0.000 0.290 18 M C -0.578 175.736 176.300 0.025 0.000 1.244 18 M CA -0.906 54.402 55.300 0.013 0.000 0.857 18 M CB 2.512 35.090 32.600 -0.037 0.000 1.738 18 M HN 0.555 nan 8.290 nan 0.000 0.461 19 T N -0.369 114.190 114.554 0.009 0.000 2.908 19 T HA 0.871 5.221 4.350 0.001 0.000 0.290 19 T C -0.830 173.880 174.700 0.017 0.000 1.034 19 T CA -0.777 61.333 62.100 0.016 0.000 1.010 19 T CB 1.841 70.718 68.868 0.014 0.000 1.068 19 T HN 0.833 nan 8.240 nan 0.000 0.481 20 V N -1.258 118.664 119.914 0.013 0.000 2.932 20 V HA 0.911 5.031 4.120 0.001 0.000 0.307 20 V C 0.121 176.252 176.094 0.062 0.000 1.147 20 V CA 0.360 62.660 62.300 0.000 0.000 0.951 20 V CB 0.880 32.616 31.823 -0.146 0.000 1.031 20 V HN 2.270 nan 8.190 nan 0.000 0.426 21 G N 3.429 112.299 108.800 0.117 0.000 2.795 21 G HA2 0.207 4.168 3.960 0.001 0.000 0.664 21 G HA3 0.207 4.168 3.960 0.001 0.000 0.664 21 G C -0.388 174.581 174.900 0.115 0.000 1.381 21 G CA -0.283 44.926 45.100 0.182 0.000 0.853 21 G HN 2.197 nan 8.290 nan 0.000 0.545 22 S N 2.162 117.928 115.700 0.109 0.000 2.647 22 S HA 0.751 5.221 4.470 0.001 0.000 0.300 22 S C -2.301 172.334 174.600 0.059 0.000 1.129 22 S CA -0.828 57.414 58.200 0.071 0.000 1.029 22 S CB 2.842 66.079 63.200 0.061 0.000 1.007 22 S HN 0.822 nan 8.310 nan 0.000 0.484 23 P HA 0.358 nan 4.420 nan 0.000 0.276 23 P C -2.925 174.402 177.300 0.045 0.000 1.261 23 P CA -1.972 61.150 63.100 0.037 0.000 0.800 23 P CB -0.843 30.870 31.700 0.022 0.000 1.066 24 P HA -0.007 nan 4.420 nan 0.000 0.258 24 P C -0.462 176.859 177.300 0.035 0.000 1.172 24 P CA 0.899 64.021 63.100 0.037 0.000 0.762 24 P CB 0.023 31.736 31.700 0.022 0.000 0.764 25 Q N 1.756 121.584 119.800 0.047 0.000 2.325 25 Q HA 0.291 4.631 4.340 0.001 0.000 0.262 25 Q C -0.154 175.863 176.000 0.028 0.000 0.968 25 Q CA -0.445 55.382 55.803 0.040 0.000 0.877 25 Q CB 1.152 29.941 28.738 0.083 0.000 1.253 25 Q HN 0.356 nan 8.270 nan 0.000 0.448 26 T N 3.875 118.442 114.554 0.023 0.000 2.817 26 T HA 0.526 4.876 4.350 0.001 0.000 0.293 26 T C -0.169 174.551 174.700 0.032 0.000 0.964 26 T CA -0.255 61.863 62.100 0.030 0.000 1.085 26 T CB 0.313 69.201 68.868 0.033 0.000 0.921 26 T HN 0.339 nan 8.240 nan 0.000 0.502 27 L N 2.982 124.231 121.223 0.043 0.000 2.424 27 L HA 0.474 4.814 4.340 0.001 0.000 0.258 27 L C -0.227 176.685 176.870 0.069 0.000 0.995 27 L CA -1.117 53.751 54.840 0.046 0.000 0.821 27 L CB 2.184 44.265 42.059 0.037 0.000 1.383 27 L HN 0.525 nan 8.230 nan 0.000 0.410 28 N N 1.838 120.569 118.700 0.053 0.000 2.455 28 N HA 0.543 5.283 4.740 0.001 0.000 0.280 28 N C -1.161 174.420 175.510 0.118 0.000 1.055 28 N CA -0.506 52.590 53.050 0.077 0.000 0.961 28 N CB 1.256 39.638 38.487 -0.174 0.000 1.121 28 N HN 0.255 nan 8.380 nan 0.000 0.476 29 I N 2.817 123.487 120.570 0.167 0.000 2.433 29 I HA 0.241 4.411 4.170 0.001 0.000 0.292 29 I C -0.193 175.963 176.117 0.065 0.000 1.001 29 I CA -0.819 60.554 61.300 0.120 0.000 1.119 29 I CB 1.443 39.510 38.000 0.112 0.000 1.289 29 I HN 0.447 nan 8.210 nan 0.000 0.438 30 L N 7.437 128.571 121.223 -0.149 0.000 2.410 30 L HA 0.271 4.612 4.340 0.001 0.000 0.273 30 L C -0.371 176.381 176.870 -0.197 0.000 1.152 30 L CA 0.121 54.759 54.840 -0.338 0.000 0.855 30 L CB 0.913 42.348 42.059 -1.041 0.000 1.129 30 L HN 0.332 nan 8.230 nan 0.000 0.463 31 V N 4.991 124.837 119.914 -0.114 0.000 2.408 31 V HA 0.261 4.381 4.120 0.001 0.000 0.267 31 V C -0.442 175.582 176.094 -0.117 0.000 1.047 31 V CA -0.138 62.094 62.300 -0.112 0.000 0.937 31 V CB 0.970 32.749 31.823 -0.073 0.000 0.999 31 V HN 0.803 nan 8.190 nan 0.000 0.472 32 D N 3.075 123.396 120.400 -0.133 0.000 2.402 32 D HA 0.225 4.865 4.640 0.001 0.000 0.252 32 D C 0.955 177.199 176.300 -0.094 0.000 1.294 32 D CA -0.166 53.775 54.000 -0.100 0.000 0.948 32 D CB 1.882 42.626 40.800 -0.094 0.000 1.202 32 D HN 0.566 nan 8.370 nan 0.000 0.561 33 T N -0.146 114.349 114.554 -0.099 0.000 3.148 33 T HA 0.153 4.503 4.350 0.001 0.000 0.253 33 T C 1.504 176.259 174.700 0.091 0.000 1.134 33 T CA 0.411 62.456 62.100 -0.092 0.000 1.051 33 T CB 0.186 68.816 68.868 -0.397 0.000 0.959 33 T HN 0.294 nan 8.240 nan 0.000 0.525 34 G N 0.854 109.693 108.800 0.064 0.000 3.189 34 G HA2 0.427 4.387 3.960 0.001 0.000 0.225 34 G HA3 0.427 4.387 3.960 0.001 0.000 0.225 34 G C 0.336 175.260 174.900 0.041 0.000 1.159 34 G CA 0.148 45.324 45.100 0.127 0.000 0.763 34 G HN 0.790 nan 8.290 nan 0.000 0.549 35 S N -1.896 113.785 115.700 -0.032 0.000 2.705 35 S HA 0.635 5.105 4.470 0.001 0.000 0.280 35 S C 0.027 174.594 174.600 -0.055 0.000 1.174 35 S CA -0.006 58.154 58.200 -0.067 0.000 0.823 35 S CB 1.721 64.915 63.200 -0.011 0.000 1.162 35 S HN -0.003 nan 8.310 nan 0.000 0.487 36 S N 0.072 115.759 115.700 -0.021 0.000 2.847 36 S HA 0.370 4.840 4.470 0.001 0.000 0.254 36 S C -0.350 174.310 174.600 0.100 0.000 1.039 36 S CA -0.463 57.748 58.200 0.019 0.000 1.113 36 S CB -0.371 62.825 63.200 -0.007 0.000 1.092 36 S HN 0.687 nan 8.310 nan 0.000 0.620 37 N N 1.117 119.901 118.700 0.141 0.000 2.466 37 N HA 0.523 5.264 4.740 0.001 0.000 0.294 37 N C -1.372 174.279 175.510 0.234 0.000 1.129 37 N CA -0.488 52.690 53.050 0.213 0.000 0.931 37 N CB 1.025 39.696 38.487 0.306 0.000 1.193 37 N HN 0.270 nan 8.380 nan 0.000 0.500 38 F N 1.652 121.638 119.950 0.059 0.000 2.332 38 F HA 0.681 5.209 4.527 0.001 0.000 0.368 38 F C -0.622 175.140 175.800 -0.063 0.000 1.110 38 F CA -0.629 57.357 58.000 -0.024 0.000 1.087 38 F CB 0.335 39.330 39.000 -0.008 0.000 1.235 38 F HN 0.444 nan 8.300 nan 0.000 0.470 39 A N 5.741 128.275 122.820 -0.477 0.000 2.414 39 A HA 0.821 5.141 4.320 0.001 0.000 0.306 39 A C -1.410 175.833 177.584 -0.569 0.000 1.054 39 A CA -0.518 51.129 52.037 -0.650 0.000 0.724 39 A CB 1.731 20.114 19.000 -1.028 0.000 1.267 39 A HN 1.022 nan 8.150 nan 0.000 0.418 40 V N -0.821 118.829 119.914 -0.440 0.000 3.087 40 V HA 0.909 5.029 4.120 0.001 0.000 0.306 40 V C 0.285 176.386 176.094 0.011 0.000 1.187 40 V CA -0.286 61.904 62.300 -0.183 0.000 0.999 40 V CB 1.216 32.866 31.823 -0.288 0.000 1.049 40 V HN 1.723 nan 8.190 nan 0.000 0.431 41 G N 1.290 110.172 108.800 0.135 0.000 2.340 41 G HA2 0.540 4.501 3.960 0.001 0.000 0.245 41 G HA3 0.540 4.501 3.960 0.001 0.000 0.245 41 G C 0.477 175.472 174.900 0.159 0.000 1.294 41 G CA 0.162 45.330 45.100 0.114 0.000 0.896 41 G HN 2.012 nan 8.290 nan 0.000 0.522 42 A N 1.364 124.272 122.820 0.147 0.000 2.616 42 A HA 0.791 5.112 4.320 0.001 0.000 0.294 42 A C 0.575 178.251 177.584 0.152 0.000 1.091 42 A CA 0.638 52.797 52.037 0.203 0.000 0.971 42 A CB 0.038 19.108 19.000 0.118 0.000 1.222 42 A HN 1.967 nan 8.150 nan 0.000 0.521 43 A N 0.013 122.781 122.820 -0.088 0.000 2.608 43 A HA 0.745 5.066 4.320 0.001 0.000 0.292 43 A C -3.353 173.685 177.584 -0.911 0.000 1.066 43 A CA -1.276 50.507 52.037 -0.423 0.000 0.676 43 A CB 0.497 19.408 19.000 -0.148 0.000 1.277 43 A HN 0.031 nan 8.150 nan 0.000 0.413 44 P HA 0.283 nan 4.420 nan 0.000 0.267 44 P C -0.801 176.309 177.300 -0.316 0.000 1.200 44 P CA 0.553 63.222 63.100 -0.718 0.000 0.772 44 P CB 0.227 31.701 31.700 -0.376 0.000 0.855 45 H N 2.273 121.138 119.070 -0.341 0.000 3.029 45 H HA 0.202 4.759 4.556 0.001 0.000 0.358 45 H C -2.171 173.023 175.328 -0.223 0.000 1.129 45 H CA -1.702 54.188 56.048 -0.262 0.000 1.230 45 H CB 2.074 31.663 29.762 -0.289 0.000 1.827 45 H HN 0.120 nan 8.280 nan 0.000 0.530 46 P HA -0.076 nan 4.420 nan 0.000 0.217 46 P C 0.912 178.262 177.300 0.083 0.000 1.148 46 P CA 1.391 64.339 63.100 -0.253 0.000 0.828 46 P CB 0.014 31.407 31.700 -0.512 0.000 0.783 47 F N -2.047 117.995 119.950 0.155 0.000 2.693 47 F HA 0.198 4.726 4.527 0.001 0.000 0.303 47 F C 0.852 176.456 175.800 -0.327 0.000 1.097 47 F CA -0.603 57.359 58.000 -0.063 0.000 1.330 47 F CB 0.330 39.327 39.000 -0.005 0.000 1.067 47 F HN -0.209 nan 8.300 nan 0.000 0.565 48 L N 0.670 121.827 121.223 -0.110 0.000 2.296 48 L HA 0.286 4.626 4.340 0.001 0.000 0.286 48 L C 0.950 177.718 176.870 -0.169 0.000 1.023 48 L CA -0.657 54.003 54.840 -0.301 0.000 0.812 48 L CB 1.175 43.008 42.059 -0.375 0.000 1.223 48 L HN 0.093 nan 8.230 nan 0.000 0.421 49 H N 3.409 122.441 119.070 -0.064 0.000 2.512 49 H HA 0.118 4.675 4.556 0.001 0.000 0.279 49 H C 0.337 175.680 175.328 0.025 0.000 0.999 49 H CA 0.435 56.470 56.048 -0.021 0.000 1.283 49 H CB 0.358 30.093 29.762 -0.045 0.000 1.421 49 H HN 0.543 nan 8.280 nan 0.000 0.554 50 R N -1.051 119.536 120.500 0.144 0.000 2.728 50 R HA 0.331 4.671 4.340 0.001 0.000 0.274 50 R C -1.772 174.674 176.300 0.244 0.000 1.030 50 R CA -0.904 55.300 56.100 0.175 0.000 0.876 50 R CB 1.559 31.898 30.300 0.066 0.000 1.259 50 R HN 0.070 nan 8.270 nan 0.000 0.468 51 Y N -2.259 118.028 120.300 -0.022 0.000 2.705 51 Y HA 0.521 5.072 4.550 0.001 0.000 0.332 51 Y C -1.648 174.295 175.900 0.071 0.000 1.221 51 Y CA -1.641 56.454 58.100 -0.007 0.000 1.059 51 Y CB 0.848 39.285 38.460 -0.038 0.000 1.298 51 Y HN 0.551 nan 8.280 nan 0.000 0.459 52 Y N 3.303 123.624 120.300 0.036 0.000 2.531 52 Y HA 0.276 4.826 4.550 0.001 0.000 0.347 52 Y C -0.514 175.336 175.900 -0.083 0.000 1.024 52 Y CA -1.000 57.069 58.100 -0.051 0.000 1.306 52 Y CB 0.687 39.128 38.460 -0.032 0.000 1.149 52 Y HN 0.609 nan 8.280 nan 0.000 0.527 53 Q N 7.401 127.059 119.800 -0.237 0.000 2.569 53 Q HA 0.240 4.580 4.340 0.001 0.000 0.226 53 Q C 0.978 176.662 176.000 -0.526 0.000 1.136 53 Q CA -0.391 55.193 55.803 -0.365 0.000 0.947 53 Q CB 0.813 29.374 28.738 -0.295 0.000 1.218 53 Q HN 0.804 nan 8.270 nan 0.000 0.547 54 R N 1.265 121.229 120.500 -0.893 0.000 2.139 54 R HA -0.197 4.143 4.340 0.001 0.000 0.243 54 R C 2.080 178.028 176.300 -0.586 0.000 1.145 54 R CA 1.575 57.037 56.100 -1.063 0.000 0.976 54 R CB 0.115 29.538 30.300 -1.461 0.000 0.866 54 R HN 0.570 nan 8.270 nan 0.000 0.449 55 Q N 0.759 120.331 119.800 -0.379 0.000 2.488 55 Q HA -0.085 4.255 4.340 0.001 0.000 0.211 55 Q C 1.342 177.278 176.000 -0.106 0.000 0.967 55 Q CA 1.194 56.884 55.803 -0.188 0.000 0.926 55 Q CB 0.090 28.747 28.738 -0.136 0.000 0.992 55 Q HN 0.429 nan 8.270 nan 0.000 0.506 56 L N 0.439 121.590 121.223 -0.121 0.000 2.607 56 L HA 0.279 4.619 4.340 0.001 0.000 0.228 56 L C 0.649 177.514 176.870 -0.008 0.000 1.123 56 L CA -0.165 54.640 54.840 -0.058 0.000 0.890 56 L CB 0.434 42.451 42.059 -0.071 0.000 1.103 56 L HN -0.014 nan 8.230 nan 0.000 0.468 57 S N -0.507 115.200 115.700 0.012 0.000 2.456 57 S HA 0.216 4.686 4.470 0.001 0.000 0.316 57 S C 1.161 175.841 174.600 0.133 0.000 1.089 57 S CA -0.507 57.753 58.200 0.100 0.000 1.101 57 S CB 1.389 64.705 63.200 0.195 0.000 0.995 57 S HN 0.307 nan 8.310 nan 0.000 0.468 58 S N 2.821 118.582 115.700 0.102 0.000 2.453 58 S HA -0.091 4.380 4.470 0.001 0.000 0.231 58 S C 1.499 176.159 174.600 0.100 0.000 1.005 58 S CA 1.150 59.403 58.200 0.089 0.000 0.949 58 S CB -0.713 62.522 63.200 0.058 0.000 0.774 58 S HN 0.830 nan 8.310 nan 0.000 0.510 59 T N -1.973 112.653 114.554 0.121 0.000 3.107 59 T HA 0.184 4.535 4.350 0.001 0.000 0.249 59 T C 0.230 175.012 174.700 0.136 0.000 1.096 59 T CA -0.491 61.672 62.100 0.106 0.000 1.012 59 T CB -0.742 68.180 68.868 0.090 0.000 0.977 59 T HN 0.469 nan 8.240 nan 0.000 0.527 60 Y N 3.506 123.859 120.300 0.088 0.000 2.402 60 Y HA 0.447 4.997 4.550 0.000 0.000 0.333 60 Y C -0.192 175.751 175.900 0.072 0.000 1.076 60 Y CA -1.251 56.914 58.100 0.107 0.000 1.299 60 Y CB 0.428 38.946 38.460 0.096 0.000 1.197 60 Y HN -0.064 nan 8.280 nan 0.000 0.517 61 R N 5.096 125.126 120.500 -0.783 0.000 2.480 61 R HA 0.184 4.524 4.340 0.001 0.000 0.306 61 R C -1.395 174.409 176.300 -0.826 0.000 0.958 61 R CA -0.981 54.714 56.100 -0.675 0.000 0.861 61 R CB 1.336 31.481 30.300 -0.259 0.000 1.171 61 R HN 0.749 nan 8.270 nan 0.000 0.445 62 D N 2.910 122.930 120.400 -0.633 0.000 2.312 62 D HA 0.102 4.742 4.640 0.001 0.000 0.252 62 D C 0.738 176.989 176.300 -0.081 0.000 1.150 62 D CA -0.241 53.623 54.000 -0.226 0.000 0.870 62 D CB 1.143 41.950 40.800 0.011 0.000 1.153 62 D HN 0.449 nan 8.370 nan 0.000 0.457 63 L N 3.822 125.041 121.223 -0.007 0.000 2.591 63 L HA 0.142 4.483 4.340 0.001 0.000 0.228 63 L C 1.186 178.076 176.870 0.034 0.000 1.133 63 L CA -0.162 54.687 54.840 0.015 0.000 0.880 63 L CB -0.077 42.007 42.059 0.040 0.000 1.033 63 L HN 0.400 nan 8.230 nan 0.000 0.450 64 R N 0.052 120.581 120.500 0.048 0.000 3.741 64 R HA -0.214 4.126 4.340 0.001 0.000 0.292 64 R C 0.176 176.507 176.300 0.053 0.000 1.176 64 R CA 0.883 57.014 56.100 0.051 0.000 0.794 64 R CB -2.047 28.274 30.300 0.035 0.000 1.213 64 R HN 0.371 nan 8.270 nan 0.000 0.494 65 K N -0.200 120.239 120.400 0.064 0.000 2.295 65 K HA 0.643 4.963 4.320 0.001 0.000 0.239 65 K C 0.164 176.812 176.600 0.081 0.000 0.991 65 K CA -0.036 56.290 56.287 0.064 0.000 0.845 65 K CB 1.906 34.444 32.500 0.062 0.000 1.197 65 K HN 0.135 nan 8.250 nan 0.000 0.441 66 G N 0.149 108.995 108.800 0.077 0.000 2.511 66 G HA2 0.613 4.573 3.960 0.001 0.000 0.318 66 G HA3 0.613 4.573 3.960 0.001 0.000 0.318 66 G C -1.733 173.227 174.900 0.100 0.000 1.210 66 G CA -0.547 44.608 45.100 0.092 0.000 0.969 66 G HN 0.417 nan 8.290 nan 0.000 0.484 67 V N 0.238 120.226 119.914 0.125 0.000 2.808 67 V HA 0.716 4.837 4.120 0.001 0.000 0.308 67 V C -2.095 174.038 176.094 0.064 0.000 1.099 67 V CA -0.930 61.425 62.300 0.091 0.000 0.920 67 V CB 1.894 33.783 31.823 0.110 0.000 1.014 67 V HN 0.833 nan 8.190 nan 0.000 0.425 68 Y N 5.703 125.895 120.300 -0.180 0.000 2.326 68 Y HA 0.738 5.289 4.550 0.001 0.000 0.329 68 Y C -1.079 174.580 175.900 -0.402 0.000 0.973 68 Y CA -0.912 57.041 58.100 -0.244 0.000 1.162 68 Y CB 1.998 40.382 38.460 -0.127 0.000 1.147 68 Y HN 0.407 nan 8.280 nan 0.000 0.456 69 V N 9.797 129.094 119.914 -1.028 0.000 2.284 69 V HA 0.431 4.551 4.120 0.001 0.000 0.274 69 V C -2.473 173.058 176.094 -0.939 0.000 1.023 69 V CA -1.442 60.191 62.300 -1.112 0.000 0.808 69 V CB 1.088 31.942 31.823 -1.614 0.000 1.035 69 V HN 0.643 nan 8.190 nan 0.000 0.445 70 P HA 0.511 nan 4.420 nan 0.000 0.299 70 P C -1.539 175.674 177.300 -0.144 0.000 1.323 70 P CA -0.580 62.226 63.100 -0.491 0.000 0.896 70 P CB 2.418 33.795 31.700 -0.538 0.000 1.081 71 Y N 0.407 120.606 120.300 -0.167 0.000 2.790 71 Y HA 0.280 4.831 4.550 0.001 0.000 0.323 71 Y C 2.094 177.978 175.900 -0.028 0.000 1.230 71 Y CA 0.207 58.260 58.100 -0.078 0.000 1.121 71 Y CB 1.099 39.541 38.460 -0.030 0.000 1.328 71 Y HN 0.541 nan 8.280 nan 0.000 0.514 72 T N -0.396 113.767 114.554 -0.652 0.000 2.427 72 T HA -0.327 4.023 4.350 0.001 0.000 0.244 72 T C 0.601 175.240 174.700 -0.103 0.000 1.325 72 T CA 1.962 63.837 62.100 -0.373 0.000 1.173 72 T CB -0.668 67.949 68.868 -0.418 0.000 0.859 72 T HN 0.580 nan 8.240 nan 0.000 0.415 73 Q N 1.789 121.590 119.800 0.001 0.000 2.425 73 Q HA 0.508 4.848 4.340 0.001 0.000 0.254 73 Q C 0.150 176.221 176.000 0.119 0.000 1.032 73 Q CA 0.131 55.968 55.803 0.057 0.000 0.798 73 Q CB 0.495 29.272 28.738 0.065 0.000 1.210 73 Q HN 1.038 nan 8.270 nan 0.000 0.491 74 G N 2.666 111.528 108.800 0.104 0.000 2.447 74 G HA2 -0.017 3.943 3.960 0.001 0.000 0.220 74 G HA3 -0.017 3.943 3.960 0.001 0.000 0.220 74 G C -1.600 173.367 174.900 0.112 0.000 1.261 74 G CA -0.347 44.832 45.100 0.132 0.000 1.000 74 G HN 0.803 nan 8.290 nan 0.000 0.515 75 K N -1.963 118.509 120.400 0.119 0.000 3.191 75 K HA 0.571 4.891 4.320 0.001 0.000 0.325 75 K C -1.010 175.613 176.600 0.039 0.000 1.105 75 K CA -0.270 56.017 56.287 0.000 0.000 0.843 75 K CB -0.103 32.352 32.500 -0.076 0.000 1.452 75 K HN 2.150 nan 8.250 nan 0.000 0.393 76 W N 0.187 121.341 121.300 -0.244 0.000 3.033 76 W HA 0.841 5.502 4.660 0.001 0.000 0.336 76 W C -1.503 174.923 176.519 -0.156 0.000 1.173 76 W CA -0.599 56.560 57.345 -0.311 0.000 1.185 76 W CB 1.764 30.760 29.460 -0.772 0.000 1.425 76 W HN 0.768 nan 8.180 nan 0.000 0.536 77 E N 0.414 120.869 120.200 0.425 0.000 2.356 77 E HA 0.672 5.022 4.350 0.001 0.000 0.275 77 E C -0.517 176.331 176.600 0.413 0.000 0.904 77 E CA -0.569 56.038 56.400 0.345 0.000 0.757 77 E CB 2.851 32.700 29.700 0.248 0.000 1.232 77 E HN 0.813 nan 8.360 nan 0.000 0.442 78 G N 1.142 110.161 108.800 0.365 0.000 2.488 78 G HA2 0.359 4.320 3.960 0.001 0.000 0.301 78 G HA3 0.359 4.320 3.960 0.001 0.000 0.301 78 G C -1.486 173.539 174.900 0.209 0.000 1.339 78 G CA -0.766 44.492 45.100 0.265 0.000 0.803 78 G HN 0.392 nan 8.290 nan 0.000 0.482 79 E N -0.319 119.980 120.200 0.166 0.000 2.179 79 E HA 0.534 4.885 4.350 0.001 0.000 0.275 79 E C -0.668 176.037 176.600 0.174 0.000 0.945 79 E CA -0.524 55.967 56.400 0.152 0.000 0.792 79 E CB 2.189 31.967 29.700 0.129 0.000 1.125 79 E HN 0.316 nan 8.360 nan 0.000 0.397 80 L N 1.758 123.079 121.223 0.164 0.000 2.357 80 L HA 0.757 5.097 4.340 0.001 0.000 0.273 80 L C 0.697 177.668 176.870 0.168 0.000 1.080 80 L CA -0.203 54.736 54.840 0.165 0.000 0.803 80 L CB 1.216 43.358 42.059 0.138 0.000 1.174 80 L HN 0.679 nan 8.230 nan 0.000 0.443 81 G N -0.301 108.605 108.800 0.177 0.000 2.554 81 G HA2 0.611 4.572 3.960 0.001 0.000 0.306 81 G HA3 0.611 4.572 3.960 0.001 0.000 0.306 81 G C -1.308 173.668 174.900 0.127 0.000 1.320 81 G CA 0.076 45.249 45.100 0.122 0.000 0.800 81 G HN 0.676 nan 8.290 nan 0.000 0.481 82 T N -2.304 112.284 114.554 0.056 0.000 2.887 82 T HA 0.797 5.147 4.350 0.001 0.000 0.292 82 T C -1.419 173.365 174.700 0.139 0.000 1.087 82 T CA -0.457 61.703 62.100 0.100 0.000 1.009 82 T CB 2.888 71.784 68.868 0.047 0.000 1.203 82 T HN 0.807 nan 8.240 nan 0.000 0.518 83 D N -0.690 119.806 120.400 0.159 0.000 2.807 83 D HA 0.248 4.888 4.640 0.001 0.000 0.279 83 D C -1.092 175.290 176.300 0.135 0.000 1.247 83 D CA -0.598 53.509 54.000 0.178 0.000 0.749 83 D CB 1.295 42.275 40.800 0.300 0.000 1.264 83 D HN 0.706 nan 8.370 nan 0.000 0.421 84 L N 0.733 122.025 121.223 0.115 0.000 2.417 84 L HA 0.590 4.930 4.340 0.001 0.000 0.268 84 L C -0.086 176.836 176.870 0.087 0.000 1.158 84 L CA -0.544 54.344 54.840 0.081 0.000 0.819 84 L CB 1.078 43.174 42.059 0.062 0.000 1.112 84 L HN 0.135 nan 8.230 nan 0.000 0.458 85 V N 1.524 121.484 119.914 0.078 0.000 2.851 85 V HA 0.435 4.555 4.120 0.001 0.000 0.307 85 V C -0.471 175.657 176.094 0.055 0.000 1.129 85 V CA -0.443 61.900 62.300 0.072 0.000 0.932 85 V CB 2.120 34.001 31.823 0.097 0.000 1.024 85 V HN 0.838 nan 8.190 nan 0.000 0.426 86 S N 3.685 119.396 115.700 0.019 0.000 2.632 86 S HA 0.817 5.287 4.470 0.001 0.000 0.289 86 S C -1.159 173.433 174.600 -0.014 0.000 1.115 86 S CA -0.559 57.647 58.200 0.010 0.000 0.889 86 S CB 1.622 64.823 63.200 0.001 0.000 1.116 86 S HN 0.571 nan 8.310 nan 0.000 0.486 87 I N 3.925 124.490 120.570 -0.007 0.000 2.595 87 I HA 0.315 4.485 4.170 0.001 0.000 0.275 87 I C -1.920 174.184 176.117 -0.021 0.000 1.092 87 I CA -2.096 59.199 61.300 -0.008 0.000 1.145 87 I CB 1.788 39.794 38.000 0.009 0.000 1.276 87 I HN 0.468 nan 8.210 nan 0.000 0.497 88 P HA -0.219 nan 4.420 nan 0.000 0.220 88 P C 0.555 177.645 177.300 -0.349 0.000 1.155 88 P CA 1.694 64.668 63.100 -0.209 0.000 0.880 88 P CB -0.006 31.551 31.700 -0.238 0.000 0.790 89 H N -1.300 117.790 119.070 0.033 0.000 2.533 89 H HA 0.538 5.094 4.556 0.000 0.000 0.281 89 H C 0.969 176.325 175.328 0.046 0.000 1.238 89 H CA 0.058 56.128 56.048 0.038 0.000 1.024 89 H CB -0.024 29.758 29.762 0.033 0.000 1.604 89 H HN 0.135 nan 8.280 nan 0.000 0.531 90 G N 0.923 109.778 108.800 0.092 0.000 3.021 90 G HA2 0.299 4.259 3.960 0.001 0.000 0.290 90 G HA3 0.299 4.259 3.960 0.001 0.000 0.290 90 G C -2.797 172.146 174.900 0.071 0.000 1.291 90 G CA -1.335 43.821 45.100 0.093 0.000 0.834 90 G HN -0.097 nan 8.290 nan 0.000 0.564 91 P HA 0.059 nan 4.420 nan 0.000 0.268 91 P C -0.373 176.939 177.300 0.020 0.000 1.204 91 P CA -0.127 63.001 63.100 0.046 0.000 0.768 91 P CB 0.626 32.346 31.700 0.033 0.000 0.842 92 N N 2.322 121.031 118.700 0.016 0.000 3.027 92 N HA 0.139 4.879 4.740 0.001 0.000 0.309 92 N C -0.362 175.143 175.510 -0.008 0.000 1.222 92 N CA -0.218 52.833 53.050 0.002 0.000 1.187 92 N CB -0.255 38.236 38.487 0.005 0.000 1.458 92 N HN 0.212 nan 8.380 nan 0.000 0.535 93 V N -1.210 118.694 119.914 -0.017 0.000 3.049 93 V HA 0.579 4.699 4.120 0.001 0.000 0.309 93 V C -0.388 175.687 176.094 -0.032 0.000 1.148 93 V CA -0.729 61.550 62.300 -0.034 0.000 0.990 93 V CB 1.815 33.603 31.823 -0.059 0.000 1.039 93 V HN 0.017 nan 8.190 nan 0.000 0.430 94 T N 3.366 117.897 114.554 -0.038 0.000 2.792 94 T HA 0.715 5.065 4.350 0.001 0.000 0.280 94 T C -0.287 174.384 174.700 -0.048 0.000 0.990 94 T CA -0.242 61.843 62.100 -0.025 0.000 0.960 94 T CB 1.246 70.108 68.868 -0.011 0.000 0.939 94 T HN 1.571 nan 8.240 nan 0.000 0.439 95 V N 1.908 121.798 119.914 -0.040 0.000 2.769 95 V HA 0.785 4.905 4.120 0.001 0.000 0.312 95 V C -0.356 175.725 176.094 -0.023 0.000 1.061 95 V CA -1.555 60.696 62.300 -0.081 0.000 0.931 95 V CB 1.792 33.488 31.823 -0.212 0.000 1.010 95 V HN 0.830 nan 8.190 nan 0.000 0.433 96 R N 3.299 123.779 120.500 -0.033 0.000 2.202 96 R HA 0.806 5.146 4.340 0.001 0.000 0.334 96 R C -0.294 176.015 176.300 0.015 0.000 1.036 96 R CA 0.584 56.690 56.100 0.010 0.000 0.878 96 R CB 0.667 30.967 30.300 0.000 0.000 1.067 96 R HN 1.321 nan 8.270 nan 0.000 0.457 97 A N 3.884 126.757 122.820 0.088 0.000 2.479 97 A HA 0.483 4.803 4.320 0.001 0.000 0.296 97 A C -1.081 176.623 177.584 0.200 0.000 1.121 97 A CA -1.124 50.994 52.037 0.134 0.000 0.743 97 A CB 1.264 20.401 19.000 0.228 0.000 1.323 97 A HN 0.778 nan 8.150 nan 0.000 0.415 98 N N 0.486 119.313 118.700 0.211 0.000 2.518 98 N HA 0.416 5.156 4.740 0.001 0.000 0.266 98 N C -0.853 174.842 175.510 0.308 0.000 1.196 98 N CA 0.580 53.760 53.050 0.217 0.000 0.947 98 N CB 0.565 39.163 38.487 0.185 0.000 1.098 98 N HN 0.509 nan 8.380 nan 0.000 0.450 99 I N 0.543 121.244 120.570 0.219 0.000 2.512 99 I HA 0.331 4.501 4.170 0.001 0.000 0.287 99 I C -0.348 175.812 176.117 0.071 0.000 1.069 99 I CA -1.111 60.242 61.300 0.089 0.000 1.056 99 I CB 1.909 39.925 38.000 0.026 0.000 1.229 99 I HN 0.319 nan 8.210 nan 0.000 0.429 100 A N 4.773 127.573 122.820 -0.034 0.000 2.269 100 A HA 0.733 5.054 4.320 0.001 0.000 0.302 100 A C 0.394 177.937 177.584 -0.069 0.000 1.266 100 A CA -0.421 51.629 52.037 0.023 0.000 0.894 100 A CB 0.518 19.561 19.000 0.073 0.000 1.147 100 A HN 0.858 nan 8.150 nan 0.000 0.537 101 A N 4.168 127.032 122.820 0.074 0.000 2.527 101 A HA 0.491 4.811 4.320 0.001 0.000 0.313 101 A C 0.198 177.812 177.584 0.050 0.000 1.410 101 A CA -0.345 51.748 52.037 0.093 0.000 1.060 101 A CB -0.716 18.366 19.000 0.136 0.000 1.137 101 A HN 0.782 nan 8.150 nan 0.000 0.542 102 I N 3.280 123.828 120.570 -0.038 0.000 2.769 102 I HA -0.074 4.096 4.170 0.001 0.000 0.285 102 I C 1.771 177.946 176.117 0.096 0.000 1.173 102 I CA 0.743 62.039 61.300 -0.006 0.000 1.389 102 I CB 0.502 38.436 38.000 -0.110 0.000 1.404 102 I HN 0.824 nan 8.210 nan 0.000 0.544 103 T N 1.069 115.697 114.554 0.122 0.000 3.034 103 T HA 0.196 4.546 4.350 0.001 0.000 0.248 103 T C 0.554 175.325 174.700 0.118 0.000 1.040 103 T CA 0.005 62.164 62.100 0.099 0.000 1.107 103 T CB 0.318 69.233 68.868 0.079 0.000 0.932 103 T HN 0.417 nan 8.240 nan 0.000 0.474 104 E N 1.044 121.335 120.200 0.153 0.000 2.293 104 E HA 0.657 5.008 4.350 0.001 0.000 0.270 104 E C -1.300 175.414 176.600 0.189 0.000 0.879 104 E CA -0.447 56.047 56.400 0.157 0.000 0.756 104 E CB 2.346 32.123 29.700 0.128 0.000 1.208 104 E HN 0.445 nan 8.360 nan 0.000 0.428 105 S N 1.730 117.549 115.700 0.199 0.000 2.550 105 S HA 0.684 5.154 4.470 0.001 0.000 0.270 105 S C -1.656 173.063 174.600 0.198 0.000 1.145 105 S CA -1.066 57.248 58.200 0.190 0.000 0.852 105 S CB 1.794 65.084 63.200 0.149 0.000 1.119 105 S HN 0.341 nan 8.310 nan 0.000 0.465 106 D N 0.682 121.193 120.400 0.184 0.000 2.575 106 D HA 0.392 5.032 4.640 0.001 0.000 0.250 106 D C -0.696 175.721 176.300 0.195 0.000 1.279 106 D CA -0.429 53.672 54.000 0.169 0.000 0.925 106 D CB 0.826 41.704 40.800 0.130 0.000 1.261 106 D HN 0.730 nan 8.370 nan 0.000 0.567 107 K N 2.147 122.671 120.400 0.205 0.000 3.069 107 K HA -0.259 4.062 4.320 0.001 0.000 0.267 107 K C 0.199 176.941 176.600 0.238 0.000 1.082 107 K CA 0.659 57.072 56.287 0.211 0.000 0.782 107 K CB -1.450 31.153 32.500 0.172 0.000 1.230 107 K HN 0.431 nan 8.250 nan 0.000 0.488 108 F N 0.347 120.319 119.950 0.036 0.000 2.289 108 F HA 0.248 4.775 4.527 0.000 0.000 0.280 108 F C 0.728 176.478 175.800 -0.084 0.000 1.045 108 F CA 0.128 58.088 58.000 -0.066 0.000 1.236 108 F CB 0.255 39.092 39.000 -0.272 0.000 1.116 108 F HN -0.048 nan 8.300 nan 0.000 0.550 109 F N 1.944 121.870 119.950 -0.040 0.000 2.459 109 F HA 0.254 4.781 4.527 0.001 0.000 0.346 109 F C 0.129 175.800 175.800 -0.214 0.000 1.128 109 F CA -0.218 57.553 58.000 -0.382 0.000 1.268 109 F CB 0.217 38.977 39.000 -0.399 0.000 1.161 109 F HN -0.249 nan 8.300 nan 0.000 0.583 110 I N 2.438 122.786 120.570 -0.371 0.000 2.354 110 I HA 0.140 4.310 4.170 0.001 0.000 0.292 110 I C -0.118 175.641 176.117 -0.596 0.000 0.989 110 I CA -0.976 60.105 61.300 -0.365 0.000 1.188 110 I CB 1.238 39.039 38.000 -0.331 0.000 1.342 110 I HN 0.499 nan 8.210 nan 0.000 0.457 111 N N 4.687 122.798 118.700 -0.980 0.000 2.414 111 N HA 0.054 4.794 4.740 0.001 0.000 0.268 111 N C 0.957 176.118 175.510 -0.582 0.000 1.286 111 N CA 1.519 53.841 53.050 -1.214 0.000 0.896 111 N CB 0.483 38.099 38.487 -1.452 0.000 1.093 111 N HN 0.893 nan 8.380 nan 0.000 0.480 112 G N 1.982 110.509 108.800 -0.455 0.000 2.148 112 G HA2 -0.327 3.633 3.960 0.001 0.000 0.254 112 G HA3 -0.327 3.633 3.960 0.001 0.000 0.254 112 G C 1.048 175.804 174.900 -0.240 0.000 0.981 112 G CA 0.865 45.805 45.100 -0.267 0.000 0.670 112 G HN 0.794 nan 8.290 nan 0.000 0.528 113 S N -0.290 115.180 115.700 -0.383 0.000 2.402 113 S HA 0.004 4.475 4.470 0.001 0.000 0.229 113 S C 1.429 175.863 174.600 -0.276 0.000 1.021 113 S CA 1.417 59.403 58.200 -0.357 0.000 0.974 113 S CB -0.155 62.578 63.200 -0.779 0.000 0.800 113 S HN 1.544 nan 8.310 nan 0.000 0.484 114 N N -0.195 118.275 118.700 -0.384 0.000 2.994 114 N HA -0.112 4.628 4.740 0.001 0.000 0.221 114 N C -0.412 174.790 175.510 -0.513 0.000 0.900 114 N CA 1.341 54.186 53.050 -0.341 0.000 1.008 114 N CB -1.775 36.588 38.487 -0.206 0.000 1.053 114 N HN 0.863 nan 8.380 nan 0.000 0.580 115 W N 0.024 121.055 121.300 -0.448 0.000 2.512 115 W HA 0.704 5.364 4.660 0.000 0.000 0.335 115 W C 0.258 176.661 176.519 -0.195 0.000 1.088 115 W CA -0.525 56.602 57.345 -0.363 0.000 1.236 115 W CB 0.570 29.887 29.460 -0.238 0.000 1.307 115 W HN -0.055 nan 8.180 nan 0.000 0.567 116 E N 1.303 121.618 120.200 0.191 0.000 2.562 116 E HA 0.328 4.678 4.350 0.001 0.000 0.214 116 E C 0.569 177.343 176.600 0.292 0.000 0.979 116 E CA 0.078 56.513 56.400 0.058 0.000 1.002 116 E CB 1.381 31.070 29.700 -0.019 0.000 1.048 116 E HN 0.651 nan 8.360 nan 0.000 0.488 117 G N -0.002 109.062 108.800 0.440 0.000 2.600 117 G HA2 0.548 4.508 3.960 0.001 0.000 0.293 117 G HA3 0.548 4.508 3.960 0.001 0.000 0.293 117 G C -1.800 173.180 174.900 0.132 0.000 1.408 117 G CA -0.736 44.542 45.100 0.296 0.000 0.782 117 G HN 0.058 nan 8.290 nan 0.000 0.482 118 I N -0.467 120.114 120.570 0.018 0.000 2.608 118 I HA 0.745 4.915 4.170 0.001 0.000 0.295 118 I C -1.511 174.642 176.117 0.060 0.000 1.049 118 I CA -1.330 59.935 61.300 -0.059 0.000 1.063 118 I CB 2.097 40.093 38.000 -0.007 0.000 1.248 118 I HN 0.437 nan 8.210 nan 0.000 0.424 119 L N 7.498 128.727 121.223 0.008 0.000 2.366 119 L HA 0.624 4.964 4.340 0.001 0.000 0.266 119 L C -0.117 176.730 176.870 -0.039 0.000 1.010 119 L CA -0.069 54.782 54.840 0.018 0.000 0.879 119 L CB 1.081 43.050 42.059 -0.151 0.000 1.228 119 L HN 0.634 nan 8.230 nan 0.000 0.439 120 G N 4.780 113.598 108.800 0.030 0.000 2.360 120 G HA2 0.384 4.344 3.960 0.001 0.000 0.279 120 G HA3 0.384 4.344 3.960 0.001 0.000 0.279 120 G C 0.413 175.307 174.900 -0.010 0.000 1.189 120 G CA -0.371 44.733 45.100 0.007 0.000 0.941 120 G HN 0.722 nan 8.290 nan 0.000 0.445 121 L N 2.039 123.217 121.223 -0.076 0.000 2.607 121 L HA 0.275 4.616 4.340 0.001 0.000 0.228 121 L C 1.868 178.727 176.870 -0.018 0.000 1.123 121 L CA -0.138 54.635 54.840 -0.113 0.000 0.890 121 L CB -0.109 41.721 42.059 -0.382 0.000 1.103 121 L HN 0.565 nan 8.230 nan 0.000 0.468 122 A N -0.732 122.064 122.820 -0.039 0.000 2.251 122 A HA 0.389 4.710 4.320 0.001 0.000 0.278 122 A C -0.489 176.889 177.584 -0.344 0.000 1.206 122 A CA -0.162 51.715 52.037 -0.267 0.000 0.822 122 A CB 0.021 18.882 19.000 -0.232 0.000 1.187 122 A HN 0.100 nan 8.150 nan 0.000 0.504 123 Y N -1.524 118.655 120.300 -0.203 0.000 2.295 123 Y HA 0.386 4.937 4.550 0.001 0.000 0.331 123 Y C 1.715 177.597 175.900 -0.030 0.000 1.311 123 Y CA 0.298 58.348 58.100 -0.083 0.000 1.430 123 Y CB 0.591 39.008 38.460 -0.071 0.000 1.339 123 Y HN 0.650 nan 8.280 nan 0.000 0.552 124 A N 0.364 123.306 122.820 0.203 0.000 2.019 124 A HA -0.202 4.118 4.320 0.001 0.000 0.219 124 A C 1.957 179.601 177.584 0.100 0.000 1.164 124 A CA 1.701 53.812 52.037 0.123 0.000 0.644 124 A CB -0.673 18.395 19.000 0.114 0.000 0.805 124 A HN 0.851 nan 8.150 nan 0.000 0.449 125 E N 0.769 121.043 120.200 0.124 0.000 2.114 125 E HA -0.211 4.140 4.350 0.001 0.000 0.199 125 E C 1.439 178.104 176.600 0.109 0.000 1.008 125 E CA 1.798 58.270 56.400 0.121 0.000 0.810 125 E CB -0.470 29.338 29.700 0.180 0.000 0.739 125 E HN 0.820 nan 8.360 nan 0.000 0.456 126 I N -2.404 118.203 120.570 0.062 0.000 3.884 126 I HA 0.480 4.651 4.170 0.001 0.000 0.330 126 I C 0.447 176.549 176.117 -0.025 0.000 1.451 126 I CA -0.385 60.904 61.300 -0.018 0.000 1.165 126 I CB 0.238 38.094 38.000 -0.239 0.000 1.097 126 I HN 0.006 nan 8.210 nan 0.000 0.404 127 A N 1.719 124.551 122.820 0.020 0.000 2.322 127 A HA 0.705 5.026 4.320 0.001 0.000 0.269 127 A C 0.067 177.669 177.584 0.029 0.000 1.094 127 A CA -0.512 51.547 52.037 0.036 0.000 0.807 127 A CB 0.517 19.557 19.000 0.066 0.000 1.047 127 A HN 0.406 nan 8.150 nan 0.000 0.487 128 R N 1.331 121.848 120.500 0.028 0.000 2.637 128 R HA 0.364 4.704 4.340 0.001 0.000 0.291 128 R C -2.369 173.954 176.300 0.038 0.000 0.963 128 R CA -1.953 54.144 56.100 -0.005 0.000 0.901 128 R CB 1.199 31.433 30.300 -0.110 0.000 1.160 128 R HN 0.414 nan 8.270 nan 0.000 0.457 129 P HA -0.121 nan 4.420 nan 0.000 0.216 129 P C -0.449 176.867 177.300 0.026 0.000 1.153 129 P CA 1.319 64.432 63.100 0.022 0.000 0.844 129 P CB 0.327 32.051 31.700 0.040 0.000 0.787 130 D N -3.298 117.125 120.400 0.038 0.000 2.752 130 D HA 0.092 4.733 4.640 0.001 0.000 0.313 130 D C -0.078 176.251 176.300 0.048 0.000 1.225 130 D CA -0.669 53.355 54.000 0.040 0.000 0.976 130 D CB -0.435 40.387 40.800 0.037 0.000 1.443 130 D HN -0.196 nan 8.370 nan 0.000 0.515 131 D N -0.742 119.687 120.400 0.048 0.000 2.392 131 D HA -0.129 4.512 4.640 0.001 0.000 0.228 131 D C 1.248 177.580 176.300 0.054 0.000 1.003 131 D CA 0.912 54.945 54.000 0.055 0.000 0.917 131 D CB -0.421 40.411 40.800 0.053 0.000 0.890 131 D HN 0.286 nan 8.370 nan 0.000 0.532 132 S N -0.484 115.245 115.700 0.048 0.000 2.489 132 S HA -0.038 4.432 4.470 0.001 0.000 0.228 132 S C 0.932 175.565 174.600 0.054 0.000 0.995 132 S CA -0.509 57.718 58.200 0.046 0.000 0.934 132 S CB -0.495 62.728 63.200 0.039 0.000 0.771 132 S HN 0.211 nan 8.310 nan 0.000 0.522 133 L N 3.237 124.499 121.223 0.065 0.000 2.356 133 L HA 0.372 4.713 4.340 0.001 0.000 0.282 133 L C 0.199 177.122 176.870 0.088 0.000 1.132 133 L CA -0.174 54.714 54.840 0.080 0.000 0.923 133 L CB -0.087 42.029 42.059 0.094 0.000 1.278 133 L HN 0.256 nan 8.230 nan 0.000 0.436 134 E N 6.064 126.311 120.200 0.078 0.000 2.729 134 E HA -0.029 4.322 4.350 0.001 0.000 0.246 134 E C -2.051 174.609 176.600 0.100 0.000 0.984 134 E CA -1.191 55.255 56.400 0.076 0.000 0.951 134 E CB 0.454 30.183 29.700 0.048 0.000 0.914 134 E HN 0.420 nan 8.360 nan 0.000 0.509 135 P HA -0.087 nan 4.420 nan 0.000 0.269 135 P C 0.011 177.399 177.300 0.147 0.000 1.215 135 P CA 0.075 63.263 63.100 0.146 0.000 0.780 135 P CB 0.365 32.141 31.700 0.127 0.000 0.898 136 F N 2.488 122.463 119.950 0.041 0.000 2.126 136 F HA -0.208 4.320 4.527 0.000 0.000 0.299 136 F C 1.818 177.591 175.800 -0.045 0.000 1.096 136 F CA 1.316 59.288 58.000 -0.046 0.000 1.255 136 F CB -0.500 38.381 39.000 -0.199 0.000 0.997 136 F HN 0.206 nan 8.300 nan 0.000 0.479 137 F N 1.188 121.081 119.950 -0.095 0.000 2.451 137 F HA -0.084 4.443 4.527 0.001 0.000 0.299 137 F C 1.623 177.305 175.800 -0.197 0.000 1.101 137 F CA 1.580 59.451 58.000 -0.214 0.000 1.436 137 F CB -0.425 38.554 39.000 -0.036 0.000 1.074 137 F HN -0.003 nan 8.300 nan 0.000 0.553 138 D N -1.320 119.100 120.400 0.034 0.000 2.234 138 D HA -0.096 4.545 4.640 0.001 0.000 0.205 138 D C 2.212 178.442 176.300 -0.116 0.000 0.962 138 D CA 1.060 55.077 54.000 0.029 0.000 0.855 138 D CB 0.119 40.968 40.800 0.082 0.000 0.951 138 D HN 0.116 nan 8.370 nan 0.000 0.500 139 S N 0.146 115.704 115.700 -0.236 0.000 2.414 139 S HA -0.026 4.444 4.470 0.001 0.000 0.227 139 S C 1.688 176.052 174.600 -0.394 0.000 1.022 139 S CA 0.029 58.068 58.200 -0.269 0.000 0.958 139 S CB -0.041 63.001 63.200 -0.264 0.000 0.797 139 S HN 0.150 nan 8.310 nan 0.000 0.493 140 L N 2.156 122.991 121.223 -0.648 0.000 1.970 140 L HA -0.069 4.271 4.340 0.001 0.000 0.212 140 L C 2.192 178.787 176.870 -0.457 0.000 1.071 140 L CA 1.742 56.170 54.840 -0.687 0.000 0.751 140 L CB -0.738 40.694 42.059 -1.045 0.000 0.889 140 L HN 0.127 nan 8.230 nan 0.000 0.432 141 V N -0.533 119.132 119.914 -0.416 0.000 2.490 141 V HA -0.291 3.829 4.120 0.001 0.000 0.250 141 V C 2.586 178.598 176.094 -0.138 0.000 1.061 141 V CA 1.920 64.093 62.300 -0.211 0.000 1.064 141 V CB -0.724 31.061 31.823 -0.064 0.000 0.670 141 V HN 0.440 nan 8.190 nan 0.000 0.461 142 K N -0.284 120.031 120.400 -0.141 0.000 2.031 142 K HA -0.122 4.198 4.320 0.001 0.000 0.205 142 K C 2.188 178.707 176.600 -0.135 0.000 1.049 142 K CA 1.315 57.540 56.287 -0.104 0.000 0.939 142 K CB -0.100 32.351 32.500 -0.083 0.000 0.717 142 K HN 0.511 nan 8.250 nan 0.000 0.438 143 Q N -0.004 119.694 119.800 -0.171 0.000 2.432 143 Q HA -0.023 4.317 4.340 0.001 0.000 0.205 143 Q C 0.700 176.565 176.000 -0.224 0.000 0.945 143 Q CA 0.726 56.424 55.803 -0.175 0.000 0.924 143 Q CB 0.601 29.243 28.738 -0.159 0.000 1.016 143 Q HN 0.310 nan 8.270 nan 0.000 0.503 144 T N -4.045 110.355 114.554 -0.257 0.000 2.693 144 T HA 0.268 4.619 4.350 0.001 0.000 0.278 144 T C -0.226 174.269 174.700 -0.342 0.000 0.994 144 T CA -0.804 61.113 62.100 -0.305 0.000 1.033 144 T CB 0.926 69.671 68.868 -0.205 0.000 1.342 144 T HN 0.097 nan 8.240 nan 0.000 0.538 145 H N -0.862 118.174 119.070 -0.056 0.000 2.507 145 H HA 0.501 5.057 4.556 0.000 0.000 0.294 145 H C -0.041 175.268 175.328 -0.032 0.000 1.064 145 H CA -0.450 55.576 56.048 -0.037 0.000 1.138 145 H CB 0.214 29.960 29.762 -0.026 0.000 1.515 145 H HN 0.226 nan 8.280 nan 0.000 0.547 146 V N 3.223 123.142 119.914 0.010 0.000 2.479 146 V HA 0.053 4.173 4.120 0.001 0.000 0.281 146 V C -1.822 174.296 176.094 0.041 0.000 1.031 146 V CA -1.624 60.678 62.300 0.003 0.000 1.038 146 V CB 0.644 32.411 31.823 -0.093 0.000 0.981 146 V HN 0.222 nan 8.190 nan 0.000 0.478 147 P HA 0.037 nan 4.420 nan 0.000 0.267 147 P C -0.031 177.398 177.300 0.215 0.000 1.200 147 P CA -0.208 62.971 63.100 0.131 0.000 0.772 147 P CB 0.306 32.082 31.700 0.128 0.000 0.855 148 N N 2.946 121.782 118.700 0.225 0.000 3.103 148 N HA 0.171 4.911 4.740 0.001 0.000 0.305 148 N C -0.799 174.907 175.510 0.327 0.000 1.232 148 N CA 0.353 53.613 53.050 0.350 0.000 1.190 148 N CB -1.179 37.462 38.487 0.256 0.000 1.461 148 N HN 0.359 nan 8.380 nan 0.000 0.538 149 L N 1.452 122.914 121.223 0.399 0.000 2.724 149 L HA 0.592 4.932 4.340 0.001 0.000 0.258 149 L C -1.868 175.216 176.870 0.357 0.000 0.967 149 L CA -0.881 54.093 54.840 0.224 0.000 0.891 149 L CB 1.162 43.300 42.059 0.132 0.000 1.456 149 L HN 0.151 nan 8.230 nan 0.000 0.416 150 F N 0.823 120.809 119.950 0.061 0.000 2.741 150 F HA 0.881 5.408 4.527 0.000 0.000 0.313 150 F C -1.332 174.506 175.800 0.064 0.000 1.153 150 F CA -0.252 57.797 58.000 0.082 0.000 0.931 150 F CB 1.553 40.569 39.000 0.026 0.000 1.335 150 F HN 0.512 nan 8.300 nan 0.000 0.460 151 S N 1.216 117.074 115.700 0.263 0.000 2.579 151 S HA 0.867 5.337 4.470 0.001 0.000 0.272 151 S C -1.755 172.988 174.600 0.238 0.000 1.141 151 S CA -0.934 57.284 58.200 0.030 0.000 0.843 151 S CB 1.993 65.032 63.200 -0.269 0.000 1.122 151 S HN 0.898 nan 8.310 nan 0.000 0.468 152 L N 1.316 122.622 121.223 0.138 0.000 2.385 152 L HA 0.586 4.927 4.340 0.001 0.000 0.273 152 L C -0.591 176.384 176.870 0.176 0.000 0.990 152 L CA -0.447 54.504 54.840 0.185 0.000 0.821 152 L CB 2.114 44.298 42.059 0.208 0.000 1.279 152 L HN 0.750 nan 8.230 nan 0.000 0.412 153 Q N 4.605 124.499 119.800 0.156 0.000 2.454 153 Q HA 0.469 4.810 4.340 0.001 0.000 0.255 153 Q C -1.569 174.391 176.000 -0.067 0.000 1.034 153 Q CA -0.523 55.349 55.803 0.114 0.000 0.736 153 Q CB 1.311 30.107 28.738 0.096 0.000 1.210 153 Q HN 0.607 nan 8.270 nan 0.000 0.500 154 L N 2.925 124.059 121.223 -0.149 0.000 2.257 154 L HA 0.343 4.684 4.340 0.001 0.000 0.290 154 L C 0.597 177.399 176.870 -0.113 0.000 1.044 154 L CA -0.647 53.964 54.840 -0.381 0.000 0.810 154 L CB 0.969 42.646 42.059 -0.638 0.000 1.193 154 L HN 0.707 nan 8.230 nan 0.000 0.425 155 c N 1.141 119.729 118.600 -0.021 0.000 2.611 155 c HA 0.112 4.682 4.570 0.001 0.000 0.282 155 c C 2.278 176.437 174.090 0.115 0.000 1.321 155 c CA 0.421 56.781 56.329 0.052 0.000 1.747 155 c CB -0.383 42.144 42.510 0.028 0.000 2.124 155 c HN 1.190 nan 8.230 nan 0.000 0.531 156 G N 1.804 110.754 108.800 0.250 0.000 3.051 156 G HA2 -0.379 3.581 3.960 0.001 0.000 0.233 156 G HA3 -0.379 3.581 3.960 0.001 0.000 0.233 156 G C 0.788 175.739 174.900 0.084 0.000 1.113 156 G CA 1.401 46.621 45.100 0.201 0.000 0.906 156 G HN 1.029 nan 8.290 nan 0.000 0.610 168 A N 2.544 125.352 122.820 -0.020 0.000 2.440 168 A HA 0.679 4.999 4.320 0.001 0.000 0.251 168 A C 0.225 177.796 177.584 -0.022 0.000 1.089 168 A CA 0.053 52.079 52.037 -0.017 0.000 0.779 168 A CB 0.165 19.156 19.000 -0.015 0.000 1.022 168 A HN 0.677 nan 8.150 nan 0.000 0.492 169 S N 0.189 115.879 115.700 -0.018 0.000 2.580 169 S HA 0.460 4.930 4.470 0.001 0.000 0.274 169 S C 0.432 175.008 174.600 -0.039 0.000 1.329 169 S CA -0.225 57.961 58.200 -0.024 0.000 1.036 169 S CB 0.955 64.150 63.200 -0.008 0.000 0.919 169 S HN 1.165 nan 8.310 nan 0.000 0.515 170 V N 0.026 119.891 119.914 -0.082 0.000 3.096 170 V HA 1.086 5.206 4.120 0.001 0.000 0.319 170 V C 0.328 176.416 176.094 -0.010 0.000 1.103 170 V CA -0.690 61.571 62.300 -0.064 0.000 1.016 170 V CB 1.387 33.099 31.823 -0.185 0.000 1.090 170 V HN 0.921 nan 8.190 nan 0.000 0.449 171 G N -1.403 107.481 108.800 0.140 0.000 2.695 171 G HA2 0.905 4.866 3.960 0.001 0.000 0.290 171 G HA3 0.905 4.866 3.960 0.001 0.000 0.290 171 G C -0.520 174.490 174.900 0.185 0.000 1.410 171 G CA -0.185 44.995 45.100 0.133 0.000 0.844 171 G HN 1.663 nan 8.290 nan 0.000 0.478 172 G N -1.123 107.711 108.800 0.058 0.000 2.348 172 G HA2 0.691 4.652 3.960 0.001 0.000 0.296 172 G HA3 0.691 4.652 3.960 0.001 0.000 0.296 172 G C -1.186 173.692 174.900 -0.036 0.000 1.258 172 G CA 0.389 45.466 45.100 -0.039 0.000 0.868 172 G HN 1.619 nan 8.290 nan 0.000 0.488 173 S N -0.754 114.926 115.700 -0.034 0.000 2.566 173 S HA 0.621 5.091 4.470 0.001 0.000 0.273 173 S C -0.772 173.866 174.600 0.063 0.000 1.157 173 S CA -0.515 57.691 58.200 0.010 0.000 0.938 173 S CB 1.779 64.982 63.200 0.006 0.000 1.087 173 S HN 0.916 nan 8.310 nan 0.000 0.474 174 M N 4.305 123.951 119.600 0.078 0.000 2.114 174 M HA 0.494 4.975 4.480 0.001 0.000 0.332 174 M C -1.716 174.687 176.300 0.171 0.000 1.014 174 M CA -0.786 54.592 55.300 0.131 0.000 0.956 174 M CB 0.338 32.980 32.600 0.070 0.000 1.551 174 M HN 0.598 nan 8.290 nan 0.000 0.427 175 I N 6.981 127.697 120.570 0.242 0.000 2.307 175 I HA 0.309 4.479 4.170 0.001 0.000 0.289 175 I C -0.281 176.018 176.117 0.302 0.000 1.021 175 I CA -0.420 61.028 61.300 0.248 0.000 1.224 175 I CB 0.536 38.697 38.000 0.269 0.000 1.376 175 I HN 0.733 nan 8.210 nan 0.000 0.470 176 I N 5.210 125.943 120.570 0.272 0.000 2.325 176 I HA 0.392 4.562 4.170 0.001 0.000 0.291 176 I C 1.190 177.479 176.117 0.287 0.000 1.019 176 I CA 0.280 61.779 61.300 0.331 0.000 1.302 176 I CB 1.277 39.432 38.000 0.258 0.000 1.401 176 I HN 0.884 nan 8.210 nan 0.000 0.485 177 G N 3.870 112.880 108.800 0.349 0.000 2.176 177 G HA2 -0.106 3.854 3.960 0.001 0.000 0.253 177 G HA3 -0.106 3.854 3.960 0.001 0.000 0.253 177 G C 0.224 175.250 174.900 0.211 0.000 0.979 177 G CA -0.167 45.088 45.100 0.259 0.000 0.641 177 G HN 1.153 nan 8.290 nan 0.000 0.530 178 G N -1.280 107.656 108.800 0.226 0.000 2.554 178 G HA2 0.658 4.619 3.960 0.001 0.000 0.306 178 G HA3 0.658 4.619 3.960 0.001 0.000 0.306 178 G C -1.508 173.526 174.900 0.224 0.000 1.320 178 G CA -0.431 44.791 45.100 0.202 0.000 0.800 178 G HN 0.758 nan 8.290 nan 0.000 0.481 179 I N 0.558 121.276 120.570 0.246 0.000 2.545 179 I HA 0.382 4.552 4.170 0.001 0.000 0.292 179 I C -1.505 174.817 176.117 0.342 0.000 1.040 179 I CA -0.675 60.822 61.300 0.328 0.000 1.068 179 I CB 2.512 40.687 38.000 0.293 0.000 1.251 179 I HN 0.328 nan 8.210 nan 0.000 0.424 180 D N 4.891 125.499 120.400 0.347 0.000 2.454 180 D HA 0.146 4.787 4.640 0.001 0.000 0.247 180 D C 1.216 177.468 176.300 -0.081 0.000 1.129 180 D CA -0.313 53.730 54.000 0.071 0.000 0.877 180 D CB 0.763 41.525 40.800 -0.063 0.000 1.082 180 D HN 0.607 nan 8.370 nan 0.000 0.537 181 H N 1.694 120.762 119.070 -0.003 0.000 2.518 181 H HA -0.132 4.424 4.556 0.000 0.000 0.294 181 H C 1.156 176.229 175.328 -0.425 0.000 1.083 181 H CA 1.270 57.173 56.048 -0.242 0.000 1.264 181 H CB -0.180 29.481 29.762 -0.169 0.000 1.370 181 H HN 0.274 nan 8.280 nan 0.000 0.560 182 S N 0.607 115.879 115.700 -0.714 0.000 2.603 182 S HA 0.078 4.548 4.470 0.001 0.000 0.220 182 S C 1.772 176.135 174.600 -0.396 0.000 0.967 182 S CA -0.157 57.740 58.200 -0.505 0.000 0.920 182 S CB -0.417 62.477 63.200 -0.510 0.000 0.773 182 S HN 0.423 nan 8.310 nan 0.000 0.529 183 L N 0.482 121.415 121.223 -0.482 0.000 2.607 183 L HA 0.396 4.736 4.340 0.001 0.000 0.228 183 L C 0.270 176.955 176.870 -0.309 0.000 1.123 183 L CA -0.392 54.153 54.840 -0.492 0.000 0.890 183 L CB -0.210 41.353 42.059 -0.827 0.000 1.103 183 L HN 0.604 nan 8.230 nan 0.000 0.468 184 Y N -2.312 117.833 120.300 -0.257 0.000 2.655 184 Y HA 0.685 5.236 4.550 0.001 0.000 0.336 184 Y C -0.343 175.562 175.900 0.007 0.000 1.154 184 Y CA -1.246 56.824 58.100 -0.050 0.000 1.055 184 Y CB 1.100 39.628 38.460 0.114 0.000 1.295 184 Y HN -0.095 nan 8.280 nan 0.000 0.465 185 T N -0.846 113.855 114.554 0.246 0.000 2.942 185 T HA 0.790 5.140 4.350 0.001 0.000 0.289 185 T C 0.492 175.387 174.700 0.326 0.000 1.044 185 T CA -0.176 62.006 62.100 0.137 0.000 1.023 185 T CB 1.028 69.947 68.868 0.086 0.000 1.123 185 T HN 2.282 nan 8.240 nan 0.000 0.512 186 G N 1.019 109.942 108.800 0.205 0.000 2.539 186 G HA2 -0.073 3.887 3.960 0.001 0.000 0.256 186 G HA3 -0.073 3.887 3.960 0.001 0.000 0.256 186 G C 0.012 175.099 174.900 0.313 0.000 1.233 186 G CA -0.011 45.222 45.100 0.221 0.000 0.936 186 G HN 1.432 nan 8.290 nan 0.000 0.571 187 S N -1.255 114.578 115.700 0.222 0.000 2.593 187 S HA 0.724 5.195 4.470 0.001 0.000 0.297 187 S C 0.066 174.608 174.600 -0.097 0.000 1.112 187 S CA -0.577 57.668 58.200 0.075 0.000 1.043 187 S CB 1.054 64.216 63.200 -0.063 0.000 1.054 187 S HN 0.776 nan 8.310 nan 0.000 0.516 188 L N 3.380 124.398 121.223 -0.342 0.000 2.265 188 L HA 0.428 4.768 4.340 0.001 0.000 0.288 188 L C -1.117 175.316 176.870 -0.728 0.000 1.058 188 L CA -0.330 54.161 54.840 -0.582 0.000 0.809 188 L CB 0.676 42.321 42.059 -0.691 0.000 1.179 188 L HN 0.679 nan 8.230 nan 0.000 0.429 189 W N 3.117 123.990 121.300 -0.712 0.000 2.478 189 W HA 0.451 5.112 4.660 0.001 0.000 0.318 189 W C -0.611 175.341 176.519 -0.944 0.000 1.062 189 W CA -0.213 56.573 57.345 -0.931 0.000 1.210 189 W CB 0.935 29.479 29.460 -1.526 0.000 1.325 189 W HN 0.233 nan 8.180 nan 0.000 0.496 190 Y N 1.459 121.594 120.300 -0.275 0.000 2.420 190 Y HA 0.564 5.115 4.550 0.000 0.000 0.334 190 Y C 0.569 176.626 175.900 0.262 0.000 1.094 190 Y CA -0.746 57.343 58.100 -0.019 0.000 1.126 190 Y CB 2.143 40.569 38.460 -0.056 0.000 1.217 190 Y HN 0.155 nan 8.280 nan 0.000 0.462 191 T N 4.278 119.144 114.554 0.521 0.000 2.861 191 T HA 0.493 4.843 4.350 0.001 0.000 0.287 191 T C -2.901 171.985 174.700 0.310 0.000 1.003 191 T CA -2.550 59.829 62.100 0.465 0.000 0.977 191 T CB 1.133 70.261 68.868 0.434 0.000 0.996 191 T HN 0.231 nan 8.240 nan 0.000 0.448 192 P HA 0.284 nan 4.420 nan 0.000 0.269 192 P C -0.564 176.854 177.300 0.198 0.000 1.209 192 P CA -0.185 63.025 63.100 0.184 0.000 0.776 192 P CB 0.349 32.137 31.700 0.147 0.000 0.876 193 I N 3.340 124.025 120.570 0.192 0.000 2.322 193 I HA 0.139 4.309 4.170 0.001 0.000 0.292 193 I C 1.990 178.215 176.117 0.179 0.000 1.060 193 I CA -0.134 61.302 61.300 0.226 0.000 1.309 193 I CB 0.490 38.642 38.000 0.253 0.000 1.415 193 I HN 0.393 nan 8.210 nan 0.000 0.492 194 R N 5.236 125.857 120.500 0.201 0.000 2.094 194 R HA -0.032 4.308 4.340 0.001 0.000 0.239 194 R C 0.807 177.186 176.300 0.132 0.000 1.137 194 R CA 1.555 57.756 56.100 0.168 0.000 0.943 194 R CB 0.236 30.657 30.300 0.202 0.000 0.850 194 R HN 0.549 nan 8.270 nan 0.000 0.433 195 R N 0.243 120.861 120.500 0.197 0.000 2.626 195 R HA 0.121 4.461 4.340 0.001 0.000 0.274 195 R C -1.483 174.935 176.300 0.198 0.000 1.031 195 R CA -0.407 55.754 56.100 0.101 0.000 0.898 195 R CB 1.664 31.927 30.300 -0.061 0.000 1.222 195 R HN 0.083 nan 8.270 nan 0.000 0.455 196 E N 4.675 124.813 120.200 -0.103 0.000 1.865 196 E HA 0.069 4.419 4.350 0.001 0.000 0.269 196 E C -0.072 176.501 176.600 -0.045 0.000 1.177 196 E CA 0.075 56.168 56.400 -0.512 0.000 0.932 196 E CB 0.278 29.297 29.700 -1.135 0.000 1.066 196 E HN 0.486 nan 8.360 nan 0.000 0.405 197 W N 2.139 123.406 121.300 -0.056 0.000 4.548 197 W HA 0.159 4.819 4.660 0.001 0.000 0.165 197 W C -0.373 176.140 176.519 -0.010 0.000 3.454 197 W CA -0.279 57.077 57.345 0.018 0.000 1.250 197 W CB -0.435 29.036 29.460 0.019 0.000 2.050 197 W HN 0.136 nan 8.180 nan 0.000 0.444 198 Y N 0.657 120.553 120.300 -0.673 0.000 2.286 198 Y HA 0.332 4.883 4.550 0.001 0.000 0.347 198 Y C -0.116 175.643 175.900 -0.235 0.000 1.351 198 Y CA -0.028 57.743 58.100 -0.548 0.000 1.640 198 Y CB 0.096 38.028 38.460 -0.879 0.000 1.560 198 Y HN -0.152 nan 8.280 nan 0.000 0.574 199 Y N 1.025 121.452 120.300 0.211 0.000 2.821 199 Y HA 0.159 4.709 4.550 0.001 0.000 0.331 199 Y C 0.254 176.302 175.900 0.247 0.000 1.251 199 Y CA -0.402 57.872 58.100 0.290 0.000 1.494 199 Y CB -0.103 38.536 38.460 0.299 0.000 1.493 199 Y HN 0.396 nan 8.280 nan 0.000 0.496 200 E N 2.102 122.498 120.200 0.326 0.000 2.354 200 E HA 0.447 4.797 4.350 0.001 0.000 0.269 200 E C -0.623 176.147 176.600 0.284 0.000 1.036 200 E CA -0.342 56.238 56.400 0.300 0.000 0.876 200 E CB 0.983 30.945 29.700 0.437 0.000 1.009 200 E HN 0.414 nan 8.360 nan 0.000 0.416 201 V N 0.929 120.981 119.914 0.229 0.000 3.156 201 V HA 0.631 4.751 4.120 0.001 0.000 0.310 201 V C -0.634 175.553 176.094 0.154 0.000 1.234 201 V CA -0.985 61.431 62.300 0.193 0.000 1.065 201 V CB 1.683 33.617 31.823 0.186 0.000 1.088 201 V HN 0.579 nan 8.190 nan 0.000 0.451 202 I N 1.393 122.033 120.570 0.117 0.000 2.439 202 I HA 0.484 4.655 4.170 0.001 0.000 0.285 202 I C -0.992 175.158 176.117 0.055 0.000 1.021 202 I CA -0.384 60.977 61.300 0.103 0.000 1.091 202 I CB 1.839 39.904 38.000 0.108 0.000 1.242 202 I HN 0.511 nan 8.210 nan 0.000 0.439 203 I N 6.606 127.219 120.570 0.071 0.000 2.395 203 I HA 0.080 4.251 4.170 0.001 0.000 0.289 203 I C 1.169 177.364 176.117 0.130 0.000 1.023 203 I CA -0.060 61.261 61.300 0.035 0.000 1.350 203 I CB 1.516 39.522 38.000 0.010 0.000 1.409 203 I HN 0.485 nan 8.210 nan 0.000 0.507 204 V N 3.045 123.006 119.914 0.078 0.000 3.643 204 V HA 0.444 4.564 4.120 0.001 0.000 0.280 204 V C 0.469 176.628 176.094 0.109 0.000 1.351 204 V CA 0.025 62.386 62.300 0.100 0.000 1.073 204 V CB -0.389 31.456 31.823 0.037 0.000 0.863 204 V HN 0.873 nan 8.190 nan 0.000 0.436 205 R N -0.565 119.974 120.500 0.064 0.000 2.824 205 R HA 0.618 4.958 4.340 0.001 0.000 0.267 205 R C -2.552 173.620 176.300 -0.214 0.000 1.035 205 R CA -0.343 55.725 56.100 -0.053 0.000 0.887 205 R CB 2.230 32.270 30.300 -0.434 0.000 1.262 205 R HN 0.025 nan 8.270 nan 0.000 0.487 206 V N 2.146 121.868 119.914 -0.319 0.000 2.760 206 V HA 0.524 4.645 4.120 0.001 0.000 0.309 206 V C -0.875 175.144 176.094 -0.125 0.000 1.077 206 V CA -0.738 61.369 62.300 -0.321 0.000 0.910 206 V CB 2.025 33.449 31.823 -0.666 0.000 1.008 206 V HN 0.771 nan 8.190 nan 0.000 0.424 207 E N 3.671 123.842 120.200 -0.047 0.000 2.272 207 E HA 0.636 4.987 4.350 0.001 0.000 0.269 207 E C -1.488 175.099 176.600 -0.022 0.000 0.877 207 E CA -0.621 55.770 56.400 -0.016 0.000 0.755 207 E CB 2.885 32.614 29.700 0.049 0.000 1.192 207 E HN 0.558 nan 8.360 nan 0.000 0.422 208 I N 3.152 123.713 120.570 -0.016 0.000 2.382 208 I HA 0.214 4.384 4.170 0.001 0.000 0.286 208 I C 0.009 176.139 176.117 0.023 0.000 1.002 208 I CA -0.575 60.725 61.300 0.001 0.000 1.135 208 I CB 1.279 39.270 38.000 -0.016 0.000 1.288 208 I HN 0.612 nan 8.210 nan 0.000 0.448 209 N N 4.878 123.608 118.700 0.050 0.000 2.754 209 N HA -0.198 4.542 4.740 0.001 0.000 0.248 209 N C 0.829 176.358 175.510 0.033 0.000 1.093 209 N CA 1.342 54.425 53.050 0.054 0.000 0.699 209 N CB -0.734 37.785 38.487 0.055 0.000 1.016 209 N HN 1.126 nan 8.380 nan 0.000 0.552 210 G N -2.010 106.805 108.800 0.025 0.000 2.234 210 G HA2 -0.335 3.625 3.960 0.001 0.000 0.260 210 G HA3 -0.335 3.625 3.960 0.001 0.000 0.260 210 G C -0.349 174.552 174.900 0.002 0.000 0.987 210 G CA 0.615 45.725 45.100 0.016 0.000 0.625 210 G HN 0.512 nan 8.290 nan 0.000 0.532 211 Q N 1.367 121.166 119.800 -0.001 0.000 2.322 211 Q HA 0.373 4.714 4.340 0.001 0.000 0.256 211 Q C -0.222 175.764 176.000 -0.023 0.000 0.960 211 Q CA -0.572 55.223 55.803 -0.013 0.000 0.934 211 Q CB 1.379 30.110 28.738 -0.012 0.000 1.200 211 Q HN 0.434 nan 8.270 nan 0.000 0.435 212 D N 2.497 122.874 120.400 -0.038 0.000 2.487 212 D HA -0.099 4.541 4.640 0.001 0.000 0.243 212 D C 0.742 177.029 176.300 -0.021 0.000 1.154 212 D CA -0.113 53.856 54.000 -0.051 0.000 0.876 212 D CB 0.835 41.590 40.800 -0.075 0.000 1.161 212 D HN 0.333 nan 8.370 nan 0.000 0.478 213 L N 3.650 124.870 121.223 -0.004 0.000 2.450 213 L HA -0.072 4.268 4.340 0.001 0.000 0.224 213 L C 0.670 177.577 176.870 0.061 0.000 1.149 213 L CA 0.912 55.772 54.840 0.033 0.000 0.816 213 L CB -0.979 41.116 42.059 0.059 0.000 0.932 213 L HN 0.574 nan 8.230 nan 0.000 0.449 214 K N 0.815 121.244 120.400 0.047 0.000 5.387 214 K HA -0.195 4.126 4.320 0.001 0.000 0.360 214 K C -0.368 176.243 176.600 0.018 0.000 0.847 214 K CA 1.337 57.636 56.287 0.020 0.000 1.065 214 K CB -0.774 31.721 32.500 -0.009 0.000 1.922 214 K HN 0.538 nan 8.250 nan 0.000 0.376 215 M N -1.440 118.160 119.600 -0.000 0.000 2.790 215 M HA 0.300 4.781 4.480 0.001 0.000 0.272 215 M C -1.215 174.944 176.300 -0.235 0.000 1.168 215 M CA -1.218 54.023 55.300 -0.098 0.000 0.829 215 M CB 1.343 33.897 32.600 -0.077 0.000 1.675 215 M HN 0.022 nan 8.290 nan 0.000 0.505 216 D N 1.726 121.985 120.400 -0.236 0.000 2.520 216 D HA 0.130 4.770 4.640 0.001 0.000 0.243 216 D C 1.410 177.434 176.300 -0.459 0.000 1.160 216 D CA 0.278 54.129 54.000 -0.248 0.000 0.877 216 D CB 1.077 41.772 40.800 -0.175 0.000 1.150 216 D HN 0.803 nan 8.370 nan 0.000 0.494 217 c N 3.679 122.059 118.600 -0.366 0.000 2.409 217 c HA -0.061 4.509 4.570 0.001 0.000 0.284 217 c C 2.030 175.948 174.090 -0.286 0.000 1.354 217 c CA 0.101 56.183 56.329 -0.412 0.000 1.787 217 c CB -0.730 41.754 42.510 -0.043 0.000 1.900 217 c HN 0.636 nan 8.230 nan 0.000 0.520 218 K N 0.846 121.141 120.400 -0.174 0.000 2.280 218 K HA -0.094 4.226 4.320 0.001 0.000 0.202 218 K C 2.127 178.704 176.600 -0.038 0.000 1.047 218 K CA 1.358 57.624 56.287 -0.035 0.000 0.942 218 K CB -0.135 32.369 32.500 0.006 0.000 0.739 218 K HN 0.585 nan 8.250 nan 0.000 0.457 219 E N 0.186 120.260 120.200 -0.210 0.000 2.106 219 E HA -0.164 4.187 4.350 0.001 0.000 0.192 219 E C 1.822 178.453 176.600 0.052 0.000 0.984 219 E CA 1.223 57.546 56.400 -0.128 0.000 0.806 219 E CB -0.265 29.302 29.700 -0.222 0.000 0.750 219 E HN 0.549 nan 8.360 nan 0.000 0.458 220 Y N 1.012 121.347 120.300 0.059 0.000 2.333 220 Y HA -0.074 4.477 4.550 0.001 0.000 0.290 220 Y C 1.534 177.469 175.900 0.058 0.000 1.144 220 Y CA 0.445 58.574 58.100 0.048 0.000 1.228 220 Y CB 0.092 38.565 38.460 0.022 0.000 0.985 220 Y HN 0.052 nan 8.280 nan 0.000 0.542 221 N N -0.964 117.868 118.700 0.220 0.000 2.235 221 N HA -0.053 4.687 4.740 0.001 0.000 0.231 221 N C -0.535 175.057 175.510 0.137 0.000 1.177 221 N CA -0.166 52.984 53.050 0.167 0.000 0.874 221 N CB 0.061 38.657 38.487 0.182 0.000 1.097 221 N HN 0.171 nan 8.380 nan 0.000 0.518 222 Y N 3.241 123.510 120.300 -0.051 0.000 2.834 222 Y HA -0.116 4.434 4.550 0.001 0.000 0.355 222 Y C 1.000 176.684 175.900 -0.361 0.000 1.287 222 Y CA 0.624 58.579 58.100 -0.242 0.000 1.647 222 Y CB -0.512 37.844 38.460 -0.173 0.000 1.221 222 Y HN 0.278 nan 8.280 nan 0.000 0.519 223 D N 1.590 121.564 120.400 -0.711 0.000 3.169 223 D HA -0.213 4.427 4.640 0.001 0.000 0.230 223 D C -0.779 175.481 176.300 -0.066 0.000 0.992 223 D CA 2.070 55.707 54.000 -0.606 0.000 2.072 223 D CB -1.121 39.298 40.800 -0.635 0.000 1.268 223 D HN 0.775 nan 8.370 nan 0.000 0.574 224 K N -1.377 118.989 120.400 -0.057 0.000 2.736 224 K HA 0.641 4.962 4.320 0.001 0.000 0.290 224 K C -1.749 174.858 176.600 0.011 0.000 1.033 224 K CA -0.781 55.547 56.287 0.069 0.000 0.852 224 K CB 1.242 33.798 32.500 0.094 0.000 1.494 224 K HN 0.037 nan 8.250 nan 0.000 0.378 225 S N 1.074 116.810 115.700 0.060 0.000 2.561 225 S HA 0.683 5.153 4.470 0.001 0.000 0.303 225 S C -0.676 173.955 174.600 0.052 0.000 1.110 225 S CA -0.831 57.397 58.200 0.046 0.000 1.034 225 S CB 0.598 63.849 63.200 0.085 0.000 1.010 225 S HN 0.562 nan 8.310 nan 0.000 0.482 226 I N -0.362 120.221 120.570 0.021 0.000 2.769 226 I HA 0.752 4.923 4.170 0.001 0.000 0.298 226 I C -1.334 174.865 176.117 0.136 0.000 1.128 226 I CA -1.223 60.121 61.300 0.073 0.000 1.031 226 I CB 1.907 39.870 38.000 -0.062 0.000 1.235 226 I HN 0.256 nan 8.210 nan 0.000 0.423 227 V N 3.388 123.446 119.914 0.241 0.000 2.364 227 V HA 0.392 4.513 4.120 0.001 0.000 0.272 227 V C -0.784 175.462 176.094 0.254 0.000 1.036 227 V CA 0.116 62.572 62.300 0.260 0.000 0.880 227 V CB 0.718 32.724 31.823 0.305 0.000 0.991 227 V HN 0.743 nan 8.190 nan 0.000 0.460 228 D N 2.987 123.495 120.400 0.180 0.000 2.473 228 D HA 0.253 4.893 4.640 0.001 0.000 0.253 228 D C 1.027 177.391 176.300 0.107 0.000 1.233 228 D CA -0.146 53.934 54.000 0.134 0.000 0.908 228 D CB 2.043 42.906 40.800 0.105 0.000 1.170 228 D HN 0.465 nan 8.370 nan 0.000 0.558 229 S N 1.456 117.204 115.700 0.079 0.000 2.515 229 S HA 0.033 4.504 4.470 0.001 0.000 0.231 229 S C 1.688 176.329 174.600 0.067 0.000 0.987 229 S CA 0.453 58.697 58.200 0.073 0.000 0.936 229 S CB 0.103 63.319 63.200 0.028 0.000 0.766 229 S HN 0.409 nan 8.310 nan 0.000 0.528 230 G N 0.306 109.127 108.800 0.035 0.000 3.314 230 G HA2 0.371 4.332 3.960 0.001 0.000 0.238 230 G HA3 0.371 4.332 3.960 0.001 0.000 0.238 230 G C -0.100 174.818 174.900 0.030 0.000 1.184 230 G CA -0.176 44.928 45.100 0.006 0.000 0.806 230 G HN 0.446 nan 8.290 nan 0.000 0.536 231 T N -0.640 113.950 114.554 0.060 0.000 2.886 231 T HA 0.363 4.714 4.350 0.001 0.000 0.292 231 T C 1.102 175.851 174.700 0.081 0.000 1.012 231 T CA -0.380 61.758 62.100 0.064 0.000 0.982 231 T CB 2.101 71.003 68.868 0.057 0.000 1.018 231 T HN -0.050 nan 8.240 nan 0.000 0.451 232 T N 2.909 117.507 114.554 0.074 0.000 2.770 232 T HA 0.019 4.369 4.350 0.001 0.000 0.258 232 T C 1.098 175.840 174.700 0.071 0.000 1.039 232 T CA 0.929 63.077 62.100 0.080 0.000 1.143 232 T CB -0.101 68.807 68.868 0.067 0.000 0.866 232 T HN 0.395 nan 8.240 nan 0.000 0.428 233 N N 1.105 119.833 118.700 0.047 0.000 2.347 233 N HA 0.356 5.097 4.740 0.001 0.000 0.253 233 N C -0.762 174.765 175.510 0.028 0.000 1.274 233 N CA -0.600 52.465 53.050 0.025 0.000 0.941 233 N CB 0.247 38.733 38.487 -0.002 0.000 1.200 233 N HN 0.085 nan 8.380 nan 0.000 0.514 234 L N 1.121 122.348 121.223 0.007 0.000 2.259 234 L HA 0.356 4.697 4.340 0.001 0.000 0.288 234 L C -0.492 176.381 176.870 0.005 0.000 1.051 234 L CA -0.296 54.552 54.840 0.013 0.000 0.824 234 L CB -0.108 41.953 42.059 0.002 0.000 1.206 234 L HN 0.345 nan 8.230 nan 0.000 0.429 235 R N 6.296 126.803 120.500 0.011 0.000 2.312 235 R HA 0.606 4.946 4.340 0.001 0.000 0.311 235 R C -1.137 175.179 176.300 0.027 0.000 1.004 235 R CA -0.735 55.367 56.100 0.003 0.000 0.902 235 R CB 1.186 31.473 30.300 -0.022 0.000 1.073 235 R HN 0.599 nan 8.270 nan 0.000 0.457 236 L N 3.623 124.890 121.223 0.072 0.000 2.342 236 L HA 0.503 4.844 4.340 0.001 0.000 0.271 236 L C -2.294 174.641 176.870 0.109 0.000 1.008 236 L CA -2.794 52.114 54.840 0.114 0.000 0.818 236 L CB 2.065 44.241 42.059 0.194 0.000 1.296 236 L HN 0.232 nan 8.230 nan 0.000 0.427 237 P HA 0.023 nan 4.420 nan 0.000 0.268 237 P C 0.232 177.630 177.300 0.164 0.000 1.205 237 P CA -0.279 62.887 63.100 0.110 0.000 0.771 237 P CB 0.740 32.537 31.700 0.162 0.000 0.858 238 K N 3.943 124.420 120.400 0.129 0.000 2.090 238 K HA -0.312 4.008 4.320 0.001 0.000 0.218 238 K C 1.591 178.317 176.600 0.210 0.000 1.055 238 K CA 2.197 58.579 56.287 0.158 0.000 0.941 238 K CB -0.241 32.322 32.500 0.106 0.000 0.722 238 K HN 0.232 nan 8.250 nan 0.000 0.458 239 K N -0.185 120.311 120.400 0.160 0.000 2.057 239 K HA -0.104 4.216 4.320 0.001 0.000 0.207 239 K C 2.048 178.730 176.600 0.137 0.000 1.049 239 K CA 1.638 57.998 56.287 0.122 0.000 0.931 239 K CB -0.025 32.519 32.500 0.073 0.000 0.714 239 K HN 0.074 nan 8.250 nan 0.000 0.440 240 V N 1.083 121.103 119.914 0.175 0.000 2.343 240 V HA -0.240 3.880 4.120 0.001 0.000 0.247 240 V C 1.964 178.154 176.094 0.161 0.000 1.051 240 V CA 1.626 64.040 62.300 0.190 0.000 1.036 240 V CB -0.573 31.401 31.823 0.253 0.000 0.654 240 V HN 0.242 nan 8.190 nan 0.000 0.451 241 F N 1.681 121.671 119.950 0.067 0.000 2.046 241 F HA -0.226 4.301 4.527 0.001 0.000 0.297 241 F C 2.426 178.262 175.800 0.060 0.000 1.123 241 F CA 2.323 60.361 58.000 0.063 0.000 1.199 241 F CB -0.387 38.654 39.000 0.068 0.000 0.972 241 F HN 0.199 nan 8.300 nan 0.000 0.474 242 E N 0.245 120.483 120.200 0.063 0.000 2.118 242 E HA -0.216 4.135 4.350 0.001 0.000 0.195 242 E C 2.289 178.813 176.600 -0.126 0.000 0.992 242 E CA 1.129 57.493 56.400 -0.060 0.000 0.804 242 E CB -0.459 29.287 29.700 0.076 0.000 0.741 242 E HN 0.535 nan 8.360 nan 0.000 0.458 243 A N 1.252 124.036 122.820 -0.059 0.000 1.929 243 A HA 0.010 4.331 4.320 0.001 0.000 0.216 243 A C 2.348 179.870 177.584 -0.104 0.000 1.176 243 A CA 1.400 53.403 52.037 -0.057 0.000 0.628 243 A CB -0.484 18.520 19.000 0.007 0.000 0.816 243 A HN 0.285 nan 8.150 nan 0.000 0.444 244 A N -0.448 122.295 122.820 -0.128 0.000 1.873 244 A HA 0.034 4.354 4.320 0.001 0.000 0.215 244 A C 2.176 179.634 177.584 -0.210 0.000 1.186 244 A CA 1.643 53.594 52.037 -0.144 0.000 0.616 244 A CB -0.977 17.951 19.000 -0.121 0.000 0.823 244 A HN 0.380 nan 8.150 nan 0.000 0.442 245 V N 0.589 120.286 119.914 -0.362 0.000 2.392 245 V HA -0.300 3.820 4.120 0.001 0.000 0.249 245 V C 2.545 178.354 176.094 -0.476 0.000 1.059 245 V CA 2.492 64.519 62.300 -0.454 0.000 1.051 245 V CB -0.737 30.701 31.823 -0.641 0.000 0.658 245 V HN 0.746 nan 8.190 nan 0.000 0.455 246 K N -0.062 120.137 120.400 -0.335 0.000 2.025 246 K HA -0.175 4.146 4.320 0.001 0.000 0.207 246 K C 2.471 178.942 176.600 -0.216 0.000 1.049 246 K CA 1.776 57.902 56.287 -0.268 0.000 0.933 246 K CB -0.381 32.015 32.500 -0.172 0.000 0.714 246 K HN 0.333 nan 8.250 nan 0.000 0.438 247 S N 0.387 115.992 115.700 -0.159 0.000 2.382 247 S HA -0.063 4.407 4.470 0.001 0.000 0.228 247 S C 1.831 176.378 174.600 -0.088 0.000 1.027 247 S CA 1.222 59.361 58.200 -0.101 0.000 0.991 247 S CB -0.283 62.877 63.200 -0.068 0.000 0.823 247 S HN 0.360 nan 8.310 nan 0.000 0.469 248 I N 1.001 121.501 120.570 -0.115 0.000 2.315 248 I HA -0.168 4.002 4.170 0.001 0.000 0.248 248 I C 2.449 178.519 176.117 -0.078 0.000 1.117 248 I CA 1.079 62.368 61.300 -0.017 0.000 1.404 248 I CB -0.308 37.753 38.000 0.101 0.000 1.071 248 I HN 0.234 nan 8.210 nan 0.000 0.419 249 K N 1.235 121.422 120.400 -0.357 0.000 2.026 249 K HA -0.136 4.185 4.320 0.001 0.000 0.208 249 K C 2.357 178.896 176.600 -0.101 0.000 1.048 249 K CA 1.541 57.640 56.287 -0.312 0.000 0.929 249 K CB -0.345 31.858 32.500 -0.495 0.000 0.713 249 K HN 0.289 nan 8.250 nan 0.000 0.439 250 A N 1.842 124.595 122.820 -0.110 0.000 1.892 250 A HA -0.203 4.117 4.320 0.001 0.000 0.218 250 A C 2.440 180.008 177.584 -0.026 0.000 1.188 250 A CA 2.185 54.185 52.037 -0.061 0.000 0.631 250 A CB -0.839 18.124 19.000 -0.062 0.000 0.822 250 A HN 0.367 nan 8.150 nan 0.000 0.447 251 A N 0.005 122.822 122.820 -0.006 0.000 1.902 251 A HA -0.053 4.267 4.320 0.001 0.000 0.217 251 A C 2.349 179.938 177.584 0.009 0.000 1.181 251 A CA 2.217 54.265 52.037 0.018 0.000 0.623 251 A CB -0.844 18.190 19.000 0.057 0.000 0.818 251 A HN 1.075 nan 8.150 nan 0.000 0.443 252 S N 0.268 115.980 115.700 0.021 0.000 2.593 252 S HA -0.018 4.453 4.470 0.001 0.000 0.217 252 S C 1.692 176.297 174.600 0.007 0.000 0.966 252 S CA 0.897 59.078 58.200 -0.031 0.000 0.914 252 S CB -0.613 62.553 63.200 -0.056 0.000 0.776 252 S HN 0.903 nan 8.310 nan 0.000 0.523 253 S N 1.673 117.375 115.700 0.003 0.000 2.428 253 S HA -0.261 4.210 4.470 0.001 0.000 0.240 253 S C 1.772 176.341 174.600 -0.051 0.000 1.036 253 S CA 1.912 60.102 58.200 -0.017 0.000 1.009 253 S CB -1.844 61.340 63.200 -0.027 0.000 0.803 253 S HN 0.550 nan 8.310 nan 0.000 0.486 254 T N 1.009 115.529 114.554 -0.056 0.000 2.869 254 T HA -0.051 4.299 4.350 0.001 0.000 0.270 254 T C 0.411 175.049 174.700 -0.104 0.000 1.082 254 T CA 1.169 63.228 62.100 -0.068 0.000 1.123 254 T CB -0.346 68.486 68.868 -0.058 0.000 0.856 254 T HN 0.680 nan 8.240 nan 0.000 0.499 255 E N 0.422 120.527 120.200 -0.158 0.000 2.292 255 E HA 0.427 4.777 4.350 0.001 0.000 0.272 255 E C -1.278 175.015 176.600 -0.512 0.000 0.881 255 E CA -0.814 55.391 56.400 -0.325 0.000 0.754 255 E CB 1.830 31.319 29.700 -0.352 0.000 1.201 255 E HN -0.040 nan 8.360 nan 0.000 0.425 256 K N 2.590 122.684 120.400 -0.509 0.000 2.138 256 K HA 0.488 4.808 4.320 0.001 0.000 0.263 256 K C -1.672 174.570 176.600 -0.596 0.000 0.965 256 K CA -0.119 55.947 56.287 -0.370 0.000 0.868 256 K CB 0.526 32.941 32.500 -0.143 0.000 1.083 256 K HN 0.266 nan 8.250 nan 0.000 0.443 257 F N 3.786 123.837 119.950 0.167 0.000 2.577 257 F HA 0.498 5.025 4.527 0.001 0.000 0.318 257 F C -1.841 174.048 175.800 0.149 0.000 1.065 257 F CA -2.132 55.896 58.000 0.047 0.000 0.929 257 F CB 1.719 40.645 39.000 -0.122 0.000 1.237 257 F HN 0.502 nan 8.300 nan 0.000 0.468 258 P HA 0.087 nan 4.420 nan 0.000 0.274 258 P C -0.204 177.280 177.300 0.307 0.000 1.231 258 P CA -0.139 63.085 63.100 0.208 0.000 0.790 258 P CB 1.011 32.777 31.700 0.109 0.000 0.951 259 D N 1.535 122.115 120.400 0.301 0.000 2.354 259 D HA -0.084 4.556 4.640 0.001 0.000 0.216 259 D C 2.038 178.504 176.300 0.276 0.000 0.970 259 D CA 1.341 55.551 54.000 0.350 0.000 0.905 259 D CB -0.578 40.364 40.800 0.235 0.000 0.903 259 D HN 0.618 nan 8.370 nan 0.000 0.508 260 G N -0.271 108.649 108.800 0.200 0.000 2.464 260 G HA2 -0.221 3.739 3.960 0.001 0.000 0.217 260 G HA3 -0.221 3.739 3.960 0.001 0.000 0.217 260 G C 1.345 176.341 174.900 0.160 0.000 1.138 260 G CA -0.078 45.118 45.100 0.160 0.000 0.793 260 G HN 0.193 nan 8.290 nan 0.000 0.539 261 F N 1.079 120.982 119.950 -0.079 0.000 2.031 261 F HA -0.046 4.481 4.527 0.001 0.000 0.295 261 F C 2.299 177.943 175.800 -0.260 0.000 1.133 261 F CA 1.104 58.934 58.000 -0.284 0.000 1.188 261 F CB -0.744 37.873 39.000 -0.638 0.000 0.974 261 F HN 0.254 nan 8.300 nan 0.000 0.473 262 W N 0.426 121.605 121.300 -0.201 0.000 2.387 262 W HA -0.127 4.534 4.660 0.001 0.000 0.272 262 W C 1.966 178.561 176.519 0.126 0.000 1.224 262 W CA 0.617 57.735 57.345 -0.379 0.000 1.210 262 W CB -0.745 28.579 29.460 -0.227 0.000 1.125 262 W HN 0.037 nan 8.180 nan 0.000 0.572 263 L N 0.220 121.630 121.223 0.312 0.000 2.592 263 L HA 0.297 4.638 4.340 0.001 0.000 0.227 263 L C 1.987 178.980 176.870 0.205 0.000 1.127 263 L CA 0.604 55.621 54.840 0.294 0.000 0.884 263 L CB -0.708 41.481 42.059 0.217 0.000 1.065 263 L HN 0.235 nan 8.230 nan 0.000 0.457 264 G N 0.366 109.273 108.800 0.178 0.000 2.168 264 G HA2 -0.332 3.628 3.960 0.001 0.000 0.263 264 G HA3 -0.332 3.628 3.960 0.001 0.000 0.263 264 G C 0.745 175.709 174.900 0.105 0.000 0.977 264 G CA 0.729 45.909 45.100 0.133 0.000 0.659 264 G HN 0.543 nan 8.290 nan 0.000 0.533 265 E N 0.013 120.277 120.200 0.107 0.000 2.435 265 E HA 0.109 4.459 4.350 0.001 0.000 0.195 265 E C 1.215 177.866 176.600 0.086 0.000 1.029 265 E CA 1.075 57.528 56.400 0.089 0.000 0.865 265 E CB 0.022 29.773 29.700 0.086 0.000 0.833 265 E HN 0.882 nan 8.360 nan 0.000 0.510 266 Q N 0.516 120.381 119.800 0.109 0.000 2.462 266 Q HA 0.478 4.819 4.340 0.001 0.000 0.285 266 Q C -1.091 174.996 176.000 0.144 0.000 1.035 266 Q CA -1.206 54.655 55.803 0.097 0.000 0.799 266 Q CB 1.379 30.161 28.738 0.074 0.000 1.452 266 Q HN -0.077 nan 8.270 nan 0.000 0.404 267 L N -0.948 120.325 121.223 0.084 0.000 2.358 267 L HA 0.829 5.169 4.340 0.001 0.000 0.268 267 L C -0.381 176.450 176.870 -0.064 0.000 1.032 267 L CA -1.118 53.775 54.840 0.089 0.000 0.805 267 L CB 0.720 42.813 42.059 0.057 0.000 1.253 267 L HN 0.486 nan 8.230 nan 0.000 0.452 268 V N -0.015 119.801 119.914 -0.164 0.000 2.495 268 V HA 0.578 4.698 4.120 0.001 0.000 0.298 268 V C -0.522 175.296 176.094 -0.459 0.000 1.031 268 V CA -0.250 61.732 62.300 -0.530 0.000 0.871 268 V CB 1.647 32.822 31.823 -1.080 0.000 0.988 268 V HN 1.011 nan 8.190 nan 0.000 0.432 269 c N 4.482 122.754 118.600 -0.547 0.000 2.507 269 c HA 0.689 5.259 4.570 0.001 0.000 0.319 269 c C -0.569 173.274 174.090 -0.413 0.000 1.208 269 c CA -1.062 55.081 56.329 -0.309 0.000 1.619 269 c CB 1.253 43.663 42.510 -0.168 0.000 2.230 269 c HN 0.860 nan 8.230 nan 0.000 0.492 270 W N 0.835 122.146 121.300 0.018 0.000 2.902 270 W HA 0.439 5.099 4.660 0.001 0.000 0.346 270 W C -0.241 176.278 176.519 0.000 0.000 1.139 270 W CA -0.466 56.884 57.345 0.008 0.000 1.139 270 W CB 1.415 30.876 29.460 0.002 0.000 1.439 270 W HN 0.693 nan 8.180 nan 0.000 0.558 271 Q N 1.852 121.794 119.800 0.236 0.000 2.349 271 Q HA 0.340 4.680 4.340 0.001 0.000 0.287 271 Q C -0.006 176.073 176.000 0.130 0.000 1.044 271 Q CA 0.291 56.172 55.803 0.130 0.000 0.918 271 Q CB 0.914 29.709 28.738 0.096 0.000 1.242 271 Q HN 0.395 nan 8.270 nan 0.000 0.405 272 A N 3.646 126.519 122.820 0.088 0.000 2.598 272 A HA 0.360 4.681 4.320 0.001 0.000 0.239 272 A C 1.289 178.921 177.584 0.079 0.000 1.032 272 A CA 0.740 52.823 52.037 0.078 0.000 0.760 272 A CB -1.207 17.822 19.000 0.049 0.000 0.946 272 A HN 1.983 nan 8.150 nan 0.000 0.512 273 G N 1.851 110.708 108.800 0.094 0.000 2.233 273 G HA2 -0.228 3.733 3.960 0.001 0.000 0.270 273 G HA3 -0.228 3.733 3.960 0.001 0.000 0.270 273 G C 0.737 175.672 174.900 0.058 0.000 1.011 273 G CA 1.522 46.676 45.100 0.090 0.000 0.762 273 G HN 2.357 nan 8.290 nan 0.000 0.511 274 T N -2.965 111.608 114.554 0.032 0.000 3.132 274 T HA 0.390 4.741 4.350 0.001 0.000 0.274 274 T C 0.884 175.436 174.700 -0.246 0.000 1.011 274 T CA 0.856 62.937 62.100 -0.031 0.000 0.899 274 T CB 0.334 69.226 68.868 0.040 0.000 1.089 274 T HN 0.353 nan 8.240 nan 0.000 0.543 275 T N 5.884 120.183 114.554 -0.425 0.000 2.871 275 T HA 0.192 4.543 4.350 0.001 0.000 0.296 275 T C -2.261 171.794 174.700 -1.076 0.000 0.998 275 T CA -0.484 60.932 62.100 -1.140 0.000 1.162 275 T CB 0.721 68.659 68.868 -1.551 0.000 0.947 275 T HN 0.253 nan 8.240 nan 0.000 0.536 276 P HA 0.161 nan 4.420 nan 0.000 0.219 276 P C 0.128 177.266 177.300 -0.270 0.000 1.832 276 P CA -0.461 62.349 63.100 -0.483 0.000 1.014 276 P CB -0.233 31.270 31.700 -0.327 0.000 1.939 277 W N 2.356 123.585 121.300 -0.118 0.000 2.321 277 W HA -0.267 4.394 4.660 0.001 0.000 0.306 277 W C 2.172 178.746 176.519 0.092 0.000 1.217 277 W CA 1.605 58.938 57.345 -0.019 0.000 1.257 277 W CB -1.568 27.858 29.460 -0.057 0.000 1.145 277 W HN 0.312 nan 8.180 nan 0.000 0.509 278 N N 1.707 120.548 118.700 0.234 0.000 2.334 278 N HA -0.232 4.509 4.740 0.001 0.000 0.187 278 N C 1.495 177.053 175.510 0.081 0.000 1.016 278 N CA 1.905 55.018 53.050 0.105 0.000 0.879 278 N CB -0.956 37.497 38.487 -0.057 0.000 0.965 278 N HN 0.422 nan 8.380 nan 0.000 0.438 279 I N -3.662 116.942 120.570 0.057 0.000 2.761 279 I HA 0.168 4.338 4.170 0.001 0.000 0.261 279 I C -0.276 175.802 176.117 -0.066 0.000 1.198 279 I CA 0.070 61.337 61.300 -0.054 0.000 1.482 279 I CB -0.245 37.660 38.000 -0.159 0.000 1.100 279 I HN -0.128 nan 8.210 nan 0.000 0.445 280 F N 3.551 123.608 119.950 0.178 0.000 2.385 280 F HA 0.534 5.061 4.527 0.001 0.000 0.336 280 F C -2.029 173.931 175.800 0.267 0.000 1.100 280 F CA -2.585 55.582 58.000 0.278 0.000 1.116 280 F CB 0.493 39.669 39.000 0.294 0.000 1.166 280 F HN -0.127 nan 8.300 nan 0.000 0.511 281 P HA 0.266 nan 4.420 nan 0.000 0.281 281 P C -0.813 176.712 177.300 0.375 0.000 1.264 281 P CA -0.404 62.889 63.100 0.322 0.000 0.824 281 P CB 1.732 33.569 31.700 0.228 0.000 1.092 282 V N -0.322 119.739 119.914 0.244 0.000 2.953 282 V HA 0.506 4.627 4.120 0.001 0.000 0.304 282 V C 0.039 176.233 176.094 0.167 0.000 1.073 282 V CA -0.428 62.005 62.300 0.222 0.000 1.064 282 V CB 0.202 32.105 31.823 0.133 0.000 1.047 282 V HN 0.322 nan 8.190 nan 0.000 0.478 283 I N 2.126 122.779 120.570 0.139 0.000 2.545 283 I HA 0.547 4.717 4.170 0.001 0.000 0.292 283 I C -0.323 175.791 176.117 -0.005 0.000 1.040 283 I CA -0.304 61.021 61.300 0.040 0.000 1.068 283 I CB 2.326 40.319 38.000 -0.011 0.000 1.251 283 I HN 0.739 nan 8.210 nan 0.000 0.424 284 S N 6.462 122.122 115.700 -0.066 0.000 2.561 284 S HA 0.621 5.091 4.470 0.001 0.000 0.303 284 S C -0.624 173.857 174.600 -0.198 0.000 1.110 284 S CA -0.659 57.446 58.200 -0.160 0.000 1.034 284 S CB 1.539 64.609 63.200 -0.217 0.000 1.010 284 S HN 0.331 nan 8.310 nan 0.000 0.482 285 L N 3.390 124.440 121.223 -0.289 0.000 2.296 285 L HA 0.504 4.844 4.340 0.001 0.000 0.286 285 L C -1.248 175.359 176.870 -0.438 0.000 1.023 285 L CA -0.775 53.885 54.840 -0.300 0.000 0.812 285 L CB 0.607 42.486 42.059 -0.301 0.000 1.223 285 L HN 0.628 nan 8.230 nan 0.000 0.421 286 Y N 3.736 123.800 120.300 -0.393 0.000 2.313 286 Y HA 0.478 5.029 4.550 0.001 0.000 0.332 286 Y C 0.158 175.783 175.900 -0.457 0.000 1.071 286 Y CA -0.223 57.616 58.100 -0.435 0.000 1.169 286 Y CB 1.268 39.529 38.460 -0.332 0.000 1.192 286 Y HN 0.373 nan 8.280 nan 0.000 0.487 287 L N 4.503 125.360 121.223 -0.609 0.000 2.334 287 L HA 0.483 4.823 4.340 0.001 0.000 0.273 287 L C 0.035 176.701 176.870 -0.341 0.000 1.013 287 L CA -1.103 53.416 54.840 -0.536 0.000 0.816 287 L CB 1.696 43.270 42.059 -0.809 0.000 1.278 287 L HN 0.603 nan 8.230 nan 0.000 0.431 288 M N 2.023 121.571 119.600 -0.086 0.000 2.269 288 M HA 0.219 4.699 4.480 0.001 0.000 0.350 288 M C 0.568 176.966 176.300 0.163 0.000 1.429 288 M CA 0.197 55.525 55.300 0.048 0.000 1.063 288 M CB 0.693 33.341 32.600 0.080 0.000 1.841 288 M HN 0.725 nan 8.290 nan 0.000 0.455 289 G N 3.884 112.830 108.800 0.244 0.000 2.525 289 G HA2 0.120 4.081 3.960 0.001 0.000 0.276 289 G HA3 0.120 4.081 3.960 0.001 0.000 0.276 289 G C 0.142 175.213 174.900 0.286 0.000 1.388 289 G CA -0.265 45.074 45.100 0.398 0.000 1.050 289 G HN 0.908 nan 8.290 nan 0.000 0.520 290 E N -1.800 118.557 120.200 0.262 0.000 2.340 290 E HA 0.096 4.446 4.350 0.001 0.000 0.198 290 E C 0.417 177.094 176.600 0.128 0.000 0.961 290 E CA -0.081 56.421 56.400 0.170 0.000 0.905 290 E CB 0.668 30.448 29.700 0.135 0.000 0.884 290 E HN 0.103 nan 8.360 nan 0.000 0.491 291 V N 2.873 122.873 119.914 0.143 0.000 2.607 291 V HA 0.051 4.171 4.120 0.001 0.000 0.289 291 V C 0.554 176.713 176.094 0.108 0.000 1.053 291 V CA -0.586 61.780 62.300 0.110 0.000 0.996 291 V CB 1.266 33.156 31.823 0.112 0.000 0.995 291 V HN 0.244 nan 8.190 nan 0.000 0.476 292 T N 2.218 116.821 114.554 0.081 0.000 2.908 292 T HA 0.078 4.429 4.350 0.001 0.000 0.301 292 T C 0.551 175.296 174.700 0.075 0.000 1.019 292 T CA -0.166 61.977 62.100 0.072 0.000 1.152 292 T CB -0.147 68.753 68.868 0.052 0.000 0.966 292 T HN 0.793 nan 8.240 nan 0.000 0.540 293 N N 0.734 119.478 118.700 0.074 0.000 2.754 293 N HA -0.168 4.572 4.740 0.001 0.000 0.248 293 N C -0.494 175.074 175.510 0.096 0.000 1.093 293 N CA 0.810 53.903 53.050 0.072 0.000 0.699 293 N CB -1.143 37.378 38.487 0.057 0.000 1.016 293 N HN 0.891 nan 8.380 nan 0.000 0.552 294 Q N -0.111 119.763 119.800 0.123 0.000 2.305 294 Q HA 0.577 4.917 4.340 0.001 0.000 0.271 294 Q C -0.760 175.362 176.000 0.203 0.000 1.046 294 Q CA -0.489 55.412 55.803 0.164 0.000 0.798 294 Q CB 1.933 30.780 28.738 0.182 0.000 1.286 294 Q HN 0.355 nan 8.270 nan 0.000 0.435 295 S N 1.715 117.553 115.700 0.231 0.000 2.661 295 S HA 0.883 5.353 4.470 0.001 0.000 0.285 295 S C -0.919 173.864 174.600 0.305 0.000 1.138 295 S CA -0.671 57.666 58.200 0.227 0.000 0.855 295 S CB 1.383 64.698 63.200 0.192 0.000 1.136 295 S HN 0.529 nan 8.310 nan 0.000 0.484 296 F N -1.152 118.826 119.950 0.047 0.000 2.664 296 F HA 0.892 5.419 4.527 0.001 0.000 0.317 296 F C -0.676 174.955 175.800 -0.281 0.000 1.108 296 F CA -1.336 56.557 58.000 -0.179 0.000 0.957 296 F CB 1.383 39.987 39.000 -0.660 0.000 1.365 296 F HN 0.939 nan 8.300 nan 0.000 0.475 297 R N 1.868 122.146 120.500 -0.371 0.000 2.750 297 R HA 0.839 5.179 4.340 0.001 0.000 0.281 297 R C -1.432 174.599 176.300 -0.449 0.000 0.972 297 R CA -0.944 54.709 56.100 -0.746 0.000 0.912 297 R CB 2.460 31.966 30.300 -1.323 0.000 1.187 297 R HN 0.982 nan 8.270 nan 0.000 0.464 298 I N -0.988 119.260 120.570 -0.537 0.000 2.493 298 I HA 0.612 4.782 4.170 0.001 0.000 0.298 298 I C -1.053 174.949 176.117 -0.192 0.000 0.998 298 I CA -0.739 60.292 61.300 -0.448 0.000 1.137 298 I CB 2.590 40.003 38.000 -0.978 0.000 1.310 298 I HN 0.561 nan 8.210 nan 0.000 0.445 299 T N 6.936 121.544 114.554 0.090 0.000 2.928 299 T HA 0.576 4.926 4.350 0.001 0.000 0.296 299 T C -0.276 174.533 174.700 0.182 0.000 1.000 299 T CA -0.448 61.704 62.100 0.086 0.000 0.989 299 T CB 1.510 70.385 68.868 0.013 0.000 1.005 299 T HN 0.697 nan 8.240 nan 0.000 0.442 300 I N 1.122 121.783 120.570 0.150 0.000 2.750 300 I HA 0.766 4.937 4.170 0.001 0.000 0.308 300 I C -1.081 175.121 176.117 0.142 0.000 1.016 300 I CA -1.369 59.992 61.300 0.101 0.000 1.098 300 I CB 1.379 39.463 38.000 0.140 0.000 1.279 300 I HN 0.475 nan 8.210 nan 0.000 0.454 301 L N 2.892 124.154 121.223 0.065 0.000 2.335 301 L HA 0.573 4.914 4.340 0.001 0.000 0.268 301 L C -1.664 175.085 176.870 -0.203 0.000 1.016 301 L CA -1.783 53.073 54.840 0.027 0.000 0.805 301 L CB 0.880 42.907 42.059 -0.052 0.000 1.311 301 L HN 0.383 nan 8.230 nan 0.000 0.456 302 P HA -0.141 nan 4.420 nan 0.000 0.220 302 P C 0.988 177.964 177.300 -0.541 0.000 1.148 302 P CA 1.101 63.641 63.100 -0.932 0.000 0.803 302 P CB 0.211 31.770 31.700 -0.235 0.000 0.782 303 Q N -0.731 118.723 119.800 -0.576 0.000 2.364 303 Q HA -0.161 4.179 4.340 0.001 0.000 0.209 303 Q C 2.133 177.968 176.000 -0.274 0.000 0.977 303 Q CA 1.402 56.803 55.803 -0.671 0.000 0.885 303 Q CB -0.424 27.848 28.738 -0.778 0.000 0.941 303 Q HN 0.308 nan 8.270 nan 0.000 0.464 304 Q N -1.914 117.758 119.800 -0.213 0.000 2.287 304 Q HA -0.006 4.334 4.340 0.001 0.000 0.201 304 Q C 1.197 177.211 176.000 0.023 0.000 0.946 304 Q CA 0.834 56.601 55.803 -0.060 0.000 0.868 304 Q CB 0.137 28.867 28.738 -0.013 0.000 0.967 304 Q HN 0.671 nan 8.270 nan 0.000 0.516 305 Y N -1.596 118.705 120.300 0.003 0.000 2.511 305 Y HA 0.384 4.934 4.550 0.001 0.000 0.279 305 Y C -0.055 175.834 175.900 -0.018 0.000 1.157 305 Y CA -0.170 57.910 58.100 -0.034 0.000 1.300 305 Y CB 0.077 38.498 38.460 -0.065 0.000 1.052 305 Y HN -0.173 nan 8.280 nan 0.000 0.529 306 L N 4.032 125.218 121.223 -0.062 0.000 2.297 306 L HA 0.401 4.741 4.340 0.001 0.000 0.277 306 L C -0.033 176.971 176.870 0.224 0.000 1.040 306 L CA -0.575 54.304 54.840 0.065 0.000 0.867 306 L CB 0.905 42.876 42.059 -0.145 0.000 1.244 306 L HN 0.210 nan 8.230 nan 0.000 0.433 307 R N 5.489 126.132 120.500 0.238 0.000 2.254 307 R HA 0.404 4.744 4.340 0.001 0.000 0.318 307 R C -2.502 173.964 176.300 0.276 0.000 1.031 307 R CA -1.469 54.770 56.100 0.232 0.000 0.905 307 R CB 1.092 31.475 30.300 0.137 0.000 1.050 307 R HN 0.169 nan 8.270 nan 0.000 0.456 308 P HA -0.012 nan 4.420 nan 0.000 0.263 308 P C -0.951 176.338 177.300 -0.019 0.000 1.195 308 P CA -0.079 63.029 63.100 0.013 0.000 0.762 308 P CB 0.923 32.631 31.700 0.013 0.000 0.799 309 V N 2.175 122.045 119.914 -0.073 0.000 3.126 309 V HA 0.445 4.565 4.120 0.001 0.000 0.314 309 V C 0.078 176.131 176.094 -0.069 0.000 1.138 309 V CA -1.001 61.276 62.300 -0.038 0.000 1.034 309 V CB 2.023 33.849 31.823 0.006 0.000 1.075 309 V HN 0.350 nan 8.190 nan 0.000 0.442 310 E N 1.307 121.481 120.200 -0.044 0.000 2.227 310 E HA 0.260 4.611 4.350 0.001 0.000 0.282 310 E C -0.211 176.364 176.600 -0.041 0.000 1.015 310 E CA -0.211 56.161 56.400 -0.047 0.000 0.823 310 E CB 0.934 30.613 29.700 -0.035 0.000 1.081 310 E HN 0.678 nan 8.360 nan 0.000 0.396 311 D N 2.073 122.443 120.400 -0.049 0.000 2.111 311 D HA -0.033 4.607 4.640 0.001 0.000 0.247 311 D C -0.491 175.791 176.300 -0.031 0.000 1.266 311 D CA 0.277 54.251 54.000 -0.044 0.000 0.959 311 D CB 0.508 41.279 40.800 -0.047 0.000 1.258 311 D HN 0.236 nan 8.370 nan 0.000 0.534 312 V N -2.327 117.569 119.914 -0.029 0.000 2.318 312 V HA 0.645 4.765 4.120 0.001 0.000 0.271 312 V C 0.959 177.041 176.094 -0.020 0.000 1.030 312 V CA 0.137 62.424 62.300 -0.021 0.000 0.844 312 V CB -0.205 31.607 31.823 -0.019 0.000 1.015 312 V HN 0.804 nan 8.190 nan 0.000 0.460 313 A N 3.963 126.772 122.820 -0.018 0.000 1.282 313 A HA -0.249 4.071 4.320 0.001 0.000 0.224 313 A C 1.266 178.839 177.584 -0.018 0.000 0.457 313 A CA 1.937 53.965 52.037 -0.016 0.000 1.095 313 A CB -2.777 16.215 19.000 -0.014 0.000 1.470 313 A HN 1.143 nan 8.150 nan 0.000 0.723 314 T N 0.357 114.899 114.554 -0.020 0.000 2.791 314 T HA 0.386 4.736 4.350 0.001 0.000 0.323 314 T C 1.492 176.178 174.700 -0.024 0.000 1.082 314 T CA 1.145 63.233 62.100 -0.021 0.000 1.084 314 T CB 1.057 69.912 68.868 -0.022 0.000 0.992 314 T HN 1.753 nan 8.240 nan 0.000 0.547 315 S N -0.114 115.573 115.700 -0.022 0.000 2.663 315 S HA 0.069 4.540 4.470 0.001 0.000 0.247 315 S C 1.544 176.131 174.600 -0.022 0.000 1.074 315 S CA -0.085 58.100 58.200 -0.024 0.000 0.955 315 S CB -0.274 62.914 63.200 -0.020 0.000 0.901 315 S HN 0.648 nan 8.310 nan 0.000 0.505 316 Q N 1.135 120.926 119.800 -0.015 0.000 1.880 316 Q HA -0.175 4.165 4.340 0.001 0.000 0.243 316 Q C -0.230 175.768 176.000 -0.003 0.000 1.047 316 Q CA 2.185 57.984 55.803 -0.007 0.000 0.893 316 Q CB -0.623 28.113 28.738 -0.004 0.000 0.999 316 Q HN 0.571 nan 8.270 nan 0.000 0.419 317 D N 1.013 121.410 120.400 -0.004 0.000 2.370 317 D HA -0.022 4.618 4.640 0.001 0.000 0.235 317 D C -0.724 175.569 176.300 -0.011 0.000 1.228 317 D CA 0.614 54.620 54.000 0.009 0.000 0.884 317 D CB 0.211 41.008 40.800 -0.004 0.000 1.201 317 D HN 0.105 nan 8.370 nan 0.000 0.456 318 D N 0.461 120.876 120.400 0.025 0.000 2.443 318 D HA 0.197 4.837 4.640 0.001 0.000 0.221 318 D C -0.584 175.595 176.300 -0.201 0.000 1.097 318 D CA -0.274 53.678 54.000 -0.080 0.000 0.865 318 D CB 0.284 41.120 40.800 0.061 0.000 1.034 318 D HN 0.166 nan 8.370 nan 0.000 0.511 319 c N 3.333 121.735 118.600 -0.329 0.000 2.350 319 c HA 0.540 5.111 4.570 0.001 0.000 0.348 319 c C -0.273 173.582 174.090 -0.391 0.000 1.260 319 c CA -0.760 55.416 56.329 -0.255 0.000 1.966 319 c CB -0.778 41.654 42.510 -0.130 0.000 2.380 319 c HN 0.459 nan 8.230 nan 0.000 0.535 320 Y N 0.698 121.049 120.300 0.084 0.000 2.512 320 Y HA 0.583 5.134 4.550 0.001 0.000 0.348 320 Y C -0.003 176.004 175.900 0.179 0.000 0.990 320 Y CA -0.941 57.243 58.100 0.139 0.000 1.033 320 Y CB 1.261 39.835 38.460 0.190 0.000 1.259 320 Y HN 0.579 nan 8.280 nan 0.000 0.461 321 K N 2.185 122.789 120.400 0.339 0.000 2.221 321 K HA 0.441 4.761 4.320 0.001 0.000 0.258 321 K C -1.360 175.389 176.600 0.248 0.000 0.944 321 K CA -0.673 55.777 56.287 0.272 0.000 0.823 321 K CB 0.942 33.538 32.500 0.160 0.000 1.113 321 K HN 0.612 nan 8.250 nan 0.000 0.431 322 F N 3.731 123.608 119.950 -0.121 0.000 2.519 322 F HA 0.195 4.722 4.527 0.001 0.000 0.375 322 F C 0.345 176.130 175.800 -0.024 0.000 1.084 322 F CA -0.155 57.684 58.000 -0.268 0.000 1.147 322 F CB 0.495 39.034 39.000 -0.770 0.000 1.088 322 F HN 0.685 nan 8.300 nan 0.000 0.555 323 A N 7.883 130.592 122.820 -0.185 0.000 2.532 323 A HA 0.357 4.677 4.320 0.001 0.000 0.273 323 A C 0.193 177.624 177.584 -0.254 0.000 1.342 323 A CA -0.209 51.746 52.037 -0.136 0.000 0.929 323 A CB -1.043 17.958 19.000 0.003 0.000 1.051 323 A HN 0.593 nan 8.150 nan 0.000 0.521 324 I N 1.630 121.835 120.570 -0.609 0.000 2.382 324 I HA 0.307 4.477 4.170 0.001 0.000 0.286 324 I C -0.163 175.931 176.117 -0.038 0.000 1.002 324 I CA -0.310 60.742 61.300 -0.414 0.000 1.135 324 I CB 1.890 39.505 38.000 -0.642 0.000 1.288 324 I HN 0.292 nan 8.210 nan 0.000 0.448 325 S N 4.431 120.140 115.700 0.015 0.000 2.634 325 S HA 0.486 4.957 4.470 0.001 0.000 0.296 325 S C -0.686 173.667 174.600 -0.412 0.000 1.104 325 S CA -0.910 57.199 58.200 -0.152 0.000 0.920 325 S CB 2.206 65.334 63.200 -0.121 0.000 1.111 325 S HN 0.627 nan 8.310 nan 0.000 0.493 326 Q N 0.388 119.653 119.800 -0.893 0.000 2.394 326 Q HA 0.460 4.801 4.340 0.001 0.000 0.248 326 Q C -0.585 175.254 176.000 -0.269 0.000 0.992 326 Q CA -0.068 55.315 55.803 -0.699 0.000 0.888 326 Q CB 0.872 29.183 28.738 -0.711 0.000 1.257 326 Q HN 0.755 nan 8.270 nan 0.000 0.462 327 S N 0.153 115.767 115.700 -0.144 0.000 2.548 327 S HA 0.385 4.855 4.470 0.001 0.000 0.286 327 S C -0.187 174.363 174.600 -0.084 0.000 1.098 327 S CA -0.190 57.953 58.200 -0.094 0.000 0.930 327 S CB 1.548 64.710 63.200 -0.065 0.000 1.070 327 S HN 0.684 nan 8.310 nan 0.000 0.480 328 S N 1.197 116.838 115.700 -0.098 0.000 2.603 328 S HA 0.161 4.632 4.470 0.001 0.000 0.232 328 S C 0.495 174.993 174.600 -0.171 0.000 1.016 328 S CA 0.348 58.480 58.200 -0.112 0.000 0.976 328 S CB -0.063 63.087 63.200 -0.083 0.000 0.921 328 S HN 0.805 nan 8.310 nan 0.000 0.516 329 T N -0.772 113.685 114.554 -0.162 0.000 3.380 329 T HA 0.649 5.000 4.350 0.001 0.000 0.289 329 T C 0.852 175.426 174.700 -0.209 0.000 1.012 329 T CA -0.076 61.913 62.100 -0.185 0.000 0.944 329 T CB 0.056 68.850 68.868 -0.123 0.000 1.172 329 T HN 1.210 nan 8.240 nan 0.000 0.502 330 G N 1.266 109.930 108.800 -0.227 0.000 2.757 330 G HA2 -0.112 3.848 3.960 0.001 0.000 0.638 330 G HA3 -0.112 3.848 3.960 0.001 0.000 0.638 330 G C -0.376 174.476 174.900 -0.081 0.000 1.344 330 G CA -0.732 44.265 45.100 -0.171 0.000 0.855 330 G HN 0.462 nan 8.290 nan 0.000 0.537 331 T N 0.358 114.896 114.554 -0.027 0.000 2.834 331 T HA 0.456 4.806 4.350 0.001 0.000 0.298 331 T C 0.476 175.167 174.700 -0.016 0.000 0.966 331 T CA 0.218 62.319 62.100 0.003 0.000 1.141 331 T CB 1.066 69.956 68.868 0.036 0.000 0.905 331 T HN 1.100 nan 8.240 nan 0.000 0.535 332 V N 6.015 125.924 119.914 -0.008 0.000 2.326 332 V HA 0.294 4.415 4.120 0.001 0.000 0.281 332 V C 0.190 176.307 176.094 0.038 0.000 1.015 332 V CA -0.706 61.595 62.300 0.001 0.000 0.823 332 V CB 1.109 32.926 31.823 -0.010 0.000 1.009 332 V HN 0.908 nan 8.190 nan 0.000 0.436 333 M N 4.634 124.275 119.600 0.068 0.000 2.725 333 M HA 0.365 4.845 4.480 0.001 0.000 0.322 333 M C 1.007 177.381 176.300 0.123 0.000 1.393 333 M CA 0.138 55.498 55.300 0.100 0.000 1.452 333 M CB 0.254 32.932 32.600 0.131 0.000 1.242 333 M HN 0.735 nan 8.290 nan 0.000 0.487 334 G N 1.118 109.979 108.800 0.102 0.000 2.531 334 G HA2 0.480 4.440 3.960 0.001 0.000 0.253 334 G HA3 0.480 4.440 3.960 0.001 0.000 0.253 334 G C 0.936 175.914 174.900 0.129 0.000 1.439 334 G CA 0.003 45.168 45.100 0.108 0.000 1.056 334 G HN 0.683 nan 8.290 nan 0.000 0.555 335 A N -1.106 121.793 122.820 0.133 0.000 1.997 335 A HA -0.079 4.242 4.320 0.001 0.000 0.221 335 A C 2.581 180.244 177.584 0.132 0.000 1.172 335 A CA 2.860 54.990 52.037 0.155 0.000 0.645 335 A CB -0.934 18.193 19.000 0.211 0.000 0.813 335 A HN 1.392 nan 8.150 nan 0.000 0.454 336 V N -0.970 119.013 119.914 0.114 0.000 2.407 336 V HA -0.177 3.943 4.120 0.001 0.000 0.248 336 V C 2.018 178.179 176.094 0.112 0.000 1.055 336 V CA 2.113 64.474 62.300 0.102 0.000 1.049 336 V CB -0.515 31.364 31.823 0.093 0.000 0.662 336 V HN 0.456 nan 8.190 nan 0.000 0.455 337 I N -0.206 120.456 120.570 0.153 0.000 2.277 337 I HA -0.090 4.081 4.170 0.001 0.000 0.243 337 I C 2.714 179.020 176.117 0.315 0.000 1.094 337 I CA 2.013 63.464 61.300 0.251 0.000 1.393 337 I CB -0.897 37.252 38.000 0.248 0.000 1.078 337 I HN 0.335 nan 8.210 nan 0.000 0.417 338 M N 0.187 119.936 119.600 0.247 0.000 2.202 338 M HA -0.206 4.275 4.480 0.001 0.000 0.262 338 M C 1.654 178.014 176.300 0.100 0.000 1.063 338 M CA 1.582 57.012 55.300 0.216 0.000 1.097 338 M CB -0.483 32.204 32.600 0.146 0.000 1.382 338 M HN 0.184 nan 8.290 nan 0.000 0.413 339 E N -0.291 119.934 120.200 0.041 0.000 2.516 339 E HA -0.042 4.308 4.350 0.001 0.000 0.199 339 E C 1.690 178.227 176.600 -0.104 0.000 1.069 339 E CA 0.361 56.758 56.400 -0.006 0.000 0.876 339 E CB -0.031 29.696 29.700 0.045 0.000 0.843 339 E HN 0.591 nan 8.360 nan 0.000 0.530 340 G N -0.213 108.379 108.800 -0.346 0.000 2.939 340 G HA2 0.151 4.112 3.960 0.001 0.000 0.216 340 G HA3 0.151 4.112 3.960 0.001 0.000 0.216 340 G C 0.080 174.397 174.900 -0.972 0.000 1.125 340 G CA -0.243 44.418 45.100 -0.732 0.000 0.766 340 G HN -0.007 nan 8.290 nan 0.000 0.541 341 F N -1.304 118.688 119.950 0.070 0.000 2.593 341 F HA 0.518 5.045 4.527 0.000 0.000 0.320 341 F C -0.911 174.945 175.800 0.093 0.000 1.060 341 F CA -1.724 56.329 58.000 0.088 0.000 0.940 341 F CB 1.653 40.756 39.000 0.171 0.000 1.268 341 F HN -0.093 nan 8.300 nan 0.000 0.475 342 Y N 2.493 122.867 120.300 0.124 0.000 2.367 342 Y HA 0.635 5.185 4.550 0.001 0.000 0.342 342 Y C -1.037 174.744 175.900 -0.199 0.000 0.979 342 Y CA -1.556 56.535 58.100 -0.015 0.000 1.161 342 Y CB 0.669 39.152 38.460 0.037 0.000 1.155 342 Y HN 0.312 nan 8.280 nan 0.000 0.503 343 V N 7.315 126.924 119.914 -0.508 0.000 2.417 343 V HA 0.379 4.500 4.120 0.001 0.000 0.291 343 V C -0.549 174.900 176.094 -1.074 0.000 1.024 343 V CA -1.044 60.703 62.300 -0.922 0.000 0.861 343 V CB 1.358 32.636 31.823 -0.908 0.000 0.985 343 V HN 0.532 nan 8.190 nan 0.000 0.436 344 V N 5.540 124.784 119.914 -1.116 0.000 2.333 344 V HA 0.385 4.505 4.120 0.001 0.000 0.274 344 V C -0.360 175.208 176.094 -0.877 0.000 1.028 344 V CA -0.261 61.537 62.300 -0.836 0.000 0.851 344 V CB 0.889 32.380 31.823 -0.554 0.000 1.000 344 V HN 0.727 nan 8.190 nan 0.000 0.456 345 F N 2.735 122.209 119.950 -0.793 0.000 2.541 345 F HA 0.248 4.775 4.527 0.000 0.000 0.351 345 F C 0.988 176.486 175.800 -0.504 0.000 1.209 345 F CA -0.532 56.960 58.000 -0.847 0.000 1.277 345 F CB 0.131 38.126 39.000 -1.674 0.000 1.632 345 F HN 0.432 nan 8.300 nan 0.000 0.619 346 D N 2.317 122.640 120.400 -0.129 0.000 2.541 346 D HA 0.025 4.665 4.640 0.001 0.000 0.231 346 D C 1.435 177.783 176.300 0.081 0.000 1.163 346 D CA 0.188 54.177 54.000 -0.018 0.000 1.077 346 D CB 0.189 40.973 40.800 -0.026 0.000 1.110 346 D HN 0.429 nan 8.370 nan 0.000 0.499 347 R N 1.480 122.061 120.500 0.135 0.000 2.152 347 R HA -0.084 4.257 4.340 0.001 0.000 0.232 347 R C 2.026 178.439 176.300 0.189 0.000 1.117 347 R CA 1.267 57.518 56.100 0.252 0.000 0.981 347 R CB 0.025 30.501 30.300 0.294 0.000 0.870 347 R HN 0.316 nan 8.270 nan 0.000 0.451 348 A N 1.009 123.908 122.820 0.132 0.000 1.968 348 A HA -0.069 4.251 4.320 0.001 0.000 0.217 348 A C 1.690 179.304 177.584 0.051 0.000 1.169 348 A CA 0.957 53.050 52.037 0.095 0.000 0.638 348 A CB -0.011 19.037 19.000 0.080 0.000 0.812 348 A HN 0.167 nan 8.150 nan 0.000 0.446 349 R N -1.121 119.392 120.500 0.022 0.000 2.507 349 R HA 0.208 4.548 4.340 0.001 0.000 0.298 349 R C -0.359 175.945 176.300 0.007 0.000 0.999 349 R CA -0.218 55.870 56.100 -0.020 0.000 1.082 349 R CB 0.094 30.331 30.300 -0.106 0.000 1.246 349 R HN 0.331 nan 8.270 nan 0.000 0.553 350 K N 2.128 122.568 120.400 0.066 0.000 3.311 350 K HA -0.236 4.084 4.320 0.001 0.000 0.270 350 K C -0.622 176.047 176.600 0.115 0.000 0.927 350 K CA 1.016 57.365 56.287 0.103 0.000 0.706 350 K CB -0.739 31.799 32.500 0.062 0.000 1.418 350 K HN 0.459 nan 8.250 nan 0.000 0.459 351 R N -0.618 119.955 120.500 0.122 0.000 2.752 351 R HA 0.534 4.875 4.340 0.001 0.000 0.271 351 R C -1.111 175.283 176.300 0.156 0.000 1.026 351 R CA -1.089 55.100 56.100 0.149 0.000 0.901 351 R CB 1.225 31.581 30.300 0.095 0.000 1.243 351 R HN 0.010 nan 8.270 nan 0.000 0.463 352 I N 1.205 121.880 120.570 0.176 0.000 2.418 352 I HA 0.397 4.568 4.170 0.001 0.000 0.287 352 I C 0.172 176.229 176.117 -0.100 0.000 1.008 352 I CA -0.593 60.666 61.300 -0.069 0.000 1.104 352 I CB 1.656 39.573 38.000 -0.139 0.000 1.264 352 I HN 0.874 nan 8.210 nan 0.000 0.438 353 G N 5.479 113.987 108.800 -0.487 0.000 2.389 353 G HA2 0.692 4.653 3.960 0.001 0.000 0.317 353 G HA3 0.692 4.653 3.960 0.001 0.000 0.317 353 G C -1.402 172.960 174.900 -0.897 0.000 1.137 353 G CA -0.203 44.340 45.100 -0.929 0.000 0.870 353 G HN 0.349 nan 8.290 nan 0.000 0.496 354 F N 0.412 120.009 119.950 -0.587 0.000 2.556 354 F HA 0.704 5.232 4.527 0.001 0.000 0.314 354 F C 0.321 175.905 175.800 -0.359 0.000 1.106 354 F CA -0.524 57.226 58.000 -0.416 0.000 0.911 354 F CB 2.780 41.563 39.000 -0.362 0.000 1.190 354 F HN 0.731 nan 8.300 nan 0.000 0.448 355 A N 1.681 124.471 122.820 -0.049 0.000 2.572 355 A HA 0.744 5.064 4.320 0.001 0.000 0.295 355 A C -1.367 176.388 177.584 0.285 0.000 1.072 355 A CA -0.852 51.177 52.037 -0.014 0.000 0.691 355 A CB 1.179 19.864 19.000 -0.525 0.000 1.291 355 A HN 0.465 nan 8.150 nan 0.000 0.404 356 V N 1.741 121.829 119.914 0.290 0.000 2.557 356 V HA 0.159 4.279 4.120 0.001 0.000 0.301 356 V C 1.205 177.427 176.094 0.214 0.000 1.026 356 V CA 0.573 63.001 62.300 0.213 0.000 1.137 356 V CB 1.057 32.931 31.823 0.085 0.000 0.917 356 V HN 0.910 nan 8.190 nan 0.000 0.484 357 S N 4.271 120.040 115.700 0.115 0.000 2.505 357 S HA 0.378 4.848 4.470 0.001 0.000 0.276 357 S C 1.307 176.036 174.600 0.214 0.000 1.274 357 S CA -0.191 58.112 58.200 0.171 0.000 1.053 357 S CB 1.160 64.425 63.200 0.109 0.000 0.919 357 S HN 0.993 nan 8.310 nan 0.000 0.490 358 A N 3.658 126.544 122.820 0.111 0.000 2.125 358 A HA -0.077 4.243 4.320 0.001 0.000 0.219 358 A C 2.018 179.624 177.584 0.037 0.000 1.156 358 A CA 1.499 53.568 52.037 0.053 0.000 0.671 358 A CB -1.114 17.860 19.000 -0.043 0.000 0.794 358 A HN 1.231 nan 8.150 nan 0.000 0.459 359 c N -1.317 117.309 118.600 0.043 0.000 3.038 359 c HA 0.293 4.863 4.570 0.001 0.000 0.279 359 c C 1.111 175.203 174.090 0.002 0.000 1.276 359 c CA -0.087 56.243 56.329 0.001 0.000 1.697 359 c CB -1.654 40.847 42.510 -0.015 0.000 2.032 359 c HN 0.712 nan 8.230 nan 0.000 0.636 360 H N 1.509 120.567 119.070 -0.021 0.000 3.038 360 H HA 0.275 4.832 4.556 0.001 0.000 0.338 360 H C -0.619 174.728 175.328 0.031 0.000 1.041 360 H CA 0.591 56.613 56.048 -0.042 0.000 1.394 360 H CB 0.457 30.143 29.762 -0.128 0.000 1.357 360 H HN 0.223 nan 8.280 nan 0.000 0.600 361 V N 5.993 125.834 119.914 -0.123 0.000 2.530 361 V HA 0.222 4.342 4.120 0.001 0.000 0.282 361 V C 0.348 176.305 176.094 -0.229 0.000 1.048 361 V CA 0.351 62.511 62.300 -0.233 0.000 0.997 361 V CB 0.106 31.813 31.823 -0.194 0.000 0.987 361 V HN 1.097 nan 8.190 nan 0.000 0.477 362 H N 2.181 121.004 119.070 -0.411 0.000 3.590 362 H HA 0.851 5.408 4.556 0.000 0.000 0.318 362 H C -1.114 174.022 175.328 -0.320 0.000 1.648 362 H CA -0.692 55.151 56.048 -0.341 0.000 1.174 362 H CB 1.043 30.673 29.762 -0.220 0.000 1.702 362 H HN 0.570 nan 8.280 nan 0.000 0.713 363 D N -1.917 118.396 120.400 -0.145 0.000 2.867 363 D HA 0.097 4.738 4.640 0.001 0.000 0.308 363 D C 0.320 176.580 176.300 -0.067 0.000 1.202 363 D CA -0.594 53.302 54.000 -0.174 0.000 1.035 363 D CB 0.339 41.094 40.800 -0.075 0.000 1.427 363 D HN 0.748 nan 8.370 nan 0.000 0.570 364 E N -0.461 119.591 120.200 -0.246 0.000 2.494 364 E HA 0.050 4.401 4.350 0.001 0.000 0.193 364 E C 0.121 176.425 176.600 -0.493 0.000 1.074 364 E CA 0.272 56.438 56.400 -0.390 0.000 0.867 364 E CB -0.394 28.975 29.700 -0.553 0.000 0.924 364 E HN 0.548 nan 8.360 nan 0.000 0.502 365 F N 0.480 120.466 119.950 0.060 0.000 2.577 365 F HA 0.329 4.857 4.527 0.001 0.000 0.276 365 F C 1.210 177.046 175.800 0.060 0.000 1.032 365 F CA -0.442 57.592 58.000 0.057 0.000 1.297 365 F CB 0.518 39.554 39.000 0.060 0.000 1.061 365 F HN -0.176 nan 8.300 nan 0.000 0.680 366 R N -0.795 119.854 120.500 0.247 0.000 2.939 366 R HA 0.735 5.076 4.340 0.001 0.000 0.254 366 R C -1.045 175.329 176.300 0.123 0.000 1.123 366 R CA -0.672 55.523 56.100 0.158 0.000 1.020 366 R CB 1.714 32.099 30.300 0.142 0.000 1.206 366 R HN -0.253 nan 8.270 nan 0.000 0.491 367 T N -0.237 114.360 114.554 0.071 0.000 2.932 367 T HA 0.569 4.919 4.350 0.001 0.000 0.318 367 T C -1.147 173.547 174.700 -0.009 0.000 1.265 367 T CA -0.534 61.590 62.100 0.039 0.000 1.036 367 T CB 1.599 70.415 68.868 -0.086 0.000 1.209 367 T HN 0.694 nan 8.240 nan 0.000 0.484 368 A N 1.854 124.573 122.820 -0.168 0.000 2.406 368 A HA 0.791 5.112 4.320 0.001 0.000 0.243 368 A C 0.337 177.826 177.584 -0.159 0.000 1.082 368 A CA 0.189 52.056 52.037 -0.284 0.000 0.786 368 A CB -0.079 18.518 19.000 -0.671 0.000 1.029 368 A HN 1.239 nan 8.150 nan 0.000 0.495 369 A N -0.038 122.799 122.820 0.028 0.000 2.566 369 A HA 0.701 5.021 4.320 0.001 0.000 0.292 369 A C -1.251 176.410 177.584 0.127 0.000 1.112 369 A CA -0.449 51.630 52.037 0.070 0.000 0.707 369 A CB 1.587 20.606 19.000 0.031 0.000 1.302 369 A HN 1.421 nan 8.150 nan 0.000 0.409 370 V N 1.566 121.526 119.914 0.078 0.000 2.532 370 V HA 0.461 4.582 4.120 0.001 0.000 0.294 370 V C -0.769 175.286 176.094 -0.066 0.000 1.036 370 V CA -0.262 62.043 62.300 0.008 0.000 0.876 370 V CB 1.258 33.127 31.823 0.076 0.000 1.012 370 V HN 0.978 nan 8.190 nan 0.000 0.432 371 E N 2.363 122.448 120.200 -0.191 0.000 2.343 371 E HA 0.897 5.247 4.350 0.001 0.000 0.270 371 E C -0.028 176.206 176.600 -0.609 0.000 0.895 371 E CA -0.726 55.508 56.400 -0.275 0.000 0.767 371 E CB 2.910 32.598 29.700 -0.021 0.000 1.248 371 E HN 0.859 nan 8.360 nan 0.000 0.440 372 G N 1.172 109.418 108.800 -0.923 0.000 2.451 372 G HA2 0.490 4.451 3.960 0.001 0.000 0.292 372 G HA3 0.490 4.451 3.960 0.001 0.000 0.292 372 G C -2.977 171.496 174.900 -0.711 0.000 1.427 372 G CA -0.787 43.550 45.100 -1.272 0.000 0.792 372 G HN 0.375 nan 8.290 nan 0.000 0.498 373 P HA 0.816 nan 4.420 nan 0.000 0.288 373 P C -1.515 175.370 177.300 -0.692 0.000 1.297 373 P CA -0.734 62.072 63.100 -0.490 0.000 0.864 373 P CB 1.648 33.352 31.700 0.008 0.000 1.237 374 F N -1.547 118.411 119.950 0.013 0.000 2.577 374 F HA 0.357 4.884 4.527 0.001 0.000 0.318 374 F C 0.055 175.882 175.800 0.046 0.000 1.065 374 F CA -1.136 56.890 58.000 0.043 0.000 0.929 374 F CB 1.831 40.887 39.000 0.093 0.000 1.237 374 F HN -0.111 nan 8.300 nan 0.000 0.468 375 V N 1.741 121.776 119.914 0.203 0.000 2.408 375 V HA 0.382 4.503 4.120 0.001 0.000 0.267 375 V C -0.267 175.885 176.094 0.095 0.000 1.047 375 V CA -0.054 62.318 62.300 0.120 0.000 0.937 375 V CB 0.598 32.469 31.823 0.081 0.000 0.999 375 V HN 0.796 nan 8.190 nan 0.000 0.472 376 T N 6.676 121.277 114.554 0.079 0.000 2.879 376 T HA 0.603 4.953 4.350 0.001 0.000 0.290 376 T C -0.409 174.312 174.700 0.034 0.000 0.993 376 T CA -0.419 61.704 62.100 0.038 0.000 0.975 376 T CB 1.159 70.046 68.868 0.031 0.000 0.981 376 T HN 0.353 nan 8.240 nan 0.000 0.439 377 L N 2.598 123.830 121.223 0.015 0.000 2.360 377 L HA 0.469 4.809 4.340 0.001 0.000 0.271 377 L C 0.312 177.189 176.870 0.012 0.000 1.057 377 L CA -0.840 54.009 54.840 0.016 0.000 0.803 377 L CB 0.513 42.578 42.059 0.010 0.000 1.207 377 L HN 0.718 nan 8.230 nan 0.000 0.445 378 D N 1.363 121.772 120.400 0.016 0.000 2.811 378 D HA -0.238 4.403 4.640 0.001 0.000 0.231 378 D C 1.094 177.406 176.300 0.019 0.000 1.157 378 D CA 0.786 54.794 54.000 0.014 0.000 0.716 378 D CB -0.753 40.049 40.800 0.003 0.000 1.077 378 D HN 0.667 nan 8.370 nan 0.000 0.428 379 M N -0.543 119.075 119.600 0.030 0.000 2.435 379 M HA -0.143 4.338 4.480 0.001 0.000 0.262 379 M C 2.017 178.345 176.300 0.046 0.000 1.065 379 M CA 1.110 56.434 55.300 0.039 0.000 1.076 379 M CB -0.121 32.510 32.600 0.051 0.000 1.403 379 M HN -0.085 nan 8.290 nan 0.000 0.454 380 E N 0.926 121.150 120.200 0.040 0.000 2.208 380 E HA -0.134 4.217 4.350 0.001 0.000 0.193 380 E C 1.162 177.784 176.600 0.036 0.000 0.988 380 E CA 1.024 57.449 56.400 0.041 0.000 0.828 380 E CB -0.124 29.596 29.700 0.033 0.000 0.763 380 E HN 0.428 nan 8.360 nan 0.000 0.478 381 D N -0.826 119.589 120.400 0.025 0.000 2.348 381 D HA -0.072 4.569 4.640 0.001 0.000 0.216 381 D C 1.529 177.846 176.300 0.028 0.000 0.970 381 D CA 0.286 54.296 54.000 0.016 0.000 0.889 381 D CB -0.222 40.579 40.800 0.002 0.000 0.912 381 D HN 0.204 nan 8.370 nan 0.000 0.524 382 c N 0.707 119.332 118.600 0.041 0.000 2.456 382 c HA 0.165 4.735 4.570 0.001 0.000 0.279 382 c C 1.643 175.793 174.090 0.100 0.000 1.427 382 c CA -0.184 56.179 56.329 0.057 0.000 1.778 382 c CB -1.123 41.429 42.510 0.070 0.000 1.842 382 c HN 0.211 nan 8.230 nan 0.000 0.531 383 G N -1.187 107.674 108.800 0.103 0.000 2.467 383 G HA2 0.406 4.367 3.960 0.001 0.000 0.257 383 G HA3 0.406 4.367 3.960 0.001 0.000 0.257 383 G C -1.007 173.997 174.900 0.174 0.000 1.227 383 G CA -0.035 45.151 45.100 0.143 0.000 0.835 383 G HN 0.469 nan 8.290 nan 0.000 0.556 384 Y N 1.793 122.149 120.300 0.094 0.000 2.387 384 Y HA 0.515 5.066 4.550 0.001 0.000 0.330 384 Y C -0.189 175.761 175.900 0.084 0.000 1.133 384 Y CA -1.107 57.053 58.100 0.101 0.000 1.152 384 Y CB 1.463 40.024 38.460 0.169 0.000 1.215 384 Y HN 0.485 nan 8.280 nan 0.000 0.466 385 N N 5.765 124.042 118.700 -0.705 0.000 2.249 385 N HA 0.245 4.986 4.740 0.001 0.000 0.296 385 N C -1.406 173.658 175.510 -0.743 0.000 1.051 385 N CA -0.612 52.137 53.050 -0.502 0.000 0.815 385 N CB 2.161 40.495 38.487 -0.254 0.000 1.487 385 N HN 0.466 nan 8.380 nan 0.000 0.475 386 I N 2.183 122.562 120.570 -0.318 0.000 2.932 386 I HA 0.006 4.176 4.170 0.001 0.000 0.295 386 I C -0.627 175.405 176.117 -0.142 0.000 1.227 386 I CA -1.391 59.830 61.300 -0.132 0.000 1.429 386 I CB -0.502 37.505 38.000 0.012 0.000 1.339 386 I HN 0.478 nan 8.210 nan 0.000 0.589 387 P HA 0.015 nan 4.420 nan 0.000 0.223 387 P C 0.093 177.374 177.300 -0.032 0.000 1.151 387 P CA 1.158 64.233 63.100 -0.042 0.000 0.787 387 P CB 0.212 31.920 31.700 0.013 0.000 0.788 388 Q N 0.000 119.787 119.800 -0.022 0.000 2.315 388 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 388 Q CA 0.000 nan 55.803 nan 0.000 1.022 388 Q CB 0.000 nan 28.738 nan 0.000 1.108 388 Q HN 0.000 nan 8.270 nan 0.000 0.481