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 2q11_1_C DATA FIRST_RESID -2 DATA SEQUENCE SFVEMVDNLR GKSGQGYYVE MTVGSPPQTL NILVDTGSSN FAVGAAPHPF DATA SEQUENCE LHRYYQRQLS STYRDLRKGV YVPYTQGKWE GELGTDLVSI PHGPQVTVRA DATA SEQUENCE NIAAITESDK FFIQGSNWEG ILGLAYAEIA RPDDSLEPFF DSLVKQTHVP DATA SEQUENCE NLFSLQLcGA GFPLQQSEVL ASVGGSMIIG GIDHSLYTGS LWYTPIRREW DATA SEQUENCE YYEVIIVRVE INGQDLKMDc KEYNYDKSIV DSGTTNLRLP KKVFEAAVKS DATA SEQUENCE IKAASSTEKF PDGFWLGEQL VcWQAGTTPW NIFPVISLYL MGEVTQQSFR DATA SEQUENCE ITILPQQYLR PVEDVATSQD DcYKFAISQS STGTVMGAVI MEGFYVVFDR DATA SEQUENCE ARKRIGFAVS AcHVHDEFRT AAVEGPFVTL DMEDcGYN 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 -2 S HA 0.000 nan 4.470 nan 0.000 0.327 -2 S C 0.000 174.307 174.600 -0.488 0.000 1.055 -2 S CA 0.000 58.040 58.200 -0.267 0.000 1.107 -2 S CB 0.000 63.146 63.200 -0.090 0.000 0.593 -1 F N 3.226 123.209 119.950 0.055 0.000 2.679 -1 F HA 0.309 4.836 4.527 -0.000 0.000 0.354 -1 F C 1.275 177.105 175.800 0.049 0.000 1.423 -1 F CA -0.011 58.026 58.000 0.062 0.000 1.141 -1 F CB 1.157 40.209 39.000 0.087 0.000 1.168 -1 F HN 0.244 nan 8.300 nan 0.000 0.530 0 V N -1.554 118.434 119.914 0.123 0.000 2.313 0 V HA -0.334 3.786 4.120 -0.000 0.000 0.253 0 V C 1.821 177.975 176.094 0.100 0.000 1.070 0 V CA 2.672 65.024 62.300 0.087 0.000 1.057 0 V CB -0.594 31.253 31.823 0.041 0.000 0.653 0 V HN 0.554 nan 8.190 nan 0.000 0.450 1 E N 0.711 120.989 120.200 0.130 0.000 2.153 1 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 1 E C 2.062 178.749 176.600 0.144 0.000 0.988 1 E CA 2.004 58.486 56.400 0.136 0.000 0.811 1 E CB -0.503 29.287 29.700 0.150 0.000 0.746 1 E HN 0.639 nan 8.360 nan 0.000 0.466 2 M N 0.551 120.246 119.600 0.159 0.000 2.516 2 M HA 0.107 4.587 4.480 -0.000 0.000 0.259 2 M C 0.201 176.555 176.300 0.090 0.000 1.146 2 M CA -0.077 55.301 55.300 0.130 0.000 1.122 2 M CB 0.742 33.416 32.600 0.123 0.000 1.341 2 M HN -0.117 nan 8.290 nan 0.000 0.478 3 V N 2.699 122.671 119.914 0.095 0.000 2.720 3 V HA -0.168 3.952 4.120 -0.000 0.000 0.307 3 V C 0.624 176.727 176.094 0.014 0.000 1.071 3 V CA 1.231 63.568 62.300 0.060 0.000 1.199 3 V CB 0.169 32.025 31.823 0.056 0.000 0.900 3 V HN 0.631 nan 8.190 nan 0.000 0.494 4 D N 2.698 123.102 120.400 0.006 0.000 3.041 4 D HA -0.186 4.454 4.640 -0.000 0.000 0.220 4 D C 0.898 177.174 176.300 -0.040 0.000 1.157 4 D CA 1.111 55.100 54.000 -0.018 0.000 0.876 4 D CB -0.887 39.895 40.800 -0.030 0.000 1.107 4 D HN 0.897 nan 8.370 nan 0.000 0.422 5 N N 0.285 118.975 118.700 -0.017 0.000 2.434 5 N HA 0.018 4.758 4.740 -0.000 0.000 0.196 5 N C 0.136 175.651 175.510 0.008 0.000 1.183 5 N CA 0.255 53.302 53.050 -0.004 0.000 0.849 5 N CB -0.042 38.485 38.487 0.066 0.000 0.992 5 N HN 0.406 nan 8.380 nan 0.000 0.460 6 L N 0.167 121.380 121.223 -0.018 0.000 2.346 6 L HA 0.555 4.895 4.340 -0.000 0.000 0.276 6 L C 0.191 177.003 176.870 -0.098 0.000 1.006 6 L CA -0.727 54.088 54.840 -0.042 0.000 0.817 6 L CB 1.912 43.970 42.059 -0.002 0.000 1.272 6 L HN -0.020 nan 8.230 nan 0.000 0.421 7 R N 0.717 121.012 120.500 -0.341 0.000 2.855 7 R HA 0.838 5.178 4.340 -0.000 0.000 0.266 7 R C -0.097 175.669 176.300 -0.891 0.000 1.034 7 R CA -0.248 55.571 56.100 -0.468 0.000 0.944 7 R CB 2.341 32.413 30.300 -0.380 0.000 1.219 7 R HN 0.823 nan 8.270 nan 0.000 0.474 8 G N 0.517 108.988 108.800 -0.549 0.000 1.954 8 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.169 8 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.169 8 G C -1.131 173.621 174.900 -0.246 0.000 1.013 8 G CA 0.041 44.953 45.100 -0.313 0.000 1.258 8 G HN 0.552 nan 8.290 nan 0.000 0.442 9 K N -1.348 118.791 120.400 -0.434 0.000 2.931 9 K HA 0.494 4.814 4.320 -0.000 0.000 0.292 9 K C 0.774 177.006 176.600 -0.614 0.000 1.077 9 K CA 0.178 56.196 56.287 -0.449 0.000 0.829 9 K CB 0.583 32.965 32.500 -0.196 0.000 1.488 9 K HN 0.422 nan 8.250 nan 0.000 0.358 10 S N -0.605 114.864 115.700 -0.386 0.000 2.404 10 S HA 0.013 4.483 4.470 -0.000 0.000 0.223 10 S C 1.522 176.076 174.600 -0.076 0.000 1.040 10 S CA 0.935 59.019 58.200 -0.193 0.000 0.957 10 S CB 0.088 63.263 63.200 -0.041 0.000 0.826 10 S HN 0.746 nan 8.310 nan 0.000 0.491 11 G N 0.740 109.499 108.800 -0.068 0.000 2.484 11 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.218 11 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.218 11 G C 1.098 176.001 174.900 0.005 0.000 1.130 11 G CA 0.260 45.347 45.100 -0.022 0.000 0.784 11 G HN 0.467 nan 8.290 nan 0.000 0.543 12 Q N -0.599 119.205 119.800 0.008 0.000 2.149 12 Q HA 0.373 4.713 4.340 -0.000 0.000 0.221 12 Q C 0.578 176.711 176.000 0.222 0.000 0.807 12 Q CA 0.121 55.989 55.803 0.109 0.000 1.000 12 Q CB 1.690 30.474 28.738 0.078 0.000 1.157 12 Q HN 0.419 nan 8.270 nan 0.000 0.487 13 G N 1.002 109.834 108.800 0.053 0.000 2.719 13 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.686 13 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.686 13 G C -1.156 173.733 174.900 -0.019 0.000 1.201 13 G CA -0.936 44.174 45.100 0.017 0.000 0.768 13 G HN 0.153 nan 8.290 nan 0.000 0.629 14 Y N 0.658 120.932 120.300 -0.043 0.000 2.304 14 Y HA 0.609 5.159 4.550 -0.000 0.000 0.328 14 Y C 0.914 176.775 175.900 -0.065 0.000 1.123 14 Y CA 0.338 58.379 58.100 -0.098 0.000 1.218 14 Y CB 1.242 39.638 38.460 -0.107 0.000 1.207 14 Y HN 0.789 nan 8.280 nan 0.000 0.495 15 Y N 0.163 120.528 120.300 0.108 0.000 2.576 15 Y HA 0.789 5.339 4.550 -0.000 0.000 0.346 15 Y C -1.671 174.256 175.900 0.045 0.000 1.018 15 Y CA -1.882 56.235 58.100 0.029 0.000 1.050 15 Y CB 0.789 39.289 38.460 0.067 0.000 1.280 15 Y HN 0.411 nan 8.280 nan 0.000 0.474 16 V N 1.802 121.864 119.914 0.247 0.000 2.769 16 V HA 0.419 4.539 4.120 -0.000 0.000 0.312 16 V C -0.715 175.494 176.094 0.191 0.000 1.061 16 V CA -0.822 61.575 62.300 0.162 0.000 0.931 16 V CB 1.736 33.580 31.823 0.034 0.000 1.010 16 V HN 0.989 nan 8.190 nan 0.000 0.433 17 E N 5.425 125.737 120.200 0.187 0.000 2.316 17 E HA 0.485 4.835 4.350 -0.000 0.000 0.275 17 E C -0.761 175.863 176.600 0.040 0.000 1.029 17 E CA -0.205 56.273 56.400 0.129 0.000 0.871 17 E CB 0.878 30.666 29.700 0.147 0.000 1.022 17 E HN 0.700 nan 8.360 nan 0.000 0.418 18 M N 1.857 121.464 119.600 0.011 0.000 2.704 18 M HA 0.400 4.880 4.480 -0.000 0.000 0.284 18 M C -0.764 175.530 176.300 -0.009 0.000 1.275 18 M CA -0.897 54.391 55.300 -0.020 0.000 0.811 18 M CB 2.550 35.117 32.600 -0.055 0.000 1.741 18 M HN 0.580 nan 8.290 nan 0.000 0.458 19 T N -0.579 113.970 114.554 -0.008 0.000 2.916 19 T HA 0.832 5.182 4.350 -0.000 0.000 0.305 19 T C -0.905 173.789 174.700 -0.011 0.000 1.119 19 T CA -0.809 61.286 62.100 -0.009 0.000 1.008 19 T CB 1.628 70.493 68.868 -0.005 0.000 1.129 19 T HN 0.760 nan 8.240 nan 0.000 0.480 20 V N -1.568 118.320 119.914 -0.043 0.000 3.007 20 V HA 1.013 5.133 4.120 -0.000 0.000 0.311 20 V C 0.485 176.579 176.094 -0.000 0.000 1.120 20 V CA -0.050 62.196 62.300 -0.090 0.000 0.980 20 V CB 0.777 32.376 31.823 -0.373 0.000 1.033 20 V HN 2.215 nan 8.190 nan 0.000 0.429 21 G N 2.109 110.949 108.800 0.066 0.000 2.814 21 G HA2 0.112 4.072 3.960 -0.000 0.000 0.677 21 G HA3 0.112 4.072 3.960 -0.000 0.000 0.677 21 G C -0.381 174.586 174.900 0.112 0.000 1.429 21 G CA -0.217 44.982 45.100 0.165 0.000 0.868 21 G HN 1.788 nan 8.290 nan 0.000 0.553 22 S N 2.711 118.480 115.700 0.115 0.000 2.659 22 S HA 0.704 5.174 4.470 -0.000 0.000 0.312 22 S C -2.032 172.610 174.600 0.071 0.000 1.114 22 S CA -0.595 57.652 58.200 0.079 0.000 1.063 22 S CB 2.712 65.956 63.200 0.072 0.000 0.996 22 S HN 0.798 nan 8.310 nan 0.000 0.478 23 P HA 0.264 nan 4.420 nan 0.000 0.272 23 P C -2.907 174.423 177.300 0.050 0.000 1.240 23 P CA -1.644 61.482 63.100 0.044 0.000 0.791 23 P CB -0.763 30.955 31.700 0.031 0.000 0.978 24 P HA 0.105 nan 4.420 nan 0.000 0.263 24 P C -0.475 176.843 177.300 0.030 0.000 1.195 24 P CA 0.715 63.835 63.100 0.034 0.000 0.762 24 P CB 0.107 31.819 31.700 0.020 0.000 0.799 25 Q N 1.768 121.589 119.800 0.036 0.000 2.347 25 Q HA 0.273 4.613 4.340 -0.000 0.000 0.262 25 Q C -0.262 175.743 176.000 0.007 0.000 0.980 25 Q CA -0.428 55.395 55.803 0.033 0.000 0.867 25 Q CB 1.033 29.824 28.738 0.088 0.000 1.242 25 Q HN 0.364 nan 8.270 nan 0.000 0.453 26 T N 3.607 118.160 114.554 -0.002 0.000 2.901 26 T HA 0.442 4.792 4.350 -0.000 0.000 0.301 26 T C -0.197 174.496 174.700 -0.011 0.000 1.012 26 T CA 0.052 62.147 62.100 -0.009 0.000 1.135 26 T CB 0.261 69.123 68.868 -0.011 0.000 0.936 26 T HN 0.362 nan 8.240 nan 0.000 0.539 27 L N 3.014 124.234 121.223 -0.006 0.000 2.545 27 L HA 0.382 4.722 4.340 -0.000 0.000 0.258 27 L C -0.286 176.584 176.870 0.000 0.000 0.942 27 L CA -0.891 53.946 54.840 -0.006 0.000 0.855 27 L CB 2.276 44.337 42.059 0.005 0.000 1.374 27 L HN 0.578 nan 8.230 nan 0.000 0.411 28 N N 2.989 121.666 118.700 -0.038 0.000 2.422 28 N HA 0.453 5.193 4.740 -0.000 0.000 0.264 28 N C -1.059 174.464 175.510 0.021 0.000 1.063 28 N CA -0.519 52.482 53.050 -0.083 0.000 0.959 28 N CB 1.079 39.305 38.487 -0.435 0.000 1.087 28 N HN 0.221 nan 8.380 nan 0.000 0.483 29 I N 3.096 123.705 120.570 0.066 0.000 2.404 29 I HA 0.247 4.417 4.170 -0.000 0.000 0.293 29 I C 0.111 176.216 176.117 -0.019 0.000 0.992 29 I CA -0.755 60.565 61.300 0.034 0.000 1.149 29 I CB 1.515 39.499 38.000 -0.028 0.000 1.315 29 I HN 0.446 nan 8.210 nan 0.000 0.446 30 L N 6.868 127.956 121.223 -0.226 0.000 2.367 30 L HA 0.326 4.666 4.340 -0.000 0.000 0.275 30 L C -0.362 176.341 176.870 -0.279 0.000 1.129 30 L CA -0.317 54.298 54.840 -0.375 0.000 0.839 30 L CB 1.061 42.488 42.059 -1.053 0.000 1.133 30 L HN 0.310 nan 8.230 nan 0.000 0.453 31 V N 4.708 124.515 119.914 -0.178 0.000 2.387 31 V HA 0.136 4.256 4.120 -0.000 0.000 0.260 31 V C -0.283 175.701 176.094 -0.184 0.000 1.054 31 V CA -0.024 62.163 62.300 -0.189 0.000 0.967 31 V CB 0.673 32.409 31.823 -0.145 0.000 1.036 31 V HN 0.723 nan 8.190 nan 0.000 0.481 32 D N 3.440 123.715 120.400 -0.208 0.000 2.420 32 D HA 0.198 4.838 4.640 -0.000 0.000 0.255 32 D C 1.134 177.358 176.300 -0.126 0.000 1.185 32 D CA -0.224 53.684 54.000 -0.154 0.000 0.904 32 D CB 1.602 42.306 40.800 -0.159 0.000 1.102 32 D HN 0.563 nan 8.370 nan 0.000 0.534 33 T N -0.124 114.370 114.554 -0.101 0.000 3.215 33 T HA 0.131 4.481 4.350 -0.000 0.000 0.254 33 T C 1.487 176.272 174.700 0.140 0.000 1.149 33 T CA 0.323 62.408 62.100 -0.025 0.000 1.042 33 T CB 0.115 68.864 68.868 -0.198 0.000 0.966 33 T HN 0.290 nan 8.240 nan 0.000 0.534 34 G N 0.743 109.584 108.800 0.070 0.000 3.088 34 G HA2 0.421 4.381 3.960 -0.000 0.000 0.217 34 G HA3 0.421 4.381 3.960 -0.000 0.000 0.217 34 G C 0.341 175.268 174.900 0.045 0.000 1.159 34 G CA 0.106 45.276 45.100 0.116 0.000 0.760 34 G HN 0.736 nan 8.290 nan 0.000 0.550 35 S N -1.974 113.714 115.700 -0.020 0.000 2.685 35 S HA 0.660 5.130 4.470 -0.000 0.000 0.282 35 S C 0.042 174.603 174.600 -0.064 0.000 1.159 35 S CA -0.393 57.777 58.200 -0.049 0.000 0.833 35 S CB 1.907 65.102 63.200 -0.008 0.000 1.151 35 S HN -0.119 nan 8.310 nan 0.000 0.485 36 S N -0.035 115.644 115.700 -0.036 0.000 2.733 36 S HA 0.368 4.838 4.470 -0.000 0.000 0.247 36 S C -0.280 174.355 174.600 0.058 0.000 1.043 36 S CA -0.386 57.806 58.200 -0.013 0.000 1.066 36 S CB -0.338 62.849 63.200 -0.022 0.000 1.045 36 S HN 0.689 nan 8.310 nan 0.000 0.586 37 N N 0.866 119.622 118.700 0.095 0.000 2.417 37 N HA 0.422 5.162 4.740 -0.000 0.000 0.300 37 N C -1.382 174.245 175.510 0.195 0.000 1.102 37 N CA -0.471 52.677 53.050 0.163 0.000 0.886 37 N CB 1.189 39.810 38.487 0.223 0.000 1.203 37 N HN 0.226 nan 8.380 nan 0.000 0.496 38 F N 2.140 122.098 119.950 0.013 0.000 2.293 38 F HA 0.613 5.140 4.527 -0.000 0.000 0.370 38 F C -0.650 175.109 175.800 -0.068 0.000 1.090 38 F CA -0.852 57.112 58.000 -0.059 0.000 1.133 38 F CB 0.249 39.210 39.000 -0.066 0.000 1.360 38 F HN 0.424 nan 8.300 nan 0.000 0.489 39 A N 6.282 129.123 122.820 0.035 0.000 2.331 39 A HA 0.696 5.016 4.320 -0.000 0.000 0.320 39 A C -1.227 176.237 177.584 -0.200 0.000 1.138 39 A CA -0.547 51.327 52.037 -0.272 0.000 0.790 39 A CB 1.582 20.147 19.000 -0.725 0.000 1.206 39 A HN 0.749 nan 8.150 nan 0.000 0.470 40 V N 0.597 120.383 119.914 -0.213 0.000 2.962 40 V HA 0.922 5.042 4.120 -0.000 0.000 0.313 40 V C 0.303 176.453 176.094 0.094 0.000 1.099 40 V CA -0.114 62.172 62.300 -0.024 0.000 0.971 40 V CB 1.575 33.313 31.823 -0.142 0.000 1.028 40 V HN 1.524 nan 8.190 nan 0.000 0.430 41 G N 2.190 111.147 108.800 0.262 0.000 2.299 41 G HA2 0.515 4.475 3.960 -0.000 0.000 0.256 41 G HA3 0.515 4.475 3.960 -0.000 0.000 0.256 41 G C 0.526 175.536 174.900 0.182 0.000 1.259 41 G CA 0.154 45.427 45.100 0.288 0.000 0.943 41 G HN 1.883 nan 8.290 nan 0.000 0.479 42 A N 1.748 124.610 122.820 0.069 0.000 2.538 42 A HA 0.786 5.106 4.320 -0.000 0.000 0.269 42 A C 0.861 178.229 177.584 -0.360 0.000 1.231 42 A CA 0.690 52.707 52.037 -0.033 0.000 0.948 42 A CB 0.113 19.090 19.000 -0.037 0.000 1.110 42 A HN 1.786 nan 8.150 nan 0.000 0.529 43 A N 0.323 122.813 122.820 -0.550 0.000 2.612 43 A HA 0.724 5.044 4.320 -0.000 0.000 0.293 43 A C -3.227 173.903 177.584 -0.757 0.000 1.075 43 A CA -1.424 50.111 52.037 -0.838 0.000 0.680 43 A CB 0.789 19.587 19.000 -0.335 0.000 1.279 43 A HN 0.025 nan 8.150 nan 0.000 0.411 44 P HA 0.165 nan 4.420 nan 0.000 0.265 44 P C -0.963 176.376 177.300 0.064 0.000 1.187 44 P CA 0.784 63.868 63.100 -0.027 0.000 0.766 44 P CB 0.306 32.054 31.700 0.080 0.000 0.820 45 H N 3.780 122.859 119.070 0.015 0.000 3.086 45 H HA 0.156 4.712 4.556 -0.000 0.000 0.353 45 H C -2.072 173.225 175.328 -0.052 0.000 1.134 45 H CA -1.500 54.537 56.048 -0.017 0.000 1.248 45 H CB 2.050 31.854 29.762 0.070 0.000 1.878 45 H HN 0.120 nan 8.280 nan 0.000 0.527 46 P HA -0.194 nan 4.420 nan 0.000 0.218 46 P C 1.396 178.879 177.300 0.305 0.000 1.154 46 P CA 1.491 64.563 63.100 -0.048 0.000 0.872 46 P CB -0.035 31.486 31.700 -0.297 0.000 0.790 47 F N -0.880 119.307 119.950 0.395 0.000 2.416 47 F HA 0.069 4.596 4.527 -0.000 0.000 0.296 47 F C 1.583 177.160 175.800 -0.372 0.000 1.099 47 F CA -0.524 57.452 58.000 -0.040 0.000 1.427 47 F CB -0.185 38.763 39.000 -0.087 0.000 1.079 47 F HN -0.227 nan 8.300 nan 0.000 0.536 48 L N 1.366 122.516 121.223 -0.123 0.000 2.410 48 L HA -0.005 4.335 4.340 -0.000 0.000 0.273 48 L C 1.384 178.138 176.870 -0.195 0.000 1.144 48 L CA -0.289 54.361 54.840 -0.317 0.000 0.863 48 L CB 0.443 42.352 42.059 -0.249 0.000 1.140 48 L HN 0.170 nan 8.230 nan 0.000 0.463 49 H N 3.898 122.896 119.070 -0.120 0.000 2.436 49 H HA 0.059 4.615 4.556 -0.000 0.000 0.294 49 H C 0.588 175.853 175.328 -0.105 0.000 1.048 49 H CA 0.779 56.772 56.048 -0.093 0.000 1.353 49 H CB 0.328 30.021 29.762 -0.116 0.000 1.414 49 H HN 0.610 nan 8.280 nan 0.000 0.536 50 R N -1.111 119.382 120.500 -0.011 0.000 2.781 50 R HA 0.396 4.736 4.340 -0.000 0.000 0.268 50 R C -1.581 174.674 176.300 -0.074 0.000 1.047 50 R CA -0.899 55.113 56.100 -0.146 0.000 0.925 50 R CB 1.771 31.993 30.300 -0.130 0.000 1.246 50 R HN 0.037 nan 8.270 nan 0.000 0.456 51 Y N -2.769 117.524 120.300 -0.011 0.000 2.788 51 Y HA 0.479 5.029 4.550 -0.000 0.000 0.335 51 Y C -1.788 174.161 175.900 0.083 0.000 1.287 51 Y CA -1.749 56.358 58.100 0.013 0.000 1.068 51 Y CB 0.273 38.735 38.460 0.003 0.000 1.340 51 Y HN 0.585 nan 8.280 nan 0.000 0.449 52 Y N 2.795 123.253 120.300 0.264 0.000 2.393 52 Y HA 0.404 4.954 4.550 -0.000 0.000 0.338 52 Y C -0.500 175.496 175.900 0.161 0.000 1.029 52 Y CA -0.997 57.173 58.100 0.117 0.000 1.239 52 Y CB 0.900 39.367 38.460 0.011 0.000 1.170 52 Y HN 0.655 nan 8.280 nan 0.000 0.515 53 Q N 7.156 126.992 119.800 0.061 0.000 2.563 53 Q HA 0.258 4.598 4.340 -0.000 0.000 0.232 53 Q C 0.882 176.645 176.000 -0.396 0.000 1.106 53 Q CA -0.354 55.374 55.803 -0.125 0.000 0.913 53 Q CB 0.688 29.430 28.738 0.007 0.000 1.175 53 Q HN 0.798 nan 8.270 nan 0.000 0.540 54 R N 0.680 120.674 120.500 -0.843 0.000 2.316 54 R HA -0.221 4.119 4.340 -0.000 0.000 0.232 54 R C 1.154 177.146 176.300 -0.513 0.000 1.137 54 R CA 1.336 56.840 56.100 -0.995 0.000 1.012 54 R CB 0.162 29.581 30.300 -1.467 0.000 0.859 54 R HN 0.531 nan 8.270 nan 0.000 0.474 55 Q N -0.211 119.415 119.800 -0.291 0.000 2.331 55 Q HA 0.012 4.351 4.340 -0.000 0.000 0.203 55 Q C 1.420 177.386 176.000 -0.057 0.000 0.944 55 Q CA 0.784 56.509 55.803 -0.130 0.000 0.892 55 Q CB 0.071 28.756 28.738 -0.089 0.000 0.983 55 Q HN 0.309 nan 8.270 nan 0.000 0.482 56 L N -0.075 121.113 121.223 -0.059 0.000 2.591 56 L HA 0.211 4.551 4.340 -0.000 0.000 0.228 56 L C 0.591 177.480 176.870 0.032 0.000 1.133 56 L CA -0.203 54.634 54.840 -0.006 0.000 0.880 56 L CB 0.352 42.410 42.059 -0.002 0.000 1.033 56 L HN -0.004 nan 8.230 nan 0.000 0.450 57 S N -0.456 115.274 115.700 0.049 0.000 2.422 57 S HA 0.173 4.643 4.470 -0.000 0.000 0.308 57 S C 1.247 175.927 174.600 0.134 0.000 1.097 57 S CA -0.397 57.874 58.200 0.119 0.000 1.099 57 S CB 1.199 64.525 63.200 0.209 0.000 0.976 57 S HN 0.313 nan 8.310 nan 0.000 0.471 58 S N 3.122 118.884 115.700 0.103 0.000 2.453 58 S HA -0.094 4.376 4.470 -0.000 0.000 0.231 58 S C 1.415 176.077 174.600 0.103 0.000 1.005 58 S CA 1.180 59.435 58.200 0.090 0.000 0.949 58 S CB -0.773 62.464 63.200 0.062 0.000 0.774 58 S HN 0.837 nan 8.310 nan 0.000 0.510 59 T N -1.891 112.738 114.554 0.125 0.000 3.107 59 T HA 0.210 4.560 4.350 -0.000 0.000 0.249 59 T C 0.283 175.077 174.700 0.157 0.000 1.096 59 T CA -0.553 61.617 62.100 0.116 0.000 1.012 59 T CB -0.708 68.221 68.868 0.103 0.000 0.977 59 T HN 0.456 nan 8.240 nan 0.000 0.527 60 Y N 3.090 123.437 120.300 0.079 0.000 2.480 60 Y HA 0.384 4.934 4.550 -0.000 0.000 0.338 60 Y C 0.136 176.071 175.900 0.058 0.000 1.220 60 Y CA -1.141 57.013 58.100 0.090 0.000 1.430 60 Y CB 0.453 38.951 38.460 0.064 0.000 1.311 60 Y HN 0.042 nan 8.280 nan 0.000 0.575 61 R N 4.946 124.986 120.500 -0.767 0.000 2.539 61 R HA 0.119 4.459 4.340 -0.000 0.000 0.295 61 R C -1.460 174.373 176.300 -0.778 0.000 1.138 61 R CA -0.902 54.811 56.100 -0.645 0.000 0.936 61 R CB 0.967 31.123 30.300 -0.240 0.000 1.182 61 R HN 0.715 nan 8.270 nan 0.000 0.459 62 D N 3.035 122.951 120.400 -0.805 0.000 2.455 62 D HA -0.009 4.631 4.640 -0.000 0.000 0.241 62 D C 0.627 176.842 176.300 -0.142 0.000 1.138 62 D CA 0.305 54.100 54.000 -0.342 0.000 0.877 62 D CB 1.200 41.932 40.800 -0.113 0.000 1.187 62 D HN 0.508 nan 8.370 nan 0.000 0.451 63 L N 3.372 124.571 121.223 -0.040 0.000 2.585 63 L HA 0.163 4.503 4.340 -0.000 0.000 0.226 63 L C 0.853 177.728 176.870 0.008 0.000 1.113 63 L CA -0.086 54.748 54.840 -0.010 0.000 0.876 63 L CB 0.054 42.126 42.059 0.021 0.000 1.072 63 L HN 0.495 nan 8.230 nan 0.000 0.468 64 R N 1.052 121.564 120.500 0.018 0.000 3.264 64 R HA -0.205 4.135 4.340 -0.000 0.000 0.251 64 R C -0.205 176.111 176.300 0.027 0.000 0.971 64 R CA 0.642 56.755 56.100 0.023 0.000 0.658 64 R CB -1.498 28.808 30.300 0.010 0.000 1.095 64 R HN 0.242 nan 8.270 nan 0.000 0.443 65 K N -0.450 119.974 120.400 0.039 0.000 2.557 65 K HA 0.499 4.819 4.320 -0.000 0.000 0.261 65 K C -0.586 176.044 176.600 0.051 0.000 0.932 65 K CA -0.185 56.125 56.287 0.038 0.000 0.829 65 K CB 1.895 34.417 32.500 0.036 0.000 1.358 65 K HN 0.152 nan 8.250 nan 0.000 0.430 66 G N 1.134 109.959 108.800 0.043 0.000 2.389 66 G HA2 0.546 4.506 3.960 -0.000 0.000 0.328 66 G HA3 0.546 4.506 3.960 -0.000 0.000 0.328 66 G C -1.445 173.486 174.900 0.051 0.000 1.133 66 G CA -0.589 44.541 45.100 0.051 0.000 0.891 66 G HN 0.376 nan 8.290 nan 0.000 0.485 67 V N 2.895 122.844 119.914 0.060 0.000 2.443 67 V HA 0.659 4.779 4.120 -0.000 0.000 0.293 67 V C -1.758 174.278 176.094 -0.097 0.000 1.021 67 V CA -1.015 61.286 62.300 0.003 0.000 0.848 67 V CB 1.139 32.995 31.823 0.053 0.000 0.998 67 V HN 0.752 nan 8.190 nan 0.000 0.424 68 Y N 6.475 126.603 120.300 -0.288 0.000 2.326 68 Y HA 0.775 5.324 4.550 -0.000 0.000 0.331 68 Y C -1.286 174.298 175.900 -0.527 0.000 0.962 68 Y CA -0.761 57.109 58.100 -0.383 0.000 1.167 68 Y CB 1.938 40.273 38.460 -0.209 0.000 1.148 68 Y HN 0.417 nan 8.280 nan 0.000 0.463 69 V N 9.573 128.614 119.914 -1.454 0.000 2.407 69 V HA 0.496 4.616 4.120 -0.000 0.000 0.291 69 V C -2.435 173.036 176.094 -1.038 0.000 1.018 69 V CA -1.575 59.953 62.300 -1.286 0.000 0.842 69 V CB 1.721 32.687 31.823 -1.429 0.000 0.996 69 V HN 0.715 nan 8.190 nan 0.000 0.426 70 P HA 0.411 nan 4.420 nan 0.000 0.299 70 P C -1.081 176.200 177.300 -0.031 0.000 1.323 70 P CA -0.321 62.580 63.100 -0.331 0.000 0.896 70 P CB 2.854 34.381 31.700 -0.288 0.000 1.081 71 Y N 2.578 122.837 120.300 -0.069 0.000 3.057 71 Y HA 0.322 4.872 4.550 -0.000 0.000 0.148 71 Y C 0.164 176.077 175.900 0.022 0.000 0.877 71 Y CA 0.818 58.924 58.100 0.010 0.000 1.833 71 Y CB 0.073 38.584 38.460 0.085 0.000 1.278 71 Y HN 0.377 nan 8.280 nan 0.000 0.357 72 T N -1.224 113.279 114.554 -0.085 0.000 2.963 72 T HA 0.526 4.876 4.350 -0.000 0.000 0.328 72 T C 0.177 174.885 174.700 0.013 0.000 1.048 72 T CA 0.290 62.293 62.100 -0.162 0.000 1.033 72 T CB 0.667 69.345 68.868 -0.318 0.000 1.010 72 T HN 0.930 nan 8.240 nan 0.000 0.469 73 Q N 1.014 120.823 119.800 0.015 0.000 2.204 73 Q HA -0.137 4.203 4.340 -0.000 0.000 0.158 73 Q C 0.962 177.010 176.000 0.080 0.000 0.604 73 Q CA 2.419 58.249 55.803 0.045 0.000 1.414 73 Q CB -2.230 26.535 28.738 0.046 0.000 1.448 73 Q HN 2.142 nan 8.270 nan 0.000 0.905 74 G N -2.460 106.410 108.800 0.118 0.000 2.735 74 G HA2 1.091 5.051 3.960 -0.000 0.000 0.301 74 G HA3 1.091 5.051 3.960 -0.000 0.000 0.301 74 G C -0.126 174.845 174.900 0.117 0.000 1.279 74 G CA 0.823 46.014 45.100 0.151 0.000 1.019 74 G HN 1.801 nan 8.290 nan 0.000 0.497 75 K N -0.908 119.554 120.400 0.104 0.000 2.842 75 K HA 0.545 4.865 4.320 -0.000 0.000 0.291 75 K C -1.185 175.392 176.600 -0.038 0.000 1.089 75 K CA -0.283 55.966 56.287 -0.062 0.000 0.883 75 K CB 0.199 32.590 32.500 -0.182 0.000 1.423 75 K HN 1.466 nan 8.250 nan 0.000 0.368 76 W N 0.551 121.672 121.300 -0.299 0.000 3.349 76 W HA 0.878 5.538 4.660 -0.000 0.000 0.325 76 W C -0.516 175.869 176.519 -0.224 0.000 1.198 76 W CA -0.090 57.056 57.345 -0.332 0.000 0.985 76 W CB 0.795 29.838 29.460 -0.695 0.000 1.556 76 W HN 1.392 nan 8.180 nan 0.000 0.610 77 E N 0.507 120.864 120.200 0.262 0.000 2.584 77 E HA 0.496 4.846 4.350 -0.000 0.000 0.295 77 E C -1.161 175.606 176.600 0.278 0.000 1.109 77 E CA -0.639 55.851 56.400 0.151 0.000 0.900 77 E CB 0.954 30.717 29.700 0.104 0.000 1.195 77 E HN 0.889 nan 8.360 nan 0.000 0.433 78 G N 1.436 110.397 108.800 0.269 0.000 2.619 78 G HA2 0.500 4.460 3.960 -0.000 0.000 0.305 78 G HA3 0.500 4.460 3.960 -0.000 0.000 0.305 78 G C -1.560 173.431 174.900 0.152 0.000 1.330 78 G CA -0.842 44.372 45.100 0.191 0.000 0.789 78 G HN 0.403 nan 8.290 nan 0.000 0.487 79 E N -0.053 120.218 120.200 0.119 0.000 2.216 79 E HA 0.518 4.868 4.350 -0.000 0.000 0.279 79 E C -0.058 176.625 176.600 0.139 0.000 0.997 79 E CA -0.384 56.085 56.400 0.114 0.000 0.817 79 E CB 1.978 31.737 29.700 0.099 0.000 1.096 79 E HN 0.328 nan 8.360 nan 0.000 0.393 80 L N 2.328 123.626 121.223 0.125 0.000 2.397 80 L HA 0.601 4.941 4.340 -0.000 0.000 0.271 80 L C 0.756 177.704 176.870 0.131 0.000 1.148 80 L CA 0.048 54.962 54.840 0.124 0.000 0.825 80 L CB 0.695 42.812 42.059 0.097 0.000 1.117 80 L HN 0.670 nan 8.230 nan 0.000 0.456 81 G N 0.813 109.699 108.800 0.144 0.000 2.619 81 G HA2 0.623 4.583 3.960 -0.000 0.000 0.305 81 G HA3 0.623 4.583 3.960 -0.000 0.000 0.305 81 G C -1.275 173.692 174.900 0.111 0.000 1.330 81 G CA -0.171 45.008 45.100 0.132 0.000 0.789 81 G HN 0.553 nan 8.290 nan 0.000 0.487 82 T N -1.923 112.669 114.554 0.063 0.000 2.909 82 T HA 0.747 5.096 4.350 -0.000 0.000 0.299 82 T C -1.611 173.160 174.700 0.119 0.000 1.073 82 T CA -0.652 61.495 62.100 0.078 0.000 0.999 82 T CB 2.937 71.823 68.868 0.031 0.000 1.098 82 T HN 0.667 nan 8.240 nan 0.000 0.477 83 D N 0.399 120.883 120.400 0.141 0.000 2.692 83 D HA 0.365 5.005 4.640 -0.000 0.000 0.290 83 D C -0.892 175.482 176.300 0.124 0.000 1.281 83 D CA -0.650 53.450 54.000 0.166 0.000 0.804 83 D CB 1.940 42.900 40.800 0.266 0.000 1.331 83 D HN 0.658 nan 8.370 nan 0.000 0.432 84 L N 0.868 122.159 121.223 0.114 0.000 2.395 84 L HA 0.536 4.876 4.340 -0.000 0.000 0.269 84 L C -0.184 176.749 176.870 0.105 0.000 1.133 84 L CA -0.522 54.378 54.840 0.101 0.000 0.812 84 L CB 1.240 43.348 42.059 0.082 0.000 1.125 84 L HN 0.122 nan 8.230 nan 0.000 0.452 85 V N 1.522 121.519 119.914 0.139 0.000 2.971 85 V HA 0.599 4.719 4.120 -0.000 0.000 0.309 85 V C -0.529 175.652 176.094 0.146 0.000 1.130 85 V CA -0.496 61.898 62.300 0.158 0.000 0.964 85 V CB 2.255 34.249 31.823 0.284 0.000 1.029 85 V HN 0.840 nan 8.190 nan 0.000 0.427 86 S N 2.739 118.494 115.700 0.092 0.000 2.570 86 S HA 0.708 5.178 4.470 -0.000 0.000 0.270 86 S C -1.078 173.540 174.600 0.030 0.000 1.149 86 S CA -0.544 57.699 58.200 0.071 0.000 0.837 86 S CB 1.966 65.192 63.200 0.042 0.000 1.124 86 S HN 0.568 nan 8.310 nan 0.000 0.465 87 I N 2.872 123.461 120.570 0.031 0.000 2.405 87 I HA 0.282 4.452 4.170 -0.000 0.000 0.280 87 I C -1.946 174.156 176.117 -0.025 0.000 1.027 87 I CA -2.234 59.069 61.300 0.005 0.000 1.161 87 I CB 1.735 39.755 38.000 0.033 0.000 1.300 87 I HN 0.407 nan 8.210 nan 0.000 0.463 88 P HA -0.203 nan 4.420 nan 0.000 0.217 88 P C 0.531 177.662 177.300 -0.281 0.000 1.158 88 P CA 1.611 64.566 63.100 -0.242 0.000 0.887 88 P CB 0.051 31.518 31.700 -0.388 0.000 0.792 89 H N -1.368 117.727 119.070 0.042 0.000 2.533 89 H HA 0.537 5.093 4.556 -0.000 0.000 0.281 89 H C 0.961 176.319 175.328 0.051 0.000 1.238 89 H CA 0.029 56.105 56.048 0.047 0.000 1.024 89 H CB -0.134 29.656 29.762 0.046 0.000 1.604 89 H HN 0.113 nan 8.280 nan 0.000 0.531 90 G N 0.794 109.667 108.800 0.121 0.000 3.135 90 G HA2 0.327 4.287 3.960 -0.000 0.000 0.278 90 G HA3 0.327 4.287 3.960 -0.000 0.000 0.278 90 G C -2.672 172.283 174.900 0.092 0.000 1.302 90 G CA -1.398 43.762 45.100 0.100 0.000 0.880 90 G HN -0.077 nan 8.290 nan 0.000 0.574 91 P HA 0.095 nan 4.420 nan 0.000 0.268 91 P C -0.835 176.502 177.300 0.061 0.000 1.208 91 P CA 0.191 63.338 63.100 0.078 0.000 0.777 91 P CB 0.682 32.418 31.700 0.060 0.000 0.875 92 Q N 1.294 121.130 119.800 0.059 0.000 2.678 92 Q HA 0.305 4.645 4.340 -0.000 0.000 0.222 92 Q C 0.216 176.237 176.000 0.035 0.000 1.281 92 Q CA -0.248 55.581 55.803 0.043 0.000 0.994 92 Q CB 0.110 28.873 28.738 0.042 0.000 1.452 92 Q HN 0.309 nan 8.270 nan 0.000 0.570 93 V N -1.798 118.136 119.914 0.033 0.000 3.182 93 V HA 0.748 4.868 4.120 -0.000 0.000 0.308 93 V C -0.398 175.715 176.094 0.032 0.000 1.240 93 V CA -0.899 61.417 62.300 0.027 0.000 1.063 93 V CB 2.400 34.231 31.823 0.013 0.000 1.076 93 V HN 0.291 nan 8.190 nan 0.000 0.446 94 T N 1.509 116.081 114.554 0.029 0.000 3.011 94 T HA 0.693 5.043 4.350 -0.000 0.000 0.303 94 T C -0.590 174.131 174.700 0.036 0.000 0.997 94 T CA -0.301 61.825 62.100 0.044 0.000 1.007 94 T CB 1.326 70.218 68.868 0.041 0.000 1.017 94 T HN 1.510 nan 8.240 nan 0.000 0.443 95 V N 1.322 121.269 119.914 0.054 0.000 3.046 95 V HA 0.793 4.913 4.120 -0.000 0.000 0.316 95 V C -0.282 175.857 176.094 0.074 0.000 1.104 95 V CA -1.620 60.696 62.300 0.026 0.000 1.006 95 V CB 1.960 33.746 31.823 -0.062 0.000 1.058 95 V HN 0.825 nan 8.190 nan 0.000 0.440 96 R N 1.863 122.392 120.500 0.048 0.000 2.221 96 R HA 0.786 5.126 4.340 -0.000 0.000 0.327 96 R C -0.347 176.011 176.300 0.097 0.000 1.033 96 R CA 0.434 56.578 56.100 0.074 0.000 0.887 96 R CB 0.828 31.154 30.300 0.044 0.000 1.057 96 R HN 1.307 nan 8.270 nan 0.000 0.455 97 A N 4.134 127.057 122.820 0.172 0.000 2.454 97 A HA 0.442 4.762 4.320 -0.000 0.000 0.302 97 A C -1.122 176.588 177.584 0.210 0.000 1.079 97 A CA -1.106 51.077 52.037 0.243 0.000 0.731 97 A CB 1.348 20.665 19.000 0.528 0.000 1.299 97 A HN 0.816 nan 8.150 nan 0.000 0.413 98 N N 0.617 119.439 118.700 0.204 0.000 2.513 98 N HA 0.407 5.147 4.740 -0.000 0.000 0.268 98 N C -0.842 174.750 175.510 0.136 0.000 1.180 98 N CA 0.622 53.763 53.050 0.151 0.000 0.948 98 N CB 0.744 39.315 38.487 0.140 0.000 1.083 98 N HN 0.531 nan 8.380 nan 0.000 0.455 99 I N 0.492 121.083 120.570 0.036 0.000 2.619 99 I HA 0.359 4.529 4.170 -0.000 0.000 0.292 99 I C -0.408 175.691 176.117 -0.029 0.000 1.100 99 I CA -1.102 60.100 61.300 -0.164 0.000 1.043 99 I CB 2.060 39.877 38.000 -0.305 0.000 1.239 99 I HN 0.355 nan 8.210 nan 0.000 0.420 100 A N 4.512 127.294 122.820 -0.063 0.000 2.253 100 A HA 0.758 5.078 4.320 -0.000 0.000 0.316 100 A C 0.244 177.830 177.584 0.004 0.000 1.327 100 A CA -0.489 51.581 52.037 0.055 0.000 0.917 100 A CB 0.613 19.705 19.000 0.154 0.000 1.162 100 A HN 0.828 nan 8.150 nan 0.000 0.535 101 A N 4.301 127.175 122.820 0.090 0.000 2.805 101 A HA 0.487 4.807 4.320 -0.000 0.000 0.301 101 A C 0.264 177.887 177.584 0.065 0.000 1.557 101 A CA -0.317 51.773 52.037 0.089 0.000 1.254 101 A CB -0.876 18.172 19.000 0.080 0.000 1.114 101 A HN 0.785 nan 8.150 nan 0.000 0.553 102 I N 2.505 123.082 120.570 0.011 0.000 2.828 102 I HA -0.075 4.095 4.170 -0.000 0.000 0.292 102 I C 1.612 177.764 176.117 0.059 0.000 1.206 102 I CA 0.996 62.315 61.300 0.031 0.000 1.420 102 I CB 0.590 38.484 38.000 -0.178 0.000 1.368 102 I HN 0.769 nan 8.210 nan 0.000 0.556 103 T N 1.090 115.694 114.554 0.083 0.000 2.954 103 T HA 0.275 4.625 4.350 -0.000 0.000 0.252 103 T C 0.320 175.052 174.700 0.053 0.000 0.983 103 T CA -0.288 61.834 62.100 0.037 0.000 0.941 103 T CB 0.270 69.148 68.868 0.018 0.000 1.141 103 T HN 0.595 nan 8.240 nan 0.000 0.500 104 E N 1.451 121.705 120.200 0.089 0.000 2.290 104 E HA 0.609 4.959 4.350 -0.000 0.000 0.274 104 E C -1.351 175.312 176.600 0.106 0.000 0.889 104 E CA -0.855 55.595 56.400 0.084 0.000 0.760 104 E CB 2.324 32.066 29.700 0.071 0.000 1.206 104 E HN 0.373 nan 8.360 nan 0.000 0.419 105 S N 1.600 117.359 115.700 0.098 0.000 2.567 105 S HA 0.578 5.048 4.470 -0.000 0.000 0.270 105 S C -1.799 172.868 174.600 0.111 0.000 1.152 105 S CA -1.016 57.239 58.200 0.092 0.000 0.835 105 S CB 2.226 65.418 63.200 -0.012 0.000 1.115 105 S HN 0.482 nan 8.310 nan 0.000 0.459 106 D N 0.269 120.744 120.400 0.125 0.000 2.936 106 D HA 0.503 5.143 4.640 -0.000 0.000 0.238 106 D C -1.091 175.316 176.300 0.179 0.000 1.248 106 D CA -0.363 53.716 54.000 0.132 0.000 0.903 106 D CB 1.078 41.937 40.800 0.097 0.000 1.544 106 D HN 0.772 nan 8.370 nan 0.000 0.543 107 K N 2.182 122.700 120.400 0.195 0.000 3.125 107 K HA -0.224 4.096 4.320 -0.000 0.000 0.268 107 K C -0.203 176.560 176.600 0.272 0.000 1.078 107 K CA 0.636 57.055 56.287 0.221 0.000 0.775 107 K CB -1.444 31.170 32.500 0.190 0.000 1.253 107 K HN 0.445 nan 8.250 nan 0.000 0.486 108 F N -0.299 119.675 119.950 0.039 0.000 2.549 108 F HA 0.347 4.874 4.527 -0.000 0.000 0.275 108 F C 0.334 176.113 175.800 -0.035 0.000 0.990 108 F CA -0.190 57.779 58.000 -0.052 0.000 1.274 108 F CB 0.666 39.499 39.000 -0.277 0.000 1.064 108 F HN -0.022 nan 8.300 nan 0.000 0.715 109 F N 2.498 122.468 119.950 0.034 0.000 2.427 109 F HA 0.331 4.858 4.527 -0.000 0.000 0.352 109 F C 0.091 175.832 175.800 -0.098 0.000 1.100 109 F CA -0.688 57.155 58.000 -0.262 0.000 1.191 109 F CB 0.644 39.387 39.000 -0.428 0.000 1.128 109 F HN -0.312 nan 8.300 nan 0.000 0.533 110 I N 3.312 123.708 120.570 -0.291 0.000 2.371 110 I HA 0.069 4.239 4.170 -0.000 0.000 0.290 110 I C 0.132 175.903 176.117 -0.577 0.000 1.028 110 I CA -0.406 60.694 61.300 -0.334 0.000 1.345 110 I CB 1.168 38.991 38.000 -0.295 0.000 1.407 110 I HN 0.579 nan 8.210 nan 0.000 0.501 111 Q N 5.528 124.814 119.800 -0.857 0.000 2.281 111 Q HA 0.247 4.587 4.340 -0.000 0.000 0.267 111 Q C 0.928 176.607 176.000 -0.535 0.000 1.053 111 Q CA 0.761 55.914 55.803 -1.083 0.000 0.905 111 Q CB 0.492 28.383 28.738 -1.411 0.000 1.195 111 Q HN 0.972 nan 8.270 nan 0.000 0.398 112 G N 2.602 111.151 108.800 -0.418 0.000 2.132 112 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.234 112 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.234 112 G C 0.642 175.435 174.900 -0.178 0.000 0.989 112 G CA 0.590 45.559 45.100 -0.218 0.000 0.676 112 G HN 0.822 nan 8.290 nan 0.000 0.522 113 S N -0.258 115.258 115.700 -0.307 0.000 2.406 113 S HA 0.076 4.546 4.470 -0.000 0.000 0.224 113 S C 1.336 175.862 174.600 -0.123 0.000 1.030 113 S CA 1.388 59.440 58.200 -0.247 0.000 0.958 113 S CB -0.125 62.680 63.200 -0.658 0.000 0.811 113 S HN 1.644 nan 8.310 nan 0.000 0.489 114 N N 0.400 118.948 118.700 -0.253 0.000 2.937 114 N HA -0.105 4.635 4.740 -0.000 0.000 0.248 114 N C -0.490 174.809 175.510 -0.352 0.000 1.069 114 N CA 1.206 54.159 53.050 -0.161 0.000 0.822 114 N CB -1.824 36.626 38.487 -0.060 0.000 1.122 114 N HN 0.865 nan 8.380 nan 0.000 0.554 115 W N -0.764 120.341 121.300 -0.325 0.000 2.719 115 W HA 0.717 5.377 4.660 -0.000 0.000 0.352 115 W C 0.039 176.411 176.519 -0.246 0.000 1.085 115 W CA -0.655 56.484 57.345 -0.342 0.000 1.187 115 W CB 0.576 29.913 29.460 -0.206 0.000 1.417 115 W HN -0.043 nan 8.180 nan 0.000 0.557 116 E N 0.959 121.293 120.200 0.224 0.000 2.676 116 E HA 0.369 4.719 4.350 -0.000 0.000 0.222 116 E C 0.426 177.232 176.600 0.343 0.000 0.968 116 E CA -0.051 56.380 56.400 0.053 0.000 1.090 116 E CB 1.471 31.131 29.700 -0.068 0.000 1.066 116 E HN 0.645 nan 8.360 nan 0.000 0.496 117 G N 0.221 109.319 108.800 0.498 0.000 2.550 117 G HA2 0.599 4.559 3.960 -0.000 0.000 0.293 117 G HA3 0.599 4.559 3.960 -0.000 0.000 0.293 117 G C -1.834 173.132 174.900 0.109 0.000 1.402 117 G CA -0.705 44.606 45.100 0.352 0.000 0.784 117 G HN 0.063 nan 8.290 nan 0.000 0.482 118 I N -0.162 120.448 120.570 0.067 0.000 2.619 118 I HA 0.604 4.774 4.170 -0.000 0.000 0.292 118 I C -1.502 174.602 176.117 -0.022 0.000 1.100 118 I CA -1.193 60.037 61.300 -0.116 0.000 1.043 118 I CB 2.058 39.963 38.000 -0.159 0.000 1.239 118 I HN 0.467 nan 8.210 nan 0.000 0.420 119 L N 8.280 129.387 121.223 -0.194 0.000 2.321 119 L HA 0.597 4.937 4.340 -0.000 0.000 0.272 119 L C 0.155 176.891 176.870 -0.223 0.000 1.050 119 L CA -0.123 54.523 54.840 -0.323 0.000 0.893 119 L CB 0.582 42.303 42.059 -0.565 0.000 1.272 119 L HN 0.629 nan 8.230 nan 0.000 0.435 120 G N 5.111 113.848 108.800 -0.106 0.000 2.335 120 G HA2 0.320 4.280 3.960 -0.000 0.000 0.268 120 G HA3 0.320 4.280 3.960 -0.000 0.000 0.268 120 G C 0.430 175.263 174.900 -0.112 0.000 1.228 120 G CA -0.384 44.666 45.100 -0.082 0.000 0.968 120 G HN 0.734 nan 8.290 nan 0.000 0.459 121 L N 1.991 123.111 121.223 -0.173 0.000 2.700 121 L HA 0.303 4.643 4.340 -0.000 0.000 0.234 121 L C 1.576 178.350 176.870 -0.160 0.000 1.156 121 L CA -0.260 54.428 54.840 -0.253 0.000 0.946 121 L CB -0.101 41.609 42.059 -0.582 0.000 1.216 121 L HN 0.567 nan 8.230 nan 0.000 0.493 122 A N -0.939 121.796 122.820 -0.141 0.000 2.257 122 A HA 0.517 4.837 4.320 -0.000 0.000 0.289 122 A C -0.761 176.626 177.584 -0.328 0.000 1.095 122 A CA -0.354 51.502 52.037 -0.302 0.000 0.836 122 A CB 0.156 19.026 19.000 -0.217 0.000 1.111 122 A HN 0.134 nan 8.150 nan 0.000 0.497 123 Y N -0.166 120.020 120.300 -0.190 0.000 2.480 123 Y HA 0.256 4.806 4.550 -0.000 0.000 0.338 123 Y C 1.705 177.585 175.900 -0.034 0.000 1.220 123 Y CA 0.651 58.707 58.100 -0.073 0.000 1.430 123 Y CB 0.436 38.866 38.460 -0.051 0.000 1.311 123 Y HN 0.723 nan 8.280 nan 0.000 0.575 124 A N 1.887 124.797 122.820 0.150 0.000 2.084 124 A HA -0.287 4.033 4.320 -0.000 0.000 0.221 124 A C 2.053 179.695 177.584 0.095 0.000 1.161 124 A CA 1.793 53.891 52.037 0.100 0.000 0.653 124 A CB -0.790 18.267 19.000 0.095 0.000 0.802 124 A HN 0.941 nan 8.150 nan 0.000 0.457 125 E N 0.557 120.834 120.200 0.128 0.000 2.130 125 E HA -0.198 4.152 4.350 -0.000 0.000 0.196 125 E C 1.454 178.119 176.600 0.108 0.000 0.998 125 E CA 1.736 58.206 56.400 0.117 0.000 0.806 125 E CB -0.352 29.442 29.700 0.158 0.000 0.738 125 E HN 0.820 nan 8.360 nan 0.000 0.459 126 I N -2.438 118.172 120.570 0.066 0.000 3.889 126 I HA 0.492 4.662 4.170 -0.000 0.000 0.332 126 I C 0.276 176.392 176.117 -0.002 0.000 1.493 126 I CA -0.591 60.712 61.300 0.006 0.000 1.158 126 I CB 0.334 38.210 38.000 -0.207 0.000 1.117 126 I HN 0.012 nan 8.210 nan 0.000 0.411 127 A N 1.623 124.462 122.820 0.031 0.000 2.286 127 A HA 0.729 5.049 4.320 -0.000 0.000 0.286 127 A C -0.019 177.595 177.584 0.051 0.000 1.097 127 A CA -0.568 51.496 52.037 0.046 0.000 0.821 127 A CB 0.678 19.715 19.000 0.062 0.000 1.076 127 A HN 0.375 nan 8.150 nan 0.000 0.490 128 R N 0.892 121.429 120.500 0.062 0.000 2.664 128 R HA 0.377 4.717 4.340 -0.000 0.000 0.286 128 R C -2.275 174.062 176.300 0.062 0.000 0.967 128 R CA -2.117 54.007 56.100 0.041 0.000 0.933 128 R CB 1.018 31.318 30.300 -0.000 0.000 1.146 128 R HN 0.395 nan 8.270 nan 0.000 0.468 129 P HA -0.108 nan 4.420 nan 0.000 0.220 129 P C -0.284 177.034 177.300 0.030 0.000 1.148 129 P CA 1.350 64.466 63.100 0.026 0.000 0.803 129 P CB 0.373 32.091 31.700 0.029 0.000 0.782 130 D N -2.853 117.570 120.400 0.040 0.000 2.851 130 D HA -0.016 4.624 4.640 -0.000 0.000 0.339 130 D C -0.482 175.846 176.300 0.047 0.000 1.347 130 D CA -0.564 53.460 54.000 0.040 0.000 0.888 130 D CB -0.488 40.333 40.800 0.034 0.000 1.431 130 D HN -0.163 nan 8.370 nan 0.000 0.509 131 D N -1.133 119.294 120.400 0.046 0.000 2.407 131 D HA -0.038 4.602 4.640 -0.000 0.000 0.234 131 D C 0.961 177.290 176.300 0.048 0.000 1.029 131 D CA 1.011 55.041 54.000 0.051 0.000 0.937 131 D CB -0.228 40.601 40.800 0.047 0.000 0.882 131 D HN 0.279 nan 8.370 nan 0.000 0.531 132 S N -1.045 114.681 115.700 0.044 0.000 2.539 132 S HA 0.110 4.580 4.470 -0.000 0.000 0.221 132 S C 0.669 175.297 174.600 0.046 0.000 0.987 132 S CA -0.717 57.507 58.200 0.040 0.000 0.929 132 S CB -0.150 63.069 63.200 0.032 0.000 0.832 132 S HN 0.187 nan 8.310 nan 0.000 0.492 133 L N 3.656 124.913 121.223 0.056 0.000 2.387 133 L HA 0.386 4.726 4.340 -0.000 0.000 0.267 133 L C 0.280 177.196 176.870 0.076 0.000 1.197 133 L CA -0.315 54.566 54.840 0.068 0.000 1.070 133 L CB -0.458 41.648 42.059 0.078 0.000 1.349 133 L HN 0.326 nan 8.230 nan 0.000 0.422 134 E N 4.805 125.045 120.200 0.066 0.000 3.025 134 E HA -0.090 4.259 4.350 -0.000 0.000 0.248 134 E C -2.044 174.609 176.600 0.088 0.000 0.938 134 E CA -0.878 55.561 56.400 0.064 0.000 0.958 134 E CB 0.420 30.145 29.700 0.043 0.000 0.898 134 E HN 0.400 nan 8.360 nan 0.000 0.537 135 P HA -0.053 nan 4.420 nan 0.000 0.269 135 P C -0.041 177.335 177.300 0.128 0.000 1.215 135 P CA -0.156 63.012 63.100 0.114 0.000 0.780 135 P CB 0.382 32.124 31.700 0.070 0.000 0.898 136 F N 2.896 122.863 119.950 0.028 0.000 2.065 136 F HA -0.258 4.269 4.527 -0.000 0.000 0.298 136 F C 1.953 177.727 175.800 -0.044 0.000 1.112 136 F CA 1.595 59.589 58.000 -0.011 0.000 1.212 136 F CB -0.850 38.081 39.000 -0.115 0.000 0.975 136 F HN 0.233 nan 8.300 nan 0.000 0.476 137 F N 1.452 121.271 119.950 -0.218 0.000 2.202 137 F HA -0.201 4.326 4.527 -0.000 0.000 0.301 137 F C 1.935 177.563 175.800 -0.286 0.000 1.082 137 F CA 2.198 59.992 58.000 -0.344 0.000 1.313 137 F CB -0.701 38.164 39.000 -0.225 0.000 1.024 137 F HN 0.053 nan 8.300 nan 0.000 0.495 138 D N -1.149 119.203 120.400 -0.080 0.000 2.178 138 D HA -0.135 4.505 4.640 -0.000 0.000 0.202 138 D C 2.361 178.539 176.300 -0.203 0.000 0.974 138 D CA 1.419 55.366 54.000 -0.088 0.000 0.841 138 D CB -0.147 40.657 40.800 0.007 0.000 0.953 138 D HN 0.166 nan 8.370 nan 0.000 0.478 139 S N 0.280 115.825 115.700 -0.258 0.000 2.371 139 S HA -0.087 4.383 4.470 -0.000 0.000 0.224 139 S C 1.780 176.159 174.600 -0.369 0.000 1.029 139 S CA 0.256 58.303 58.200 -0.254 0.000 0.978 139 S CB -0.255 62.828 63.200 -0.195 0.000 0.833 139 S HN 0.183 nan 8.310 nan 0.000 0.466 140 L N 2.192 123.039 121.223 -0.627 0.000 2.042 140 L HA -0.065 4.275 4.340 -0.000 0.000 0.210 140 L C 2.141 178.732 176.870 -0.464 0.000 1.076 140 L CA 1.612 56.082 54.840 -0.616 0.000 0.749 140 L CB -0.702 40.818 42.059 -0.898 0.000 0.893 140 L HN 0.126 nan 8.230 nan 0.000 0.432 141 V N -0.359 119.249 119.914 -0.510 0.000 2.295 141 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 141 V C 2.598 178.554 176.094 -0.230 0.000 1.049 141 V CA 2.160 64.249 62.300 -0.351 0.000 1.024 141 V CB -0.651 30.999 31.823 -0.287 0.000 0.648 141 V HN 0.456 nan 8.190 nan 0.000 0.447 142 K N -0.339 119.943 120.400 -0.197 0.000 2.097 142 K HA -0.143 4.177 4.320 -0.000 0.000 0.205 142 K C 2.148 178.661 176.600 -0.145 0.000 1.050 142 K CA 1.320 57.522 56.287 -0.142 0.000 0.938 142 K CB -0.136 32.302 32.500 -0.104 0.000 0.718 142 K HN 0.530 nan 8.250 nan 0.000 0.442 143 Q N 0.091 119.799 119.800 -0.154 0.000 2.432 143 Q HA -0.013 4.327 4.340 -0.000 0.000 0.205 143 Q C 0.609 176.546 176.000 -0.105 0.000 0.945 143 Q CA 0.742 56.475 55.803 -0.116 0.000 0.924 143 Q CB 0.606 29.283 28.738 -0.103 0.000 1.016 143 Q HN 0.337 nan 8.270 nan 0.000 0.503 144 T N -4.175 110.291 114.554 -0.146 0.000 2.669 144 T HA 0.286 4.636 4.350 -0.000 0.000 0.283 144 T C -0.139 174.460 174.700 -0.168 0.000 1.019 144 T CA -0.786 61.269 62.100 -0.075 0.000 1.039 144 T CB 0.860 69.697 68.868 -0.053 0.000 1.374 144 T HN -0.011 nan 8.240 nan 0.000 0.523 145 H N -1.011 118.030 119.070 -0.049 0.000 2.520 145 H HA 0.516 5.072 4.556 -0.000 0.000 0.284 145 H C 0.212 175.527 175.328 -0.022 0.000 1.037 145 H CA -0.220 55.812 56.048 -0.026 0.000 1.168 145 H CB -0.093 29.666 29.762 -0.005 0.000 1.497 145 H HN 0.287 nan 8.280 nan 0.000 0.547 146 V N 3.168 123.090 119.914 0.013 0.000 2.529 146 V HA 0.058 4.178 4.120 -0.000 0.000 0.292 146 V C -1.789 174.295 176.094 -0.016 0.000 1.028 146 V CA -1.469 60.827 62.300 -0.006 0.000 1.074 146 V CB 0.775 32.545 31.823 -0.088 0.000 0.958 146 V HN 0.203 nan 8.190 nan 0.000 0.481 147 P HA 0.020 nan 4.420 nan 0.000 0.266 147 P C -0.047 177.337 177.300 0.140 0.000 1.195 147 P CA -0.086 63.066 63.100 0.086 0.000 0.768 147 P CB 0.247 32.016 31.700 0.115 0.000 0.838 148 N N 3.576 122.370 118.700 0.157 0.000 3.027 148 N HA 0.163 4.903 4.740 -0.000 0.000 0.309 148 N C -0.850 174.889 175.510 0.382 0.000 1.222 148 N CA 0.356 53.594 53.050 0.314 0.000 1.187 148 N CB -1.089 37.532 38.487 0.224 0.000 1.458 148 N HN 0.344 nan 8.380 nan 0.000 0.535 149 L N 1.550 123.047 121.223 0.457 0.000 2.710 149 L HA 0.653 4.993 4.340 -0.000 0.000 0.260 149 L C -1.956 175.103 176.870 0.316 0.000 0.993 149 L CA -0.947 54.047 54.840 0.255 0.000 0.877 149 L CB 1.132 43.267 42.059 0.126 0.000 1.461 149 L HN 0.178 nan 8.230 nan 0.000 0.413 150 F N 0.802 120.716 119.950 -0.060 0.000 2.688 150 F HA 0.818 5.345 4.527 -0.000 0.000 0.308 150 F C -1.402 174.350 175.800 -0.081 0.000 1.117 150 F CA -0.316 57.620 58.000 -0.107 0.000 0.976 150 F CB 1.324 40.169 39.000 -0.258 0.000 1.291 150 F HN 0.484 nan 8.300 nan 0.000 0.439 151 S N 2.846 118.501 115.700 -0.075 0.000 2.570 151 S HA 0.911 5.381 4.470 -0.000 0.000 0.286 151 S C -1.505 173.075 174.600 -0.035 0.000 1.099 151 S CA -0.877 57.161 58.200 -0.269 0.000 0.913 151 S CB 2.112 64.992 63.200 -0.534 0.000 1.085 151 S HN 0.877 nan 8.310 nan 0.000 0.480 152 L N 1.467 122.631 121.223 -0.099 0.000 2.386 152 L HA 0.596 4.936 4.340 -0.000 0.000 0.271 152 L C -0.481 176.424 176.870 0.059 0.000 0.993 152 L CA -0.452 54.404 54.840 0.026 0.000 0.819 152 L CB 2.179 44.261 42.059 0.039 0.000 1.294 152 L HN 0.785 nan 8.230 nan 0.000 0.414 153 Q N 4.292 124.159 119.800 0.112 0.000 2.464 153 Q HA 0.460 4.800 4.340 -0.000 0.000 0.256 153 Q C -1.705 174.267 176.000 -0.047 0.000 1.020 153 Q CA -0.512 55.369 55.803 0.130 0.000 0.716 153 Q CB 1.222 30.067 28.738 0.177 0.000 1.230 153 Q HN 0.621 nan 8.270 nan 0.000 0.494 154 L N 2.985 124.128 121.223 -0.133 0.000 2.290 154 L HA 0.367 4.707 4.340 -0.000 0.000 0.284 154 L C -0.044 176.819 176.870 -0.011 0.000 1.078 154 L CA -0.634 54.041 54.840 -0.274 0.000 0.815 154 L CB 1.032 42.801 42.059 -0.483 0.000 1.162 154 L HN 0.722 nan 8.230 nan 0.000 0.435 155 c N 2.319 120.967 118.600 0.079 0.000 2.469 155 c HA 0.193 4.763 4.570 -0.000 0.000 0.298 155 c C 1.520 175.698 174.090 0.146 0.000 1.436 155 c CA -1.097 55.294 56.329 0.103 0.000 1.783 155 c CB -0.880 41.672 42.510 0.070 0.000 2.726 155 c HN 1.037 nan 8.230 nan 0.000 0.541 156 G N 1.822 110.762 108.800 0.233 0.000 2.898 156 G HA2 0.196 4.156 3.960 -0.000 0.000 0.325 156 G HA3 0.196 4.156 3.960 -0.000 0.000 0.325 156 G C 1.185 176.123 174.900 0.064 0.000 0.279 156 G CA 1.018 46.206 45.100 0.146 0.000 1.228 156 G HN 1.110 nan 8.290 nan 0.000 0.256 157 A N 2.208 125.046 122.820 0.029 0.000 4.512 157 A HA 0.006 4.326 4.320 -0.000 0.000 0.353 157 A C 2.345 180.006 177.584 0.130 0.000 1.537 157 A CA 3.077 55.132 52.037 0.029 0.000 0.843 157 A CB -0.993 17.911 19.000 -0.159 0.000 1.321 157 A HN 2.561 nan 8.150 nan 0.000 0.412 158 G N -3.697 105.226 108.800 0.205 0.000 4.511 158 G HA2 0.543 4.503 3.960 -0.000 0.000 0.220 158 G HA3 0.543 4.503 3.960 -0.000 0.000 0.220 158 G C 0.016 175.205 174.900 0.482 0.000 0.733 158 G CA 0.486 45.759 45.100 0.288 0.000 0.897 158 G HN 2.177 nan 8.290 nan 0.000 0.691 159 F N -2.172 117.822 119.950 0.074 0.000 2.842 159 F HA 0.729 5.256 4.527 -0.000 0.000 0.319 159 F C -3.144 172.684 175.800 0.047 0.000 1.159 159 F CA -2.968 55.085 58.000 0.088 0.000 0.902 159 F CB -0.036 39.006 39.000 0.070 0.000 1.311 159 F HN -0.082 nan 8.300 nan 0.000 0.453 160 P HA 0.169 nan 4.420 nan 0.000 0.258 160 P C -0.762 176.297 177.300 -0.402 0.000 1.172 160 P CA 0.517 63.519 63.100 -0.164 0.000 0.762 160 P CB 0.297 31.973 31.700 -0.039 0.000 0.764 161 L N 4.099 125.121 121.223 -0.336 0.000 2.275 161 L HA 0.265 4.605 4.340 -0.000 0.000 0.288 161 L C 0.964 177.724 176.870 -0.183 0.000 1.046 161 L CA -0.431 54.208 54.840 -0.335 0.000 0.805 161 L CB 0.821 42.709 42.059 -0.284 0.000 1.193 161 L HN 0.362 nan 8.230 nan 0.000 0.426 162 Q N 1.348 121.062 119.800 -0.143 0.000 2.237 162 Q HA 0.104 4.444 4.340 -0.000 0.000 0.219 162 Q C 0.586 176.549 176.000 -0.061 0.000 0.999 162 Q CA -0.467 55.290 55.803 -0.077 0.000 0.959 162 Q CB 1.219 29.932 28.738 -0.042 0.000 1.173 162 Q HN 0.518 nan 8.270 nan 0.000 0.527 163 Q N 0.369 120.144 119.800 -0.042 0.000 2.234 163 Q HA -0.203 4.137 4.340 -0.000 0.000 0.206 163 Q C 1.763 177.752 176.000 -0.018 0.000 0.980 163 Q CA 1.712 57.498 55.803 -0.028 0.000 0.869 163 Q CB 0.055 28.778 28.738 -0.025 0.000 0.912 163 Q HN 0.636 nan 8.270 nan 0.000 0.436 164 S N -0.317 115.371 115.700 -0.020 0.000 2.446 164 S HA -0.031 4.439 4.470 -0.000 0.000 0.225 164 S C 1.009 175.602 174.600 -0.012 0.000 1.016 164 S CA 0.424 58.618 58.200 -0.011 0.000 0.943 164 S CB 0.063 63.261 63.200 -0.005 0.000 0.786 164 S HN 0.427 nan 8.310 nan 0.000 0.508 165 E N 0.605 120.785 120.200 -0.032 0.000 2.463 165 E HA 0.069 4.419 4.350 -0.000 0.000 0.191 165 E C 1.006 177.568 176.600 -0.063 0.000 1.083 165 E CA -0.004 56.365 56.400 -0.052 0.000 0.872 165 E CB 0.334 29.964 29.700 -0.116 0.000 0.966 165 E HN 0.356 nan 8.360 nan 0.000 0.491 166 V N 0.418 120.314 119.914 -0.031 0.000 3.506 166 V HA -0.040 4.080 4.120 -0.000 0.000 0.263 166 V C 1.485 177.590 176.094 0.019 0.000 1.203 166 V CA 0.945 63.239 62.300 -0.009 0.000 1.133 166 V CB -0.037 31.820 31.823 0.057 0.000 0.802 166 V HN 0.339 nan 8.190 nan 0.000 0.459 167 L N -1.378 119.858 121.223 0.021 0.000 2.920 167 L HA 0.465 4.805 4.340 -0.000 0.000 0.257 167 L C 1.896 178.774 176.870 0.013 0.000 1.150 167 L CA 0.659 55.520 54.840 0.034 0.000 0.959 167 L CB -0.023 42.064 42.059 0.046 0.000 1.321 167 L HN 0.222 nan 8.230 nan 0.000 0.555 168 A N 0.201 123.024 122.820 0.004 0.000 2.179 168 A HA 0.246 4.566 4.320 -0.000 0.000 0.224 168 A C 1.190 178.780 177.584 0.010 0.000 1.759 168 A CA 0.200 52.243 52.037 0.011 0.000 0.688 168 A CB -0.477 18.536 19.000 0.020 0.000 1.342 168 A HN 0.167 nan 8.150 nan 0.000 0.543 169 S N -0.115 115.595 115.700 0.017 0.000 2.559 169 S HA 0.270 4.740 4.470 -0.000 0.000 0.282 169 S C 0.143 174.747 174.600 0.007 0.000 1.336 169 S CA -0.331 57.888 58.200 0.031 0.000 1.037 169 S CB 0.507 63.730 63.200 0.038 0.000 0.853 169 S HN 0.360 nan 8.310 nan 0.000 0.523 170 V N 2.509 122.437 119.914 0.023 0.000 2.637 170 V HA 0.348 4.468 4.120 -0.000 0.000 0.296 170 V C 1.355 177.466 176.094 0.028 0.000 1.046 170 V CA 0.786 63.097 62.300 0.017 0.000 1.066 170 V CB 0.904 32.741 31.823 0.023 0.000 0.968 170 V HN 1.118 nan 8.190 nan 0.000 0.483 171 G N 2.396 111.220 108.800 0.040 0.000 2.853 171 G HA2 0.627 4.587 3.960 -0.000 0.000 0.202 171 G HA3 0.627 4.587 3.960 -0.000 0.000 0.202 171 G C 0.354 175.397 174.900 0.239 0.000 1.118 171 G CA 0.561 45.740 45.100 0.132 0.000 0.831 171 G HN 1.188 nan 8.290 nan 0.000 0.613 172 G N -1.218 107.646 108.800 0.106 0.000 2.430 172 G HA2 0.470 4.430 3.960 -0.000 0.000 0.300 172 G HA3 0.470 4.430 3.960 -0.000 0.000 0.300 172 G C -1.828 173.061 174.900 -0.019 0.000 1.330 172 G CA -0.070 45.027 45.100 -0.005 0.000 0.813 172 G HN 0.493 nan 8.290 nan 0.000 0.487 173 S N -0.175 115.508 115.700 -0.028 0.000 2.571 173 S HA 0.612 5.082 4.470 -0.000 0.000 0.284 173 S C -0.544 174.073 174.600 0.029 0.000 1.128 173 S CA -0.480 57.729 58.200 0.015 0.000 0.970 173 S CB 1.557 64.785 63.200 0.046 0.000 1.039 173 S HN 0.742 nan 8.310 nan 0.000 0.485 174 M N 5.127 124.745 119.600 0.031 0.000 2.072 174 M HA 0.506 4.986 4.480 -0.000 0.000 0.331 174 M C -1.681 174.656 176.300 0.062 0.000 1.004 174 M CA -0.635 54.693 55.300 0.045 0.000 0.952 174 M CB 0.238 32.839 32.600 0.001 0.000 1.511 174 M HN 0.417 nan 8.290 nan 0.000 0.422 175 I N 7.166 127.784 120.570 0.080 0.000 2.306 175 I HA 0.293 4.463 4.170 -0.000 0.000 0.288 175 I C -0.189 175.913 176.117 -0.025 0.000 1.036 175 I CA -0.445 60.844 61.300 -0.018 0.000 1.221 175 I CB 0.406 38.383 38.000 -0.038 0.000 1.385 175 I HN 0.738 nan 8.210 nan 0.000 0.472 176 I N 5.566 126.117 120.570 -0.032 0.000 2.337 176 I HA 0.299 4.469 4.170 -0.000 0.000 0.291 176 I C 1.280 177.387 176.117 -0.016 0.000 1.046 176 I CA 0.119 61.463 61.300 0.074 0.000 1.324 176 I CB 0.868 38.933 38.000 0.108 0.000 1.409 176 I HN 0.874 nan 8.210 nan 0.000 0.494 177 G N 4.215 113.071 108.800 0.093 0.000 2.159 177 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.256 177 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.256 177 G C 0.253 175.126 174.900 -0.046 0.000 0.977 177 G CA -0.075 45.062 45.100 0.061 0.000 0.652 177 G HN 1.054 nan 8.290 nan 0.000 0.531 178 G N -1.276 107.367 108.800 -0.261 0.000 2.721 178 G HA2 0.689 4.649 3.960 -0.000 0.000 0.296 178 G HA3 0.689 4.649 3.960 -0.000 0.000 0.296 178 G C -1.371 173.481 174.900 -0.081 0.000 1.383 178 G CA -0.745 44.195 45.100 -0.267 0.000 0.788 178 G HN 0.702 nan 8.290 nan 0.000 0.500 179 I N 1.181 121.923 120.570 0.287 0.000 2.468 179 I HA 0.238 4.408 4.170 -0.000 0.000 0.284 179 I C -1.197 175.260 176.117 0.567 0.000 1.038 179 I CA -0.569 60.965 61.300 0.389 0.000 1.083 179 I CB 2.098 40.279 38.000 0.302 0.000 1.223 179 I HN 0.354 nan 8.210 nan 0.000 0.443 180 D N 5.569 126.282 120.400 0.522 0.000 2.339 180 D HA 0.042 4.682 4.640 -0.000 0.000 0.241 180 D C 1.064 177.491 176.300 0.212 0.000 1.183 180 D CA -0.059 54.179 54.000 0.398 0.000 0.859 180 D CB 0.880 41.863 40.800 0.304 0.000 1.067 180 D HN 0.562 nan 8.370 nan 0.000 0.484 181 H N 2.353 121.496 119.070 0.121 0.000 2.518 181 H HA -0.117 4.439 4.556 -0.000 0.000 0.289 181 H C 1.692 176.848 175.328 -0.287 0.000 1.051 181 H CA 1.379 57.363 56.048 -0.107 0.000 1.280 181 H CB 0.572 30.278 29.762 -0.093 0.000 1.380 181 H HN 0.403 nan 8.280 nan 0.000 0.566 182 S N -0.491 115.189 115.700 -0.033 0.000 2.558 182 S HA 0.057 4.527 4.470 -0.000 0.000 0.217 182 S C 1.922 176.438 174.600 -0.141 0.000 0.975 182 S CA -0.143 58.008 58.200 -0.081 0.000 0.912 182 S CB -0.253 62.926 63.200 -0.035 0.000 0.776 182 S HN 0.307 nan 8.310 nan 0.000 0.526 183 L N 0.423 121.510 121.223 -0.227 0.000 2.558 183 L HA 0.303 4.643 4.340 -0.000 0.000 0.225 183 L C 0.562 177.285 176.870 -0.245 0.000 1.128 183 L CA -0.043 54.592 54.840 -0.342 0.000 0.868 183 L CB -0.353 41.266 42.059 -0.732 0.000 1.006 183 L HN 0.602 nan 8.230 nan 0.000 0.454 184 Y N -2.377 117.732 120.300 -0.319 0.000 2.829 184 Y HA 0.706 5.256 4.550 -0.000 0.000 0.322 184 Y C -0.415 175.442 175.900 -0.073 0.000 1.357 184 Y CA -1.420 56.590 58.100 -0.150 0.000 1.081 184 Y CB 0.976 39.382 38.460 -0.090 0.000 1.339 184 Y HN -0.133 nan 8.280 nan 0.000 0.469 185 T N -1.739 112.853 114.554 0.063 0.000 2.864 185 T HA 0.727 5.077 4.350 -0.000 0.000 0.299 185 T C 0.254 175.038 174.700 0.139 0.000 1.166 185 T CA -0.292 61.796 62.100 -0.019 0.000 1.007 185 T CB 1.039 69.924 68.868 0.028 0.000 1.219 185 T HN 2.456 nan 8.240 nan 0.000 0.506 186 G N 1.313 110.166 108.800 0.089 0.000 2.645 186 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.246 186 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.246 186 G C -0.022 174.988 174.900 0.184 0.000 1.322 186 G CA -0.159 45.020 45.100 0.132 0.000 0.898 186 G HN 1.300 nan 8.290 nan 0.000 0.573 187 S N -1.099 114.693 115.700 0.155 0.000 2.681 187 S HA 0.681 5.151 4.470 -0.000 0.000 0.270 187 S C 0.270 174.855 174.600 -0.026 0.000 1.209 187 S CA -0.364 57.866 58.200 0.050 0.000 0.988 187 S CB 1.189 64.342 63.200 -0.078 0.000 1.006 187 S HN 0.660 nan 8.310 nan 0.000 0.558 188 L N 1.466 122.537 121.223 -0.253 0.000 2.319 188 L HA 0.438 4.778 4.340 -0.000 0.000 0.281 188 L C -1.506 174.992 176.870 -0.621 0.000 1.005 188 L CA -0.336 54.246 54.840 -0.430 0.000 0.828 188 L CB 0.941 42.700 42.059 -0.499 0.000 1.227 188 L HN 0.649 nan 8.230 nan 0.000 0.415 189 W N 2.670 123.570 121.300 -0.666 0.000 2.469 189 W HA 0.480 5.140 4.660 -0.000 0.000 0.320 189 W C -0.566 175.531 176.519 -0.703 0.000 1.086 189 W CA -0.230 56.645 57.345 -0.783 0.000 1.211 189 W CB 0.924 29.460 29.460 -1.540 0.000 1.298 189 W HN 0.221 nan 8.180 nan 0.000 0.525 190 Y N 1.283 121.626 120.300 0.070 0.000 2.387 190 Y HA 0.552 5.102 4.550 -0.000 0.000 0.336 190 Y C 0.541 176.755 175.900 0.522 0.000 1.067 190 Y CA -0.857 57.387 58.100 0.240 0.000 1.114 190 Y CB 2.060 40.569 38.460 0.082 0.000 1.208 190 Y HN 0.168 nan 8.280 nan 0.000 0.458 191 T N 4.293 119.183 114.554 0.560 0.000 2.841 191 T HA 0.494 4.844 4.350 -0.000 0.000 0.283 191 T C -2.879 171.972 174.700 0.251 0.000 1.000 191 T CA -2.528 59.775 62.100 0.338 0.000 0.977 191 T CB 1.080 70.038 68.868 0.149 0.000 0.979 191 T HN 0.242 nan 8.240 nan 0.000 0.446 192 P HA 0.248 nan 4.420 nan 0.000 0.268 192 P C -0.571 176.821 177.300 0.153 0.000 1.205 192 P CA -0.115 63.073 63.100 0.147 0.000 0.771 192 P CB 0.309 32.073 31.700 0.107 0.000 0.858 193 I N 3.807 124.472 120.570 0.158 0.000 2.281 193 I HA 0.151 4.321 4.170 -0.000 0.000 0.293 193 I C 1.883 178.078 176.117 0.129 0.000 1.085 193 I CA -0.235 61.174 61.300 0.182 0.000 1.257 193 I CB 0.390 38.519 38.000 0.214 0.000 1.430 193 I HN 0.455 nan 8.210 nan 0.000 0.489 194 R N 5.201 125.788 120.500 0.144 0.000 2.177 194 R HA -0.053 4.287 4.340 -0.000 0.000 0.221 194 R C 1.096 177.444 176.300 0.080 0.000 1.110 194 R CA 1.459 57.627 56.100 0.115 0.000 0.875 194 R CB 0.186 30.576 30.300 0.150 0.000 0.810 194 R HN 0.502 nan 8.270 nan 0.000 0.437 195 R N 0.803 121.385 120.500 0.137 0.000 2.668 195 R HA 0.128 4.468 4.340 -0.000 0.000 0.279 195 R C -0.904 175.444 176.300 0.079 0.000 0.976 195 R CA -0.272 55.847 56.100 0.032 0.000 0.978 195 R CB 1.385 31.587 30.300 -0.163 0.000 1.133 195 R HN 0.315 nan 8.270 nan 0.000 0.484 196 E N 4.202 124.296 120.200 -0.176 0.000 1.964 196 E HA 0.047 4.397 4.350 -0.000 0.000 0.264 196 E C -0.176 176.271 176.600 -0.254 0.000 1.120 196 E CA -0.100 55.924 56.400 -0.627 0.000 1.061 196 E CB 0.268 29.468 29.700 -0.833 0.000 1.190 196 E HN 0.530 nan 8.360 nan 0.000 0.459 197 W N 1.211 122.371 121.300 -0.233 0.000 5.240 197 W HA 0.181 4.841 4.660 -0.000 0.000 0.175 197 W C -0.281 176.221 176.519 -0.028 0.000 1.922 197 W CA -0.104 57.214 57.345 -0.046 0.000 2.107 197 W CB -0.244 29.215 29.460 -0.001 0.000 0.882 197 W HN 0.017 nan 8.180 nan 0.000 1.029 198 Y N 0.058 120.153 120.300 -0.342 0.000 2.579 198 Y HA 0.440 4.990 4.550 -0.000 0.000 0.327 198 Y C -0.403 175.410 175.900 -0.145 0.000 1.222 198 Y CA -1.009 56.868 58.100 -0.371 0.000 1.337 198 Y CB 0.565 38.625 38.460 -0.666 0.000 1.453 198 Y HN -0.259 nan 8.280 nan 0.000 0.539 199 Y N 0.955 121.453 120.300 0.331 0.000 2.724 199 Y HA 0.142 4.691 4.550 -0.000 0.000 0.332 199 Y C 0.212 176.262 175.900 0.250 0.000 1.276 199 Y CA -0.386 57.926 58.100 0.353 0.000 1.597 199 Y CB -0.070 38.627 38.460 0.396 0.000 1.584 199 Y HN 0.366 nan 8.280 nan 0.000 0.478 200 E N 2.682 123.075 120.200 0.322 0.000 2.316 200 E HA 0.384 4.734 4.350 -0.000 0.000 0.275 200 E C -0.632 176.112 176.600 0.240 0.000 1.029 200 E CA -0.382 56.176 56.400 0.264 0.000 0.871 200 E CB 0.775 30.697 29.700 0.369 0.000 1.022 200 E HN 0.431 nan 8.360 nan 0.000 0.418 201 V N 1.630 121.654 119.914 0.183 0.000 3.164 201 V HA 0.635 4.755 4.120 -0.000 0.000 0.313 201 V C -0.250 175.900 176.094 0.095 0.000 1.188 201 V CA -1.044 61.337 62.300 0.135 0.000 1.058 201 V CB 1.617 33.507 31.823 0.112 0.000 1.110 201 V HN 0.561 nan 8.190 nan 0.000 0.453 202 I N 1.264 121.860 120.570 0.043 0.000 2.447 202 I HA 0.493 4.663 4.170 -0.000 0.000 0.287 202 I C -0.924 175.178 176.117 -0.025 0.000 1.023 202 I CA -0.381 60.941 61.300 0.037 0.000 1.083 202 I CB 1.896 39.924 38.000 0.047 0.000 1.245 202 I HN 0.484 nan 8.210 nan 0.000 0.434 203 I N 6.830 127.408 120.570 0.012 0.000 2.331 203 I HA 0.171 4.341 4.170 -0.000 0.000 0.292 203 I C 0.932 177.074 176.117 0.041 0.000 0.998 203 I CA -0.376 60.901 61.300 -0.038 0.000 1.267 203 I CB 1.624 39.600 38.000 -0.040 0.000 1.386 203 I HN 0.462 nan 8.210 nan 0.000 0.476 204 V N 2.919 122.819 119.914 -0.024 0.000 3.380 204 V HA 0.482 4.602 4.120 -0.000 0.000 0.307 204 V C 0.285 176.369 176.094 -0.017 0.000 1.434 204 V CA -0.094 62.228 62.300 0.036 0.000 1.075 204 V CB -0.181 31.638 31.823 -0.008 0.000 0.954 204 V HN 0.907 nan 8.190 nan 0.000 0.444 205 R N -0.380 120.007 120.500 -0.189 0.000 2.833 205 R HA 0.627 4.967 4.340 -0.000 0.000 0.259 205 R C -2.557 173.473 176.300 -0.451 0.000 1.047 205 R CA -0.292 55.608 56.100 -0.333 0.000 0.916 205 R CB 2.320 32.241 30.300 -0.631 0.000 1.259 205 R HN 0.070 nan 8.270 nan 0.000 0.482 206 V N 2.539 122.187 119.914 -0.443 0.000 2.733 206 V HA 0.489 4.609 4.120 -0.000 0.000 0.306 206 V C -0.843 175.193 176.094 -0.097 0.000 1.084 206 V CA -0.784 61.331 62.300 -0.308 0.000 0.905 206 V CB 2.069 33.578 31.823 -0.524 0.000 1.010 206 V HN 0.773 nan 8.190 nan 0.000 0.424 207 E N 4.144 124.344 120.200 -0.001 0.000 2.312 207 E HA 0.641 4.991 4.350 -0.000 0.000 0.267 207 E C -1.537 175.094 176.600 0.053 0.000 0.894 207 E CA -0.907 55.514 56.400 0.035 0.000 0.773 207 E CB 2.768 32.519 29.700 0.085 0.000 1.241 207 E HN 0.397 nan 8.360 nan 0.000 0.432 208 I N 3.056 123.661 120.570 0.059 0.000 2.466 208 I HA 0.218 4.388 4.170 -0.000 0.000 0.279 208 I C -0.294 175.877 176.117 0.090 0.000 1.033 208 I CA -0.686 60.665 61.300 0.085 0.000 1.123 208 I CB 0.350 38.391 38.000 0.067 0.000 1.237 208 I HN 0.593 nan 8.210 nan 0.000 0.460 209 N N 4.902 123.668 118.700 0.110 0.000 2.756 209 N HA -0.189 4.551 4.740 -0.000 0.000 0.248 209 N C 1.198 176.753 175.510 0.074 0.000 1.062 209 N CA 1.411 54.521 53.050 0.101 0.000 0.696 209 N CB -0.735 37.814 38.487 0.104 0.000 0.946 209 N HN 1.109 nan 8.380 nan 0.000 0.548 210 G N -0.970 107.873 108.800 0.071 0.000 2.320 210 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.242 210 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.242 210 G C 0.029 174.955 174.900 0.044 0.000 1.033 210 G CA 0.617 45.754 45.100 0.061 0.000 0.620 210 G HN 0.708 nan 8.290 nan 0.000 0.517 211 Q N 1.573 121.395 119.800 0.037 0.000 2.286 211 Q HA 0.400 4.740 4.340 -0.000 0.000 0.267 211 Q C -0.234 175.772 176.000 0.009 0.000 1.028 211 Q CA -0.295 55.520 55.803 0.019 0.000 0.901 211 Q CB 0.504 29.253 28.738 0.017 0.000 1.183 211 Q HN 0.288 nan 8.270 nan 0.000 0.392 212 D N 4.187 124.580 120.400 -0.011 0.000 2.412 212 D HA -0.087 4.553 4.640 -0.000 0.000 0.257 212 D C 0.510 176.811 176.300 0.001 0.000 1.217 212 D CA -0.008 53.974 54.000 -0.029 0.000 0.897 212 D CB 0.844 41.614 40.800 -0.051 0.000 1.132 212 D HN 0.616 nan 8.370 nan 0.000 0.493 213 L N 3.594 124.832 121.223 0.024 0.000 2.633 213 L HA -0.049 4.291 4.340 -0.000 0.000 0.235 213 L C 0.604 177.513 176.870 0.065 0.000 1.163 213 L CA 0.666 55.539 54.840 0.056 0.000 0.859 213 L CB -1.330 40.789 42.059 0.100 0.000 0.973 213 L HN 0.592 nan 8.230 nan 0.000 0.451 214 K N 0.440 120.872 120.400 0.052 0.000 5.587 214 K HA -0.217 4.103 4.320 -0.000 0.000 0.436 214 K C -0.870 175.738 176.600 0.013 0.000 1.020 214 K CA 1.102 57.405 56.287 0.026 0.000 1.212 214 K CB -0.620 31.878 32.500 -0.003 0.000 1.905 214 K HN 0.363 nan 8.250 nan 0.000 0.351 215 M N 1.650 121.255 119.600 0.007 0.000 2.534 215 M HA 0.156 4.636 4.480 -0.000 0.000 0.280 215 M C -0.926 175.259 176.300 -0.191 0.000 1.217 215 M CA -0.952 54.268 55.300 -0.134 0.000 0.893 215 M CB 1.858 34.292 32.600 -0.277 0.000 1.730 215 M HN 0.377 nan 8.290 nan 0.000 0.483 216 D N 1.947 122.220 120.400 -0.211 0.000 2.363 216 D HA 0.052 4.692 4.640 -0.000 0.000 0.263 216 D C 1.320 177.460 176.300 -0.267 0.000 1.258 216 D CA 0.002 53.902 54.000 -0.167 0.000 0.907 216 D CB 0.994 41.717 40.800 -0.129 0.000 1.107 216 D HN 0.907 nan 8.370 nan 0.000 0.495 217 c N 4.041 122.557 118.600 -0.140 0.000 2.396 217 c HA -0.163 4.407 4.570 -0.000 0.000 0.288 217 c C 2.103 176.155 174.090 -0.063 0.000 1.253 217 c CA 0.310 56.617 56.329 -0.037 0.000 1.834 217 c CB -0.787 41.807 42.510 0.139 0.000 2.035 217 c HN 0.638 nan 8.230 nan 0.000 0.514 218 K N 0.611 120.973 120.400 -0.062 0.000 2.360 218 K HA -0.093 4.227 4.320 -0.000 0.000 0.201 218 K C 2.119 178.696 176.600 -0.037 0.000 1.046 218 K CA 1.282 57.578 56.287 0.014 0.000 0.945 218 K CB -0.125 32.405 32.500 0.051 0.000 0.750 218 K HN 0.665 nan 8.250 nan 0.000 0.464 219 E N -0.363 119.703 120.200 -0.223 0.000 2.216 219 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 219 E C 1.524 178.043 176.600 -0.135 0.000 0.988 219 E CA 0.866 57.110 56.400 -0.260 0.000 0.834 219 E CB -0.058 29.395 29.700 -0.411 0.000 0.772 219 E HN 0.504 nan 8.360 nan 0.000 0.479 220 Y N 1.065 121.383 120.300 0.031 0.000 2.574 220 Y HA -0.032 4.518 4.550 -0.000 0.000 0.294 220 Y C 1.018 176.952 175.900 0.056 0.000 1.142 220 Y CA 0.267 58.390 58.100 0.037 0.000 1.314 220 Y CB 0.236 38.706 38.460 0.016 0.000 0.991 220 Y HN -0.005 nan 8.280 nan 0.000 0.555 221 N N -1.146 117.666 118.700 0.186 0.000 2.433 221 N HA -0.033 4.707 4.740 -0.000 0.000 0.270 221 N C -0.971 174.616 175.510 0.128 0.000 1.354 221 N CA -0.282 52.865 53.050 0.162 0.000 0.889 221 N CB -0.142 38.453 38.487 0.181 0.000 1.285 221 N HN 0.138 nan 8.380 nan 0.000 0.503 222 Y N 3.042 123.287 120.300 -0.091 0.000 2.783 222 Y HA 0.002 4.552 4.550 -0.000 0.000 0.359 222 Y C 1.002 176.743 175.900 -0.264 0.000 1.220 222 Y CA 0.598 58.535 58.100 -0.273 0.000 1.649 222 Y CB -0.479 37.855 38.460 -0.209 0.000 1.273 222 Y HN 0.281 nan 8.280 nan 0.000 0.506 223 D N 1.683 121.776 120.400 -0.512 0.000 3.434 223 D HA -0.186 4.454 4.640 -0.000 0.000 0.229 223 D C -0.793 175.572 176.300 0.108 0.000 0.796 223 D CA 1.863 55.703 54.000 -0.266 0.000 2.080 223 D CB -1.081 39.538 40.800 -0.302 0.000 1.232 223 D HN 0.619 nan 8.370 nan 0.000 0.579 224 K N -0.950 119.474 120.400 0.039 0.000 2.614 224 K HA 0.733 5.053 4.320 -0.000 0.000 0.293 224 K C -1.549 175.075 176.600 0.039 0.000 1.045 224 K CA -0.806 55.540 56.287 0.098 0.000 0.880 224 K CB 1.485 34.027 32.500 0.070 0.000 1.552 224 K HN 0.062 nan 8.250 nan 0.000 0.404 225 S N 0.780 116.515 115.700 0.059 0.000 2.733 225 S HA 0.559 5.028 4.470 -0.000 0.000 0.294 225 S C -0.823 173.807 174.600 0.051 0.000 1.149 225 S CA -0.826 57.405 58.200 0.051 0.000 1.034 225 S CB 0.330 63.580 63.200 0.083 0.000 1.015 225 S HN 0.548 nan 8.310 nan 0.000 0.486 226 I N 0.159 120.743 120.570 0.023 0.000 2.934 226 I HA 0.803 4.973 4.170 -0.000 0.000 0.306 226 I C -1.133 175.069 176.117 0.142 0.000 1.110 226 I CA -1.226 60.121 61.300 0.079 0.000 1.019 226 I CB 1.896 39.879 38.000 -0.028 0.000 1.227 226 I HN 0.208 nan 8.210 nan 0.000 0.434 227 V N 2.778 122.837 119.914 0.242 0.000 2.383 227 V HA 0.405 4.525 4.120 -0.000 0.000 0.275 227 V C -0.906 175.344 176.094 0.260 0.000 1.036 227 V CA 0.114 62.562 62.300 0.246 0.000 0.889 227 V CB 0.917 32.894 31.823 0.257 0.000 0.985 227 V HN 0.805 nan 8.190 nan 0.000 0.459 228 D N 2.710 123.221 120.400 0.184 0.000 2.479 228 D HA 0.232 4.872 4.640 -0.000 0.000 0.246 228 D C 0.934 177.298 176.300 0.105 0.000 1.336 228 D CA -0.119 53.970 54.000 0.148 0.000 0.967 228 D CB 1.858 42.731 40.800 0.121 0.000 1.275 228 D HN 0.454 nan 8.370 nan 0.000 0.577 229 S N 1.478 117.226 115.700 0.080 0.000 2.595 229 S HA 0.039 4.509 4.470 -0.000 0.000 0.235 229 S C 1.797 176.426 174.600 0.049 0.000 0.974 229 S CA 0.527 58.760 58.200 0.055 0.000 0.942 229 S CB 0.096 63.293 63.200 -0.005 0.000 0.766 229 S HN 0.455 nan 8.310 nan 0.000 0.536 230 G N 0.893 109.710 108.800 0.028 0.000 2.453 230 G HA2 0.134 4.094 3.960 -0.000 0.000 0.215 230 G HA3 0.134 4.094 3.960 -0.000 0.000 0.215 230 G C 0.487 175.399 174.900 0.019 0.000 1.147 230 G CA 0.298 45.394 45.100 -0.007 0.000 0.802 230 G HN 0.514 nan 8.290 nan 0.000 0.535 231 T N 0.797 115.379 114.554 0.046 0.000 2.882 231 T HA 0.398 4.748 4.350 -0.000 0.000 0.287 231 T C 1.317 176.054 174.700 0.062 0.000 0.992 231 T CA -0.136 61.994 62.100 0.049 0.000 1.076 231 T CB 1.815 70.713 68.868 0.050 0.000 0.961 231 T HN 0.007 nan 8.240 nan 0.000 0.490 232 T N 2.707 117.291 114.554 0.049 0.000 2.894 232 T HA 0.037 4.387 4.350 -0.000 0.000 0.258 232 T C 1.028 175.752 174.700 0.039 0.000 1.043 232 T CA 0.523 62.654 62.100 0.051 0.000 1.141 232 T CB -0.055 68.831 68.868 0.030 0.000 0.873 232 T HN 0.389 nan 8.240 nan 0.000 0.449 233 N N 0.629 119.338 118.700 0.016 0.000 2.379 233 N HA 0.402 5.142 4.740 -0.000 0.000 0.260 233 N C -0.883 174.631 175.510 0.007 0.000 1.254 233 N CA -0.534 52.510 53.050 -0.011 0.000 0.958 233 N CB 0.436 38.893 38.487 -0.050 0.000 1.208 233 N HN 0.141 nan 8.380 nan 0.000 0.532 234 L N 1.159 122.376 121.223 -0.010 0.000 2.272 234 L HA 0.437 4.776 4.340 -0.000 0.000 0.289 234 L C -0.660 176.208 176.870 -0.003 0.000 1.032 234 L CA -0.675 54.176 54.840 0.019 0.000 0.810 234 L CB 0.374 42.454 42.059 0.034 0.000 1.205 234 L HN 0.299 nan 8.230 nan 0.000 0.422 235 R N 6.339 126.843 120.500 0.007 0.000 2.346 235 R HA 0.639 4.979 4.340 -0.000 0.000 0.311 235 R C -1.107 175.204 176.300 0.019 0.000 0.983 235 R CA -0.544 55.544 56.100 -0.019 0.000 0.880 235 R CB 1.532 31.818 30.300 -0.023 0.000 1.100 235 R HN 0.647 nan 8.270 nan 0.000 0.453 236 L N 3.947 125.182 121.223 0.020 0.000 2.401 236 L HA 0.496 4.836 4.340 -0.000 0.000 0.266 236 L C -2.320 174.613 176.870 0.105 0.000 0.991 236 L CA -2.449 52.458 54.840 0.112 0.000 0.818 236 L CB 2.643 44.844 42.059 0.236 0.000 1.321 236 L HN 0.217 nan 8.230 nan 0.000 0.413 237 P HA -0.017 nan 4.420 nan 0.000 0.267 237 P C 0.245 177.657 177.300 0.188 0.000 1.200 237 P CA -0.222 62.969 63.100 0.151 0.000 0.772 237 P CB 0.643 32.459 31.700 0.193 0.000 0.855 238 K N 4.463 124.961 120.400 0.164 0.000 2.032 238 K HA -0.261 4.059 4.320 -0.000 0.000 0.218 238 K C 1.442 178.158 176.600 0.195 0.000 1.054 238 K CA 2.160 58.572 56.287 0.208 0.000 0.941 238 K CB -0.529 32.056 32.500 0.140 0.000 0.720 238 K HN 0.306 nan 8.250 nan 0.000 0.449 239 K N -0.017 120.435 120.400 0.087 0.000 1.980 239 K HA -0.173 4.147 4.320 -0.000 0.000 0.223 239 K C 2.177 178.812 176.600 0.059 0.000 1.052 239 K CA 2.190 58.489 56.287 0.021 0.000 0.974 239 K CB -0.488 31.964 32.500 -0.079 0.000 0.734 239 K HN 0.021 nan 8.250 nan 0.000 0.447 240 V N 1.300 121.260 119.914 0.077 0.000 2.278 240 V HA -0.293 3.827 4.120 -0.000 0.000 0.251 240 V C 2.106 178.310 176.094 0.184 0.000 1.062 240 V CA 2.187 64.573 62.300 0.143 0.000 1.038 240 V CB -0.670 31.288 31.823 0.226 0.000 0.646 240 V HN 0.323 nan 8.190 nan 0.000 0.447 241 F N 1.447 121.439 119.950 0.071 0.000 2.095 241 F HA -0.174 4.353 4.527 -0.000 0.000 0.298 241 F C 2.472 178.308 175.800 0.060 0.000 1.104 241 F CA 2.066 60.111 58.000 0.075 0.000 1.232 241 F CB -0.368 38.678 39.000 0.077 0.000 0.987 241 F HN 0.132 nan 8.300 nan 0.000 0.475 242 E N 0.698 120.856 120.200 -0.070 0.000 2.077 242 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 242 E C 2.382 178.864 176.600 -0.196 0.000 0.989 242 E CA 1.253 57.526 56.400 -0.212 0.000 0.800 242 E CB -0.980 28.696 29.700 -0.039 0.000 0.746 242 E HN 0.504 nan 8.360 nan 0.000 0.452 243 A N 0.840 123.605 122.820 -0.091 0.000 2.121 243 A HA 0.059 4.379 4.320 -0.000 0.000 0.218 243 A C 2.241 179.777 177.584 -0.080 0.000 1.154 243 A CA 1.542 53.539 52.037 -0.066 0.000 0.679 243 A CB -0.197 18.799 19.000 -0.007 0.000 0.795 243 A HN 0.238 nan 8.150 nan 0.000 0.458 244 A N -0.702 122.055 122.820 -0.105 0.000 1.943 244 A HA 0.199 4.519 4.320 -0.000 0.000 0.213 244 A C 2.045 179.514 177.584 -0.191 0.000 1.181 244 A CA 1.154 53.139 52.037 -0.086 0.000 0.653 244 A CB -0.555 18.444 19.000 -0.000 0.000 0.833 244 A HN 0.338 nan 8.150 nan 0.000 0.451 245 V N 1.087 120.783 119.914 -0.363 0.000 2.490 245 V HA -0.225 3.895 4.120 -0.000 0.000 0.250 245 V C 2.362 178.157 176.094 -0.499 0.000 1.061 245 V CA 2.001 63.997 62.300 -0.506 0.000 1.064 245 V CB -0.718 30.718 31.823 -0.645 0.000 0.670 245 V HN 0.410 nan 8.190 nan 0.000 0.461 246 K N 0.445 120.644 120.400 -0.334 0.000 2.001 246 K HA -0.077 4.243 4.320 -0.000 0.000 0.208 246 K C 2.479 178.949 176.600 -0.216 0.000 1.048 246 K CA 1.724 57.854 56.287 -0.262 0.000 0.932 246 K CB -1.176 31.221 32.500 -0.171 0.000 0.715 246 K HN 0.430 nan 8.250 nan 0.000 0.437 247 S N 1.068 116.675 115.700 -0.154 0.000 2.359 247 S HA -0.099 4.371 4.470 -0.000 0.000 0.224 247 S C 2.117 176.668 174.600 -0.083 0.000 1.035 247 S CA 1.015 59.161 58.200 -0.090 0.000 1.018 247 S CB -0.291 62.882 63.200 -0.044 0.000 0.876 247 S HN 0.256 nan 8.310 nan 0.000 0.448 248 I N 0.949 121.448 120.570 -0.119 0.000 2.286 248 I HA -0.182 3.988 4.170 -0.000 0.000 0.248 248 I C 2.636 178.685 176.117 -0.114 0.000 1.115 248 I CA 1.298 62.567 61.300 -0.051 0.000 1.392 248 I CB -0.290 37.680 38.000 -0.051 0.000 1.065 248 I HN 0.283 nan 8.210 nan 0.000 0.418 249 K N 0.776 120.938 120.400 -0.396 0.000 2.097 249 K HA -0.103 4.217 4.320 -0.000 0.000 0.205 249 K C 2.292 178.820 176.600 -0.121 0.000 1.050 249 K CA 1.359 57.436 56.287 -0.351 0.000 0.938 249 K CB -0.192 31.979 32.500 -0.548 0.000 0.718 249 K HN 0.300 nan 8.250 nan 0.000 0.442 250 A N 1.434 124.181 122.820 -0.121 0.000 1.902 250 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 250 A C 2.331 179.900 177.584 -0.024 0.000 1.181 250 A CA 1.870 53.866 52.037 -0.069 0.000 0.623 250 A CB -0.595 18.365 19.000 -0.066 0.000 0.818 250 A HN 0.336 nan 8.150 nan 0.000 0.443 251 A N 0.168 122.994 122.820 0.010 0.000 1.930 251 A HA -0.025 4.295 4.320 -0.000 0.000 0.217 251 A C 2.299 179.915 177.584 0.054 0.000 1.175 251 A CA 1.989 54.056 52.037 0.050 0.000 0.627 251 A CB -0.740 18.323 19.000 0.105 0.000 0.815 251 A HN 0.932 nan 8.150 nan 0.000 0.443 252 S N -0.775 114.982 115.700 0.096 0.000 2.593 252 S HA 0.014 4.484 4.470 -0.000 0.000 0.217 252 S C 1.653 176.232 174.600 -0.035 0.000 0.966 252 S CA 0.840 59.082 58.200 0.069 0.000 0.914 252 S CB -0.298 63.130 63.200 0.379 0.000 0.776 252 S HN 0.525 nan 8.310 nan 0.000 0.523 253 S N 2.771 118.448 115.700 -0.039 0.000 2.429 253 S HA -0.352 4.118 4.470 -0.000 0.000 0.251 253 S C 2.236 176.766 174.600 -0.115 0.000 1.104 253 S CA 2.968 61.121 58.200 -0.077 0.000 1.130 253 S CB -1.698 61.466 63.200 -0.059 0.000 1.000 253 S HN 0.929 nan 8.310 nan 0.000 0.449 254 T N -0.183 114.306 114.554 -0.109 0.000 2.594 254 T HA -0.205 4.145 4.350 -0.000 0.000 0.266 254 T C 0.749 175.358 174.700 -0.152 0.000 1.070 254 T CA 1.817 63.849 62.100 -0.114 0.000 1.166 254 T CB -0.631 68.173 68.868 -0.107 0.000 0.862 254 T HN 0.699 nan 8.240 nan 0.000 0.436 255 E N 0.355 120.419 120.200 -0.226 0.000 2.227 255 E HA 0.486 4.836 4.350 -0.000 0.000 0.268 255 E C -0.611 175.622 176.600 -0.611 0.000 0.990 255 E CA -1.004 55.194 56.400 -0.336 0.000 0.856 255 E CB 0.999 30.554 29.700 -0.241 0.000 1.159 255 E HN 0.153 nan 8.360 nan 0.000 0.401 256 K N 1.554 121.572 120.400 -0.635 0.000 2.259 256 K HA 0.489 4.809 4.320 -0.000 0.000 0.252 256 K C -1.054 175.137 176.600 -0.682 0.000 0.936 256 K CA -0.476 55.471 56.287 -0.567 0.000 0.810 256 K CB 1.107 33.470 32.500 -0.228 0.000 1.143 256 K HN 0.393 nan 8.250 nan 0.000 0.427 257 F N 1.410 121.392 119.950 0.053 0.000 2.561 257 F HA 0.388 4.915 4.527 -0.000 0.000 0.321 257 F C -1.770 174.053 175.800 0.038 0.000 1.065 257 F CA -2.403 55.539 58.000 -0.097 0.000 0.934 257 F CB 1.562 40.311 39.000 -0.419 0.000 1.215 257 F HN 0.228 nan 8.300 nan 0.000 0.471 258 P HA 0.055 nan 4.420 nan 0.000 0.265 258 P C -0.244 177.204 177.300 0.247 0.000 1.193 258 P CA 0.119 63.314 63.100 0.159 0.000 0.765 258 P CB 0.565 32.323 31.700 0.097 0.000 0.823 259 D N 1.793 122.336 120.400 0.238 0.000 2.389 259 D HA -0.059 4.581 4.640 -0.000 0.000 0.221 259 D C 1.827 178.279 176.300 0.253 0.000 0.974 259 D CA 1.123 55.300 54.000 0.295 0.000 0.923 259 D CB -0.431 40.489 40.800 0.201 0.000 0.892 259 D HN 0.528 nan 8.370 nan 0.000 0.518 260 G N -1.157 107.755 108.800 0.188 0.000 3.141 260 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.218 260 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.218 260 G C 0.866 175.841 174.900 0.127 0.000 1.170 260 G CA -0.337 44.848 45.100 0.142 0.000 0.769 260 G HN 0.219 nan 8.290 nan 0.000 0.546 261 F N -0.230 119.670 119.950 -0.084 0.000 2.243 261 F HA 0.238 4.765 4.527 -0.000 0.000 0.287 261 F C 1.616 177.220 175.800 -0.326 0.000 1.067 261 F CA 0.095 57.909 58.000 -0.310 0.000 1.304 261 F CB -0.025 38.609 39.000 -0.609 0.000 1.087 261 F HN 0.167 nan 8.300 nan 0.000 0.513 262 W N 1.294 122.569 121.300 -0.042 0.000 2.982 262 W HA 0.088 4.748 4.660 -0.000 0.000 0.239 262 W C 1.035 177.668 176.519 0.190 0.000 1.303 262 W CA 0.251 57.482 57.345 -0.190 0.000 1.448 262 W CB -0.307 29.069 29.460 -0.140 0.000 1.133 262 W HN 0.108 nan 8.180 nan 0.000 0.698 263 L N -2.148 119.216 121.223 0.235 0.000 3.414 263 L HA 0.582 4.922 4.340 -0.000 0.000 0.172 263 L C 2.036 178.972 176.870 0.110 0.000 1.268 263 L CA 0.860 55.836 54.840 0.226 0.000 0.871 263 L CB -0.461 41.709 42.059 0.185 0.000 1.470 263 L HN -0.053 nan 8.230 nan 0.000 0.600 264 G N -1.407 107.427 108.800 0.057 0.000 3.976 264 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.178 264 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.178 264 G C 0.728 175.645 174.900 0.029 0.000 0.859 264 G CA 0.222 45.334 45.100 0.020 0.000 0.895 264 G HN 0.209 nan 8.290 nan 0.000 0.390 265 E N 0.403 120.631 120.200 0.047 0.000 2.246 265 E HA -0.256 4.094 4.350 -0.000 0.000 0.232 265 E C 1.278 177.900 176.600 0.037 0.000 1.087 265 E CA 1.982 58.410 56.400 0.045 0.000 0.964 265 E CB -0.280 29.454 29.700 0.058 0.000 0.827 265 E HN 0.709 nan 8.360 nan 0.000 0.476 266 Q N 0.307 120.134 119.800 0.046 0.000 2.451 266 Q HA 0.534 4.874 4.340 -0.000 0.000 0.281 266 Q C -0.930 175.108 176.000 0.064 0.000 1.099 266 Q CA -0.994 54.834 55.803 0.042 0.000 0.806 266 Q CB 1.860 30.621 28.738 0.039 0.000 1.419 266 Q HN 0.125 nan 8.270 nan 0.000 0.427 267 L N -1.326 119.929 121.223 0.053 0.000 2.303 267 L HA 0.830 5.170 4.340 -0.000 0.000 0.266 267 L C -0.481 176.400 176.870 0.019 0.000 1.011 267 L CA -1.119 53.779 54.840 0.096 0.000 0.818 267 L CB 1.234 43.324 42.059 0.053 0.000 1.326 267 L HN 0.395 nan 8.230 nan 0.000 0.435 268 V N -0.164 119.736 119.914 -0.023 0.000 2.612 268 V HA 0.640 4.760 4.120 -0.000 0.000 0.301 268 V C -0.093 175.811 176.094 -0.318 0.000 1.046 268 V CA -0.183 61.900 62.300 -0.362 0.000 0.946 268 V CB 1.502 32.768 31.823 -0.929 0.000 1.003 268 V HN 1.048 nan 8.190 nan 0.000 0.459 269 c N 2.573 120.920 118.600 -0.422 0.000 2.973 269 c HA 0.768 5.338 4.570 -0.000 0.000 0.329 269 c C -0.732 173.143 174.090 -0.357 0.000 1.327 269 c CA -0.780 55.403 56.329 -0.243 0.000 1.632 269 c CB 2.076 44.501 42.510 -0.141 0.000 2.098 269 c HN 0.891 nan 8.230 nan 0.000 0.469 270 W N -0.580 120.736 121.300 0.027 0.000 2.961 270 W HA 0.371 5.031 4.660 -0.000 0.000 0.368 270 W C -1.403 175.128 176.519 0.020 0.000 1.213 270 W CA -0.373 56.992 57.345 0.032 0.000 1.173 270 W CB 0.830 30.316 29.460 0.044 0.000 1.487 270 W HN 0.568 nan 8.180 nan 0.000 0.585 271 Q N 1.095 121.082 119.800 0.311 0.000 2.288 271 Q HA 0.520 4.860 4.340 -0.000 0.000 0.254 271 Q C 0.261 176.349 176.000 0.146 0.000 0.932 271 Q CA -0.269 55.635 55.803 0.167 0.000 0.902 271 Q CB 0.589 29.405 28.738 0.130 0.000 1.203 271 Q HN 0.337 nan 8.270 nan 0.000 0.415 272 A N 2.216 125.100 122.820 0.106 0.000 2.615 272 A HA 0.276 4.596 4.320 -0.000 0.000 0.240 272 A C 1.444 179.085 177.584 0.095 0.000 1.003 272 A CA 0.853 52.947 52.037 0.095 0.000 0.778 272 A CB -0.971 18.066 19.000 0.061 0.000 0.907 272 A HN 1.378 nan 8.150 nan 0.000 0.507 273 G N 1.870 110.741 108.800 0.119 0.000 2.212 273 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.267 273 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.267 273 G C 0.816 175.766 174.900 0.083 0.000 1.002 273 G CA 1.669 46.840 45.100 0.118 0.000 0.729 273 G HN 2.362 nan 8.290 nan 0.000 0.517 274 T N -2.890 111.691 114.554 0.045 0.000 3.129 274 T HA 0.409 4.759 4.350 -0.000 0.000 0.267 274 T C 0.855 175.391 174.700 -0.273 0.000 1.018 274 T CA 0.776 62.850 62.100 -0.043 0.000 0.903 274 T CB 0.405 69.281 68.868 0.013 0.000 1.067 274 T HN 0.266 nan 8.240 nan 0.000 0.549 275 T N 5.934 120.253 114.554 -0.392 0.000 2.871 275 T HA 0.177 4.527 4.350 -0.000 0.000 0.296 275 T C -2.065 171.991 174.700 -1.073 0.000 0.998 275 T CA -0.542 60.937 62.100 -1.036 0.000 1.162 275 T CB 0.810 68.832 68.868 -1.411 0.000 0.947 275 T HN 0.242 nan 8.240 nan 0.000 0.536 276 P HA 0.111 nan 4.420 nan 0.000 0.218 276 P C 0.293 177.407 177.300 -0.310 0.000 1.793 276 P CA -0.346 62.405 63.100 -0.582 0.000 0.941 276 P CB -0.361 31.010 31.700 -0.548 0.000 1.919 277 W N 2.166 123.421 121.300 -0.076 0.000 2.290 277 W HA -0.313 4.347 4.660 -0.000 0.000 0.311 277 W C 2.113 178.699 176.519 0.112 0.000 1.238 277 W CA 1.715 59.106 57.345 0.078 0.000 1.255 277 W CB -1.759 27.709 29.460 0.013 0.000 1.145 277 W HN 0.289 nan 8.180 nan 0.000 0.506 278 N N 1.639 120.473 118.700 0.224 0.000 2.289 278 N HA -0.216 4.524 4.740 -0.000 0.000 0.184 278 N C 1.495 177.031 175.510 0.044 0.000 1.016 278 N CA 2.119 55.235 53.050 0.111 0.000 0.872 278 N CB -1.221 37.266 38.487 -0.001 0.000 0.973 278 N HN 0.448 nan 8.380 nan 0.000 0.433 279 I N -3.485 117.039 120.570 -0.077 0.000 2.493 279 I HA 0.072 4.242 4.170 -0.000 0.000 0.254 279 I C -0.275 175.734 176.117 -0.181 0.000 1.160 279 I CA 0.310 61.485 61.300 -0.209 0.000 1.445 279 I CB -0.365 37.394 38.000 -0.401 0.000 1.086 279 I HN -0.156 nan 8.210 nan 0.000 0.433 280 F N 3.391 123.470 119.950 0.215 0.000 2.375 280 F HA 0.527 5.054 4.527 -0.000 0.000 0.333 280 F C -1.926 174.054 175.800 0.301 0.000 1.104 280 F CA -2.820 55.382 58.000 0.335 0.000 1.149 280 F CB 0.082 39.345 39.000 0.439 0.000 1.190 280 F HN -0.103 nan 8.300 nan 0.000 0.533 281 P HA 0.319 nan 4.420 nan 0.000 0.280 281 P C -1.066 176.484 177.300 0.417 0.000 1.272 281 P CA -0.389 62.934 63.100 0.373 0.000 0.819 281 P CB 1.836 33.711 31.700 0.291 0.000 1.122 282 V N -1.222 118.860 119.914 0.280 0.000 2.617 282 V HA 0.551 4.671 4.120 -0.000 0.000 0.298 282 V C 0.102 176.340 176.094 0.240 0.000 1.048 282 V CA -0.761 61.686 62.300 0.245 0.000 0.964 282 V CB 0.677 32.587 31.823 0.145 0.000 1.004 282 V HN 0.291 nan 8.190 nan 0.000 0.466 283 I N 2.917 123.637 120.570 0.250 0.000 2.404 283 I HA 0.529 4.699 4.170 -0.000 0.000 0.293 283 I C -0.007 176.170 176.117 0.100 0.000 0.992 283 I CA -0.171 61.239 61.300 0.182 0.000 1.149 283 I CB 2.016 40.150 38.000 0.223 0.000 1.315 283 I HN 0.697 nan 8.210 nan 0.000 0.446 284 S N 6.918 122.641 115.700 0.038 0.000 2.659 284 S HA 0.562 5.032 4.470 -0.000 0.000 0.312 284 S C -0.468 174.073 174.600 -0.098 0.000 1.114 284 S CA -0.611 57.552 58.200 -0.061 0.000 1.063 284 S CB 1.074 64.205 63.200 -0.115 0.000 0.996 284 S HN 0.346 nan 8.310 nan 0.000 0.478 285 L N 3.713 124.831 121.223 -0.175 0.000 2.264 285 L HA 0.485 4.825 4.340 -0.000 0.000 0.289 285 L C -1.053 175.617 176.870 -0.334 0.000 1.044 285 L CA -0.750 53.967 54.840 -0.205 0.000 0.807 285 L CB 0.386 42.327 42.059 -0.197 0.000 1.192 285 L HN 0.586 nan 8.230 nan 0.000 0.425 286 Y N 3.961 124.024 120.300 -0.395 0.000 2.313 286 Y HA 0.484 5.034 4.550 -0.000 0.000 0.332 286 Y C 0.126 175.738 175.900 -0.480 0.000 1.071 286 Y CA -0.224 57.605 58.100 -0.451 0.000 1.169 286 Y CB 1.144 39.361 38.460 -0.405 0.000 1.192 286 Y HN 0.369 nan 8.280 nan 0.000 0.487 287 L N 4.299 125.160 121.223 -0.604 0.000 2.346 287 L HA 0.474 4.814 4.340 -0.000 0.000 0.274 287 L C -0.091 176.410 176.870 -0.614 0.000 1.007 287 L CA -1.035 53.405 54.840 -0.667 0.000 0.818 287 L CB 1.885 43.354 42.059 -0.983 0.000 1.284 287 L HN 0.591 nan 8.230 nan 0.000 0.424 288 M N 1.822 121.238 119.600 -0.306 0.000 2.252 288 M HA 0.161 4.641 4.480 -0.000 0.000 0.348 288 M C 0.629 176.860 176.300 -0.115 0.000 1.334 288 M CA 0.267 55.479 55.300 -0.147 0.000 1.071 288 M CB 0.658 33.232 32.600 -0.043 0.000 1.763 288 M HN 0.760 nan 8.290 nan 0.000 0.452 289 G N 3.352 112.167 108.800 0.025 0.000 2.621 289 G HA2 0.135 4.095 3.960 -0.000 0.000 0.271 289 G HA3 0.135 4.095 3.960 -0.000 0.000 0.271 289 G C 0.127 175.154 174.900 0.213 0.000 1.236 289 G CA -0.405 44.839 45.100 0.239 0.000 0.958 289 G HN 0.899 nan 8.290 nan 0.000 0.512 290 E N -1.630 118.728 120.200 0.262 0.000 2.442 290 E HA 0.060 4.410 4.350 -0.000 0.000 0.195 290 E C 0.224 176.902 176.600 0.130 0.000 1.030 290 E CA 0.008 56.513 56.400 0.175 0.000 0.869 290 E CB 0.485 30.282 29.700 0.162 0.000 0.857 290 E HN 0.074 nan 8.360 nan 0.000 0.505 291 V N 1.838 121.843 119.914 0.151 0.000 2.427 291 V HA 0.095 4.215 4.120 -0.000 0.000 0.286 291 V C 0.376 176.532 176.094 0.104 0.000 1.034 291 V CA -0.575 61.795 62.300 0.117 0.000 0.893 291 V CB 1.689 33.590 31.823 0.130 0.000 0.982 291 V HN 0.036 nan 8.190 nan 0.000 0.452 292 T N 4.319 118.918 114.554 0.076 0.000 2.946 292 T HA 0.086 4.436 4.350 -0.000 0.000 0.311 292 T C 0.673 175.414 174.700 0.068 0.000 1.063 292 T CA 0.415 62.553 62.100 0.064 0.000 1.139 292 T CB 0.066 68.963 68.868 0.048 0.000 0.994 292 T HN 0.860 nan 8.240 nan 0.000 0.547 293 Q N 0.968 120.805 119.800 0.063 0.000 2.468 293 Q HA -0.194 4.146 4.340 -0.000 0.000 0.289 293 Q C -0.454 175.598 176.000 0.086 0.000 1.299 293 Q CA 1.188 57.029 55.803 0.063 0.000 0.838 293 Q CB -1.680 27.089 28.738 0.052 0.000 1.195 293 Q HN 0.810 nan 8.270 nan 0.000 0.456 294 Q N -0.216 119.648 119.800 0.106 0.000 2.340 294 Q HA 0.742 5.082 4.340 -0.000 0.000 0.276 294 Q C -1.268 174.827 176.000 0.157 0.000 1.048 294 Q CA 0.065 55.959 55.803 0.151 0.000 0.832 294 Q CB 1.913 30.759 28.738 0.179 0.000 1.373 294 Q HN 0.407 nan 8.270 nan 0.000 0.409 295 S N 1.047 116.865 115.700 0.196 0.000 2.671 295 S HA 0.902 5.372 4.470 -0.000 0.000 0.277 295 S C -1.220 173.511 174.600 0.218 0.000 1.165 295 S CA -0.675 57.592 58.200 0.111 0.000 0.822 295 S CB 1.502 64.731 63.200 0.049 0.000 1.150 295 S HN 0.577 nan 8.310 nan 0.000 0.479 296 F N -1.321 118.605 119.950 -0.040 0.000 2.686 296 F HA 0.895 5.422 4.527 -0.000 0.000 0.311 296 F C -0.913 174.559 175.800 -0.548 0.000 1.128 296 F CA -1.188 56.637 58.000 -0.292 0.000 0.946 296 F CB 1.095 39.762 39.000 -0.555 0.000 1.336 296 F HN 1.008 nan 8.300 nan 0.000 0.457 297 R N 1.894 122.132 120.500 -0.437 0.000 2.888 297 R HA 0.924 5.264 4.340 -0.000 0.000 0.266 297 R C -1.453 174.596 176.300 -0.417 0.000 1.020 297 R CA -1.031 54.626 56.100 -0.739 0.000 0.963 297 R CB 2.631 32.003 30.300 -1.547 0.000 1.197 297 R HN 0.974 nan 8.270 nan 0.000 0.481 298 I N -1.557 118.760 120.570 -0.423 0.000 2.608 298 I HA 0.602 4.772 4.170 -0.000 0.000 0.295 298 I C -1.135 174.943 176.117 -0.066 0.000 1.049 298 I CA -0.825 60.271 61.300 -0.339 0.000 1.063 298 I CB 2.818 40.353 38.000 -0.776 0.000 1.248 298 I HN 0.549 nan 8.210 nan 0.000 0.424 299 T N 6.455 121.111 114.554 0.170 0.000 2.848 299 T HA 0.654 5.004 4.350 -0.000 0.000 0.285 299 T C -0.226 174.582 174.700 0.180 0.000 0.995 299 T CA -0.456 61.729 62.100 0.142 0.000 0.970 299 T CB 1.621 70.515 68.868 0.042 0.000 0.976 299 T HN 0.661 nan 8.240 nan 0.000 0.441 300 I N 0.686 121.333 120.570 0.129 0.000 2.750 300 I HA 0.751 4.920 4.170 -0.000 0.000 0.308 300 I C -0.889 175.239 176.117 0.019 0.000 1.016 300 I CA -1.386 59.922 61.300 0.013 0.000 1.098 300 I CB 1.244 39.272 38.000 0.047 0.000 1.279 300 I HN 0.432 nan 8.210 nan 0.000 0.454 301 L N 3.020 124.190 121.223 -0.088 0.000 2.335 301 L HA 0.552 4.892 4.340 -0.000 0.000 0.268 301 L C -1.519 175.073 176.870 -0.463 0.000 1.016 301 L CA -1.730 53.028 54.840 -0.137 0.000 0.805 301 L CB 1.047 43.042 42.059 -0.106 0.000 1.311 301 L HN 0.428 nan 8.230 nan 0.000 0.456 302 P HA -0.179 nan 4.420 nan 0.000 0.218 302 P C 1.040 178.040 177.300 -0.499 0.000 1.148 302 P CA 1.256 63.684 63.100 -1.121 0.000 0.822 302 P CB 0.281 31.847 31.700 -0.223 0.000 0.784 303 Q N -0.489 119.104 119.800 -0.345 0.000 2.308 303 Q HA -0.206 4.134 4.340 -0.000 0.000 0.209 303 Q C 2.238 178.116 176.000 -0.204 0.000 0.985 303 Q CA 1.706 57.249 55.803 -0.433 0.000 0.881 303 Q CB -0.460 27.829 28.738 -0.749 0.000 0.917 303 Q HN 0.345 nan 8.270 nan 0.000 0.443 304 Q N -1.822 117.848 119.800 -0.216 0.000 2.226 304 Q HA -0.031 4.309 4.340 -0.000 0.000 0.199 304 Q C 0.937 176.939 176.000 0.004 0.000 0.945 304 Q CA 0.801 56.550 55.803 -0.090 0.000 0.861 304 Q CB 0.177 28.863 28.738 -0.087 0.000 0.953 304 Q HN 0.647 nan 8.270 nan 0.000 0.490 305 Y N -1.345 118.970 120.300 0.026 0.000 2.470 305 Y HA 0.439 4.989 4.550 -0.000 0.000 0.284 305 Y C -0.314 175.571 175.900 -0.025 0.000 1.188 305 Y CA -0.420 57.669 58.100 -0.019 0.000 1.269 305 Y CB -0.238 38.214 38.460 -0.014 0.000 1.094 305 Y HN -0.146 nan 8.280 nan 0.000 0.518 306 L N 2.608 123.951 121.223 0.200 0.000 2.457 306 L HA 0.413 4.753 4.340 -0.000 0.000 0.252 306 L C -0.064 176.940 176.870 0.223 0.000 1.132 306 L CA -0.548 54.411 54.840 0.199 0.000 0.938 306 L CB 0.967 43.056 42.059 0.050 0.000 1.246 306 L HN 0.057 nan 8.230 nan 0.000 0.476 307 R N 3.309 123.936 120.500 0.211 0.000 2.370 307 R HA 0.226 4.566 4.340 -0.000 0.000 0.309 307 R C -2.318 174.177 176.300 0.326 0.000 1.059 307 R CA -1.264 54.967 56.100 0.218 0.000 0.981 307 R CB 0.743 31.108 30.300 0.108 0.000 0.972 307 R HN 0.142 nan 8.270 nan 0.000 0.437 308 P HA -0.057 nan 4.420 nan 0.000 0.267 308 P C -0.876 176.453 177.300 0.049 0.000 1.205 308 P CA -0.064 63.183 63.100 0.244 0.000 0.765 308 P CB 0.918 32.785 31.700 0.278 0.000 0.828 309 V N 0.084 119.966 119.914 -0.053 0.000 3.164 309 V HA 0.679 4.799 4.120 -0.000 0.000 0.313 309 V C -0.307 175.746 176.094 -0.069 0.000 1.188 309 V CA -1.313 60.960 62.300 -0.045 0.000 1.058 309 V CB 1.869 33.675 31.823 -0.027 0.000 1.110 309 V HN 0.226 nan 8.190 nan 0.000 0.453 310 E N 1.265 121.436 120.200 -0.049 0.000 2.152 310 E HA 0.263 4.613 4.350 -0.000 0.000 0.285 310 E C -0.514 176.060 176.600 -0.043 0.000 1.043 310 E CA -0.061 56.315 56.400 -0.041 0.000 0.839 310 E CB 0.686 30.366 29.700 -0.032 0.000 1.069 310 E HN 0.852 nan 8.360 nan 0.000 0.399 311 D N 3.303 123.675 120.400 -0.047 0.000 2.472 311 D HA -0.062 4.578 4.640 -0.000 0.000 0.248 311 D C 0.756 177.038 176.300 -0.030 0.000 1.174 311 D CA 0.114 54.087 54.000 -0.045 0.000 0.883 311 D CB 0.907 41.682 40.800 -0.041 0.000 1.149 311 D HN 0.309 nan 8.370 nan 0.000 0.488 312 V N 4.130 124.026 119.914 -0.029 0.000 2.490 312 V HA -0.216 3.904 4.120 -0.000 0.000 0.250 312 V C 2.188 178.271 176.094 -0.017 0.000 1.061 312 V CA 2.038 64.326 62.300 -0.020 0.000 1.064 312 V CB -0.784 31.028 31.823 -0.018 0.000 0.670 312 V HN 0.758 nan 8.190 nan 0.000 0.461 313 A N -0.119 122.689 122.820 -0.020 0.000 2.235 313 A HA 0.038 4.358 4.320 -0.000 0.000 0.208 313 A C 1.809 179.387 177.584 -0.011 0.000 1.172 313 A CA 1.361 53.389 52.037 -0.015 0.000 0.786 313 A CB -0.741 18.248 19.000 -0.017 0.000 0.804 313 A HN 0.996 nan 8.150 nan 0.000 0.479 314 T N -2.579 111.968 114.554 -0.012 0.000 7.879 314 T HA -0.284 4.066 4.350 -0.000 0.000 0.329 314 T C 0.498 175.197 174.700 -0.003 0.000 1.790 314 T CA 1.226 63.322 62.100 -0.007 0.000 2.688 314 T CB -2.993 65.873 68.868 -0.004 0.000 2.624 314 T HN 1.699 nan 8.240 nan 0.000 1.233 315 S N 0.573 116.270 115.700 -0.005 0.000 2.545 315 S HA 0.434 4.903 4.470 -0.000 0.000 0.275 315 S C 0.122 174.724 174.600 0.004 0.000 1.299 315 S CA -0.933 57.267 58.200 0.000 0.000 1.048 315 S CB 1.038 64.238 63.200 -0.001 0.000 0.938 315 S HN 0.578 nan 8.310 nan 0.000 0.496 316 Q N 2.629 122.435 119.800 0.010 0.000 2.385 316 Q HA 0.090 4.430 4.340 -0.000 0.000 0.273 316 Q C -0.494 175.518 176.000 0.020 0.000 1.281 316 Q CA 0.754 56.566 55.803 0.015 0.000 0.952 316 Q CB -0.265 28.483 28.738 0.016 0.000 1.419 316 Q HN 0.631 nan 8.270 nan 0.000 0.472 317 D N 1.074 121.484 120.400 0.017 0.000 2.677 317 D HA 0.272 4.912 4.640 -0.000 0.000 0.298 317 D C -1.248 175.057 176.300 0.008 0.000 1.250 317 D CA -0.597 53.419 54.000 0.027 0.000 0.888 317 D CB 1.515 42.326 40.800 0.017 0.000 1.397 317 D HN 0.174 nan 8.370 nan 0.000 0.461 318 D N 0.649 121.065 120.400 0.026 0.000 2.453 318 D HA 0.380 5.020 4.640 -0.000 0.000 0.238 318 D C -0.528 175.603 176.300 -0.283 0.000 1.088 318 D CA -0.036 53.915 54.000 -0.082 0.000 0.854 318 D CB 0.855 41.742 40.800 0.146 0.000 1.076 318 D HN 0.183 nan 8.370 nan 0.000 0.533 319 c N 2.382 120.669 118.600 -0.521 0.000 2.399 319 c HA 0.744 5.314 4.570 -0.000 0.000 0.348 319 c C -0.632 172.957 174.090 -0.835 0.000 1.183 319 c CA -0.609 55.444 56.329 -0.459 0.000 2.023 319 c CB 0.176 42.562 42.510 -0.205 0.000 2.361 319 c HN 0.557 nan 8.230 nan 0.000 0.521 320 Y N -0.660 119.696 120.300 0.092 0.000 2.656 320 Y HA 0.507 5.057 4.550 -0.000 0.000 0.334 320 Y C -0.298 175.658 175.900 0.094 0.000 1.179 320 Y CA -1.024 57.144 58.100 0.113 0.000 1.050 320 Y CB 1.130 39.690 38.460 0.167 0.000 1.308 320 Y HN 0.406 nan 8.280 nan 0.000 0.456 321 K N 1.291 121.819 120.400 0.213 0.000 2.292 321 K HA 0.380 4.700 4.320 -0.000 0.000 0.257 321 K C -1.286 175.310 176.600 -0.006 0.000 0.940 321 K CA -0.894 55.434 56.287 0.068 0.000 0.811 321 K CB 1.955 34.468 32.500 0.020 0.000 1.120 321 K HN 0.546 nan 8.250 nan 0.000 0.428 322 F N 2.054 121.694 119.950 -0.517 0.000 2.607 322 F HA 0.011 4.538 4.527 -0.000 0.000 0.374 322 F C 0.520 176.194 175.800 -0.209 0.000 1.104 322 F CA 0.137 57.792 58.000 -0.576 0.000 1.296 322 F CB 0.597 38.868 39.000 -1.214 0.000 1.085 322 F HN 0.633 nan 8.300 nan 0.000 0.584 323 A N 7.693 130.168 122.820 -0.575 0.000 2.637 323 A HA 0.419 4.739 4.320 -0.000 0.000 0.293 323 A C -0.157 177.140 177.584 -0.479 0.000 1.216 323 A CA -0.319 51.492 52.037 -0.376 0.000 0.956 323 A CB -0.839 18.086 19.000 -0.125 0.000 1.174 323 A HN 0.585 nan 8.150 nan 0.000 0.525 324 I N 1.915 121.928 120.570 -0.928 0.000 2.382 324 I HA 0.338 4.508 4.170 -0.000 0.000 0.286 324 I C 0.076 176.137 176.117 -0.094 0.000 1.002 324 I CA -0.367 60.655 61.300 -0.464 0.000 1.135 324 I CB 1.893 39.632 38.000 -0.436 0.000 1.288 324 I HN 0.312 nan 8.210 nan 0.000 0.448 325 S N 5.129 120.753 115.700 -0.128 0.000 2.638 325 S HA 0.586 5.056 4.470 -0.000 0.000 0.302 325 S C -0.685 173.526 174.600 -0.648 0.000 1.096 325 S CA -0.916 57.087 58.200 -0.328 0.000 0.953 325 S CB 1.988 65.068 63.200 -0.199 0.000 1.107 325 S HN 0.634 nan 8.310 nan 0.000 0.503 326 Q N 0.542 119.685 119.800 -1.095 0.000 2.260 326 Q HA 0.683 5.023 4.340 -0.000 0.000 0.238 326 Q C -0.360 175.447 176.000 -0.321 0.000 0.948 326 Q CA -0.713 54.601 55.803 -0.814 0.000 0.895 326 Q CB 1.156 29.378 28.738 -0.860 0.000 1.218 326 Q HN 0.717 nan 8.270 nan 0.000 0.470 327 S N -0.136 115.464 115.700 -0.166 0.000 2.627 327 S HA 0.437 4.907 4.470 -0.000 0.000 0.283 327 S C -0.271 174.301 174.600 -0.047 0.000 1.127 327 S CA -0.151 57.995 58.200 -0.089 0.000 0.863 327 S CB 1.799 64.962 63.200 -0.062 0.000 1.121 327 S HN 0.780 nan 8.310 nan 0.000 0.479 328 S N 0.120 115.789 115.700 -0.052 0.000 2.629 328 S HA 0.171 4.641 4.470 -0.000 0.000 0.236 328 S C 0.731 175.268 174.600 -0.105 0.000 1.010 328 S CA 0.413 58.583 58.200 -0.050 0.000 0.981 328 S CB -0.203 62.973 63.200 -0.040 0.000 0.919 328 S HN 1.008 nan 8.310 nan 0.000 0.514 329 T N -1.767 112.726 114.554 -0.102 0.000 3.200 329 T HA 0.637 4.987 4.350 -0.000 0.000 0.284 329 T C 0.914 175.528 174.700 -0.142 0.000 1.009 329 T CA 0.093 62.116 62.100 -0.129 0.000 0.907 329 T CB 0.192 69.001 68.868 -0.098 0.000 1.120 329 T HN 1.228 nan 8.240 nan 0.000 0.534 330 G N 1.050 109.782 108.800 -0.113 0.000 2.466 330 G HA2 0.023 3.983 3.960 -0.000 0.000 0.316 330 G HA3 0.023 3.983 3.960 -0.000 0.000 0.316 330 G C -0.596 174.294 174.900 -0.018 0.000 1.270 330 G CA -0.628 44.432 45.100 -0.066 0.000 0.982 330 G HN 0.422 nan 8.290 nan 0.000 0.506 331 T N 0.152 114.714 114.554 0.013 0.000 2.856 331 T HA 0.533 4.883 4.350 -0.000 0.000 0.292 331 T C 0.071 174.777 174.700 0.010 0.000 0.980 331 T CA 0.006 62.127 62.100 0.035 0.000 1.091 331 T CB 1.484 70.394 68.868 0.070 0.000 0.936 331 T HN 1.127 nan 8.240 nan 0.000 0.503 332 V N 5.170 125.095 119.914 0.019 0.000 2.357 332 V HA 0.273 4.393 4.120 -0.000 0.000 0.281 332 V C -0.034 176.093 176.094 0.056 0.000 1.015 332 V CA -0.641 61.674 62.300 0.026 0.000 0.827 332 V CB 1.151 32.981 31.823 0.012 0.000 1.018 332 V HN 0.923 nan 8.190 nan 0.000 0.432 333 M N 4.452 124.102 119.600 0.083 0.000 2.775 333 M HA 0.328 4.808 4.480 -0.000 0.000 0.313 333 M C 1.104 177.477 176.300 0.121 0.000 1.429 333 M CA 0.228 55.594 55.300 0.111 0.000 1.494 333 M CB 0.218 32.904 32.600 0.142 0.000 1.274 333 M HN 0.744 nan 8.290 nan 0.000 0.491 334 G N 0.933 109.792 108.800 0.099 0.000 2.666 334 G HA2 0.472 4.432 3.960 -0.000 0.000 0.207 334 G HA3 0.472 4.432 3.960 -0.000 0.000 0.207 334 G C 0.994 175.960 174.900 0.110 0.000 1.481 334 G CA 0.171 45.330 45.100 0.098 0.000 1.071 334 G HN 0.643 nan 8.290 nan 0.000 0.572 335 A N -0.866 122.019 122.820 0.109 0.000 1.892 335 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 335 A C 2.671 180.317 177.584 0.104 0.000 1.188 335 A CA 3.449 55.563 52.037 0.128 0.000 0.631 335 A CB -1.221 17.874 19.000 0.158 0.000 0.822 335 A HN 1.408 nan 8.150 nan 0.000 0.447 336 V N -1.647 118.319 119.914 0.087 0.000 2.568 336 V HA -0.188 3.932 4.120 -0.000 0.000 0.253 336 V C 1.941 178.084 176.094 0.083 0.000 1.072 336 V CA 2.168 64.515 62.300 0.078 0.000 1.084 336 V CB -0.706 31.167 31.823 0.083 0.000 0.676 336 V HN 0.434 nan 8.190 nan 0.000 0.469 337 I N -0.506 120.138 120.570 0.124 0.000 2.852 337 I HA 0.078 4.248 4.170 -0.000 0.000 0.264 337 I C 2.459 178.724 176.117 0.246 0.000 1.179 337 I CA 1.386 62.807 61.300 0.201 0.000 1.480 337 I CB -0.842 37.300 38.000 0.238 0.000 1.111 337 I HN 0.353 nan 8.210 nan 0.000 0.441 338 M N -0.008 119.691 119.600 0.164 0.000 2.394 338 M HA -0.022 4.458 4.480 -0.000 0.000 0.266 338 M C 1.539 177.859 176.300 0.032 0.000 1.098 338 M CA 0.899 56.279 55.300 0.134 0.000 1.149 338 M CB -0.252 32.394 32.600 0.076 0.000 1.369 338 M HN 0.095 nan 8.290 nan 0.000 0.450 339 E N 0.416 120.623 120.200 0.012 0.000 2.533 339 E HA -0.060 4.290 4.350 -0.000 0.000 0.201 339 E C 1.499 178.042 176.600 -0.094 0.000 1.097 339 E CA 0.423 56.822 56.400 -0.002 0.000 0.887 339 E CB -0.146 29.587 29.700 0.055 0.000 0.855 339 E HN 0.587 nan 8.360 nan 0.000 0.540 340 G N -0.223 108.390 108.800 -0.313 0.000 3.079 340 G HA2 0.217 4.177 3.960 -0.000 0.000 0.233 340 G HA3 0.217 4.177 3.960 -0.000 0.000 0.233 340 G C 0.084 174.374 174.900 -1.016 0.000 1.062 340 G CA -0.239 44.434 45.100 -0.712 0.000 0.809 340 G HN 0.007 nan 8.290 nan 0.000 0.535 341 F N -1.748 118.199 119.950 -0.005 0.000 2.675 341 F HA 0.541 5.068 4.527 -0.000 0.000 0.324 341 F C -1.138 174.665 175.800 0.006 0.000 1.106 341 F CA -1.680 56.314 58.000 -0.010 0.000 0.970 341 F CB 1.608 40.624 39.000 0.026 0.000 1.385 341 F HN -0.104 nan 8.300 nan 0.000 0.489 342 Y N 1.940 122.263 120.300 0.039 0.000 2.331 342 Y HA 0.694 5.244 4.550 -0.000 0.000 0.338 342 Y C -1.256 174.452 175.900 -0.320 0.000 0.976 342 Y CA -1.499 56.533 58.100 -0.114 0.000 1.137 342 Y CB 0.962 39.368 38.460 -0.091 0.000 1.172 342 Y HN 0.294 nan 8.280 nan 0.000 0.478 343 V N 7.268 126.770 119.914 -0.686 0.000 2.417 343 V HA 0.424 4.544 4.120 -0.000 0.000 0.291 343 V C -0.628 174.765 176.094 -1.169 0.000 1.024 343 V CA -1.003 60.670 62.300 -1.045 0.000 0.861 343 V CB 1.340 32.549 31.823 -1.023 0.000 0.985 343 V HN 0.577 nan 8.190 nan 0.000 0.436 344 V N 5.236 124.445 119.914 -1.175 0.000 2.350 344 V HA 0.418 4.538 4.120 -0.000 0.000 0.276 344 V C -0.425 175.138 176.094 -0.885 0.000 1.028 344 V CA -0.326 61.439 62.300 -0.893 0.000 0.860 344 V CB 1.016 32.469 31.823 -0.617 0.000 0.990 344 V HN 0.721 nan 8.190 nan 0.000 0.453 345 F N 2.613 122.054 119.950 -0.849 0.000 2.467 345 F HA 0.267 4.794 4.527 -0.000 0.000 0.349 345 F C 1.031 176.576 175.800 -0.425 0.000 1.182 345 F CA -0.444 57.071 58.000 -0.807 0.000 1.279 345 F CB 0.317 38.367 39.000 -1.585 0.000 1.626 345 F HN 0.457 nan 8.300 nan 0.000 0.596 346 D N 2.577 122.935 120.400 -0.071 0.000 2.597 346 D HA 0.014 4.654 4.640 -0.000 0.000 0.228 346 D C 1.503 177.879 176.300 0.126 0.000 1.120 346 D CA 0.235 54.255 54.000 0.033 0.000 1.083 346 D CB 0.162 40.985 40.800 0.038 0.000 1.116 346 D HN 0.462 nan 8.370 nan 0.000 0.487 347 R N 1.098 121.713 120.500 0.192 0.000 2.105 347 R HA -0.148 4.192 4.340 -0.000 0.000 0.239 347 R C 2.219 178.654 176.300 0.226 0.000 1.135 347 R CA 1.422 57.704 56.100 0.303 0.000 0.967 347 R CB -0.060 30.449 30.300 0.348 0.000 0.861 347 R HN 0.316 nan 8.270 nan 0.000 0.442 348 A N 1.385 124.306 122.820 0.167 0.000 1.892 348 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 348 A C 1.747 179.380 177.584 0.081 0.000 1.188 348 A CA 1.413 53.521 52.037 0.118 0.000 0.631 348 A CB -0.303 18.751 19.000 0.089 0.000 0.822 348 A HN 0.239 nan 8.150 nan 0.000 0.447 349 R N -1.073 119.459 120.500 0.053 0.000 2.426 349 R HA 0.176 4.516 4.340 -0.000 0.000 0.263 349 R C -0.064 176.264 176.300 0.047 0.000 0.961 349 R CA 0.222 56.331 56.100 0.015 0.000 1.086 349 R CB -0.100 30.161 30.300 -0.066 0.000 1.186 349 R HN 0.531 nan 8.270 nan 0.000 0.537 350 K N 2.037 122.501 120.400 0.106 0.000 3.490 350 K HA -0.252 4.068 4.320 -0.000 0.000 0.273 350 K C -0.917 175.769 176.600 0.144 0.000 0.916 350 K CA 0.864 57.233 56.287 0.137 0.000 0.718 350 K CB -0.603 31.947 32.500 0.084 0.000 1.477 350 K HN 0.500 nan 8.250 nan 0.000 0.452 351 R N -0.020 120.581 120.500 0.169 0.000 2.747 351 R HA 0.653 4.993 4.340 -0.000 0.000 0.272 351 R C -1.033 175.376 176.300 0.181 0.000 1.032 351 R CA -1.164 55.050 56.100 0.190 0.000 0.896 351 R CB 1.072 31.473 30.300 0.168 0.000 1.253 351 R HN 0.082 nan 8.270 nan 0.000 0.461 352 I N 0.779 121.462 120.570 0.188 0.000 2.478 352 I HA 0.434 4.604 4.170 -0.000 0.000 0.287 352 I C -0.095 175.989 176.117 -0.056 0.000 1.042 352 I CA -0.891 60.371 61.300 -0.063 0.000 1.067 352 I CB 2.312 40.236 38.000 -0.127 0.000 1.233 352 I HN 0.865 nan 8.210 nan 0.000 0.431 353 G N 4.882 113.393 108.800 -0.482 0.000 2.412 353 G HA2 0.753 4.713 3.960 -0.000 0.000 0.318 353 G HA3 0.753 4.713 3.960 -0.000 0.000 0.318 353 G C -1.296 173.096 174.900 -0.846 0.000 1.146 353 G CA -0.192 44.388 45.100 -0.865 0.000 0.882 353 G HN 0.315 nan 8.290 nan 0.000 0.501 354 F N -0.129 119.425 119.950 -0.661 0.000 2.576 354 F HA 0.780 5.307 4.527 -0.000 0.000 0.313 354 F C 0.377 175.911 175.800 -0.442 0.000 1.078 354 F CA -0.629 57.051 58.000 -0.533 0.000 0.921 354 F CB 2.712 41.378 39.000 -0.556 0.000 1.232 354 F HN 0.752 nan 8.300 nan 0.000 0.459 355 A N 0.881 123.635 122.820 -0.111 0.000 2.612 355 A HA 0.705 5.025 4.320 -0.000 0.000 0.293 355 A C -1.692 176.033 177.584 0.235 0.000 1.075 355 A CA -0.826 51.218 52.037 0.011 0.000 0.680 355 A CB 0.979 19.882 19.000 -0.163 0.000 1.279 355 A HN 0.465 nan 8.150 nan 0.000 0.411 356 V N 1.665 121.725 119.914 0.244 0.000 2.529 356 V HA 0.281 4.401 4.120 -0.000 0.000 0.292 356 V C 1.208 177.410 176.094 0.181 0.000 1.028 356 V CA 0.363 62.780 62.300 0.195 0.000 1.074 356 V CB 1.161 33.032 31.823 0.080 0.000 0.958 356 V HN 0.937 nan 8.190 nan 0.000 0.481 357 S N 4.279 120.036 115.700 0.095 0.000 2.488 357 S HA 0.315 4.785 4.470 -0.000 0.000 0.278 357 S C 1.270 176.004 174.600 0.224 0.000 1.259 357 S CA -0.187 58.103 58.200 0.151 0.000 1.061 357 S CB 0.903 64.162 63.200 0.098 0.000 0.910 357 S HN 1.024 nan 8.310 nan 0.000 0.491 358 A N 3.692 126.596 122.820 0.139 0.000 2.248 358 A HA 0.021 4.341 4.320 -0.000 0.000 0.210 358 A C 1.742 179.380 177.584 0.089 0.000 1.174 358 A CA 0.957 53.056 52.037 0.104 0.000 0.750 358 A CB -1.155 17.852 19.000 0.011 0.000 0.780 358 A HN 1.252 nan 8.150 nan 0.000 0.478 359 c N -1.782 116.883 118.600 0.109 0.000 3.642 359 c HA 0.315 4.885 4.570 -0.000 0.000 0.305 359 c C 0.835 174.959 174.090 0.055 0.000 1.492 359 c CA -0.070 56.290 56.329 0.051 0.000 1.809 359 c CB -1.480 41.051 42.510 0.036 0.000 2.639 359 c HN 0.696 nan 8.230 nan 0.000 0.672 360 H N 1.479 120.556 119.070 0.012 0.000 2.928 360 H HA 0.425 4.981 4.556 -0.000 0.000 0.338 360 H C -0.496 174.842 175.328 0.017 0.000 1.047 360 H CA 0.328 56.371 56.048 -0.008 0.000 1.435 360 H CB 0.609 30.334 29.762 -0.061 0.000 1.428 360 H HN 0.191 nan 8.280 nan 0.000 0.590 361 V N 6.629 126.461 119.914 -0.138 0.000 2.637 361 V HA 0.176 4.296 4.120 -0.000 0.000 0.296 361 V C 0.613 176.527 176.094 -0.301 0.000 1.046 361 V CA 0.436 62.570 62.300 -0.276 0.000 1.066 361 V CB 0.146 31.856 31.823 -0.188 0.000 0.968 361 V HN 1.093 nan 8.190 nan 0.000 0.483 362 H N 1.815 120.620 119.070 -0.442 0.000 2.984 362 H HA 0.350 4.906 4.556 -0.000 0.000 0.298 362 H C -1.458 173.664 175.328 -0.342 0.000 1.378 362 H CA -0.923 54.881 56.048 -0.408 0.000 1.241 362 H CB 1.428 30.994 29.762 -0.326 0.000 1.894 362 H HN 0.671 nan 8.280 nan 0.000 0.511 363 D N -0.371 119.932 120.400 -0.161 0.000 2.466 363 D HA 0.095 4.734 4.640 -0.000 0.000 0.262 363 D C 1.175 177.466 176.300 -0.015 0.000 1.177 363 D CA -0.287 53.639 54.000 -0.124 0.000 1.035 363 D CB 1.038 41.838 40.800 -0.001 0.000 1.105 363 D HN 0.775 nan 8.370 nan 0.000 0.551 364 E N -1.029 119.048 120.200 -0.204 0.000 2.427 364 E HA -0.077 4.273 4.350 -0.000 0.000 0.196 364 E C 0.862 177.239 176.600 -0.372 0.000 1.028 364 E CA 0.573 56.787 56.400 -0.309 0.000 0.864 364 E CB -0.457 28.957 29.700 -0.475 0.000 0.813 364 E HN 0.508 nan 8.360 nan 0.000 0.514 365 F N 0.771 120.747 119.950 0.043 0.000 2.473 365 F HA 0.318 4.845 4.527 -0.000 0.000 0.294 365 F C 1.322 177.140 175.800 0.031 0.000 1.103 365 F CA 0.096 58.118 58.000 0.037 0.000 1.442 365 F CB 0.325 39.349 39.000 0.040 0.000 1.097 365 F HN -0.205 nan 8.300 nan 0.000 0.547 366 R N -1.056 119.549 120.500 0.175 0.000 2.836 366 R HA 0.623 4.963 4.340 -0.000 0.000 0.269 366 R C -0.956 175.337 176.300 -0.011 0.000 1.010 366 R CA -0.611 55.542 56.100 0.089 0.000 0.930 366 R CB 2.295 32.659 30.300 0.106 0.000 1.218 366 R HN -0.145 nan 8.270 nan 0.000 0.473 367 T N -0.498 114.013 114.554 -0.071 0.000 2.802 367 T HA 0.590 4.940 4.350 -0.000 0.000 0.311 367 T C -1.248 173.415 174.700 -0.062 0.000 1.405 367 T CA -0.350 61.640 62.100 -0.184 0.000 1.016 367 T CB 1.530 70.152 68.868 -0.410 0.000 1.352 367 T HN 0.681 nan 8.240 nan 0.000 0.498 368 A N 1.416 124.182 122.820 -0.090 0.000 2.366 368 A HA 0.862 5.182 4.320 -0.000 0.000 0.250 368 A C 0.478 177.999 177.584 -0.104 0.000 1.099 368 A CA 0.296 52.200 52.037 -0.222 0.000 0.794 368 A CB -0.272 18.346 19.000 -0.637 0.000 1.056 368 A HN 1.609 nan 8.150 nan 0.000 0.499 369 A N -0.900 121.958 122.820 0.062 0.000 2.588 369 A HA 0.708 5.028 4.320 -0.000 0.000 0.290 369 A C -1.406 176.239 177.584 0.101 0.000 1.136 369 A CA -0.377 51.702 52.037 0.070 0.000 0.681 369 A CB 1.238 20.247 19.000 0.016 0.000 1.282 369 A HN 1.571 nan 8.150 nan 0.000 0.421 370 V N 1.088 120.991 119.914 -0.018 0.000 2.624 370 V HA 0.485 4.605 4.120 -0.000 0.000 0.294 370 V C -0.935 175.001 176.094 -0.263 0.000 1.077 370 V CA -0.265 61.924 62.300 -0.185 0.000 0.905 370 V CB 1.354 33.084 31.823 -0.154 0.000 1.025 370 V HN 0.955 nan 8.190 nan 0.000 0.440 371 E N 2.088 122.062 120.200 -0.376 0.000 2.367 371 E HA 0.902 5.252 4.350 -0.000 0.000 0.273 371 E C -0.007 176.322 176.600 -0.452 0.000 0.903 371 E CA -0.578 55.616 56.400 -0.343 0.000 0.764 371 E CB 2.894 32.574 29.700 -0.034 0.000 1.252 371 E HN 0.934 nan 8.360 nan 0.000 0.446 372 G N 1.098 109.520 108.800 -0.630 0.000 2.349 372 G HA2 0.397 4.357 3.960 -0.000 0.000 0.294 372 G HA3 0.397 4.357 3.960 -0.000 0.000 0.294 372 G C -2.922 171.742 174.900 -0.394 0.000 1.380 372 G CA -0.780 43.924 45.100 -0.660 0.000 0.811 372 G HN 0.380 nan 8.290 nan 0.000 0.519 373 P HA 0.756 nan 4.420 nan 0.000 0.284 373 P C -1.532 175.578 177.300 -0.316 0.000 1.292 373 P CA -0.573 62.504 63.100 -0.039 0.000 0.800 373 P CB 1.250 33.062 31.700 0.187 0.000 1.188 374 F N -1.203 118.775 119.950 0.047 0.000 2.828 374 F HA 0.144 4.671 4.527 -0.000 0.000 0.355 374 F C 0.295 176.127 175.800 0.053 0.000 1.200 374 F CA -0.819 57.218 58.000 0.062 0.000 1.062 374 F CB 1.423 40.498 39.000 0.124 0.000 1.351 374 F HN -0.142 nan 8.300 nan 0.000 0.504 375 V N 3.318 123.320 119.914 0.147 0.000 1.907 375 V HA -0.089 4.031 4.120 -0.000 0.000 0.245 375 V C 1.283 177.436 176.094 0.098 0.000 1.731 375 V CA 1.075 63.438 62.300 0.104 0.000 1.661 375 V CB -1.560 30.300 31.823 0.061 0.000 1.567 375 V HN 0.969 nan 8.190 nan 0.000 0.502 376 T N 0.404 115.024 114.554 0.109 0.000 2.595 376 T HA -0.048 4.302 4.350 -0.000 0.000 0.264 376 T C 0.621 175.335 174.700 0.023 0.000 1.058 376 T CA 0.707 62.834 62.100 0.045 0.000 1.166 376 T CB -0.015 68.850 68.868 -0.005 0.000 0.863 376 T HN 0.388 nan 8.240 nan 0.000 0.415 377 L N 0.624 121.863 121.223 0.027 0.000 5.724 377 L HA 0.021 4.361 4.340 -0.000 0.000 0.234 377 L C -1.658 175.222 176.870 0.016 0.000 1.210 377 L CA -0.764 54.088 54.840 0.021 0.000 0.659 377 L CB -0.247 41.819 42.059 0.012 0.000 1.390 377 L HN 0.345 nan 8.230 nan 0.000 0.133 378 D N 3.094 123.507 120.400 0.021 0.000 6.300 378 D HA -0.191 4.449 4.640 -0.000 0.000 0.165 378 D C 0.453 176.765 176.300 0.019 0.000 0.931 378 D CA 1.576 55.588 54.000 0.020 0.000 0.991 378 D CB 0.139 40.949 40.800 0.016 0.000 1.300 378 D HN 0.495 nan 8.370 nan 0.000 0.730 379 M N 1.384 120.999 119.600 0.024 0.000 2.379 379 M HA 0.098 4.578 4.480 -0.000 0.000 0.268 379 M C 1.764 178.083 176.300 0.032 0.000 1.185 379 M CA -0.192 55.123 55.300 0.025 0.000 1.121 379 M CB 0.179 32.791 32.600 0.019 0.000 1.608 379 M HN 0.238 nan 8.290 nan 0.000 0.569 380 E N 1.900 122.118 120.200 0.030 0.000 2.208 380 E HA -0.245 4.105 4.350 -0.000 0.000 0.202 380 E C 1.143 177.762 176.600 0.033 0.000 1.014 380 E CA 1.951 58.370 56.400 0.031 0.000 0.819 380 E CB -0.193 29.522 29.700 0.025 0.000 0.735 380 E HN 0.569 nan 8.360 nan 0.000 0.469 381 D N -1.028 119.389 120.400 0.029 0.000 2.403 381 D HA -0.140 4.500 4.640 -0.000 0.000 0.227 381 D C 1.141 177.468 176.300 0.044 0.000 0.995 381 D CA 0.588 54.606 54.000 0.029 0.000 0.928 381 D CB -0.557 40.255 40.800 0.021 0.000 0.887 381 D HN 0.293 nan 8.370 nan 0.000 0.529 382 c N 0.608 119.241 118.600 0.055 0.000 2.563 382 c HA 0.264 4.834 4.570 -0.000 0.000 0.268 382 c C 1.749 175.905 174.090 0.111 0.000 1.365 382 c CA -0.137 56.239 56.329 0.079 0.000 1.754 382 c CB -0.905 41.656 42.510 0.085 0.000 1.932 382 c HN 0.383 nan 8.230 nan 0.000 0.536 383 G N 0.404 109.260 108.800 0.093 0.000 2.346 383 G HA2 0.253 4.213 3.960 -0.000 0.000 0.275 383 G HA3 0.253 4.213 3.960 -0.000 0.000 0.275 383 G C -0.544 174.431 174.900 0.124 0.000 1.190 383 G CA 0.211 45.376 45.100 0.108 0.000 1.015 383 G HN 0.535 nan 8.290 nan 0.000 0.441 384 Y N 4.250 124.592 120.300 0.071 0.000 2.377 384 Y HA 0.263 4.813 4.550 -0.000 0.000 0.330 384 Y C 0.310 176.246 175.900 0.059 0.000 1.108 384 Y CA -0.712 57.433 58.100 0.075 0.000 1.308 384 Y CB 0.505 39.032 38.460 0.112 0.000 1.216 384 Y HN 0.465 nan 8.280 nan 0.000 0.518 385 N N 0.000 118.235 118.700 -0.775 0.000 1.763 385 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 385 N CA 0.000 52.684 53.050 -0.610 0.000 0.885 385 N CB 0.000 38.304 38.487 -0.305 0.000 1.341 385 N HN 0.000 nan 8.380 nan 0.000 0.667