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 3ore_1_A DATA FIRST_RESID 2 DATA SEQUENCE VRGFYLRFGE GVSEEANRRA LALAEALLRA PPPGLLDAVP AYGVLYLEYD DATA SEQUENCE PRRLSRGRLL RLLKGLXXXX XXXXRVVEIP VRYDGEDLPE VASRLGLSLE DATA SEQUENCE AVKALHQKPL YRVYALGFTP GFPFLAEVEP ALRLPRKPHP RPRVPAHAVA DATA SEQUENCE VAGVQTGIYP LPSPGGWNLL GTSLVAVYDP HRETPFLLRP GDRVRFLEAE DATA SEQUENCE GPTPPEPRPL ELLPEEPRLP ALLVEEPGLM DLVVDGGRFL GGHLGLARSG DATA SEQUENCE PLDAPSARLA NRLVGNGAGA PLLEFAYKGP VLTALRDLVA AFAGYGFVAL DATA SEQUENCE LEGEEIPPGQ SFLWPRGKTL RFRPRGPGVR GYLAVAGGLE VRPFLGSASP DATA SEQUENCE DLRGRIGRPL WAGDVLGLEA LRPVRPGRAF PQRPLPEAFR LRLLPGPQXX DATA SEQUENCE XEAFRALCSG PFRVARADRV GVELLGPEVP GGEGLSEPTP LGGVQVPPSG DATA SEQUENCE RPLVLLADKG SLGGYAKPAL VDPRDLWLLG QARPGVEIHF TS 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 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 175.982 176.094 -0.187 0.000 1.182 2 V CA 0.000 62.207 62.300 -0.154 0.000 1.235 2 V CB 0.000 31.782 31.823 -0.068 0.000 1.184 3 R N 1.580 121.855 120.500 -0.375 0.000 2.574 3 R HA 0.935 5.275 4.340 -0.001 0.000 0.266 3 R C 0.516 176.660 176.300 -0.259 0.000 1.157 3 R CA 0.020 55.947 56.100 -0.287 0.000 1.187 3 R CB 1.046 31.178 30.300 -0.281 0.000 1.179 3 R HN 2.009 nan 8.270 nan 0.000 0.600 4 G N -0.415 108.402 108.800 0.029 0.000 2.752 4 G HA2 0.609 4.568 3.960 -0.001 0.000 0.298 4 G HA3 0.609 4.568 3.960 -0.001 0.000 0.298 4 G C -0.998 174.040 174.900 0.230 0.000 1.434 4 G CA -0.100 45.041 45.100 0.067 0.000 1.004 4 G HN 1.390 nan 8.290 nan 0.000 0.560 5 F N 0.029 119.855 119.950 -0.207 0.000 2.643 5 F HA 0.852 5.379 4.527 -0.001 0.000 0.314 5 F C -1.769 173.906 175.800 -0.209 0.000 1.096 5 F CA -1.881 56.081 58.000 -0.063 0.000 0.953 5 F CB 1.462 40.497 39.000 0.059 0.000 1.345 5 F HN 0.422 nan 8.300 nan 0.000 0.468 6 Y N 1.257 121.625 120.300 0.115 0.000 2.446 6 Y HA 0.701 5.251 4.550 -0.000 0.000 0.338 6 Y C -0.953 174.917 175.900 -0.050 0.000 1.055 6 Y CA -1.089 57.019 58.100 0.013 0.000 1.101 6 Y CB 1.919 40.449 38.460 0.117 0.000 1.221 6 Y HN 0.446 nan 8.280 nan 0.000 0.460 7 L N 3.736 124.958 121.223 -0.003 0.000 2.343 7 L HA 0.515 4.855 4.340 -0.001 0.000 0.278 7 L C -0.639 176.001 176.870 -0.384 0.000 0.996 7 L CA -0.746 53.972 54.840 -0.204 0.000 0.831 7 L CB 1.378 43.292 42.059 -0.241 0.000 1.232 7 L HN 0.542 nan 8.230 nan 0.000 0.413 8 R N 3.137 123.385 120.500 -0.420 0.000 2.393 8 R HA 0.459 4.799 4.340 -0.001 0.000 0.310 8 R C -0.393 175.629 176.300 -0.463 0.000 0.968 8 R CA -0.398 55.522 56.100 -0.299 0.000 0.867 8 R CB 1.374 31.614 30.300 -0.099 0.000 1.124 8 R HN 0.410 nan 8.270 nan 0.000 0.450 9 F N 0.086 120.089 119.950 0.088 0.000 2.706 9 F HA 0.375 4.902 4.527 -0.000 0.000 0.313 9 F C 0.801 176.643 175.800 0.070 0.000 1.096 9 F CA -0.351 57.693 58.000 0.074 0.000 1.219 9 F CB 1.731 40.775 39.000 0.074 0.000 1.051 9 F HN 0.733 nan 8.300 nan 0.000 0.568 10 G N 0.511 109.431 108.800 0.200 0.000 2.270 10 G HA2 0.189 4.149 3.960 -0.001 0.000 0.295 10 G HA3 0.189 4.149 3.960 -0.001 0.000 0.295 10 G C -1.243 173.720 174.900 0.106 0.000 1.732 10 G CA -1.026 44.158 45.100 0.142 0.000 0.909 10 G HN -0.034 nan 8.290 nan 0.000 0.730 11 E N 0.206 120.440 120.200 0.057 0.000 2.390 11 E HA 0.500 4.849 4.350 -0.001 0.000 0.261 11 E C 1.095 177.697 176.600 0.004 0.000 1.076 11 E CA 0.870 57.282 56.400 0.020 0.000 0.905 11 E CB 1.094 30.793 29.700 -0.003 0.000 0.984 11 E HN 1.724 nan 8.360 nan 0.000 0.427 12 G N 0.257 109.027 108.800 -0.051 0.000 2.750 12 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.228 12 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.228 12 G C -0.333 174.505 174.900 -0.104 0.000 1.367 12 G CA -0.535 44.496 45.100 -0.114 0.000 0.871 12 G HN 0.448 nan 8.290 nan 0.000 0.560 13 V N 1.313 121.122 119.914 -0.175 0.000 2.326 13 V HA 0.490 4.610 4.120 -0.001 0.000 0.249 13 V C 0.882 176.947 176.094 -0.048 0.000 1.114 13 V CA 0.970 63.161 62.300 -0.182 0.000 1.028 13 V CB 0.409 32.022 31.823 -0.350 0.000 1.170 13 V HN 1.128 nan 8.190 nan 0.000 0.494 14 S N 2.838 118.623 115.700 0.142 0.000 2.519 14 S HA 0.332 4.802 4.470 -0.001 0.000 0.309 14 S C 0.883 175.707 174.600 0.374 0.000 1.100 14 S CA -0.631 57.690 58.200 0.201 0.000 1.059 14 S CB 1.772 65.061 63.200 0.149 0.000 1.008 14 S HN 0.838 nan 8.310 nan 0.000 0.478 15 E N 3.142 123.545 120.200 0.339 0.000 2.051 15 E HA -0.196 4.154 4.350 -0.001 0.000 0.192 15 E C 1.545 178.229 176.600 0.140 0.000 0.991 15 E CA 1.573 58.141 56.400 0.280 0.000 0.799 15 E CB -0.110 29.703 29.700 0.189 0.000 0.748 15 E HN 0.885 nan 8.360 nan 0.000 0.449 16 E N -0.115 120.153 120.200 0.113 0.000 2.031 16 E HA -0.218 4.132 4.350 -0.001 0.000 0.193 16 E C 1.985 178.624 176.600 0.064 0.000 0.994 16 E CA 1.146 57.583 56.400 0.062 0.000 0.800 16 E CB -0.214 29.518 29.700 0.054 0.000 0.752 16 E HN 0.328 nan 8.360 nan 0.000 0.447 17 A N 1.489 124.384 122.820 0.125 0.000 1.940 17 A HA -0.250 4.070 4.320 -0.001 0.000 0.219 17 A C 2.058 179.749 177.584 0.179 0.000 1.176 17 A CA 1.740 53.880 52.037 0.171 0.000 0.631 17 A CB -0.884 18.252 19.000 0.228 0.000 0.814 17 A HN 0.453 nan 8.150 nan 0.000 0.446 18 N N -0.474 118.347 118.700 0.202 0.000 2.216 18 N HA -0.142 4.598 4.740 -0.001 0.000 0.183 18 N C 1.942 177.465 175.510 0.022 0.000 1.017 18 N CA 1.060 54.211 53.050 0.167 0.000 0.861 18 N CB -0.140 38.475 38.487 0.214 0.000 0.986 18 N HN 0.507 nan 8.380 nan 0.000 0.428 19 R N 0.395 120.882 120.500 -0.022 0.000 2.096 19 R HA -0.103 4.237 4.340 -0.001 0.000 0.235 19 R C 2.339 178.579 176.300 -0.100 0.000 1.127 19 R CA 1.220 57.279 56.100 -0.068 0.000 0.968 19 R CB -0.185 30.078 30.300 -0.060 0.000 0.861 19 R HN 0.113 nan 8.270 nan 0.000 0.440 20 R N 0.989 121.402 120.500 -0.145 0.000 2.066 20 R HA -0.039 4.301 4.340 -0.001 0.000 0.232 20 R C 1.977 178.075 176.300 -0.337 0.000 1.131 20 R CA 1.907 57.803 56.100 -0.340 0.000 0.955 20 R CB -0.700 29.260 30.300 -0.566 0.000 0.851 20 R HN 0.222 nan 8.270 nan 0.000 0.432 21 A N 0.418 123.175 122.820 -0.106 0.000 1.877 21 A HA -0.113 4.207 4.320 -0.001 0.000 0.216 21 A C 2.186 179.795 177.584 0.041 0.000 1.186 21 A CA 1.511 53.625 52.037 0.127 0.000 0.620 21 A CB -0.809 18.363 19.000 0.287 0.000 0.822 21 A HN 0.370 nan 8.150 nan 0.000 0.443 22 L N -0.398 120.825 121.223 -0.001 0.000 2.083 22 L HA -0.105 4.234 4.340 -0.001 0.000 0.209 22 L C 2.776 179.614 176.870 -0.054 0.000 1.083 22 L CA 1.871 56.693 54.840 -0.030 0.000 0.752 22 L CB -0.467 41.562 42.059 -0.051 0.000 0.899 22 L HN 0.378 nan 8.230 nan 0.000 0.433 23 A N -0.462 122.313 122.820 -0.075 0.000 1.883 23 A HA -0.214 4.106 4.320 -0.001 0.000 0.217 23 A C 2.222 179.763 177.584 -0.072 0.000 1.186 23 A CA 2.150 54.138 52.037 -0.081 0.000 0.624 23 A CB -0.950 17.987 19.000 -0.105 0.000 0.822 23 A HN 0.473 nan 8.150 nan 0.000 0.444 24 L N -0.904 120.278 121.223 -0.068 0.000 2.056 24 L HA -0.173 4.166 4.340 -0.001 0.000 0.207 24 L C 3.120 179.963 176.870 -0.046 0.000 1.078 24 L CA 0.961 55.776 54.840 -0.041 0.000 0.749 24 L CB -0.616 41.449 42.059 0.009 0.000 0.901 24 L HN 0.449 nan 8.230 nan 0.000 0.433 25 A N 0.168 122.959 122.820 -0.048 0.000 1.865 25 A HA -0.253 4.067 4.320 -0.001 0.000 0.217 25 A C 2.179 179.689 177.584 -0.124 0.000 1.191 25 A CA 1.922 53.908 52.037 -0.086 0.000 0.623 25 A CB -0.529 18.423 19.000 -0.079 0.000 0.826 25 A HN 0.457 nan 8.150 nan 0.000 0.444 26 E N -0.414 119.722 120.200 -0.106 0.000 2.110 26 E HA -0.110 4.240 4.350 -0.001 0.000 0.193 26 E C 2.315 178.863 176.600 -0.087 0.000 0.988 26 E CA 0.888 57.225 56.400 -0.105 0.000 0.804 26 E CB -0.304 29.350 29.700 -0.077 0.000 0.745 26 E HN 0.628 nan 8.360 nan 0.000 0.458 27 A N 1.113 123.890 122.820 -0.071 0.000 1.908 27 A HA -0.176 4.144 4.320 -0.001 0.000 0.218 27 A C 2.167 179.715 177.584 -0.061 0.000 1.181 27 A CA 1.140 53.142 52.037 -0.058 0.000 0.627 27 A CB -0.552 18.419 19.000 -0.049 0.000 0.818 27 A HN 0.128 nan 8.150 nan 0.000 0.445 28 L N -0.918 120.262 121.223 -0.072 0.000 2.044 28 L HA -0.101 4.238 4.340 -0.001 0.000 0.205 28 L C 2.540 179.361 176.870 -0.083 0.000 1.075 28 L CA 0.904 55.700 54.840 -0.073 0.000 0.747 28 L CB -0.506 41.505 42.059 -0.080 0.000 0.903 28 L HN 0.348 nan 8.230 nan 0.000 0.435 29 L N -0.494 120.659 121.223 -0.118 0.000 2.083 29 L HA -0.191 4.149 4.340 -0.001 0.000 0.209 29 L C 2.766 179.587 176.870 -0.082 0.000 1.083 29 L CA 1.060 55.822 54.840 -0.131 0.000 0.752 29 L CB -0.477 41.431 42.059 -0.252 0.000 0.899 29 L HN 0.249 nan 8.230 nan 0.000 0.433 30 R N 0.484 120.940 120.500 -0.072 0.000 2.148 30 R HA -0.034 4.305 4.340 -0.001 0.000 0.227 30 R C 0.465 176.742 176.300 -0.038 0.000 1.103 30 R CA 1.112 57.183 56.100 -0.048 0.000 0.983 30 R CB 0.132 30.405 30.300 -0.045 0.000 0.874 30 R HN 0.283 nan 8.270 nan 0.000 0.451 31 A N 1.545 124.340 122.820 -0.042 0.000 3.300 31 A HA 0.335 4.654 4.320 -0.001 0.000 0.300 31 A C -2.618 174.943 177.584 -0.037 0.000 1.099 31 A CA -1.235 50.781 52.037 -0.035 0.000 0.846 31 A CB 0.794 19.775 19.000 -0.031 0.000 1.255 31 A HN 0.080 nan 8.150 nan 0.000 0.519 32 P HA 0.337 nan 4.420 nan 0.000 0.276 32 P C -2.702 174.577 177.300 -0.035 0.000 1.243 32 P CA -0.840 62.238 63.100 -0.038 0.000 0.768 32 P CB 0.664 32.345 31.700 -0.032 0.000 0.856 33 P HA 0.224 nan 4.420 nan 0.000 0.275 33 P C -2.455 174.824 177.300 -0.035 0.000 1.227 33 P CA -1.901 61.179 63.100 -0.034 0.000 0.781 33 P CB -0.584 31.095 31.700 -0.034 0.000 0.906 34 P HA 0.073 nan 4.420 nan 0.000 0.266 34 P C 0.815 178.090 177.300 -0.041 0.000 1.215 34 P CA 0.798 63.869 63.100 -0.049 0.000 0.763 34 P CB 0.126 31.799 31.700 -0.045 0.000 0.806 35 G N 2.213 110.979 108.800 -0.057 0.000 2.336 35 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.194 35 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.194 35 G C -0.402 174.507 174.900 0.015 0.000 0.999 35 G CA -0.378 44.708 45.100 -0.023 0.000 0.669 35 G HN 0.575 nan 8.290 nan 0.000 0.482 36 L N 2.139 123.361 121.223 -0.002 0.000 2.361 36 L HA 0.657 4.996 4.340 -0.001 0.000 0.278 36 L C 1.311 178.187 176.870 0.009 0.000 1.113 36 L CA -0.240 54.614 54.840 0.022 0.000 0.849 36 L CB 0.876 42.931 42.059 -0.008 0.000 1.155 36 L HN 0.039 nan 8.230 nan 0.000 0.452 37 L N 3.334 124.595 121.223 0.063 0.000 2.253 37 L HA 0.378 4.718 4.340 -0.001 0.000 0.205 37 L C 0.160 177.146 176.870 0.194 0.000 1.078 37 L CA 0.719 55.652 54.840 0.155 0.000 0.805 37 L CB -0.469 41.714 42.059 0.206 0.000 0.963 37 L HN 0.618 nan 8.230 nan 0.000 0.459 38 D N -1.905 118.556 120.400 0.101 0.000 2.706 38 D HA 0.611 5.251 4.640 -0.001 0.000 0.225 38 D C -1.408 174.889 176.300 -0.005 0.000 1.241 38 D CA -0.157 53.897 54.000 0.089 0.000 0.784 38 D CB 2.293 43.182 40.800 0.149 0.000 1.521 38 D HN -0.107 nan 8.370 nan 0.000 0.461 39 A N 1.586 124.403 122.820 -0.006 0.000 2.466 39 A HA 0.584 4.904 4.320 -0.001 0.000 0.291 39 A C -1.159 176.423 177.584 -0.003 0.000 1.234 39 A CA -0.507 51.492 52.037 -0.063 0.000 0.752 39 A CB 0.768 19.701 19.000 -0.113 0.000 1.153 39 A HN 0.192 nan 8.150 nan 0.000 0.458 40 V N 5.138 125.096 119.914 0.074 0.000 2.350 40 V HA 0.481 4.601 4.120 -0.001 0.000 0.285 40 V C -2.333 173.833 176.094 0.120 0.000 1.014 40 V CA -1.502 60.874 62.300 0.128 0.000 0.831 40 V CB 1.521 33.448 31.823 0.175 0.000 1.000 40 V HN 0.784 nan 8.190 nan 0.000 0.433 41 P HA 0.705 nan 4.420 nan 0.000 0.290 41 P C -0.977 176.373 177.300 0.083 0.000 1.275 41 P CA -0.746 62.413 63.100 0.097 0.000 0.841 41 P CB 2.184 33.919 31.700 0.058 0.000 1.042 42 A N 2.502 125.387 122.820 0.109 0.000 2.541 42 A HA 0.591 4.910 4.320 -0.001 0.000 0.285 42 A C -0.828 176.843 177.584 0.146 0.000 1.058 42 A CA -0.501 51.542 52.037 0.010 0.000 0.886 42 A CB -0.231 18.828 19.000 0.099 0.000 1.411 42 A HN 0.486 nan 8.150 nan 0.000 0.403 43 Y N -0.131 120.344 120.300 0.292 0.000 2.896 43 Y HA -0.402 4.147 4.550 -0.000 0.000 0.466 43 Y C 1.965 178.022 175.900 0.261 0.000 1.196 43 Y CA 1.604 59.894 58.100 0.317 0.000 2.514 43 Y CB -1.379 37.199 38.460 0.198 0.000 1.231 43 Y HN 1.126 nan 8.280 nan 0.000 0.632 44 G N 0.258 109.310 108.800 0.421 0.000 2.776 44 G HA2 0.289 4.249 3.960 -0.001 0.000 0.209 44 G HA3 0.289 4.249 3.960 -0.001 0.000 0.209 44 G C -0.274 174.814 174.900 0.313 0.000 1.145 44 G CA 0.864 46.167 45.100 0.337 0.000 0.791 44 G HN 0.352 nan 8.290 nan 0.000 0.530 45 V N 0.592 120.679 119.914 0.288 0.000 2.483 45 V HA 0.574 4.693 4.120 -0.001 0.000 0.295 45 V C -0.601 175.645 176.094 0.254 0.000 1.035 45 V CA -1.016 61.426 62.300 0.238 0.000 0.896 45 V CB 1.877 33.844 31.823 0.241 0.000 0.986 45 V HN 0.101 nan 8.190 nan 0.000 0.447 46 L N 4.998 126.348 121.223 0.212 0.000 2.356 46 L HA 0.593 4.933 4.340 -0.001 0.000 0.277 46 L C -1.239 175.681 176.870 0.083 0.000 0.996 46 L CA -0.464 54.469 54.840 0.156 0.000 0.822 46 L CB 1.499 43.645 42.059 0.145 0.000 1.256 46 L HN 0.659 nan 8.230 nan 0.000 0.413 47 Y N 5.517 125.757 120.300 -0.100 0.000 2.331 47 Y HA 0.711 5.261 4.550 -0.000 0.000 0.338 47 Y C -1.470 174.229 175.900 -0.334 0.000 0.992 47 Y CA -0.824 57.066 58.100 -0.348 0.000 1.121 47 Y CB 1.238 39.489 38.460 -0.348 0.000 1.184 47 Y HN 0.584 nan 8.280 nan 0.000 0.469 48 L N 6.475 127.041 121.223 -1.094 0.000 2.325 48 L HA 0.480 4.820 4.340 -0.001 0.000 0.281 48 L C -0.638 175.743 176.870 -0.815 0.000 1.004 48 L CA -0.614 53.733 54.840 -0.821 0.000 0.823 48 L CB 1.850 43.410 42.059 -0.831 0.000 1.236 48 L HN 0.629 nan 8.230 nan 0.000 0.415 49 E N 3.075 123.002 120.200 -0.456 0.000 2.183 49 E HA 0.561 4.910 4.350 -0.001 0.000 0.271 49 E C -1.762 174.905 176.600 0.112 0.000 0.919 49 E CA -0.598 55.699 56.400 -0.172 0.000 0.781 49 E CB 1.832 31.498 29.700 -0.057 0.000 1.140 49 E HN 0.435 nan 8.360 nan 0.000 0.402 50 Y N 0.393 120.670 120.300 -0.039 0.000 2.656 50 Y HA 0.403 4.952 4.550 -0.001 0.000 0.334 50 Y C -1.571 174.329 175.900 0.000 0.000 1.179 50 Y CA -1.634 56.458 58.100 -0.014 0.000 1.050 50 Y CB 0.825 39.291 38.460 0.008 0.000 1.308 50 Y HN 0.310 nan 8.280 nan 0.000 0.456 51 D N 2.861 123.266 120.400 0.008 0.000 2.317 51 D HA 0.455 5.095 4.640 -0.001 0.000 0.234 51 D C -2.148 174.176 176.300 0.040 0.000 1.112 51 D CA -2.632 51.328 54.000 -0.067 0.000 0.840 51 D CB 1.846 42.620 40.800 -0.044 0.000 1.078 51 D HN 0.314 nan 8.370 nan 0.000 0.486 52 P HA -0.089 nan 4.420 nan 0.000 0.223 52 P C 1.439 178.772 177.300 0.055 0.000 1.151 52 P CA 1.120 64.276 63.100 0.094 0.000 0.787 52 P CB 0.111 31.822 31.700 0.018 0.000 0.788 53 R N 0.800 121.306 120.500 0.011 0.000 2.081 53 R HA -0.077 4.263 4.340 -0.001 0.000 0.235 53 R C 2.237 178.541 176.300 0.007 0.000 1.131 53 R CA 1.800 57.901 56.100 0.001 0.000 0.960 53 R CB -1.801 28.488 30.300 -0.018 0.000 0.856 53 R HN 0.255 nan 8.270 nan 0.000 0.436 54 R N -1.943 118.564 120.500 0.012 0.000 2.156 54 R HA 0.252 4.592 4.340 -0.001 0.000 0.207 54 R C -0.294 176.021 176.300 0.025 0.000 1.040 54 R CA 0.298 56.402 56.100 0.005 0.000 1.013 54 R CB 0.247 30.538 30.300 -0.016 0.000 0.931 54 R HN 0.334 nan 8.270 nan 0.000 0.465 55 L N 1.116 122.383 121.223 0.074 0.000 2.441 55 L HA 0.280 4.620 4.340 -0.001 0.000 0.270 55 L C -0.467 176.471 176.870 0.112 0.000 0.973 55 L CA -0.621 54.263 54.840 0.073 0.000 0.842 55 L CB 1.821 43.926 42.059 0.076 0.000 1.239 55 L HN 0.020 nan 8.230 nan 0.000 0.406 56 S N 3.772 119.488 115.700 0.026 0.000 2.603 56 S HA 0.364 4.833 4.470 -0.001 0.000 0.268 56 S C 1.103 175.624 174.600 -0.133 0.000 1.317 56 S CA -0.224 57.981 58.200 0.009 0.000 1.012 56 S CB 1.200 64.392 63.200 -0.014 0.000 0.926 56 S HN 0.818 nan 8.310 nan 0.000 0.539 57 R N 1.399 121.799 120.500 -0.166 0.000 2.092 57 R HA -0.024 4.316 4.340 -0.001 0.000 0.231 57 R C 2.263 178.412 176.300 -0.251 0.000 1.119 57 R CA 1.522 57.393 56.100 -0.381 0.000 0.970 57 R CB -1.182 28.899 30.300 -0.365 0.000 0.864 57 R HN 0.892 nan 8.270 nan 0.000 0.440 58 G N 0.547 109.258 108.800 -0.149 0.000 2.418 58 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.217 58 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.217 58 G C 1.449 176.302 174.900 -0.078 0.000 1.158 58 G CA 0.785 45.826 45.100 -0.098 0.000 0.771 58 G HN 0.254 nan 8.290 nan 0.000 0.545 59 R N 0.177 120.630 120.500 -0.078 0.000 2.080 59 R HA -0.030 4.310 4.340 -0.001 0.000 0.236 59 R C 2.373 178.632 176.300 -0.069 0.000 1.137 59 R CA 1.459 57.521 56.100 -0.063 0.000 0.943 59 R CB -1.122 29.144 30.300 -0.056 0.000 0.846 59 R HN 0.308 nan 8.270 nan 0.000 0.431 60 L N 0.168 121.325 121.223 -0.109 0.000 2.079 60 L HA -0.051 4.289 4.340 -0.001 0.000 0.210 60 L C 2.059 178.913 176.870 -0.027 0.000 1.081 60 L CA 1.690 56.473 54.840 -0.094 0.000 0.752 60 L CB -0.410 41.540 42.059 -0.183 0.000 0.896 60 L HN 0.329 nan 8.230 nan 0.000 0.433 61 L N -1.251 119.959 121.223 -0.021 0.000 2.072 61 L HA -0.138 4.202 4.340 -0.001 0.000 0.205 61 L C 2.697 179.576 176.870 0.014 0.000 1.079 61 L CA 1.034 55.890 54.840 0.026 0.000 0.752 61 L CB -0.405 41.657 42.059 0.004 0.000 0.906 61 L HN 0.168 nan 8.230 nan 0.000 0.436 62 R N -0.511 119.983 120.500 -0.009 0.000 2.115 62 R HA -0.131 4.209 4.340 -0.001 0.000 0.230 62 R C 2.178 178.474 176.300 -0.006 0.000 1.111 62 R CA 0.864 56.960 56.100 -0.007 0.000 0.976 62 R CB -0.325 29.965 30.300 -0.016 0.000 0.870 62 R HN 0.174 nan 8.270 nan 0.000 0.445 63 L N 0.634 121.849 121.223 -0.013 0.000 2.042 63 L HA -0.192 4.148 4.340 -0.001 0.000 0.210 63 L C 2.140 179.006 176.870 -0.006 0.000 1.076 63 L CA 1.685 56.516 54.840 -0.015 0.000 0.749 63 L CB -0.426 41.617 42.059 -0.025 0.000 0.893 63 L HN 0.166 nan 8.230 nan 0.000 0.432 64 L N -0.915 120.313 121.223 0.008 0.000 2.217 64 L HA -0.169 4.171 4.340 -0.001 0.000 0.211 64 L C 2.879 179.765 176.870 0.027 0.000 1.107 64 L CA 1.110 55.964 54.840 0.023 0.000 0.783 64 L CB -0.925 41.169 42.059 0.059 0.000 0.919 64 L HN 0.279 nan 8.230 nan 0.000 0.442 65 K N 0.786 121.201 120.400 0.025 0.000 2.152 65 K HA -0.041 4.279 4.320 -0.001 0.000 0.206 65 K C 1.481 178.086 176.600 0.008 0.000 1.048 65 K CA 1.531 57.832 56.287 0.023 0.000 0.933 65 K CB -0.908 31.603 32.500 0.019 0.000 0.721 65 K HN 0.475 nan 8.250 nan 0.000 0.447 66 G N -0.526 108.274 108.800 -0.001 0.000 4.951 66 G HA2 0.542 4.502 3.960 -0.001 0.000 0.282 66 G HA3 0.542 4.502 3.960 -0.001 0.000 0.282 66 G C 0.088 174.979 174.900 -0.015 0.000 1.301 66 G CA 0.342 45.437 45.100 -0.009 0.000 0.975 66 G HN 0.714 nan 8.290 nan 0.000 0.589 77 V N 4.824 124.739 119.914 0.001 0.000 2.383 77 V HA 0.418 4.538 4.120 -0.001 0.000 0.275 77 V C -0.112 175.979 176.094 -0.005 0.000 1.036 77 V CA -0.510 61.791 62.300 0.000 0.000 0.889 77 V CB 1.542 33.367 31.823 0.003 0.000 0.985 77 V HN 0.434 nan 8.190 nan 0.000 0.459 78 V N 3.711 123.615 119.914 -0.017 0.000 2.409 78 V HA 0.568 4.688 4.120 -0.001 0.000 0.291 78 V C 0.401 176.458 176.094 -0.063 0.000 1.020 78 V CA -0.592 61.689 62.300 -0.031 0.000 0.848 78 V CB 1.579 33.383 31.823 -0.031 0.000 0.990 78 V HN 1.034 nan 8.190 nan 0.000 0.430 79 E N 5.422 125.594 120.200 -0.047 0.000 2.289 79 E HA 0.552 4.902 4.350 -0.001 0.000 0.278 79 E C -0.579 175.971 176.600 -0.083 0.000 1.032 79 E CA -0.418 55.950 56.400 -0.053 0.000 0.854 79 E CB 1.017 30.710 29.700 -0.011 0.000 1.046 79 E HN 0.541 nan 8.360 nan 0.000 0.409 80 I N 4.947 125.433 120.570 -0.139 0.000 2.405 80 I HA 0.275 4.444 4.170 -0.001 0.000 0.280 80 I C -2.444 173.690 176.117 0.028 0.000 1.027 80 I CA -2.820 58.410 61.300 -0.116 0.000 1.161 80 I CB 1.358 39.162 38.000 -0.326 0.000 1.300 80 I HN 0.395 nan 8.210 nan 0.000 0.463 81 P HA 0.238 nan 4.420 nan 0.000 0.276 81 P C -0.598 176.736 177.300 0.056 0.000 1.230 81 P CA -0.086 63.052 63.100 0.062 0.000 0.776 81 P CB 1.695 33.412 31.700 0.028 0.000 0.888 82 V N 4.194 124.133 119.914 0.042 0.000 2.686 82 V HA 0.362 4.482 4.120 -0.001 0.000 0.306 82 V C 0.340 176.329 176.094 -0.174 0.000 1.065 82 V CA -0.785 61.444 62.300 -0.119 0.000 0.894 82 V CB 2.357 33.988 31.823 -0.319 0.000 1.004 82 V HN 0.485 nan 8.190 nan 0.000 0.424 83 R N 2.980 123.385 120.500 -0.159 0.000 2.196 83 R HA 0.341 4.681 4.340 -0.001 0.000 0.340 83 R C -1.218 174.993 176.300 -0.149 0.000 1.043 83 R CA -0.448 55.604 56.100 -0.080 0.000 0.883 83 R CB 0.410 30.692 30.300 -0.030 0.000 1.078 83 R HN 0.697 nan 8.270 nan 0.000 0.462 84 Y N 3.797 124.103 120.300 0.009 0.000 2.735 84 Y HA 0.046 4.596 4.550 -0.001 0.000 0.354 84 Y C 0.179 176.068 175.900 -0.019 0.000 1.288 84 Y CA -0.263 57.825 58.100 -0.020 0.000 1.836 84 Y CB 0.183 38.632 38.460 -0.020 0.000 1.920 84 Y HN 0.546 nan 8.280 nan 0.000 0.438 85 D N -0.549 119.885 120.400 0.057 0.000 2.963 85 D HA 0.194 4.834 4.640 -0.001 0.000 0.361 85 D C 0.528 176.837 176.300 0.014 0.000 1.317 85 D CA -0.422 53.602 54.000 0.040 0.000 0.832 85 D CB -0.033 40.783 40.800 0.026 0.000 1.135 85 D HN 0.365 nan 8.370 nan 0.000 0.476 86 G N 0.157 108.967 108.800 0.016 0.000 2.483 86 G HA2 0.101 4.061 3.960 -0.001 0.000 0.248 86 G HA3 0.101 4.061 3.960 -0.001 0.000 0.248 86 G C 0.812 175.716 174.900 0.005 0.000 1.248 86 G CA -0.403 44.697 45.100 -0.001 0.000 0.838 86 G HN 0.041 nan 8.290 nan 0.000 0.566 87 E N 0.805 121.004 120.200 -0.002 0.000 2.268 87 E HA -0.089 4.261 4.350 -0.001 0.000 0.195 87 E C 1.098 177.702 176.600 0.007 0.000 0.995 87 E CA 0.842 57.243 56.400 0.001 0.000 0.836 87 E CB 0.257 29.954 29.700 -0.004 0.000 0.763 87 E HN 0.536 nan 8.360 nan 0.000 0.491 88 D N 0.124 120.529 120.400 0.009 0.000 2.339 88 D HA -0.035 4.605 4.640 -0.001 0.000 0.217 88 D C 1.834 178.140 176.300 0.010 0.000 1.050 88 D CA -0.119 53.888 54.000 0.013 0.000 0.856 88 D CB 0.241 41.052 40.800 0.020 0.000 0.922 88 D HN 0.074 nan 8.370 nan 0.000 0.518 89 L N 1.907 123.137 121.223 0.012 0.000 2.012 89 L HA -0.085 4.255 4.340 -0.001 0.000 0.210 89 L C -0.875 175.998 176.870 0.005 0.000 1.073 89 L CA 2.217 57.064 54.840 0.011 0.000 0.748 89 L CB -1.397 40.678 42.059 0.026 0.000 0.891 89 L HN -0.054 nan 8.230 nan 0.000 0.431 90 P HA -0.187 nan 4.420 nan 0.000 0.215 90 P C 1.532 178.833 177.300 0.002 0.000 1.157 90 P CA 1.427 64.529 63.100 0.003 0.000 0.863 90 P CB -0.029 31.674 31.700 0.005 0.000 0.787 91 E N -0.141 120.061 120.200 0.003 0.000 2.058 91 E HA -0.162 4.187 4.350 -0.001 0.000 0.194 91 E C 1.852 178.451 176.600 -0.001 0.000 0.997 91 E CA 1.413 57.815 56.400 0.003 0.000 0.801 91 E CB -0.380 29.324 29.700 0.006 0.000 0.746 91 E HN -0.072 nan 8.360 nan 0.000 0.450 92 V N 1.335 121.248 119.914 -0.002 0.000 2.332 92 V HA -0.303 3.817 4.120 -0.001 0.000 0.248 92 V C 2.492 178.581 176.094 -0.008 0.000 1.055 92 V CA 1.871 64.167 62.300 -0.006 0.000 1.038 92 V CB -0.917 30.902 31.823 -0.006 0.000 0.651 92 V HN 0.432 nan 8.190 nan 0.000 0.450 93 A N 0.763 123.578 122.820 -0.007 0.000 1.865 93 A HA -0.248 4.071 4.320 -0.001 0.000 0.217 93 A C 2.578 180.158 177.584 -0.008 0.000 1.191 93 A CA 2.649 54.680 52.037 -0.009 0.000 0.623 93 A CB -0.905 18.090 19.000 -0.010 0.000 0.826 93 A HN 0.695 nan 8.150 nan 0.000 0.444 94 S N -0.920 114.777 115.700 -0.005 0.000 2.428 94 S HA -0.109 4.360 4.470 -0.001 0.000 0.230 94 S C 2.006 176.602 174.600 -0.006 0.000 1.014 94 S CA 1.210 59.407 58.200 -0.005 0.000 0.957 94 S CB -0.332 62.866 63.200 -0.003 0.000 0.784 94 S HN 0.538 nan 8.310 nan 0.000 0.499 95 R N 0.333 120.828 120.500 -0.007 0.000 2.115 95 R HA 0.293 4.633 4.340 -0.001 0.000 0.226 95 R C 1.856 178.149 176.300 -0.012 0.000 1.100 95 R CA 1.048 57.142 56.100 -0.009 0.000 0.980 95 R CB -0.235 30.058 30.300 -0.011 0.000 0.875 95 R HN 0.437 nan 8.270 nan 0.000 0.445 96 L N -1.057 120.159 121.223 -0.011 0.000 2.567 96 L HA 0.265 4.605 4.340 -0.001 0.000 0.225 96 L C 0.795 177.659 176.870 -0.010 0.000 1.119 96 L CA 0.348 55.181 54.840 -0.012 0.000 0.871 96 L CB 0.631 42.683 42.059 -0.012 0.000 1.036 96 L HN 0.446 nan 8.230 nan 0.000 0.459 97 G N 1.009 109.804 108.800 -0.009 0.000 2.225 97 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.264 97 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.264 97 G C -0.221 174.675 174.900 -0.008 0.000 1.060 97 G CA 0.126 45.222 45.100 -0.007 0.000 0.833 97 G HN 0.228 nan 8.290 nan 0.000 0.498 98 L N -0.264 120.954 121.223 -0.008 0.000 2.283 98 L HA 0.808 5.148 4.340 -0.001 0.000 0.259 98 L C 1.004 177.868 176.870 -0.011 0.000 1.027 98 L CA -0.668 54.167 54.840 -0.010 0.000 0.828 98 L CB 1.957 44.009 42.059 -0.011 0.000 1.380 98 L HN 0.340 nan 8.230 nan 0.000 0.425 99 S N -0.456 115.236 115.700 -0.013 0.000 2.693 99 S HA 0.369 4.838 4.470 -0.001 0.000 0.276 99 S C 0.818 175.406 174.600 -0.021 0.000 1.192 99 S CA -0.713 57.479 58.200 -0.014 0.000 0.994 99 S CB 1.113 64.305 63.200 -0.012 0.000 1.012 99 S HN 0.398 nan 8.310 nan 0.000 0.550 100 L N 1.526 122.737 121.223 -0.020 0.000 2.012 100 L HA -0.016 4.324 4.340 -0.001 0.000 0.210 100 L C 3.314 180.153 176.870 -0.051 0.000 1.073 100 L CA 2.580 57.403 54.840 -0.029 0.000 0.748 100 L CB -2.124 39.925 42.059 -0.017 0.000 0.891 100 L HN 1.027 nan 8.230 nan 0.000 0.431 101 E N -0.357 119.818 120.200 -0.041 0.000 2.118 101 E HA -0.190 4.160 4.350 -0.001 0.000 0.195 101 E C 2.316 178.882 176.600 -0.057 0.000 0.992 101 E CA 1.677 58.047 56.400 -0.049 0.000 0.804 101 E CB -0.981 28.703 29.700 -0.028 0.000 0.741 101 E HN 0.567 nan 8.360 nan 0.000 0.458 102 A N 0.255 123.050 122.820 -0.041 0.000 1.873 102 A HA 0.044 4.364 4.320 -0.001 0.000 0.215 102 A C 2.740 180.299 177.584 -0.041 0.000 1.186 102 A CA 1.754 53.771 52.037 -0.033 0.000 0.616 102 A CB -0.504 18.484 19.000 -0.020 0.000 0.823 102 A HN 0.489 nan 8.150 nan 0.000 0.442 103 V N 0.440 120.323 119.914 -0.052 0.000 2.343 103 V HA -0.278 3.841 4.120 -0.001 0.000 0.247 103 V C 2.438 178.462 176.094 -0.116 0.000 1.051 103 V CA 2.315 64.584 62.300 -0.053 0.000 1.036 103 V CB -0.704 31.089 31.823 -0.050 0.000 0.654 103 V HN 0.527 nan 8.190 nan 0.000 0.451 104 K N 0.245 120.505 120.400 -0.233 0.000 2.057 104 K HA -0.105 4.215 4.320 -0.001 0.000 0.207 104 K C 2.327 178.770 176.600 -0.262 0.000 1.049 104 K CA 1.458 57.448 56.287 -0.495 0.000 0.931 104 K CB -0.383 31.810 32.500 -0.511 0.000 0.714 104 K HN 0.481 nan 8.250 nan 0.000 0.440 105 A N 1.648 124.397 122.820 -0.119 0.000 1.873 105 A HA -0.109 4.211 4.320 -0.001 0.000 0.215 105 A C 2.180 179.769 177.584 0.009 0.000 1.186 105 A CA 1.108 53.122 52.037 -0.038 0.000 0.616 105 A CB -0.655 18.331 19.000 -0.024 0.000 0.823 105 A HN 0.131 nan 8.150 nan 0.000 0.442 106 L N -1.308 119.924 121.223 0.014 0.000 2.012 106 L HA -0.236 4.103 4.340 -0.001 0.000 0.210 106 L C 2.738 179.676 176.870 0.114 0.000 1.073 106 L CA 1.769 56.639 54.840 0.050 0.000 0.748 106 L CB -0.688 41.398 42.059 0.045 0.000 0.891 106 L HN 0.608 nan 8.230 nan 0.000 0.431 107 H N 0.178 119.271 119.070 0.038 0.000 2.457 107 H HA -0.135 4.421 4.556 -0.001 0.000 0.294 107 H C 1.871 177.367 175.328 0.280 0.000 1.064 107 H CA 1.364 57.492 56.048 0.135 0.000 1.330 107 H CB 0.376 30.164 29.762 0.044 0.000 1.395 107 H HN 0.489 nan 8.280 nan 0.000 0.541 108 Q N -0.003 119.930 119.800 0.222 0.000 2.425 108 Q HA -0.019 4.321 4.340 -0.001 0.000 0.204 108 Q C 2.127 178.239 176.000 0.188 0.000 0.933 108 Q CA 0.011 55.980 55.803 0.276 0.000 0.939 108 Q CB 0.550 29.426 28.738 0.230 0.000 1.044 108 Q HN 0.327 nan 8.270 nan 0.000 0.513 109 K N 0.939 121.399 120.400 0.100 0.000 1.991 109 K HA -0.016 4.304 4.320 -0.001 0.000 0.207 109 K C -1.461 175.117 176.600 -0.037 0.000 1.045 109 K CA 0.572 56.877 56.287 0.029 0.000 0.937 109 K CB -0.606 31.897 32.500 0.004 0.000 0.720 109 K HN 0.119 nan 8.250 nan 0.000 0.438 110 P HA 0.032 nan 4.420 nan 0.000 0.274 110 P C -1.089 176.020 177.300 -0.318 0.000 1.231 110 P CA -0.305 62.584 63.100 -0.350 0.000 0.790 110 P CB 0.532 31.816 31.700 -0.693 0.000 0.951 111 L N 3.776 124.892 121.223 -0.180 0.000 2.312 111 L HA 0.266 4.606 4.340 -0.001 0.000 0.287 111 L C -0.738 176.094 176.870 -0.063 0.000 1.091 111 L CA -0.394 54.413 54.840 -0.054 0.000 0.846 111 L CB -1.315 40.738 42.059 -0.011 0.000 1.219 111 L HN 0.190 nan 8.230 nan 0.000 0.439 112 Y N 4.668 125.029 120.300 0.101 0.000 2.258 112 Y HA 0.509 5.059 4.550 -0.001 0.000 0.345 112 Y C 0.724 176.690 175.900 0.111 0.000 1.303 112 Y CA -0.143 58.047 58.100 0.151 0.000 1.537 112 Y CB 0.545 39.141 38.460 0.226 0.000 1.383 112 Y HN 0.573 nan 8.280 nan 0.000 0.606 113 R N -1.454 119.243 120.500 0.329 0.000 2.698 113 R HA 0.684 5.024 4.340 -0.001 0.000 0.275 113 R C -2.257 174.147 176.300 0.174 0.000 1.001 113 R CA -1.040 55.147 56.100 0.144 0.000 0.896 113 R CB 0.996 31.275 30.300 -0.034 0.000 1.218 113 R HN 0.330 nan 8.270 nan 0.000 0.462 114 V N 3.984 123.946 119.914 0.080 0.000 2.381 114 V HA 0.042 4.162 4.120 -0.001 0.000 0.257 114 V C 0.216 176.326 176.094 0.027 0.000 1.057 114 V CA 0.042 62.410 62.300 0.112 0.000 1.013 114 V CB -0.562 31.299 31.823 0.065 0.000 1.069 114 V HN 0.713 nan 8.190 nan 0.000 0.484 115 Y N 3.175 123.517 120.300 0.071 0.000 2.337 115 Y HA 0.311 4.861 4.550 -0.000 0.000 0.293 115 Y C 1.322 177.080 175.900 -0.237 0.000 1.123 115 Y CA 1.130 59.199 58.100 -0.053 0.000 1.201 115 Y CB 0.318 38.773 38.460 -0.010 0.000 1.011 115 Y HN 0.659 nan 8.280 nan 0.000 0.545 116 A N -0.421 122.385 122.820 -0.022 0.000 2.572 116 A HA 0.659 4.979 4.320 -0.001 0.000 0.295 116 A C -2.185 175.368 177.584 -0.051 0.000 1.072 116 A CA -0.588 51.401 52.037 -0.080 0.000 0.691 116 A CB 1.430 20.351 19.000 -0.131 0.000 1.291 116 A HN 0.045 nan 8.150 nan 0.000 0.404 117 L N 0.894 122.058 121.223 -0.098 0.000 2.470 117 L HA 0.753 5.092 4.340 -0.001 0.000 0.268 117 L C 0.400 177.167 176.870 -0.170 0.000 0.964 117 L CA 1.309 56.068 54.840 -0.136 0.000 0.839 117 L CB 2.131 44.142 42.059 -0.081 0.000 1.276 117 L HN 1.998 nan 8.230 nan 0.000 0.403 118 G N 3.186 111.861 108.800 -0.209 0.000 2.189 118 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.113 118 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.113 118 G C 0.343 175.120 174.900 -0.205 0.000 1.038 118 G CA 0.183 45.181 45.100 -0.170 0.000 0.704 118 G HN 0.657 nan 8.290 nan 0.000 0.490 119 F N 1.904 121.550 119.950 -0.507 0.000 2.095 119 F HA 0.107 4.634 4.527 -0.001 0.000 0.298 119 F C 1.889 177.524 175.800 -0.275 0.000 1.104 119 F CA 2.610 60.324 58.000 -0.477 0.000 1.232 119 F CB 0.191 38.667 39.000 -0.874 0.000 0.987 119 F HN 0.440 nan 8.300 nan 0.000 0.475 120 T N -2.157 112.401 114.554 0.005 0.000 2.942 120 T HA 0.466 4.815 4.350 -0.001 0.000 0.289 120 T C -2.828 171.835 174.700 -0.061 0.000 1.044 120 T CA -2.569 59.525 62.100 -0.009 0.000 1.023 120 T CB 1.700 70.638 68.868 0.117 0.000 1.123 120 T HN -0.295 nan 8.240 nan 0.000 0.512 121 P HA 0.223 nan 4.420 nan 0.000 0.256 121 P C 1.086 178.212 177.300 -0.290 0.000 1.173 121 P CA 1.559 64.493 63.100 -0.277 0.000 0.768 121 P CB -0.095 31.256 31.700 -0.582 0.000 0.758 122 G N 3.073 111.923 108.800 0.083 0.000 2.176 122 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.253 122 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.253 122 G C 0.026 175.002 174.900 0.126 0.000 0.979 122 G CA -0.597 44.658 45.100 0.258 0.000 0.641 122 G HN 0.498 nan 8.290 nan 0.000 0.530 123 F N 4.524 124.390 119.950 -0.140 0.000 2.494 123 F HA 0.502 5.029 4.527 -0.000 0.000 0.369 123 F C -1.625 173.974 175.800 -0.335 0.000 1.098 123 F CA -2.747 55.102 58.000 -0.251 0.000 1.154 123 F CB 0.875 39.655 39.000 -0.367 0.000 1.103 123 F HN 0.027 nan 8.300 nan 0.000 0.549 124 P HA 0.190 nan 4.420 nan 0.000 0.294 124 P C -1.164 176.280 177.300 0.241 0.000 1.294 124 P CA -0.323 62.849 63.100 0.119 0.000 0.827 124 P CB 0.785 32.561 31.700 0.127 0.000 0.992 125 F N 3.025 123.119 119.950 0.240 0.000 2.371 125 F HA 0.382 4.909 4.527 -0.000 0.000 0.363 125 F C 0.574 176.577 175.800 0.338 0.000 1.122 125 F CA -0.589 57.583 58.000 0.288 0.000 1.129 125 F CB 0.260 39.398 39.000 0.231 0.000 1.173 125 F HN 0.055 nan 8.300 nan 0.000 0.489 126 L N 3.183 124.750 121.223 0.575 0.000 2.331 126 L HA 0.926 5.266 4.340 -0.001 0.000 0.275 126 L C -0.036 177.160 176.870 0.543 0.000 1.022 126 L CA -0.716 54.430 54.840 0.510 0.000 0.812 126 L CB 1.753 44.037 42.059 0.375 0.000 1.257 126 L HN 0.679 nan 8.230 nan 0.000 0.435 127 A N 1.749 124.964 122.820 0.657 0.000 2.609 127 A HA 0.712 5.032 4.320 -0.001 0.000 0.291 127 A C -1.462 176.449 177.584 0.546 0.000 1.096 127 A CA -0.669 51.688 52.037 0.534 0.000 0.684 127 A CB 1.537 20.631 19.000 0.156 0.000 1.282 127 A HN 0.672 nan 8.150 nan 0.000 0.412 128 E N 0.165 120.534 120.200 0.282 0.000 2.191 128 E HA 0.521 4.871 4.350 -0.001 0.000 0.274 128 E C -0.890 175.815 176.600 0.175 0.000 0.948 128 E CA -0.886 55.628 56.400 0.189 0.000 0.802 128 E CB 2.193 31.944 29.700 0.085 0.000 1.137 128 E HN 0.386 nan 8.360 nan 0.000 0.397 129 V N 2.975 123.029 119.914 0.232 0.000 2.686 129 V HA 0.003 4.123 4.120 -0.001 0.000 0.295 129 V C 0.517 176.660 176.094 0.082 0.000 1.055 129 V CA -0.401 62.034 62.300 0.226 0.000 1.050 129 V CB 0.913 32.846 31.823 0.183 0.000 0.984 129 V HN 0.611 nan 8.190 nan 0.000 0.482 130 E N 5.406 125.641 120.200 0.059 0.000 2.384 130 E HA 0.068 4.418 4.350 -0.001 0.000 0.266 130 E C -1.546 175.065 176.600 0.018 0.000 1.012 130 E CA -1.522 54.890 56.400 0.020 0.000 0.901 130 E CB 0.689 30.398 29.700 0.015 0.000 0.967 130 E HN 0.390 nan 8.360 nan 0.000 0.435 131 P HA -0.274 nan 4.420 nan 0.000 0.219 131 P C 1.040 178.337 177.300 -0.004 0.000 1.158 131 P CA 2.368 65.466 63.100 -0.005 0.000 0.895 131 P CB 0.131 31.826 31.700 -0.007 0.000 0.792 132 A N -1.688 121.132 122.820 0.001 0.000 2.070 132 A HA -0.131 4.189 4.320 -0.001 0.000 0.220 132 A C 1.960 179.546 177.584 0.004 0.000 1.159 132 A CA 1.219 53.256 52.037 -0.000 0.000 0.656 132 A CB -1.215 17.785 19.000 0.001 0.000 0.800 132 A HN 0.203 nan 8.150 nan 0.000 0.453 133 L N -0.783 120.450 121.223 0.016 0.000 2.640 133 L HA 0.277 4.617 4.340 -0.001 0.000 0.230 133 L C 0.663 177.539 176.870 0.011 0.000 1.123 133 L CA 0.014 54.871 54.840 0.027 0.000 0.900 133 L CB -0.231 41.870 42.059 0.071 0.000 1.146 133 L HN 0.195 nan 8.230 nan 0.000 0.484 134 R N 0.619 121.115 120.500 -0.007 0.000 2.401 134 R HA 0.447 4.787 4.340 -0.001 0.000 0.299 134 R C -1.157 175.110 176.300 -0.056 0.000 1.064 134 R CA -0.168 55.908 56.100 -0.039 0.000 1.000 134 R CB 0.612 30.885 30.300 -0.044 0.000 0.973 134 R HN 0.070 nan 8.270 nan 0.000 0.438 135 L N 5.328 126.500 121.223 -0.085 0.000 2.526 135 L HA 0.446 4.786 4.340 -0.001 0.000 0.263 135 L C -2.672 174.121 176.870 -0.129 0.000 0.943 135 L CA -2.169 52.619 54.840 -0.085 0.000 0.859 135 L CB 2.237 44.259 42.059 -0.061 0.000 1.313 135 L HN 0.387 nan 8.230 nan 0.000 0.406 136 P HA 0.333 nan 4.420 nan 0.000 0.270 136 P C -0.327 176.885 177.300 -0.146 0.000 1.227 136 P CA -0.044 62.972 63.100 -0.139 0.000 0.788 136 P CB 0.282 31.925 31.700 -0.096 0.000 0.926 137 R N 1.730 122.127 120.500 -0.173 0.000 2.893 137 R HA 0.121 4.461 4.340 -0.001 0.000 0.279 137 R C 0.672 176.950 176.300 -0.037 0.000 1.076 137 R CA 0.330 56.357 56.100 -0.121 0.000 1.203 137 R CB -0.908 29.339 30.300 -0.088 0.000 1.137 137 R HN 0.513 nan 8.270 nan 0.000 0.541 138 K N 0.711 121.124 120.400 0.022 0.000 2.168 138 K HA 0.182 4.501 4.320 -0.001 0.000 0.258 138 K C -1.361 175.239 176.600 0.000 0.000 1.010 138 K CA -1.062 55.242 56.287 0.028 0.000 0.929 138 K CB 0.987 33.530 32.500 0.071 0.000 0.998 138 K HN 0.524 nan 8.250 nan 0.000 0.479 139 P HA -0.087 nan 4.420 nan 0.000 0.214 139 P C -0.294 176.850 177.300 -0.260 0.000 1.162 139 P CA 1.314 64.318 63.100 -0.161 0.000 0.874 139 P CB 0.246 31.835 31.700 -0.185 0.000 0.784 140 H N -0.316 118.784 119.070 0.050 0.000 2.466 140 H HA 0.319 4.874 4.556 -0.001 0.000 0.338 140 H C -2.107 173.262 175.328 0.068 0.000 1.091 140 H CA -2.096 53.987 56.048 0.057 0.000 1.207 140 H CB 1.067 30.855 29.762 0.043 0.000 1.466 140 H HN 0.126 nan 8.280 nan 0.000 0.493 141 P HA 0.229 nan 4.420 nan 0.000 0.281 141 P C -0.119 177.257 177.300 0.126 0.000 1.249 141 P CA -0.679 62.514 63.100 0.155 0.000 0.810 141 P CB 1.566 33.361 31.700 0.157 0.000 1.008 142 R N 2.758 123.314 120.500 0.092 0.000 2.537 142 R HA 0.092 4.432 4.340 -0.001 0.000 0.280 142 R C -1.162 175.176 176.300 0.062 0.000 1.058 142 R CA -1.076 55.058 56.100 0.057 0.000 1.057 142 R CB -0.031 30.281 30.300 0.019 0.000 0.973 142 R HN 0.437 nan 8.270 nan 0.000 0.438 143 P HA -0.135 nan 4.420 nan 0.000 0.221 143 P C -0.090 177.240 177.300 0.051 0.000 1.150 143 P CA 1.242 64.377 63.100 0.059 0.000 0.800 143 P CB 0.384 32.110 31.700 0.044 0.000 0.787 144 R N 0.313 120.827 120.500 0.024 0.000 2.507 144 R HA 0.403 4.743 4.340 -0.001 0.000 0.298 144 R C -1.554 174.717 176.300 -0.048 0.000 1.087 144 R CA -0.525 55.578 56.100 0.004 0.000 0.917 144 R CB 1.635 31.936 30.300 0.001 0.000 1.173 144 R HN -0.230 nan 8.270 nan 0.000 0.472 145 V N 6.736 126.587 119.914 -0.105 0.000 2.465 145 V HA 0.366 4.485 4.120 -0.001 0.000 0.279 145 V C -1.719 174.235 176.094 -0.234 0.000 1.045 145 V CA -1.650 60.488 62.300 -0.270 0.000 0.938 145 V CB 1.396 32.814 31.823 -0.675 0.000 0.986 145 V HN 0.708 nan 8.190 nan 0.000 0.467 146 P HA 0.249 nan 4.420 nan 0.000 0.274 146 P C -0.421 176.783 177.300 -0.161 0.000 1.246 146 P CA -0.267 62.753 63.100 -0.133 0.000 0.795 146 P CB 0.809 32.453 31.700 -0.093 0.000 1.006 147 A N 1.690 124.403 122.820 -0.179 0.000 2.466 147 A HA 0.128 4.447 4.320 -0.001 0.000 0.238 147 A C 0.656 178.038 177.584 -0.337 0.000 1.074 147 A CA 0.220 52.046 52.037 -0.352 0.000 0.774 147 A CB -0.957 17.684 19.000 -0.598 0.000 1.015 147 A HN 0.848 nan 8.150 nan 0.000 0.498 148 H N -1.800 117.277 119.070 0.011 0.000 3.415 148 H HA -0.200 4.356 4.556 -0.000 0.000 0.213 148 H C 0.620 175.944 175.328 -0.006 0.000 1.091 148 H CA 0.753 56.800 56.048 -0.002 0.000 1.182 148 H CB -2.273 27.484 29.762 -0.008 0.000 1.160 148 H HN 1.272 nan 8.280 nan 0.000 0.319 149 A N 1.344 124.194 122.820 0.050 0.000 2.488 149 A HA 0.455 4.774 4.320 -0.001 0.000 0.249 149 A C 0.750 178.393 177.584 0.097 0.000 1.083 149 A CA 0.154 52.195 52.037 0.007 0.000 0.768 149 A CB 0.617 19.518 19.000 -0.165 0.000 1.017 149 A HN 0.142 nan 8.150 nan 0.000 0.496 150 V N 2.534 122.472 119.914 0.040 0.000 2.350 150 V HA 0.613 4.733 4.120 -0.001 0.000 0.276 150 V C 0.574 176.693 176.094 0.041 0.000 1.028 150 V CA 0.311 62.636 62.300 0.041 0.000 0.860 150 V CB 0.583 32.344 31.823 -0.103 0.000 0.990 150 V HN 1.202 nan 8.190 nan 0.000 0.453 151 A N 4.799 127.750 122.820 0.218 0.000 2.479 151 A HA 1.006 5.325 4.320 -0.001 0.000 0.296 151 A C -0.679 177.137 177.584 0.387 0.000 1.121 151 A CA -0.603 51.609 52.037 0.292 0.000 0.743 151 A CB 2.323 21.603 19.000 0.466 0.000 1.323 151 A HN 1.338 nan 8.150 nan 0.000 0.415 152 V N -2.943 117.115 119.914 0.241 0.000 2.823 152 V HA 0.973 5.092 4.120 -0.001 0.000 0.312 152 V C -0.302 175.632 176.094 -0.266 0.000 1.072 152 V CA -0.337 61.998 62.300 0.059 0.000 0.937 152 V CB 1.314 33.161 31.823 0.040 0.000 1.013 152 V HN 2.162 nan 8.190 nan 0.000 0.430 153 A N 2.397 124.788 122.820 -0.714 0.000 2.530 153 A HA 0.882 5.201 4.320 -0.001 0.000 0.279 153 A C 0.598 177.804 177.584 -0.629 0.000 1.109 153 A CA 0.322 51.812 52.037 -0.911 0.000 0.763 153 A CB 0.708 18.535 19.000 -1.954 0.000 1.257 153 A HN 2.780 nan 8.150 nan 0.000 0.424 154 G N 0.710 109.296 108.800 -0.356 0.000 2.622 154 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.307 154 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.307 154 G C 1.266 176.060 174.900 -0.177 0.000 1.226 154 G CA 0.965 45.921 45.100 -0.239 0.000 0.997 154 G HN 1.877 nan 8.290 nan 0.000 0.551 155 V N 2.366 122.183 119.914 -0.161 0.000 3.573 155 V HA 0.253 4.372 4.120 -0.001 0.000 0.270 155 V C 1.238 177.312 176.094 -0.034 0.000 1.221 155 V CA 2.343 64.594 62.300 -0.082 0.000 1.163 155 V CB -0.414 31.354 31.823 -0.092 0.000 0.847 155 V HN 0.530 nan 8.190 nan 0.000 0.468 156 Q N -0.464 119.263 119.800 -0.122 0.000 2.241 156 Q HA 0.528 4.867 4.340 -0.001 0.000 0.262 156 Q C -0.502 175.531 176.000 0.055 0.000 1.014 156 Q CA -0.249 55.552 55.803 -0.004 0.000 0.885 156 Q CB 2.164 30.870 28.738 -0.053 0.000 1.311 156 Q HN 0.296 nan 8.270 nan 0.000 0.461 157 T N -0.715 114.033 114.554 0.323 0.000 2.916 157 T HA 0.765 5.115 4.350 -0.001 0.000 0.305 157 T C -1.208 173.882 174.700 0.650 0.000 1.119 157 T CA -0.393 61.961 62.100 0.423 0.000 1.008 157 T CB 1.608 70.553 68.868 0.129 0.000 1.129 157 T HN 0.739 nan 8.240 nan 0.000 0.480 158 G N 1.981 111.186 108.800 0.675 0.000 2.695 158 G HA2 0.731 4.691 3.960 -0.001 0.000 0.290 158 G HA3 0.731 4.691 3.960 -0.001 0.000 0.290 158 G C -1.666 173.365 174.900 0.218 0.000 1.410 158 G CA -0.723 44.693 45.100 0.526 0.000 0.844 158 G HN 0.846 nan 8.290 nan 0.000 0.478 159 I N 0.398 120.884 120.570 -0.140 0.000 2.447 159 I HA 0.249 4.419 4.170 -0.001 0.000 0.287 159 I C -1.141 174.428 176.117 -0.915 0.000 1.023 159 I CA -0.739 60.414 61.300 -0.245 0.000 1.083 159 I CB 2.116 40.093 38.000 -0.037 0.000 1.245 159 I HN 0.412 nan 8.210 nan 0.000 0.434 160 Y N 7.485 127.345 120.300 -0.733 0.000 2.539 160 Y HA 0.167 4.717 4.550 -0.001 0.000 0.352 160 Y C -1.532 174.137 175.900 -0.386 0.000 1.004 160 Y CA -1.454 56.198 58.100 -0.747 0.000 1.278 160 Y CB 0.562 38.829 38.460 -0.323 0.000 1.136 160 Y HN 0.463 nan 8.280 nan 0.000 0.528 161 P HA -0.062 nan 4.420 nan 0.000 0.222 161 P C -0.424 176.852 177.300 -0.039 0.000 1.153 161 P CA 1.317 64.404 63.100 -0.020 0.000 0.798 161 P CB 0.685 32.417 31.700 0.053 0.000 0.796 162 L N -2.711 118.505 121.223 -0.011 0.000 2.409 162 L HA 0.485 4.825 4.340 -0.001 0.000 0.255 162 L C -2.687 174.214 176.870 0.051 0.000 1.027 162 L CA -2.968 51.867 54.840 -0.009 0.000 0.834 162 L CB 2.197 44.293 42.059 0.061 0.000 1.426 162 L HN -0.435 nan 8.230 nan 0.000 0.411 163 P HA 0.119 nan 4.420 nan 0.000 0.265 163 P C -1.094 176.285 177.300 0.132 0.000 1.193 163 P CA 0.067 63.196 63.100 0.048 0.000 0.765 163 P CB 0.780 32.489 31.700 0.013 0.000 0.823 164 S N 2.160 117.971 115.700 0.186 0.000 2.611 164 S HA 0.695 5.164 4.470 -0.001 0.000 0.268 164 S C -3.271 171.459 174.600 0.218 0.000 1.156 164 S CA -1.708 56.635 58.200 0.237 0.000 0.817 164 S CB 1.107 64.520 63.200 0.355 0.000 1.122 164 S HN 0.038 nan 8.310 nan 0.000 0.466 165 P HA 0.627 nan 4.420 nan 0.000 0.274 165 P C -0.106 177.323 177.300 0.214 0.000 1.246 165 P CA 0.058 63.259 63.100 0.169 0.000 0.795 165 P CB 0.537 32.336 31.700 0.164 0.000 1.006 166 G N -1.153 107.739 108.800 0.154 0.000 2.498 166 G HA2 0.456 4.415 3.960 -0.001 0.000 0.301 166 G HA3 0.456 4.415 3.960 -0.001 0.000 0.301 166 G C -0.288 174.715 174.900 0.172 0.000 1.577 166 G CA -0.253 44.954 45.100 0.179 0.000 0.868 166 G HN 0.567 nan 8.290 nan 0.000 0.599 167 G N -0.439 108.508 108.800 0.246 0.000 3.519 167 G HA2 0.372 4.331 3.960 -0.001 0.000 0.269 167 G HA3 0.372 4.331 3.960 -0.001 0.000 0.269 167 G C -0.048 175.064 174.900 0.353 0.000 1.028 167 G CA -0.455 44.794 45.100 0.248 0.000 0.809 167 G HN 0.388 nan 8.290 nan 0.000 0.521 168 W N 1.544 122.898 121.300 0.090 0.000 2.184 168 W HA 0.340 4.999 4.660 -0.001 0.000 0.338 168 W C 0.265 176.821 176.519 0.062 0.000 1.257 168 W CA -1.305 56.093 57.345 0.089 0.000 1.243 168 W CB 0.308 29.876 29.460 0.181 0.000 1.122 168 W HN -0.051 nan 8.180 nan 0.000 0.585 169 N N 3.464 122.280 118.700 0.193 0.000 2.416 169 N HA 0.085 4.824 4.740 -0.001 0.000 0.265 169 N C -0.596 174.980 175.510 0.109 0.000 1.195 169 N CA -0.006 53.104 53.050 0.100 0.000 0.943 169 N CB 0.432 38.935 38.487 0.025 0.000 1.115 169 N HN 0.165 nan 8.380 nan 0.000 0.481 170 L N 3.522 124.791 121.223 0.076 0.000 2.315 170 L HA 0.162 4.502 4.340 -0.001 0.000 0.283 170 L C 1.560 178.435 176.870 0.008 0.000 1.089 170 L CA -0.153 54.711 54.840 0.041 0.000 0.833 170 L CB 0.653 42.711 42.059 -0.002 0.000 1.170 170 L HN 0.420 nan 8.230 nan 0.000 0.442 171 L N 2.827 124.037 121.223 -0.021 0.000 2.537 171 L HA 0.418 4.758 4.340 -0.001 0.000 0.224 171 L C 1.001 177.857 176.870 -0.024 0.000 1.065 171 L CA 0.226 55.048 54.840 -0.030 0.000 0.860 171 L CB 0.249 42.239 42.059 -0.115 0.000 1.086 171 L HN 0.779 nan 8.230 nan 0.000 0.482 172 G N -0.858 107.873 108.800 -0.115 0.000 2.490 172 G HA2 0.405 4.365 3.960 -0.001 0.000 0.308 172 G HA3 0.405 4.365 3.960 -0.001 0.000 0.308 172 G C -1.466 173.351 174.900 -0.138 0.000 1.286 172 G CA -0.284 44.712 45.100 -0.174 0.000 0.825 172 G HN -0.241 nan 8.290 nan 0.000 0.479 173 T N 0.516 114.987 114.554 -0.138 0.000 2.840 173 T HA 0.567 4.917 4.350 -0.001 0.000 0.287 173 T C 0.035 174.706 174.700 -0.047 0.000 0.991 173 T CA -0.207 61.864 62.100 -0.049 0.000 0.964 173 T CB 1.445 70.303 68.868 -0.017 0.000 0.954 173 T HN 0.780 nan 8.240 nan 0.000 0.438 174 S N 2.679 118.390 115.700 0.018 0.000 2.533 174 S HA 0.177 4.647 4.470 -0.001 0.000 0.282 174 S C 1.085 175.650 174.600 -0.058 0.000 1.304 174 S CA -0.588 57.622 58.200 0.016 0.000 1.063 174 S CB -0.090 63.149 63.200 0.066 0.000 0.881 174 S HN 0.626 nan 8.310 nan 0.000 0.493 175 L N 5.038 126.226 121.223 -0.059 0.000 2.627 175 L HA 0.326 4.666 4.340 -0.001 0.000 0.232 175 L C 0.236 177.033 176.870 -0.121 0.000 1.150 175 L CA -0.110 54.678 54.840 -0.086 0.000 0.917 175 L CB 0.166 42.199 42.059 -0.045 0.000 1.104 175 L HN 0.445 nan 8.230 nan 0.000 0.445 176 V N -0.042 119.789 119.914 -0.139 0.000 2.733 176 V HA 0.658 4.778 4.120 -0.001 0.000 0.306 176 V C -0.487 175.502 176.094 -0.176 0.000 1.084 176 V CA -0.701 61.515 62.300 -0.140 0.000 0.905 176 V CB 1.986 33.767 31.823 -0.069 0.000 1.010 176 V HN 0.041 nan 8.190 nan 0.000 0.424 177 A N 5.323 128.027 122.820 -0.195 0.000 2.396 177 A HA 0.468 4.788 4.320 -0.001 0.000 0.279 177 A C 1.155 178.757 177.584 0.029 0.000 1.165 177 A CA 0.348 52.338 52.037 -0.078 0.000 0.824 177 A CB 0.708 19.699 19.000 -0.015 0.000 1.100 177 A HN 1.926 nan 8.150 nan 0.000 0.516 178 V N 1.489 121.463 119.914 0.099 0.000 2.515 178 V HA -0.032 4.088 4.120 -0.001 0.000 0.250 178 V C 0.717 176.897 176.094 0.143 0.000 1.058 178 V CA 1.357 63.718 62.300 0.101 0.000 1.064 178 V CB -1.128 30.754 31.823 0.098 0.000 0.675 178 V HN 0.777 nan 8.190 nan 0.000 0.461 179 Y N 1.278 121.573 120.300 -0.009 0.000 2.376 179 Y HA 0.667 5.217 4.550 -0.000 0.000 0.340 179 Y C -1.251 174.586 175.900 -0.105 0.000 0.965 179 Y CA -1.734 56.295 58.100 -0.119 0.000 1.078 179 Y CB 1.754 40.149 38.460 -0.109 0.000 1.193 179 Y HN 0.314 nan 8.280 nan 0.000 0.452 180 D N 8.296 128.210 120.400 -0.809 0.000 2.333 180 D HA 0.239 4.879 4.640 -0.001 0.000 0.225 180 D C -2.569 173.353 176.300 -0.630 0.000 1.345 180 D CA -1.716 51.906 54.000 -0.629 0.000 0.971 180 D CB 2.022 42.676 40.800 -0.244 0.000 1.451 180 D HN 0.317 nan 8.370 nan 0.000 0.561 181 P HA -0.074 nan 4.420 nan 0.000 0.226 181 P C 0.973 178.039 177.300 -0.390 0.000 1.153 181 P CA 0.747 63.483 63.100 -0.607 0.000 0.777 181 P CB 0.184 31.367 31.700 -0.861 0.000 0.794 182 H N -0.950 117.966 119.070 -0.257 0.000 2.502 182 H HA 0.104 4.660 4.556 -0.001 0.000 0.283 182 H C 1.258 176.536 175.328 -0.085 0.000 1.015 182 H CA 0.247 56.211 56.048 -0.140 0.000 1.298 182 H CB 0.189 29.875 29.762 -0.125 0.000 1.411 182 H HN 0.127 nan 8.280 nan 0.000 0.556 183 R N 1.011 121.511 120.500 0.000 0.000 2.694 183 R HA 0.029 4.369 4.340 -0.001 0.000 0.268 183 R C 1.647 177.954 176.300 0.013 0.000 1.061 183 R CA 0.713 56.807 56.100 -0.009 0.000 1.133 183 R CB 0.566 30.833 30.300 -0.054 0.000 1.020 183 R HN 0.374 nan 8.270 nan 0.000 0.475 184 E N 1.094 121.304 120.200 0.017 0.000 2.110 184 E HA -0.100 4.250 4.350 -0.001 0.000 0.193 184 E C 0.336 176.957 176.600 0.036 0.000 0.988 184 E CA 1.854 58.270 56.400 0.027 0.000 0.804 184 E CB -0.220 29.492 29.700 0.020 0.000 0.745 184 E HN 0.634 nan 8.360 nan 0.000 0.458 185 T N 1.202 115.774 114.554 0.030 0.000 3.155 185 T HA 0.388 4.738 4.350 -0.001 0.000 0.384 185 T C -2.149 172.573 174.700 0.037 0.000 1.351 185 T CA -0.831 61.301 62.100 0.054 0.000 1.198 185 T CB 1.659 70.560 68.868 0.056 0.000 1.106 185 T HN 0.048 nan 8.240 nan 0.000 0.564 186 P HA -0.089 nan 4.420 nan 0.000 0.216 186 P C 0.033 177.188 177.300 -0.242 0.000 1.157 186 P CA 1.132 64.127 63.100 -0.176 0.000 0.880 186 P CB 0.010 31.621 31.700 -0.148 0.000 0.791 187 F N -1.197 118.835 119.950 0.137 0.000 2.371 187 F HA 0.177 4.703 4.527 -0.001 0.000 0.363 187 F C 1.483 177.332 175.800 0.082 0.000 1.122 187 F CA -0.649 57.441 58.000 0.150 0.000 1.129 187 F CB 0.448 39.526 39.000 0.130 0.000 1.173 187 F HN -0.221 nan 8.300 nan 0.000 0.489 188 L N 3.869 125.210 121.223 0.196 0.000 2.093 188 L HA 0.064 4.404 4.340 -0.001 0.000 0.208 188 L C 0.161 177.101 176.870 0.117 0.000 1.085 188 L CA 1.854 56.764 54.840 0.116 0.000 0.755 188 L CB -0.132 41.968 42.059 0.068 0.000 0.904 188 L HN 0.398 nan 8.230 nan 0.000 0.435 189 L N -0.176 121.136 121.223 0.149 0.000 2.334 189 L HA 0.491 4.831 4.340 -0.001 0.000 0.273 189 L C -0.229 176.704 176.870 0.105 0.000 1.013 189 L CA -0.649 54.253 54.840 0.103 0.000 0.816 189 L CB 1.755 43.860 42.059 0.076 0.000 1.278 189 L HN -0.035 nan 8.230 nan 0.000 0.431 190 R N 1.678 122.211 120.500 0.055 0.000 2.837 190 R HA 0.488 4.827 4.340 -0.001 0.000 0.271 190 R C -2.679 173.628 176.300 0.012 0.000 0.993 190 R CA -2.083 54.028 56.100 0.018 0.000 0.931 190 R CB 1.754 32.070 30.300 0.026 0.000 1.206 190 R HN 0.263 nan 8.270 nan 0.000 0.474 191 P HA -0.017 nan 4.420 nan 0.000 0.264 191 P C 0.555 177.846 177.300 -0.016 0.000 1.193 191 P CA 1.052 64.153 63.100 0.001 0.000 0.763 191 P CB 0.512 32.223 31.700 0.020 0.000 0.810 192 G N 2.049 110.825 108.800 -0.040 0.000 2.241 192 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.244 192 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.244 192 G C 0.085 174.960 174.900 -0.041 0.000 0.998 192 G CA -0.259 44.802 45.100 -0.064 0.000 0.621 192 G HN 0.497 nan 8.290 nan 0.000 0.519 193 D N 1.165 121.557 120.400 -0.012 0.000 2.400 193 D HA 0.393 5.033 4.640 -0.001 0.000 0.238 193 D C 1.004 177.310 176.300 0.011 0.000 1.157 193 D CA 0.255 54.255 54.000 0.002 0.000 0.889 193 D CB 0.452 41.261 40.800 0.015 0.000 1.199 193 D HN 0.227 nan 8.370 nan 0.000 0.436 194 R N 0.608 121.116 120.500 0.013 0.000 2.486 194 R HA 0.599 4.939 4.340 -0.001 0.000 0.286 194 R C -0.616 175.701 176.300 0.028 0.000 0.999 194 R CA -0.894 55.226 56.100 0.033 0.000 0.993 194 R CB 1.224 31.537 30.300 0.021 0.000 1.084 194 R HN 0.130 nan 8.270 nan 0.000 0.487 195 V N 2.562 122.511 119.914 0.059 0.000 2.638 195 V HA 0.446 4.565 4.120 -0.001 0.000 0.306 195 V C -0.236 175.873 176.094 0.024 0.000 1.052 195 V CA -0.914 61.368 62.300 -0.030 0.000 0.885 195 V CB 2.456 34.198 31.823 -0.135 0.000 0.999 195 V HN 0.634 nan 8.190 nan 0.000 0.424 196 R N 3.613 124.082 120.500 -0.053 0.000 2.387 196 R HA 0.613 4.953 4.340 -0.001 0.000 0.314 196 R C -1.524 174.748 176.300 -0.047 0.000 0.958 196 R CA -0.410 55.717 56.100 0.044 0.000 0.846 196 R CB 0.999 31.335 30.300 0.059 0.000 1.147 196 R HN 0.489 nan 8.270 nan 0.000 0.447 197 F N 5.354 125.427 119.950 0.204 0.000 2.384 197 F HA 0.379 4.906 4.527 -0.000 0.000 0.338 197 F C -0.278 175.652 175.800 0.216 0.000 1.103 197 F CA -0.572 57.550 58.000 0.204 0.000 1.157 197 F CB 1.329 40.496 39.000 0.277 0.000 1.167 197 F HN 0.353 nan 8.300 nan 0.000 0.529 198 L N -0.303 121.146 121.223 0.375 0.000 2.455 198 L HA 0.543 4.882 4.340 -0.001 0.000 0.264 198 L C -0.694 176.358 176.870 0.303 0.000 0.968 198 L CA -1.171 53.850 54.840 0.302 0.000 0.827 198 L CB 1.518 43.685 42.059 0.180 0.000 1.317 198 L HN 0.546 nan 8.230 nan 0.000 0.407 199 E N 1.452 121.859 120.200 0.345 0.000 2.415 199 E HA 0.569 4.919 4.350 -0.001 0.000 0.263 199 E C -0.577 176.130 176.600 0.178 0.000 0.995 199 E CA 0.267 56.866 56.400 0.332 0.000 0.915 199 E CB 0.789 30.681 29.700 0.320 0.000 0.951 199 E HN 0.970 nan 8.360 nan 0.000 0.449 200 A N 4.356 127.252 122.820 0.127 0.000 2.593 200 A HA 0.504 4.824 4.320 -0.001 0.000 0.290 200 A C -1.242 176.375 177.584 0.055 0.000 1.126 200 A CA -0.801 51.282 52.037 0.077 0.000 0.695 200 A CB 1.508 20.541 19.000 0.055 0.000 1.290 200 A HN 0.694 nan 8.150 nan 0.000 0.414 201 E N -0.586 119.638 120.200 0.039 0.000 2.212 201 E HA 0.645 4.994 4.350 -0.001 0.000 0.268 201 E C -0.124 176.483 176.600 0.013 0.000 0.902 201 E CA -0.444 55.972 56.400 0.027 0.000 0.779 201 E CB 2.321 32.038 29.700 0.028 0.000 1.172 201 E HN 1.386 nan 8.360 nan 0.000 0.409 202 G N 2.109 110.912 108.800 0.005 0.000 2.336 202 G HA2 0.114 4.074 3.960 -0.001 0.000 0.300 202 G HA3 0.114 4.074 3.960 -0.001 0.000 0.300 202 G C -3.012 171.882 174.900 -0.011 0.000 1.375 202 G CA -1.018 44.079 45.100 -0.005 0.000 0.885 202 G HN 0.369 nan 8.290 nan 0.000 0.599 203 P HA 0.344 nan 4.420 nan 0.000 0.275 203 P C 0.177 177.458 177.300 -0.031 0.000 1.228 203 P CA 0.137 63.226 63.100 -0.018 0.000 0.786 203 P CB 0.673 32.361 31.700 -0.019 0.000 0.927 204 T N 5.037 119.581 114.554 -0.017 0.000 2.902 204 T HA 0.170 4.520 4.350 -0.001 0.000 0.301 204 T C -1.778 172.897 174.700 -0.042 0.000 1.012 204 T CA -0.357 61.733 62.100 -0.015 0.000 1.151 204 T CB -0.537 68.357 68.868 0.044 0.000 0.946 204 T HN 0.425 nan 8.240 nan 0.000 0.542 205 P HA 0.283 nan 4.420 nan 0.000 0.274 205 P C -2.564 174.737 177.300 0.002 0.000 1.237 205 P CA -1.673 61.317 63.100 -0.183 0.000 0.793 205 P CB -0.194 31.261 31.700 -0.408 0.000 0.977 206 P HA 0.209 nan 4.420 nan 0.000 0.276 206 P C -0.339 177.087 177.300 0.210 0.000 1.252 206 P CA -0.206 62.958 63.100 0.106 0.000 0.802 206 P CB 0.843 32.557 31.700 0.023 0.000 1.035 207 E N 1.622 121.900 120.200 0.129 0.000 2.354 207 E HA 0.209 4.559 4.350 -0.001 0.000 0.269 207 E C -1.736 174.883 176.600 0.032 0.000 1.036 207 E CA -1.565 54.879 56.400 0.073 0.000 0.876 207 E CB -0.183 29.524 29.700 0.011 0.000 1.009 207 E HN 0.417 nan 8.360 nan 0.000 0.416 208 P HA 0.098 nan 4.420 nan 0.000 0.275 208 P C -0.686 176.617 177.300 0.005 0.000 1.228 208 P CA 0.006 63.092 63.100 -0.022 0.000 0.786 208 P CB 0.901 32.575 31.700 -0.044 0.000 0.927 209 R N 2.274 122.762 120.500 -0.020 0.000 2.607 209 R HA 0.492 4.832 4.340 -0.001 0.000 0.261 209 R C -2.184 174.212 176.300 0.160 0.000 1.051 209 R CA -2.001 54.124 56.100 0.041 0.000 1.110 209 R CB -0.311 29.992 30.300 0.005 0.000 1.158 209 R HN 0.346 nan 8.270 nan 0.000 0.543 210 P HA -0.055 nan 4.420 nan 0.000 0.266 210 P C -0.917 176.444 177.300 0.103 0.000 1.195 210 P CA -0.107 63.046 63.100 0.089 0.000 0.768 210 P CB 0.404 32.141 31.700 0.062 0.000 0.838 211 L N 3.317 124.441 121.223 -0.166 0.000 2.260 211 L HA 0.204 4.544 4.340 -0.001 0.000 0.289 211 L C 0.187 176.918 176.870 -0.231 0.000 1.057 211 L CA 0.039 54.631 54.840 -0.412 0.000 0.811 211 L CB -0.018 41.578 42.059 -0.772 0.000 1.184 211 L HN 0.311 nan 8.230 nan 0.000 0.429 212 E N 5.322 125.433 120.200 -0.149 0.000 2.360 212 E HA 0.098 4.448 4.350 -0.001 0.000 0.269 212 E C 0.332 176.862 176.600 -0.117 0.000 1.022 212 E CA -0.051 56.267 56.400 -0.137 0.000 0.887 212 E CB 1.126 30.750 29.700 -0.128 0.000 0.990 212 E HN 0.693 nan 8.360 nan 0.000 0.426 213 L N 2.551 123.715 121.223 -0.100 0.000 2.590 213 L HA 0.215 4.554 4.340 -0.001 0.000 0.227 213 L C 0.221 177.066 176.870 -0.042 0.000 1.099 213 L CA 0.140 54.949 54.840 -0.053 0.000 0.872 213 L CB 0.169 42.210 42.059 -0.030 0.000 1.088 213 L HN 0.338 nan 8.230 nan 0.000 0.479 214 L N 1.575 122.758 121.223 -0.067 0.000 2.329 214 L HA 0.457 4.797 4.340 -0.001 0.000 0.279 214 L C -2.167 174.669 176.870 -0.057 0.000 1.014 214 L CA -1.904 52.902 54.840 -0.055 0.000 0.814 214 L CB 1.693 43.712 42.059 -0.066 0.000 1.257 214 L HN -0.183 nan 8.230 nan 0.000 0.424 215 P HA 0.036 nan 4.420 nan 0.000 0.271 215 P C 0.170 177.451 177.300 -0.033 0.000 1.216 215 P CA -0.133 62.950 63.100 -0.029 0.000 0.776 215 P CB 1.312 33.002 31.700 -0.017 0.000 0.881 216 E N 1.912 122.097 120.200 -0.026 0.000 2.072 216 E HA -0.151 4.199 4.350 -0.001 0.000 0.191 216 E C -0.066 176.528 176.600 -0.009 0.000 0.985 216 E CA 1.006 57.395 56.400 -0.019 0.000 0.801 216 E CB 0.258 29.956 29.700 -0.003 0.000 0.750 216 E HN 0.547 nan 8.360 nan 0.000 0.452 217 E N 2.095 122.290 120.200 -0.007 0.000 2.256 217 E HA 0.229 4.579 4.350 -0.001 0.000 0.243 217 E C -2.362 174.232 176.600 -0.011 0.000 0.925 217 E CA -1.894 54.502 56.400 -0.007 0.000 0.748 217 E CB 1.501 31.200 29.700 -0.002 0.000 1.206 217 E HN 0.238 nan 8.360 nan 0.000 0.428 218 P HA 0.033 nan 4.420 nan 0.000 0.274 218 P C 0.282 177.572 177.300 -0.016 0.000 1.237 218 P CA -0.318 62.773 63.100 -0.016 0.000 0.793 218 P CB 1.094 32.782 31.700 -0.020 0.000 0.977 219 R N 1.211 121.702 120.500 -0.015 0.000 2.189 219 R HA 0.105 4.445 4.340 -0.001 0.000 0.218 219 R C 0.461 176.749 176.300 -0.019 0.000 1.074 219 R CA 0.820 56.911 56.100 -0.015 0.000 0.991 219 R CB -0.398 29.895 30.300 -0.012 0.000 0.883 219 R HN 0.327 nan 8.270 nan 0.000 0.457 220 L N 2.154 123.363 121.223 -0.024 0.000 2.556 220 L HA 0.446 4.786 4.340 -0.001 0.000 0.243 220 L C -2.457 174.388 176.870 -0.042 0.000 1.331 220 L CA -2.421 52.400 54.840 -0.032 0.000 0.927 220 L CB 1.947 43.988 42.059 -0.030 0.000 1.219 220 L HN -0.085 nan 8.230 nan 0.000 0.490 221 P HA -0.049 nan 4.420 nan 0.000 0.260 221 P C 0.115 177.366 177.300 -0.081 0.000 1.172 221 P CA 0.448 63.516 63.100 -0.053 0.000 0.760 221 P CB 1.322 32.995 31.700 -0.046 0.000 0.773 222 A N 4.168 126.928 122.820 -0.100 0.000 1.997 222 A HA 0.388 4.708 4.320 -0.001 0.000 0.198 222 A C 0.189 177.628 177.584 -0.242 0.000 1.449 222 A CA 0.844 52.785 52.037 -0.159 0.000 0.908 222 A CB -0.124 18.797 19.000 -0.132 0.000 0.984 222 A HN 0.508 nan 8.150 nan 0.000 0.487 223 L N -2.633 118.485 121.223 -0.175 0.000 2.505 223 L HA 0.812 5.152 4.340 -0.001 0.000 0.259 223 L C -1.136 175.700 176.870 -0.058 0.000 0.952 223 L CA -0.801 53.930 54.840 -0.181 0.000 0.840 223 L CB 1.546 43.462 42.059 -0.238 0.000 1.358 223 L HN 0.033 nan 8.230 nan 0.000 0.409 224 L N 2.423 123.631 121.223 -0.025 0.000 2.295 224 L HA 0.692 5.032 4.340 -0.001 0.000 0.285 224 L C -0.519 176.385 176.870 0.056 0.000 1.035 224 L CA -0.283 54.567 54.840 0.016 0.000 0.806 224 L CB 1.777 43.844 42.059 0.013 0.000 1.214 224 L HN 0.544 nan 8.230 nan 0.000 0.426 225 V N 6.790 126.741 119.914 0.062 0.000 2.370 225 V HA 0.130 4.250 4.120 -0.001 0.000 0.257 225 V C 1.140 177.277 176.094 0.071 0.000 1.064 225 V CA -0.186 62.161 62.300 0.078 0.000 0.975 225 V CB -0.008 31.864 31.823 0.081 0.000 1.067 225 V HN 0.855 nan 8.190 nan 0.000 0.485 226 E N 2.917 123.157 120.200 0.066 0.000 2.015 226 E HA -0.033 4.316 4.350 -0.001 0.000 0.191 226 E C 0.393 177.023 176.600 0.050 0.000 0.991 226 E CA 0.922 57.354 56.400 0.053 0.000 0.802 226 E CB 0.388 30.116 29.700 0.046 0.000 0.759 226 E HN 0.656 nan 8.360 nan 0.000 0.447 227 E N 0.514 120.742 120.200 0.047 0.000 2.266 227 E HA 0.348 4.698 4.350 -0.001 0.000 0.268 227 E C -2.459 174.172 176.600 0.051 0.000 0.879 227 E CA -2.288 54.139 56.400 0.045 0.000 0.762 227 E CB 2.401 32.119 29.700 0.030 0.000 1.199 227 E HN -0.006 nan 8.360 nan 0.000 0.422 228 P HA 0.221 nan 4.420 nan 0.000 0.281 228 P C 0.138 177.472 177.300 0.055 0.000 1.249 228 P CA -0.233 62.913 63.100 0.076 0.000 0.810 228 P CB 1.134 32.907 31.700 0.121 0.000 1.008 229 G N 0.867 109.693 108.800 0.043 0.000 2.494 229 G HA2 0.165 4.125 3.960 -0.001 0.000 0.270 229 G HA3 0.165 4.125 3.960 -0.001 0.000 0.270 229 G C 0.733 175.690 174.900 0.096 0.000 1.423 229 G CA -0.487 44.642 45.100 0.049 0.000 1.055 229 G HN 0.481 nan 8.290 nan 0.000 0.536 230 L N -1.001 120.304 121.223 0.136 0.000 2.005 230 L HA 0.325 4.665 4.340 -0.001 0.000 0.207 230 L C 1.297 178.243 176.870 0.127 0.000 1.072 230 L CA 1.647 56.569 54.840 0.136 0.000 0.744 230 L CB -0.178 41.991 42.059 0.183 0.000 0.895 230 L HN 0.449 nan 8.230 nan 0.000 0.433 231 M N 0.349 120.037 119.600 0.147 0.000 2.295 231 M HA 0.224 4.703 4.480 -0.001 0.000 0.219 231 M C -1.928 174.444 176.300 0.120 0.000 0.981 231 M CA -0.398 54.979 55.300 0.127 0.000 1.019 231 M CB 0.755 33.426 32.600 0.118 0.000 2.528 231 M HN 0.006 nan 8.290 nan 0.000 0.445 232 D N 6.036 126.499 120.400 0.105 0.000 2.313 232 D HA 0.403 5.043 4.640 -0.001 0.000 0.239 232 D C -0.722 175.617 176.300 0.065 0.000 1.142 232 D CA -0.008 54.049 54.000 0.096 0.000 0.847 232 D CB 1.706 42.553 40.800 0.078 0.000 1.082 232 D HN 0.553 nan 8.370 nan 0.000 0.480 233 L N 2.115 123.370 121.223 0.053 0.000 2.333 233 L HA 0.288 4.628 4.340 -0.001 0.000 0.280 233 L C 0.016 176.912 176.870 0.043 0.000 1.004 233 L CA -1.107 53.756 54.840 0.037 0.000 0.820 233 L CB 2.180 44.261 42.059 0.037 0.000 1.247 233 L HN 0.027 nan 8.230 nan 0.000 0.416 234 V N 4.104 124.039 119.914 0.034 0.000 2.637 234 V HA 0.304 4.424 4.120 -0.001 0.000 0.296 234 V C 0.123 176.247 176.094 0.049 0.000 1.046 234 V CA -0.264 62.064 62.300 0.047 0.000 1.066 234 V CB 1.408 33.248 31.823 0.028 0.000 0.968 234 V HN 0.550 nan 8.190 nan 0.000 0.483 235 V N 1.468 121.424 119.914 0.070 0.000 2.971 235 V HA 0.856 4.976 4.120 -0.001 0.000 0.309 235 V C -0.911 175.219 176.094 0.061 0.000 1.130 235 V CA -0.878 61.462 62.300 0.066 0.000 0.964 235 V CB 2.117 33.996 31.823 0.093 0.000 1.029 235 V HN 0.825 nan 8.190 nan 0.000 0.427 236 D N 2.310 122.736 120.400 0.043 0.000 2.668 236 D HA 0.498 5.137 4.640 -0.001 0.000 0.249 236 D C 1.404 177.728 176.300 0.040 0.000 1.150 236 D CA 0.145 54.171 54.000 0.043 0.000 1.090 236 D CB 0.876 41.704 40.800 0.047 0.000 1.244 236 D HN 0.799 nan 8.370 nan 0.000 0.636 237 G N -1.705 107.137 108.800 0.070 0.000 2.499 237 G HA2 0.311 4.271 3.960 -0.001 0.000 0.221 237 G HA3 0.311 4.271 3.960 -0.001 0.000 0.221 237 G C 0.934 175.870 174.900 0.060 0.000 1.109 237 G CA 0.910 46.081 45.100 0.118 0.000 0.749 237 G HN 1.130 nan 8.290 nan 0.000 0.568 238 G N -1.633 107.121 108.800 -0.076 0.000 2.371 238 G HA2 0.151 4.110 3.960 -0.001 0.000 0.663 238 G HA3 0.151 4.110 3.960 -0.001 0.000 0.663 238 G C -0.821 173.744 174.900 -0.558 0.000 1.311 238 G CA -0.266 44.628 45.100 -0.343 0.000 0.985 238 G HN 0.546 nan 8.290 nan 0.000 0.566 239 R N -0.208 119.938 120.500 -0.589 0.000 2.295 239 R HA 0.723 5.062 4.340 -0.001 0.000 0.324 239 R C -0.830 175.152 176.300 -0.530 0.000 0.968 239 R CA -0.649 55.214 56.100 -0.396 0.000 0.837 239 R CB 0.430 30.651 30.300 -0.132 0.000 1.133 239 R HN 0.337 nan 8.270 nan 0.000 0.450 240 F N 4.198 124.166 119.950 0.030 0.000 2.541 240 F HA 0.398 4.925 4.527 -0.001 0.000 0.331 240 F C 0.753 176.575 175.800 0.038 0.000 1.057 240 F CA -1.048 56.972 58.000 0.032 0.000 0.975 240 F CB 1.260 40.274 39.000 0.024 0.000 1.246 240 F HN 0.376 nan 8.300 nan 0.000 0.484 241 L N 1.063 122.440 121.223 0.256 0.000 3.678 241 L HA -0.255 4.085 4.340 -0.001 0.000 0.425 241 L C 0.848 177.845 176.870 0.212 0.000 1.240 241 L CA 0.696 55.655 54.840 0.199 0.000 0.876 241 L CB -1.894 40.254 42.059 0.148 0.000 1.766 241 L HN 1.013 nan 8.230 nan 0.000 0.917 242 G N -1.427 107.439 108.800 0.111 0.000 2.945 242 G HA2 0.300 4.259 3.960 -0.001 0.000 0.225 242 G HA3 0.300 4.259 3.960 -0.001 0.000 0.225 242 G C 1.194 176.008 174.900 -0.144 0.000 1.046 242 G CA 0.499 45.558 45.100 -0.067 0.000 0.842 242 G HN 0.463 nan 8.290 nan 0.000 0.543 243 G N 1.286 110.097 108.800 0.018 0.000 2.462 243 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.220 243 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.220 243 G C 1.565 176.453 174.900 -0.020 0.000 1.121 243 G CA 1.332 46.436 45.100 0.006 0.000 0.758 243 G HN 0.635 nan 8.290 nan 0.000 0.559 244 H N -0.074 118.954 119.070 -0.071 0.000 2.546 244 H HA 0.167 4.723 4.556 -0.001 0.000 0.277 244 H C 1.837 177.061 175.328 -0.173 0.000 1.004 244 H CA 0.438 56.429 56.048 -0.094 0.000 1.231 244 H CB -0.310 29.404 29.762 -0.080 0.000 1.382 244 H HN 0.381 nan 8.280 nan 0.000 0.580 245 L N -0.260 120.547 121.223 -0.693 0.000 2.616 245 L HA 0.304 4.644 4.340 -0.001 0.000 0.229 245 L C 1.440 178.082 176.870 -0.379 0.000 1.110 245 L CA 0.461 54.863 54.840 -0.729 0.000 0.884 245 L CB 0.497 41.794 42.059 -1.270 0.000 1.115 245 L HN 0.530 nan 8.230 nan 0.000 0.481 246 G N 0.747 109.401 108.800 -0.243 0.000 2.159 246 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.227 246 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.227 246 G C 0.113 174.949 174.900 -0.106 0.000 0.986 246 G CA -0.439 44.570 45.100 -0.153 0.000 0.651 246 G HN 0.163 nan 8.290 nan 0.000 0.523 247 L N 1.221 122.392 121.223 -0.087 0.000 2.331 247 L HA 0.642 4.981 4.340 -0.001 0.000 0.278 247 L C 1.177 178.025 176.870 -0.037 0.000 1.106 247 L CA -0.163 54.668 54.840 -0.015 0.000 0.824 247 L CB 1.251 43.335 42.059 0.042 0.000 1.142 247 L HN 0.337 nan 8.230 nan 0.000 0.443 248 A N 2.864 125.664 122.820 -0.032 0.000 2.332 248 A HA 0.259 4.579 4.320 -0.001 0.000 0.258 248 A C 1.083 178.628 177.584 -0.065 0.000 1.087 248 A CA -0.368 51.642 52.037 -0.046 0.000 0.802 248 A CB 0.612 19.588 19.000 -0.040 0.000 1.042 248 A HN 0.832 nan 8.150 nan 0.000 0.489 249 R N 1.135 121.588 120.500 -0.078 0.000 2.073 249 R HA -0.024 4.315 4.340 -0.001 0.000 0.234 249 R C 1.219 177.419 176.300 -0.166 0.000 1.134 249 R CA 1.930 57.938 56.100 -0.153 0.000 0.952 249 R CB -0.872 29.371 30.300 -0.095 0.000 0.850 249 R HN 1.281 nan 8.270 nan 0.000 0.433 250 S N -3.290 112.361 115.700 -0.082 0.000 3.583 250 S HA -0.066 4.404 4.470 -0.001 0.000 0.629 250 S C 0.517 175.088 174.600 -0.048 0.000 2.549 250 S CA 2.120 60.291 58.200 -0.049 0.000 3.665 250 S CB -1.667 61.508 63.200 -0.042 0.000 0.265 250 S HN 1.567 nan 8.310 nan 0.000 1.206 251 G N 0.599 109.382 108.800 -0.027 0.000 2.725 251 G HA2 -0.047 3.913 3.960 -0.001 0.000 0.220 251 G HA3 -0.047 3.913 3.960 -0.001 0.000 0.220 251 G C -3.020 171.915 174.900 0.057 0.000 1.357 251 G CA -0.065 45.035 45.100 0.001 0.000 0.866 251 G HN 1.088 nan 8.290 nan 0.000 0.548 252 P HA 0.290 nan 4.420 nan 0.000 0.271 252 P C 0.939 178.328 177.300 0.149 0.000 1.220 252 P CA -0.356 62.845 63.100 0.167 0.000 0.768 252 P CB 1.299 33.020 31.700 0.035 0.000 0.848 253 L N 2.271 123.621 121.223 0.211 0.000 2.275 253 L HA -0.015 4.325 4.340 -0.001 0.000 0.215 253 L C 0.646 177.630 176.870 0.191 0.000 1.119 253 L CA 1.847 56.786 54.840 0.164 0.000 0.790 253 L CB -0.573 41.571 42.059 0.142 0.000 0.919 253 L HN 0.338 nan 8.230 nan 0.000 0.443 254 D N -1.378 119.180 120.400 0.264 0.000 2.404 254 D HA 0.342 4.982 4.640 -0.001 0.000 0.267 254 D C 0.957 177.239 176.300 -0.030 0.000 1.194 254 D CA 0.404 54.543 54.000 0.232 0.000 0.910 254 D CB 1.130 42.168 40.800 0.396 0.000 1.090 254 D HN 0.103 nan 8.370 nan 0.000 0.511 255 A N 4.222 127.028 122.820 -0.023 0.000 1.877 255 A HA 0.014 4.334 4.320 -0.001 0.000 0.216 255 A C -0.530 176.921 177.584 -0.222 0.000 1.186 255 A CA 0.991 52.948 52.037 -0.133 0.000 0.620 255 A CB -1.077 17.895 19.000 -0.048 0.000 0.822 255 A HN 0.467 nan 8.150 nan 0.000 0.443 256 P HA -0.110 nan 4.420 nan 0.000 0.216 256 P C 1.679 178.798 177.300 -0.303 0.000 1.150 256 P CA 1.828 64.754 63.100 -0.289 0.000 0.843 256 P CB -0.089 31.339 31.700 -0.454 0.000 0.787 257 S N -0.631 114.884 115.700 -0.308 0.000 2.357 257 S HA -0.085 4.385 4.470 -0.001 0.000 0.221 257 S C 2.065 176.362 174.600 -0.504 0.000 1.031 257 S CA 1.200 59.191 58.200 -0.349 0.000 0.982 257 S CB -1.089 61.980 63.200 -0.219 0.000 0.853 257 S HN 0.129 nan 8.310 nan 0.000 0.458 258 A N 2.327 124.643 122.820 -0.840 0.000 1.873 258 A HA -0.197 4.122 4.320 -0.001 0.000 0.218 258 A C 2.151 179.539 177.584 -0.326 0.000 1.193 258 A CA 1.601 53.201 52.037 -0.728 0.000 0.629 258 A CB -0.596 17.994 19.000 -0.683 0.000 0.826 258 A HN 0.416 nan 8.150 nan 0.000 0.447 259 R N -1.339 118.995 120.500 -0.277 0.000 2.083 259 R HA -0.148 4.192 4.340 -0.001 0.000 0.237 259 R C 2.160 178.347 176.300 -0.189 0.000 1.137 259 R CA 1.487 57.471 56.100 -0.194 0.000 0.951 259 R CB -0.707 29.482 30.300 -0.185 0.000 0.851 259 R HN 0.490 nan 8.270 nan 0.000 0.434 260 L N 0.996 122.086 121.223 -0.221 0.000 1.989 260 L HA -0.173 4.167 4.340 -0.001 0.000 0.211 260 L C 2.334 179.123 176.870 -0.134 0.000 1.071 260 L CA 2.114 56.833 54.840 -0.202 0.000 0.749 260 L CB -0.931 41.006 42.059 -0.203 0.000 0.890 260 L HN 0.172 nan 8.230 nan 0.000 0.431 261 A N -0.400 122.349 122.820 -0.117 0.000 1.884 261 A HA -0.304 4.015 4.320 -0.001 0.000 0.219 261 A C 2.169 179.742 177.584 -0.019 0.000 1.197 261 A CA 2.287 54.305 52.037 -0.031 0.000 0.637 261 A CB -0.951 18.062 19.000 0.023 0.000 0.827 261 A HN 0.640 nan 8.150 nan 0.000 0.450 262 N N -0.830 117.843 118.700 -0.045 0.000 2.106 262 N HA -0.144 4.596 4.740 -0.001 0.000 0.188 262 N C 1.867 177.348 175.510 -0.049 0.000 1.029 262 N CA 1.407 54.437 53.050 -0.034 0.000 0.848 262 N CB -0.511 37.951 38.487 -0.041 0.000 1.007 262 N HN 0.618 nan 8.380 nan 0.000 0.423 263 R N 0.892 121.342 120.500 -0.082 0.000 2.103 263 R HA -0.080 4.259 4.340 -0.001 0.000 0.242 263 R C 2.101 178.359 176.300 -0.069 0.000 1.142 263 R CA 1.118 57.161 56.100 -0.096 0.000 0.960 263 R CB -0.286 29.919 30.300 -0.158 0.000 0.858 263 R HN 0.193 nan 8.270 nan 0.000 0.439 264 L N 0.453 121.644 121.223 -0.053 0.000 2.141 264 L HA -0.100 4.240 4.340 -0.001 0.000 0.209 264 L C 2.092 178.957 176.870 -0.008 0.000 1.094 264 L CA 0.861 55.691 54.840 -0.017 0.000 0.763 264 L CB -0.187 41.879 42.059 0.012 0.000 0.908 264 L HN 0.205 nan 8.230 nan 0.000 0.437 265 V N -3.198 116.708 119.914 -0.014 0.000 3.577 265 V HA 0.446 4.566 4.120 -0.001 0.000 0.294 265 V C 1.338 177.423 176.094 -0.016 0.000 1.317 265 V CA 0.403 62.693 62.300 -0.016 0.000 1.169 265 V CB -0.512 31.302 31.823 -0.015 0.000 1.011 265 V HN 0.516 nan 8.190 nan 0.000 0.426 266 G N 0.599 109.386 108.800 -0.021 0.000 2.179 266 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.260 266 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.260 266 G C 0.106 174.993 174.900 -0.022 0.000 0.977 266 G CA 0.300 45.388 45.100 -0.021 0.000 0.641 266 G HN 0.622 nan 8.290 nan 0.000 0.533 267 N N 1.045 119.732 118.700 -0.022 0.000 2.354 267 N HA 0.487 5.226 4.740 -0.001 0.000 0.246 267 N C 1.322 176.816 175.510 -0.027 0.000 1.285 267 N CA 0.573 53.612 53.050 -0.019 0.000 0.925 267 N CB 0.157 38.637 38.487 -0.011 0.000 1.174 267 N HN 0.468 nan 8.380 nan 0.000 0.478 268 G N -0.699 108.088 108.800 -0.021 0.000 2.479 268 G HA2 0.334 4.293 3.960 -0.001 0.000 0.275 268 G HA3 0.334 4.293 3.960 -0.001 0.000 0.275 268 G C 0.853 175.734 174.900 -0.032 0.000 1.421 268 G CA 0.408 45.492 45.100 -0.025 0.000 1.059 268 G HN 0.563 nan 8.290 nan 0.000 0.535 269 A N -1.077 121.725 122.820 -0.030 0.000 1.843 269 A HA 0.287 4.607 4.320 -0.001 0.000 0.213 269 A C 2.123 179.696 177.584 -0.020 0.000 1.202 269 A CA 1.847 53.862 52.037 -0.036 0.000 0.607 269 A CB -0.643 18.337 19.000 -0.032 0.000 0.847 269 A HN 1.243 nan 8.150 nan 0.000 0.445 270 G N -0.369 108.434 108.800 0.005 0.000 3.814 270 G HA2 0.478 4.437 3.960 -0.001 0.000 0.293 270 G HA3 0.478 4.437 3.960 -0.001 0.000 0.293 270 G C 0.257 175.172 174.900 0.025 0.000 1.243 270 G CA 0.434 45.550 45.100 0.026 0.000 1.053 270 G HN 0.699 nan 8.290 nan 0.000 0.562 271 A N 1.382 124.209 122.820 0.012 0.000 2.451 271 A HA 0.558 4.878 4.320 -0.001 0.000 0.266 271 A C -2.128 175.473 177.584 0.028 0.000 1.119 271 A CA -1.103 50.944 52.037 0.016 0.000 0.786 271 A CB 0.244 19.249 19.000 0.008 0.000 1.061 271 A HN 0.197 nan 8.150 nan 0.000 0.503 272 P HA 0.139 nan 4.420 nan 0.000 0.256 272 P C -0.709 176.626 177.300 0.058 0.000 1.173 272 P CA 0.596 63.722 63.100 0.043 0.000 0.768 272 P CB 0.045 31.766 31.700 0.035 0.000 0.758 273 L N 2.767 124.038 121.223 0.079 0.000 2.230 273 L HA 0.779 5.118 4.340 -0.001 0.000 0.255 273 L C -0.929 176.025 176.870 0.140 0.000 1.039 273 L CA -1.298 53.611 54.840 0.116 0.000 0.846 273 L CB -0.058 42.077 42.059 0.126 0.000 1.419 273 L HN 0.010 nan 8.230 nan 0.000 0.435 274 L N 0.902 122.230 121.223 0.175 0.000 2.287 274 L HA 0.569 4.909 4.340 -0.001 0.000 0.287 274 L C -0.268 176.666 176.870 0.106 0.000 1.022 274 L CA 0.052 54.987 54.840 0.159 0.000 0.814 274 L CB 0.878 43.054 42.059 0.195 0.000 1.217 274 L HN 0.879 nan 8.230 nan 0.000 0.420 275 E N 4.903 125.102 120.200 -0.002 0.000 2.175 275 E HA 0.530 4.880 4.350 -0.001 0.000 0.278 275 E C -1.703 174.769 176.600 -0.214 0.000 0.969 275 E CA -0.637 55.551 56.400 -0.355 0.000 0.796 275 E CB 0.960 30.509 29.700 -0.252 0.000 1.104 275 E HN 0.484 nan 8.360 nan 0.000 0.395 276 F N 1.456 121.162 119.950 -0.407 0.000 2.613 276 F HA 0.843 5.370 4.527 -0.001 0.000 0.310 276 F C -1.305 174.362 175.800 -0.222 0.000 1.085 276 F CA -1.082 56.741 58.000 -0.295 0.000 0.945 276 F CB 1.280 40.040 39.000 -0.400 0.000 1.298 276 F HN 0.402 nan 8.300 nan 0.000 0.455 277 A N 1.900 124.839 122.820 0.198 0.000 2.449 277 A HA 0.748 5.068 4.320 -0.001 0.000 0.302 277 A C -0.716 177.200 177.584 0.553 0.000 1.048 277 A CA -0.730 51.471 52.037 0.273 0.000 0.708 277 A CB 0.305 19.430 19.000 0.209 0.000 1.274 277 A HN 1.217 nan 8.150 nan 0.000 0.410 278 Y N -0.015 120.582 120.300 0.495 0.000 2.742 278 Y HA -0.316 4.233 4.550 -0.001 0.000 0.485 278 Y C 0.865 177.041 175.900 0.460 0.000 1.119 278 Y CA 2.456 60.749 58.100 0.322 0.000 2.917 278 Y CB -0.959 37.606 38.460 0.174 0.000 0.951 278 Y HN 0.729 nan 8.280 nan 0.000 0.562 279 K N 1.864 122.614 120.400 0.583 0.000 2.426 279 K HA 0.578 4.898 4.320 -0.001 0.000 0.254 279 K C 0.164 176.891 176.600 0.211 0.000 0.936 279 K CA 0.039 56.576 56.287 0.417 0.000 0.801 279 K CB 1.636 34.282 32.500 0.244 0.000 1.139 279 K HN 0.343 nan 8.250 nan 0.000 0.424 280 G N 3.494 112.267 108.800 -0.044 0.000 2.547 280 G HA2 0.436 4.396 3.960 -0.001 0.000 0.291 280 G HA3 0.436 4.396 3.960 -0.001 0.000 0.291 280 G C -2.505 172.214 174.900 -0.300 0.000 1.211 280 G CA -1.150 43.553 45.100 -0.661 0.000 0.950 280 G HN 0.468 nan 8.290 nan 0.000 0.504 281 P HA 0.406 nan 4.420 nan 0.000 0.281 281 P C -0.853 176.426 177.300 -0.036 0.000 1.281 281 P CA -0.578 62.460 63.100 -0.103 0.000 0.811 281 P CB 1.724 33.382 31.700 -0.070 0.000 1.154 282 V N 1.539 121.451 119.914 -0.003 0.000 2.357 282 V HA 0.367 4.487 4.120 -0.001 0.000 0.284 282 V C 0.178 176.305 176.094 0.055 0.000 1.018 282 V CA -0.377 61.920 62.300 -0.005 0.000 0.841 282 V CB 0.715 32.535 31.823 -0.005 0.000 0.991 282 V HN 0.312 nan 8.190 nan 0.000 0.437 283 L N 4.046 125.330 121.223 0.102 0.000 2.386 283 L HA 0.712 5.051 4.340 -0.001 0.000 0.271 283 L C -0.145 176.943 176.870 0.363 0.000 0.993 283 L CA -0.387 54.599 54.840 0.244 0.000 0.819 283 L CB 2.508 44.813 42.059 0.409 0.000 1.294 283 L HN 0.465 nan 8.230 nan 0.000 0.414 284 T N 1.622 116.331 114.554 0.258 0.000 2.812 284 T HA 0.549 4.899 4.350 -0.001 0.000 0.282 284 T C 0.035 174.733 174.700 -0.004 0.000 0.990 284 T CA -0.498 61.735 62.100 0.223 0.000 0.960 284 T CB 1.718 70.651 68.868 0.109 0.000 0.948 284 T HN 0.663 nan 8.240 nan 0.000 0.438 285 A N 3.560 126.244 122.820 -0.226 0.000 2.492 285 A HA 0.341 4.661 4.320 -0.001 0.000 0.254 285 A C 1.238 178.635 177.584 -0.313 0.000 1.091 285 A CA -0.195 51.429 52.037 -0.689 0.000 0.768 285 A CB -0.241 18.020 19.000 -1.232 0.000 1.028 285 A HN 0.997 nan 8.150 nan 0.000 0.498 286 L N 2.033 123.097 121.223 -0.265 0.000 2.492 286 L HA 0.095 4.435 4.340 -0.001 0.000 0.223 286 L C 1.316 178.101 176.870 -0.143 0.000 1.132 286 L CA 0.645 55.394 54.840 -0.152 0.000 0.850 286 L CB -0.602 41.388 42.059 -0.116 0.000 0.966 286 L HN 0.926 nan 8.230 nan 0.000 0.454 287 R N -2.331 118.051 120.500 -0.197 0.000 2.766 287 R HA 0.342 4.682 4.340 -0.001 0.000 0.270 287 R C -1.471 174.721 176.300 -0.180 0.000 1.035 287 R CA -1.033 54.978 56.100 -0.148 0.000 0.911 287 R CB 0.598 30.831 30.300 -0.113 0.000 1.243 287 R HN -0.304 nan 8.270 nan 0.000 0.460 288 D N 1.115 121.452 120.400 -0.105 0.000 2.434 288 D HA 0.245 4.885 4.640 -0.001 0.000 0.252 288 D C -0.377 175.870 176.300 -0.089 0.000 1.185 288 D CA 0.537 54.494 54.000 -0.072 0.000 0.886 288 D CB 0.506 41.293 40.800 -0.022 0.000 1.148 288 D HN 0.281 nan 8.370 nan 0.000 0.483 289 L N 1.511 122.685 121.223 -0.081 0.000 2.309 289 L HA 0.598 4.938 4.340 -0.001 0.000 0.261 289 L C -0.603 176.275 176.870 0.014 0.000 1.021 289 L CA -1.260 53.541 54.840 -0.065 0.000 0.823 289 L CB 2.061 44.025 42.059 -0.158 0.000 1.366 289 L HN -0.007 nan 8.230 nan 0.000 0.423 290 V N 1.186 121.086 119.914 -0.022 0.000 2.378 290 V HA 0.765 4.885 4.120 -0.001 0.000 0.288 290 V C -0.081 175.938 176.094 -0.126 0.000 1.016 290 V CA -0.313 61.944 62.300 -0.072 0.000 0.840 290 V CB 1.297 33.093 31.823 -0.045 0.000 0.994 290 V HN 0.861 nan 8.190 nan 0.000 0.431 291 A N 4.139 126.751 122.820 -0.347 0.000 2.387 291 A HA 1.073 5.393 4.320 -0.001 0.000 0.298 291 A C -0.441 176.857 177.584 -0.476 0.000 1.165 291 A CA -0.314 51.539 52.037 -0.307 0.000 0.814 291 A CB 2.042 20.991 19.000 -0.085 0.000 1.357 291 A HN 1.434 nan 8.150 nan 0.000 0.443 292 A N -0.344 122.428 122.820 -0.080 0.000 2.515 292 A HA 0.707 5.027 4.320 -0.001 0.000 0.298 292 A C -1.332 176.484 177.584 0.385 0.000 1.059 292 A CA -0.343 51.780 52.037 0.144 0.000 0.698 292 A CB 0.912 19.964 19.000 0.087 0.000 1.289 292 A HN 1.724 nan 8.150 nan 0.000 0.404 293 F N 1.899 122.043 119.950 0.323 0.000 2.467 293 F HA 0.761 5.288 4.527 -0.001 0.000 0.336 293 F C -0.048 175.856 175.800 0.173 0.000 1.123 293 F CA -0.161 58.024 58.000 0.308 0.000 0.964 293 F CB 1.323 40.582 39.000 0.432 0.000 1.136 293 F HN 0.939 nan 8.300 nan 0.000 0.447 294 A N 4.025 126.636 122.820 -0.348 0.000 2.530 294 A HA 0.991 5.310 4.320 -0.001 0.000 0.288 294 A C -0.105 177.155 177.584 -0.541 0.000 1.172 294 A CA -0.359 51.336 52.037 -0.570 0.000 0.733 294 A CB 1.144 19.977 19.000 -0.278 0.000 1.320 294 A HN 1.976 nan 8.150 nan 0.000 0.419 295 G N -1.592 106.847 108.800 -0.602 0.000 2.409 295 G HA2 0.361 4.321 3.960 -0.001 0.000 0.421 295 G HA3 0.361 4.321 3.960 -0.001 0.000 0.421 295 G C -1.271 173.187 174.900 -0.737 0.000 1.259 295 G CA -0.235 44.584 45.100 -0.468 0.000 1.011 295 G HN 1.517 nan 8.290 nan 0.000 0.497 296 Y N -0.987 119.399 120.300 0.144 0.000 2.609 296 Y HA 0.611 5.161 4.550 -0.000 0.000 0.342 296 Y C 1.219 177.227 175.900 0.180 0.000 1.058 296 Y CA 0.288 58.481 58.100 0.156 0.000 1.055 296 Y CB 1.883 40.419 38.460 0.127 0.000 1.292 296 Y HN 2.183 nan 8.280 nan 0.000 0.476 297 G N -0.040 108.899 108.800 0.232 0.000 2.234 297 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.235 297 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.235 297 G C -0.492 174.211 174.900 -0.329 0.000 0.997 297 G CA -0.235 44.788 45.100 -0.128 0.000 0.623 297 G HN 0.407 nan 8.290 nan 0.000 0.514 298 F N -0.813 119.321 119.950 0.307 0.000 2.611 298 F HA 0.788 5.315 4.527 -0.000 0.000 0.324 298 F C 0.078 176.117 175.800 0.398 0.000 1.061 298 F CA -1.027 57.176 58.000 0.340 0.000 0.954 298 F CB 2.312 41.555 39.000 0.405 0.000 1.301 298 F HN 0.140 nan 8.300 nan 0.000 0.482 299 V N 1.624 121.811 119.914 0.456 0.000 2.604 299 V HA 0.858 4.977 4.120 -0.001 0.000 0.305 299 V C -0.697 175.449 176.094 0.087 0.000 1.043 299 V CA -0.644 61.846 62.300 0.318 0.000 0.888 299 V CB 1.458 33.390 31.823 0.181 0.000 0.995 299 V HN 0.952 nan 8.190 nan 0.000 0.429 300 A N 6.665 129.423 122.820 -0.103 0.000 2.354 300 A HA 0.806 5.126 4.320 -0.001 0.000 0.269 300 A C -0.870 176.469 177.584 -0.408 0.000 1.109 300 A CA -0.322 51.414 52.037 -0.502 0.000 0.800 300 A CB 0.409 19.050 19.000 -0.598 0.000 1.045 300 A HN 0.897 nan 8.150 nan 0.000 0.489 301 L N 2.449 123.354 121.223 -0.530 0.000 2.446 301 L HA 0.337 4.677 4.340 -0.001 0.000 0.268 301 L C -0.920 175.676 176.870 -0.456 0.000 0.975 301 L CA -0.317 54.291 54.840 -0.387 0.000 0.848 301 L CB 1.817 43.721 42.059 -0.258 0.000 1.225 301 L HN 0.646 nan 8.230 nan 0.000 0.410 302 L N 4.519 125.479 121.223 -0.439 0.000 2.270 302 L HA 0.432 4.771 4.340 -0.001 0.000 0.286 302 L C 0.333 177.070 176.870 -0.221 0.000 1.059 302 L CA 0.294 54.894 54.840 -0.400 0.000 0.839 302 L CB -0.048 41.727 42.059 -0.474 0.000 1.221 302 L HN 0.519 nan 8.230 nan 0.000 0.431 303 E N 4.461 124.563 120.200 -0.164 0.000 2.228 303 E HA -0.286 4.064 4.350 -0.001 0.000 0.213 303 E C 1.042 177.588 176.600 -0.089 0.000 1.282 303 E CA 0.970 57.316 56.400 -0.091 0.000 0.707 303 E CB -1.343 28.332 29.700 -0.041 0.000 1.150 303 E HN 1.151 nan 8.360 nan 0.000 0.362 304 G N -1.231 107.503 108.800 -0.109 0.000 2.812 304 G HA2 -0.390 3.570 3.960 -0.001 0.000 0.219 304 G HA3 -0.390 3.570 3.960 -0.001 0.000 0.219 304 G C 0.381 175.221 174.900 -0.100 0.000 1.275 304 G CA 0.879 45.926 45.100 -0.088 0.000 0.769 304 G HN 0.940 nan 8.290 nan 0.000 0.527 305 E N 2.183 122.318 120.200 -0.108 0.000 2.366 305 E HA 0.514 4.864 4.350 -0.001 0.000 0.266 305 E C 0.271 176.782 176.600 -0.149 0.000 1.015 305 E CA 0.567 56.903 56.400 -0.106 0.000 0.906 305 E CB -0.031 29.613 29.700 -0.094 0.000 0.979 305 E HN 0.704 nan 8.360 nan 0.000 0.443 306 E N 0.619 120.752 120.200 -0.112 0.000 2.392 306 E HA 0.333 4.683 4.350 -0.001 0.000 0.264 306 E C -0.245 176.277 176.600 -0.131 0.000 1.024 306 E CA 0.084 56.416 56.400 -0.114 0.000 0.903 306 E CB 0.791 30.460 29.700 -0.051 0.000 0.963 306 E HN 0.581 nan 8.360 nan 0.000 0.432 307 I N 5.310 125.782 120.570 -0.164 0.000 2.420 307 I HA 0.222 4.391 4.170 -0.001 0.000 0.282 307 I C -2.163 173.984 176.117 0.049 0.000 1.019 307 I CA -2.369 58.841 61.300 -0.149 0.000 1.130 307 I CB 1.456 39.188 38.000 -0.447 0.000 1.262 307 I HN 0.235 nan 8.210 nan 0.000 0.454 308 P HA 0.187 nan 4.420 nan 0.000 0.272 308 P C -2.588 174.835 177.300 0.206 0.000 1.223 308 P CA -1.312 61.883 63.100 0.159 0.000 0.784 308 P CB -0.196 31.557 31.700 0.088 0.000 0.923 309 P HA 0.074 nan 4.420 nan 0.000 0.272 309 P C 0.627 177.850 177.300 -0.127 0.000 1.223 309 P CA 0.637 63.599 63.100 -0.230 0.000 0.784 309 P CB 0.098 31.447 31.700 -0.584 0.000 0.923 310 G N 1.003 109.718 108.800 -0.141 0.000 2.165 310 G HA2 -0.137 3.823 3.960 -0.001 0.000 0.226 310 G HA3 -0.137 3.823 3.960 -0.001 0.000 0.226 310 G C -0.335 174.606 174.900 0.070 0.000 1.035 310 G CA 0.208 45.290 45.100 -0.030 0.000 0.744 310 G HN 0.913 nan 8.290 nan 0.000 0.501 311 Q N -1.108 118.767 119.800 0.125 0.000 2.386 311 Q HA 0.687 5.027 4.340 -0.001 0.000 0.274 311 Q C -0.191 175.967 176.000 0.262 0.000 1.011 311 Q CA -0.405 55.498 55.803 0.166 0.000 0.867 311 Q CB 1.185 30.012 28.738 0.147 0.000 1.409 311 Q HN 0.927 nan 8.270 nan 0.000 0.395 312 S N 1.548 117.363 115.700 0.193 0.000 2.632 312 S HA 0.853 5.323 4.470 -0.001 0.000 0.271 312 S C -0.335 174.409 174.600 0.241 0.000 1.260 312 S CA -0.461 57.825 58.200 0.144 0.000 1.010 312 S CB 0.241 63.461 63.200 0.034 0.000 0.965 312 S HN 0.754 nan 8.310 nan 0.000 0.534 313 F N -1.000 119.006 119.950 0.093 0.000 2.678 313 F HA 0.648 5.175 4.527 -0.001 0.000 0.308 313 F C -1.319 174.550 175.800 0.114 0.000 1.118 313 F CA -1.689 56.359 58.000 0.081 0.000 0.959 313 F CB 0.607 39.638 39.000 0.052 0.000 1.305 313 F HN 0.571 nan 8.300 nan 0.000 0.443 314 L N 3.236 124.619 121.223 0.267 0.000 2.410 314 L HA 0.294 4.633 4.340 -0.001 0.000 0.273 314 L C -1.115 176.002 176.870 0.413 0.000 1.152 314 L CA -0.035 54.939 54.840 0.223 0.000 0.855 314 L CB 0.585 42.744 42.059 0.168 0.000 1.129 314 L HN 0.778 nan 8.230 nan 0.000 0.463 315 W N 9.224 130.589 121.300 0.108 0.000 2.453 315 W HA 0.506 5.165 4.660 -0.000 0.000 0.298 315 W C -2.565 173.999 176.519 0.074 0.000 0.983 315 W CA -3.175 54.264 57.345 0.157 0.000 1.600 315 W CB 0.309 29.852 29.460 0.138 0.000 1.430 315 W HN 0.458 nan 8.180 nan 0.000 0.422 316 P HA 0.038 nan 4.420 nan 0.000 0.270 316 P C -0.017 177.319 177.300 0.060 0.000 1.223 316 P CA 0.052 63.241 63.100 0.149 0.000 0.785 316 P CB 0.548 32.333 31.700 0.140 0.000 0.923 317 R N 1.381 121.875 120.500 -0.010 0.000 2.538 317 R HA 0.216 4.555 4.340 -0.001 0.000 0.282 317 R C 1.157 177.456 176.300 -0.002 0.000 1.009 317 R CA 1.315 57.383 56.100 -0.052 0.000 1.063 317 R CB -0.990 29.284 30.300 -0.043 0.000 0.945 317 R HN 0.840 nan 8.270 nan 0.000 0.414 318 G N 3.019 111.813 108.800 -0.011 0.000 2.225 318 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.254 318 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.254 318 G C -0.324 174.628 174.900 0.086 0.000 0.988 318 G CA 0.132 45.249 45.100 0.028 0.000 0.625 318 G HN 0.508 nan 8.290 nan 0.000 0.527 319 K N 1.211 121.706 120.400 0.159 0.000 2.185 319 K HA 0.609 4.929 4.320 -0.001 0.000 0.271 319 K C 0.086 176.895 176.600 0.347 0.000 1.013 319 K CA -0.045 56.376 56.287 0.224 0.000 0.943 319 K CB 1.014 33.675 32.500 0.267 0.000 0.998 319 K HN 0.138 nan 8.250 nan 0.000 0.468 320 T N 2.348 117.015 114.554 0.188 0.000 2.771 320 T HA 0.336 4.686 4.350 -0.001 0.000 0.281 320 T C -0.366 174.303 174.700 -0.051 0.000 0.982 320 T CA -0.646 61.539 62.100 0.143 0.000 0.978 320 T CB 0.876 69.775 68.868 0.052 0.000 0.930 320 T HN 0.252 nan 8.240 nan 0.000 0.447 321 L N 3.961 125.086 121.223 -0.163 0.000 2.325 321 L HA 0.661 5.001 4.340 -0.001 0.000 0.279 321 L C -0.076 176.478 176.870 -0.525 0.000 1.054 321 L CA -0.074 54.423 54.840 -0.572 0.000 0.804 321 L CB 0.701 42.136 42.059 -1.040 0.000 1.200 321 L HN 0.556 nan 8.230 nan 0.000 0.436 322 R N 3.249 123.330 120.500 -0.699 0.000 2.771 322 R HA 0.572 4.912 4.340 -0.001 0.000 0.274 322 R C -1.738 174.033 176.300 -0.881 0.000 0.987 322 R CA -0.657 55.089 56.100 -0.590 0.000 0.908 322 R CB 1.923 32.042 30.300 -0.302 0.000 1.213 322 R HN 0.431 nan 8.270 nan 0.000 0.468 323 F N 0.841 120.616 119.950 -0.291 0.000 2.507 323 F HA 0.507 5.034 4.527 -0.000 0.000 0.325 323 F C 0.233 176.037 175.800 0.007 0.000 1.116 323 F CA -0.679 57.172 58.000 -0.249 0.000 0.930 323 F CB 1.800 40.470 39.000 -0.549 0.000 1.146 323 F HN 0.112 nan 8.300 nan 0.000 0.447 324 R N 3.908 124.571 120.500 0.271 0.000 2.480 324 R HA 0.523 4.863 4.340 -0.001 0.000 0.306 324 R C -2.961 173.501 176.300 0.270 0.000 0.958 324 R CA -2.067 54.164 56.100 0.219 0.000 0.861 324 R CB 1.864 32.217 30.300 0.088 0.000 1.171 324 R HN 0.242 nan 8.270 nan 0.000 0.445 325 P HA 0.083 nan 4.420 nan 0.000 0.264 325 P C -1.062 176.230 177.300 -0.014 0.000 1.193 325 P CA 0.365 63.431 63.100 -0.057 0.000 0.763 325 P CB 0.744 32.402 31.700 -0.070 0.000 0.810 326 R N 2.285 122.761 120.500 -0.040 0.000 2.984 326 R HA 0.552 4.891 4.340 -0.001 0.000 0.252 326 R C 0.344 176.644 176.300 0.001 0.000 1.842 326 R CA -0.214 55.893 56.100 0.012 0.000 1.389 326 R CB -0.055 30.287 30.300 0.070 0.000 1.454 326 R HN 0.662 nan 8.270 nan 0.000 0.578 327 G N 1.823 110.603 108.800 -0.034 0.000 2.611 327 G HA2 0.611 4.571 3.960 -0.001 0.000 0.273 327 G HA3 0.611 4.571 3.960 -0.001 0.000 0.273 327 G C -1.502 173.408 174.900 0.016 0.000 1.305 327 G CA -0.413 44.669 45.100 -0.030 0.000 1.010 327 G HN 0.606 nan 8.290 nan 0.000 0.509 328 P HA 0.609 nan 4.420 nan 0.000 0.293 328 P C 0.169 177.487 177.300 0.029 0.000 1.304 328 P CA 0.508 63.609 63.100 0.002 0.000 0.767 328 P CB 0.457 32.154 31.700 -0.005 0.000 1.247 329 G N -2.082 106.729 108.800 0.020 0.000 2.675 329 G HA2 0.127 4.087 3.960 -0.001 0.000 0.686 329 G HA3 0.127 4.087 3.960 -0.001 0.000 0.686 329 G C -0.015 174.845 174.900 -0.066 0.000 1.215 329 G CA -0.317 44.816 45.100 0.055 0.000 0.777 329 G HN 0.952 nan 8.290 nan 0.000 0.638 330 V N -2.188 117.670 119.914 -0.093 0.000 3.485 330 V HA 0.626 4.746 4.120 -0.001 0.000 0.280 330 V C 0.712 176.746 176.094 -0.099 0.000 1.495 330 V CA 1.187 63.289 62.300 -0.330 0.000 1.018 330 V CB 0.574 31.988 31.823 -0.681 0.000 0.818 330 V HN 0.878 nan 8.190 nan 0.000 0.436 331 R N 0.354 120.892 120.500 0.062 0.000 2.513 331 R HA 0.714 5.054 4.340 -0.001 0.000 0.301 331 R C -0.225 175.998 176.300 -0.129 0.000 0.968 331 R CA 0.159 56.237 56.100 -0.038 0.000 0.872 331 R CB 1.919 32.178 30.300 -0.068 0.000 1.177 331 R HN 0.531 nan 8.270 nan 0.000 0.444 332 G N 2.085 110.458 108.800 -0.713 0.000 2.533 332 G HA2 0.547 4.507 3.960 -0.001 0.000 0.304 332 G HA3 0.547 4.507 3.960 -0.001 0.000 0.304 332 G C -1.846 172.155 174.900 -1.498 0.000 1.263 332 G CA -0.347 44.235 45.100 -0.863 0.000 0.964 332 G HN 0.413 nan 8.290 nan 0.000 0.479 333 Y N -0.623 119.395 120.300 -0.470 0.000 2.425 333 Y HA 0.610 5.159 4.550 -0.001 0.000 0.344 333 Y C -0.381 175.600 175.900 0.136 0.000 0.969 333 Y CA -0.852 57.118 58.100 -0.218 0.000 1.052 333 Y CB 2.689 41.070 38.460 -0.133 0.000 1.215 333 Y HN 0.490 nan 8.280 nan 0.000 0.451 334 L N 2.992 124.426 121.223 0.352 0.000 2.325 334 L HA 0.925 5.264 4.340 -0.001 0.000 0.281 334 L C -0.778 176.268 176.870 0.293 0.000 1.004 334 L CA -0.441 54.649 54.840 0.416 0.000 0.823 334 L CB 1.119 43.463 42.059 0.475 0.000 1.236 334 L HN 0.728 nan 8.230 nan 0.000 0.415 335 A N 4.578 127.541 122.820 0.238 0.000 2.340 335 A HA 0.834 5.153 4.320 -0.001 0.000 0.331 335 A C -1.021 176.639 177.584 0.126 0.000 1.140 335 A CA -0.329 51.797 52.037 0.149 0.000 0.801 335 A CB 1.645 20.700 19.000 0.090 0.000 1.234 335 A HN 1.003 nan 8.150 nan 0.000 0.469 336 V N -0.610 119.361 119.914 0.094 0.000 2.680 336 V HA 0.858 4.978 4.120 -0.001 0.000 0.309 336 V C 0.355 176.462 176.094 0.022 0.000 1.052 336 V CA -0.556 61.782 62.300 0.063 0.000 0.908 336 V CB 1.044 32.910 31.823 0.072 0.000 1.001 336 V HN 1.807 nan 8.190 nan 0.000 0.431 337 A N 3.123 125.942 122.820 -0.002 0.000 2.545 337 A HA 0.539 4.859 4.320 -0.001 0.000 0.253 337 A C 1.582 179.161 177.584 -0.009 0.000 1.074 337 A CA 0.878 52.909 52.037 -0.010 0.000 0.760 337 A CB -0.828 18.160 19.000 -0.019 0.000 1.005 337 A HN 2.834 nan 8.150 nan 0.000 0.506 338 G N 1.534 110.330 108.800 -0.006 0.000 2.254 338 G HA2 0.297 4.256 3.960 -0.001 0.000 0.225 338 G HA3 0.297 4.256 3.960 -0.001 0.000 0.225 338 G C 1.596 176.496 174.900 0.000 0.000 1.003 338 G CA 0.598 45.694 45.100 -0.006 0.000 0.622 338 G HN 3.122 nan 8.290 nan 0.000 0.507 339 G N -0.859 107.946 108.800 0.008 0.000 2.758 339 G HA2 0.142 4.102 3.960 -0.001 0.000 0.686 339 G HA3 0.142 4.102 3.960 -0.001 0.000 0.686 339 G C -0.199 174.711 174.900 0.015 0.000 1.389 339 G CA -0.188 44.922 45.100 0.017 0.000 0.845 339 G HN 1.250 nan 8.290 nan 0.000 0.572 340 L N 0.530 121.767 121.223 0.024 0.000 2.350 340 L HA 0.439 4.779 4.340 -0.001 0.000 0.275 340 L C 1.169 178.045 176.870 0.010 0.000 1.099 340 L CA -0.568 54.283 54.840 0.018 0.000 0.808 340 L CB 1.298 43.374 42.059 0.029 0.000 1.149 340 L HN 0.781 nan 8.230 nan 0.000 0.442 341 E N 1.927 122.128 120.200 0.001 0.000 2.360 341 E HA 0.357 4.707 4.350 -0.001 0.000 0.269 341 E C -1.436 175.164 176.600 0.000 0.000 1.022 341 E CA -0.289 56.111 56.400 -0.001 0.000 0.887 341 E CB 0.987 30.683 29.700 -0.007 0.000 0.990 341 E HN 0.317 nan 8.360 nan 0.000 0.426 342 V N 4.737 124.653 119.914 0.004 0.000 2.932 342 V HA 0.315 4.435 4.120 -0.001 0.000 0.307 342 V C -0.555 175.545 176.094 0.010 0.000 1.147 342 V CA -0.889 61.414 62.300 0.005 0.000 0.951 342 V CB 2.099 33.930 31.823 0.013 0.000 1.031 342 V HN 0.689 nan 8.190 nan 0.000 0.426 343 R N 4.171 124.676 120.500 0.008 0.000 2.205 343 R HA 0.387 4.726 4.340 -0.001 0.000 0.342 343 R C -2.538 173.787 176.300 0.043 0.000 1.058 343 R CA -1.457 54.655 56.100 0.020 0.000 0.904 343 R CB 1.484 31.791 30.300 0.012 0.000 1.089 343 R HN 0.457 nan 8.270 nan 0.000 0.471 344 P HA 0.111 nan 4.420 nan 0.000 0.281 344 P C -1.069 176.315 177.300 0.139 0.000 1.249 344 P CA -0.320 62.828 63.100 0.080 0.000 0.810 344 P CB 0.755 32.486 31.700 0.052 0.000 1.008 345 F N 4.232 124.179 119.950 -0.004 0.000 2.477 345 F HA 0.346 4.872 4.527 -0.001 0.000 0.335 345 F C 0.096 175.913 175.800 0.029 0.000 1.130 345 F CA -0.963 57.037 58.000 0.000 0.000 0.948 345 F CB 0.624 39.613 39.000 -0.018 0.000 1.154 345 F HN 0.064 nan 8.300 nan 0.000 0.439 346 L N 6.082 126.948 121.223 -0.595 0.000 3.742 346 L HA -0.149 4.191 4.340 -0.001 0.000 0.431 346 L C 1.102 177.901 176.870 -0.120 0.000 1.220 346 L CA 1.391 55.993 54.840 -0.396 0.000 0.863 346 L CB -1.691 40.074 42.059 -0.489 0.000 1.751 346 L HN 1.196 nan 8.230 nan 0.000 0.922 347 G N -2.411 106.356 108.800 -0.055 0.000 2.175 347 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.244 347 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.244 347 G C 0.312 175.244 174.900 0.055 0.000 0.982 347 G CA 0.565 45.675 45.100 0.018 0.000 0.641 347 G HN 1.067 nan 8.290 nan 0.000 0.527 348 S N -1.233 114.498 115.700 0.052 0.000 2.564 348 S HA 0.787 5.257 4.470 -0.001 0.000 0.274 348 S C 0.797 175.439 174.600 0.070 0.000 1.124 348 S CA 0.539 58.773 58.200 0.057 0.000 0.869 348 S CB 1.646 64.857 63.200 0.018 0.000 1.105 348 S HN 1.584 nan 8.310 nan 0.000 0.472 349 A N 2.188 125.040 122.820 0.052 0.000 2.267 349 A HA 0.433 4.752 4.320 -0.001 0.000 0.213 349 A C 0.894 178.499 177.584 0.035 0.000 1.192 349 A CA 0.072 52.137 52.037 0.046 0.000 0.851 349 A CB -0.336 18.686 19.000 0.036 0.000 0.881 349 A HN 0.653 nan 8.150 nan 0.000 0.494 350 S N 1.802 117.518 115.700 0.028 0.000 2.573 350 S HA 0.360 4.830 4.470 -0.001 0.000 0.277 350 S C -2.365 172.248 174.600 0.022 0.000 1.346 350 S CA -0.527 57.683 58.200 0.016 0.000 1.034 350 S CB 0.525 63.718 63.200 -0.013 0.000 0.879 350 S HN 0.401 nan 8.310 nan 0.000 0.528 351 P HA 0.366 nan 4.420 nan 0.000 0.285 351 P C -1.318 175.991 177.300 0.016 0.000 1.269 351 P CA -0.547 62.559 63.100 0.011 0.000 0.844 351 P CB 0.790 32.493 31.700 0.005 0.000 1.094 352 D N 1.947 122.358 120.400 0.018 0.000 2.408 352 D HA 0.199 4.839 4.640 -0.001 0.000 0.261 352 D C 1.082 177.393 176.300 0.018 0.000 1.190 352 D CA -0.393 53.620 54.000 0.021 0.000 0.910 352 D CB 0.487 41.313 40.800 0.043 0.000 1.097 352 D HN 0.152 nan 8.370 nan 0.000 0.522 353 L N 2.352 123.587 121.223 0.020 0.000 2.275 353 L HA 0.003 4.342 4.340 -0.001 0.000 0.215 353 L C 2.512 179.402 176.870 0.033 0.000 1.119 353 L CA 0.518 55.375 54.840 0.028 0.000 0.790 353 L CB -0.064 42.016 42.059 0.036 0.000 0.919 353 L HN 0.279 nan 8.230 nan 0.000 0.443 354 R N 0.593 121.105 120.500 0.021 0.000 2.066 354 R HA -0.106 4.234 4.340 -0.001 0.000 0.232 354 R C 2.008 178.321 176.300 0.022 0.000 1.131 354 R CA 1.437 57.547 56.100 0.015 0.000 0.955 354 R CB -0.342 29.950 30.300 -0.013 0.000 0.851 354 R HN 0.352 nan 8.270 nan 0.000 0.432 355 G N 0.050 108.862 108.800 0.020 0.000 3.026 355 G HA2 -0.062 3.898 3.960 -0.001 0.000 0.208 355 G HA3 -0.062 3.898 3.960 -0.001 0.000 0.208 355 G C -0.264 174.734 174.900 0.164 0.000 1.169 355 G CA -0.218 44.921 45.100 0.066 0.000 0.788 355 G HN 0.379 nan 8.290 nan 0.000 0.533 356 R N -0.990 119.557 120.500 0.079 0.000 3.267 356 R HA -0.156 4.184 4.340 -0.001 0.000 0.254 356 R C -0.770 175.500 176.300 -0.050 0.000 0.993 356 R CA 0.532 56.656 56.100 0.041 0.000 0.670 356 R CB -2.404 27.940 30.300 0.073 0.000 1.125 356 R HN 0.394 nan 8.270 nan 0.000 0.434 357 I N 0.575 121.105 120.570 -0.066 0.000 2.410 357 I HA 0.451 4.620 4.170 -0.001 0.000 0.286 357 I C 1.091 177.154 176.117 -0.090 0.000 1.009 357 I CA 0.199 61.404 61.300 -0.160 0.000 1.111 357 I CB 1.882 39.789 38.000 -0.155 0.000 1.262 357 I HN 0.498 nan 8.210 nan 0.000 0.443 358 G N 5.663 114.395 108.800 -0.114 0.000 2.828 358 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.463 358 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.463 358 G C -0.752 174.107 174.900 -0.068 0.000 1.394 358 G CA -0.301 44.747 45.100 -0.088 0.000 0.862 358 G HN 0.962 nan 8.290 nan 0.000 0.540 359 R N -1.456 118.991 120.500 -0.087 0.000 2.712 359 R HA 0.691 5.031 4.340 -0.001 0.000 0.272 359 R C -3.291 172.966 176.300 -0.071 0.000 1.032 359 R CA -1.597 54.466 56.100 -0.062 0.000 0.874 359 R CB 0.657 30.889 30.300 -0.114 0.000 1.256 359 R HN 0.529 nan 8.270 nan 0.000 0.468 360 P HA 0.126 nan 4.420 nan 0.000 0.272 360 P C -0.371 176.908 177.300 -0.036 0.000 1.223 360 P CA -0.431 62.697 63.100 0.046 0.000 0.784 360 P CB 0.454 32.243 31.700 0.148 0.000 0.923 361 L N 1.804 123.025 121.223 -0.005 0.000 2.514 361 L HA 0.060 4.400 4.340 -0.001 0.000 0.280 361 L C 0.324 177.299 176.870 0.176 0.000 1.223 361 L CA 0.263 55.089 54.840 -0.023 0.000 0.864 361 L CB -0.021 42.057 42.059 0.032 0.000 1.118 361 L HN 0.318 nan 8.230 nan 0.000 0.494 362 W N 0.736 122.050 121.300 0.024 0.000 2.671 362 W HA 0.607 5.266 4.660 -0.001 0.000 0.360 362 W C 0.105 176.636 176.519 0.019 0.000 1.128 362 W CA -1.681 55.676 57.345 0.020 0.000 1.184 362 W CB 1.074 30.544 29.460 0.017 0.000 1.415 362 W HN 0.454 nan 8.180 nan 0.000 0.604 363 A N 0.844 123.820 122.820 0.259 0.000 2.498 363 A HA 0.471 4.790 4.320 -0.001 0.000 0.239 363 A C 1.184 178.864 177.584 0.160 0.000 1.068 363 A CA 1.329 53.457 52.037 0.151 0.000 0.766 363 A CB -0.503 18.548 19.000 0.086 0.000 1.003 363 A HN 1.648 nan 8.150 nan 0.000 0.497 364 G N 1.644 110.511 108.800 0.112 0.000 2.225 364 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.254 364 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.254 364 G C 0.019 174.974 174.900 0.092 0.000 0.988 364 G CA 0.400 45.557 45.100 0.095 0.000 0.625 364 G HN 0.867 nan 8.290 nan 0.000 0.527 365 D N 0.114 120.577 120.400 0.104 0.000 2.423 365 D HA 0.430 5.069 4.640 -0.001 0.000 0.238 365 D C 0.455 176.774 176.300 0.031 0.000 1.142 365 D CA 0.388 54.421 54.000 0.055 0.000 0.884 365 D CB 1.548 42.362 40.800 0.023 0.000 1.199 365 D HN 0.260 nan 8.370 nan 0.000 0.438 366 V N 3.487 123.406 119.914 0.009 0.000 2.376 366 V HA 0.271 4.391 4.120 -0.001 0.000 0.287 366 V C 0.184 176.269 176.094 -0.015 0.000 1.015 366 V CA -0.739 61.559 62.300 -0.003 0.000 0.834 366 V CB 0.951 32.770 31.823 -0.006 0.000 1.001 366 V HN 0.298 nan 8.190 nan 0.000 0.428 367 L N 3.977 125.191 121.223 -0.014 0.000 2.357 367 L HA 0.872 5.212 4.340 -0.001 0.000 0.273 367 L C 0.818 177.670 176.870 -0.030 0.000 1.080 367 L CA -0.174 54.657 54.840 -0.015 0.000 0.803 367 L CB 1.377 43.439 42.059 0.005 0.000 1.174 367 L HN 0.718 nan 8.230 nan 0.000 0.443 368 G N 1.719 110.504 108.800 -0.026 0.000 2.533 368 G HA2 0.653 4.613 3.960 -0.001 0.000 0.304 368 G HA3 0.653 4.613 3.960 -0.001 0.000 0.304 368 G C -0.913 173.972 174.900 -0.026 0.000 1.263 368 G CA -0.836 44.245 45.100 -0.033 0.000 0.964 368 G HN 0.367 nan 8.290 nan 0.000 0.479 369 L N 0.479 121.682 121.223 -0.033 0.000 2.417 369 L HA 0.255 4.595 4.340 -0.001 0.000 0.268 369 L C 1.621 178.481 176.870 -0.017 0.000 1.158 369 L CA -0.452 54.373 54.840 -0.025 0.000 0.819 369 L CB 1.536 43.575 42.059 -0.033 0.000 1.112 369 L HN 0.762 nan 8.230 nan 0.000 0.458 370 E N 2.132 122.326 120.200 -0.009 0.000 2.051 370 E HA 0.070 4.419 4.350 -0.001 0.000 0.189 370 E C 0.084 176.679 176.600 -0.009 0.000 0.979 370 E CA 1.072 57.468 56.400 -0.006 0.000 0.803 370 E CB 0.378 30.078 29.700 -0.001 0.000 0.761 370 E HN 0.684 nan 8.360 nan 0.000 0.451 371 A N -0.490 122.324 122.820 -0.010 0.000 2.556 371 A HA 0.577 4.897 4.320 -0.001 0.000 0.294 371 A C -1.324 176.251 177.584 -0.015 0.000 1.091 371 A CA -0.774 51.256 52.037 -0.011 0.000 0.704 371 A CB 1.079 20.074 19.000 -0.009 0.000 1.300 371 A HN 0.135 nan 8.150 nan 0.000 0.406 372 L N 1.895 123.109 121.223 -0.015 0.000 2.389 372 L HA 0.347 4.687 4.340 -0.001 0.000 0.265 372 L C 0.793 177.654 176.870 -0.014 0.000 1.167 372 L CA -0.113 54.717 54.840 -0.017 0.000 1.045 372 L CB -0.124 41.925 42.059 -0.017 0.000 1.351 372 L HN 0.682 nan 8.230 nan 0.000 0.419 373 R N 4.871 125.363 120.500 -0.014 0.000 2.267 373 R HA 0.278 4.618 4.340 -0.001 0.000 0.319 373 R C -2.160 174.133 176.300 -0.011 0.000 1.067 373 R CA -1.309 54.784 56.100 -0.012 0.000 0.936 373 R CB 0.825 31.119 30.300 -0.011 0.000 1.006 373 R HN 0.197 nan 8.270 nan 0.000 0.452 374 P HA 0.089 nan 4.420 nan 0.000 0.280 374 P C -1.118 176.179 177.300 -0.004 0.000 1.386 374 P CA -0.182 62.915 63.100 -0.006 0.000 0.899 374 P CB 1.209 32.906 31.700 -0.005 0.000 1.098 375 V N 4.871 124.783 119.914 -0.004 0.000 2.823 375 V HA 0.456 4.576 4.120 -0.001 0.000 0.312 375 V C -0.168 175.929 176.094 0.004 0.000 1.072 375 V CA -1.150 61.149 62.300 -0.002 0.000 0.937 375 V CB 2.576 34.395 31.823 -0.006 0.000 1.013 375 V HN 0.373 nan 8.190 nan 0.000 0.430 376 R N 6.006 126.512 120.500 0.010 0.000 2.297 376 R HA 0.487 4.827 4.340 -0.001 0.000 0.308 376 R C -2.344 173.970 176.300 0.023 0.000 1.029 376 R CA -1.427 54.684 56.100 0.018 0.000 0.929 376 R CB 1.407 31.719 30.300 0.020 0.000 1.046 376 R HN 0.588 nan 8.270 nan 0.000 0.461 377 P HA 0.172 nan 4.420 nan 0.000 0.278 377 P C 0.192 177.531 177.300 0.064 0.000 1.266 377 P CA -0.147 62.980 63.100 0.046 0.000 0.807 377 P CB 0.966 32.704 31.700 0.063 0.000 1.094 378 G N -0.497 108.355 108.800 0.087 0.000 2.163 378 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.213 378 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.213 378 G C 0.229 175.176 174.900 0.078 0.000 0.991 378 G CA -0.507 44.648 45.100 0.090 0.000 0.653 378 G HN 0.585 nan 8.290 nan 0.000 0.518 379 R N 0.388 120.932 120.500 0.073 0.000 2.643 379 R HA 0.575 4.915 4.340 -0.001 0.000 0.270 379 R C 0.298 176.655 176.300 0.096 0.000 1.061 379 R CA 0.885 57.029 56.100 0.074 0.000 1.107 379 R CB 0.938 31.273 30.300 0.058 0.000 0.999 379 R HN 0.802 nan 8.270 nan 0.000 0.460 380 A N 2.605 125.490 122.820 0.108 0.000 2.549 380 A HA 0.697 5.017 4.320 -0.001 0.000 0.297 380 A C -1.698 175.998 177.584 0.185 0.000 1.061 380 A CA -0.569 51.540 52.037 0.119 0.000 0.690 380 A CB 1.500 20.546 19.000 0.076 0.000 1.287 380 A HN 0.616 nan 8.150 nan 0.000 0.402 381 F N 2.522 122.465 119.950 -0.012 0.000 2.604 381 F HA 0.621 5.148 4.527 -0.001 0.000 0.316 381 F C -2.420 173.361 175.800 -0.032 0.000 1.136 381 F CA -1.605 56.380 58.000 -0.025 0.000 0.989 381 F CB 2.730 41.707 39.000 -0.039 0.000 1.258 381 F HN 0.380 nan 8.300 nan 0.000 0.451 382 P HA 0.061 nan 4.420 nan 0.000 0.271 382 P C -0.873 176.386 177.300 -0.069 0.000 1.380 382 P CA 0.047 63.009 63.100 -0.231 0.000 0.992 382 P CB 0.681 32.194 31.700 -0.311 0.000 1.230 383 Q N 2.953 122.784 119.800 0.052 0.000 2.304 383 Q HA -0.056 4.284 4.340 -0.001 0.000 0.301 383 Q C 0.885 176.946 176.000 0.102 0.000 1.063 383 Q CA 0.370 56.225 55.803 0.086 0.000 0.947 383 Q CB 0.603 29.341 28.738 0.001 0.000 1.201 383 Q HN 0.500 nan 8.270 nan 0.000 0.389 384 R N 3.416 123.977 120.500 0.102 0.000 2.585 384 R HA 0.150 4.490 4.340 -0.001 0.000 0.275 384 R C -2.321 174.101 176.300 0.204 0.000 1.018 384 R CA -1.115 55.041 56.100 0.094 0.000 1.072 384 R CB -0.434 29.860 30.300 -0.011 0.000 0.953 384 R HN 0.243 nan 8.270 nan 0.000 0.419 385 P HA 0.037 nan 4.420 nan 0.000 0.277 385 P C -0.873 176.489 177.300 0.103 0.000 1.240 385 P CA -0.681 62.518 63.100 0.166 0.000 0.798 385 P CB 0.767 32.531 31.700 0.106 0.000 0.979 386 L N 5.137 126.333 121.223 -0.044 0.000 2.315 386 L HA 0.355 4.695 4.340 -0.001 0.000 0.283 386 L C -1.946 174.932 176.870 0.014 0.000 1.089 386 L CA -1.976 52.771 54.840 -0.155 0.000 0.833 386 L CB -0.338 41.474 42.059 -0.412 0.000 1.170 386 L HN 0.299 nan 8.230 nan 0.000 0.442 387 P HA 0.069 nan 4.420 nan 0.000 0.272 387 P C 0.217 177.576 177.300 0.100 0.000 1.230 387 P CA -0.298 62.856 63.100 0.090 0.000 0.788 387 P CB 0.885 32.645 31.700 0.099 0.000 0.949 388 E N 1.178 121.391 120.200 0.022 0.000 2.031 388 E HA -0.080 4.270 4.350 -0.001 0.000 0.193 388 E C 0.315 176.830 176.600 -0.141 0.000 0.994 388 E CA 0.845 57.218 56.400 -0.045 0.000 0.800 388 E CB -0.101 29.572 29.700 -0.044 0.000 0.752 388 E HN 0.632 nan 8.360 nan 0.000 0.447 389 A N 0.130 122.889 122.820 -0.102 0.000 2.330 389 A HA 0.501 4.821 4.320 -0.001 0.000 0.327 389 A C -1.153 176.440 177.584 0.014 0.000 1.155 389 A CA -0.623 51.320 52.037 -0.155 0.000 0.803 389 A CB 0.571 19.521 19.000 -0.082 0.000 1.208 389 A HN 0.169 nan 8.150 nan 0.000 0.477 390 F N 1.075 120.965 119.950 -0.101 0.000 2.421 390 F HA 0.516 5.043 4.527 -0.000 0.000 0.358 390 F C 1.397 177.116 175.800 -0.135 0.000 1.115 390 F CA -0.782 57.118 58.000 -0.166 0.000 1.160 390 F CB 0.444 39.301 39.000 -0.238 0.000 1.123 390 F HN 0.719 nan 8.300 nan 0.000 0.508 391 R N 5.139 125.675 120.500 0.060 0.000 2.565 391 R HA 0.556 4.896 4.340 -0.001 0.000 0.286 391 R C -0.562 175.731 176.300 -0.011 0.000 1.256 391 R CA -0.398 55.708 56.100 0.009 0.000 1.238 391 R CB -0.876 29.420 30.300 -0.006 0.000 1.153 391 R HN 0.743 nan 8.270 nan 0.000 0.553 392 L N 2.062 123.248 121.223 -0.061 0.000 2.349 392 L HA 0.461 4.801 4.340 -0.001 0.000 0.275 392 L C 0.654 177.579 176.870 0.091 0.000 1.115 392 L CA -0.675 54.151 54.840 -0.023 0.000 0.820 392 L CB 1.351 43.371 42.059 -0.064 0.000 1.135 392 L HN 0.566 nan 8.230 nan 0.000 0.445 393 R N 2.848 123.407 120.500 0.099 0.000 2.410 393 R HA 0.605 4.944 4.340 -0.001 0.000 0.288 393 R C -0.848 175.530 176.300 0.129 0.000 1.051 393 R CA -0.550 55.622 56.100 0.120 0.000 1.021 393 R CB 1.112 31.472 30.300 0.100 0.000 1.032 393 R HN 0.480 nan 8.270 nan 0.000 0.481 394 L N 3.883 125.162 121.223 0.093 0.000 2.334 394 L HA 0.528 4.868 4.340 -0.001 0.000 0.276 394 L C -0.463 176.551 176.870 0.240 0.000 1.014 394 L CA -0.711 54.133 54.840 0.007 0.000 0.815 394 L CB 1.303 43.078 42.059 -0.473 0.000 1.268 394 L HN 0.374 nan 8.230 nan 0.000 0.428 395 L N 3.161 124.551 121.223 0.278 0.000 2.303 395 L HA 0.584 4.924 4.340 -0.001 0.000 0.266 395 L C -2.285 174.839 176.870 0.424 0.000 1.011 395 L CA -2.026 53.015 54.840 0.335 0.000 0.818 395 L CB 2.419 44.589 42.059 0.186 0.000 1.326 395 L HN 0.337 nan 8.230 nan 0.000 0.435 396 P HA 0.076 nan 4.420 nan 0.000 0.271 396 P C -0.300 177.097 177.300 0.162 0.000 1.226 396 P CA 0.007 63.178 63.100 0.119 0.000 0.765 396 P CB 0.813 32.481 31.700 -0.052 0.000 0.835 397 G N 4.410 113.314 108.800 0.173 0.000 2.557 397 G HA2 0.302 4.262 3.960 -0.001 0.000 0.292 397 G HA3 0.302 4.262 3.960 -0.001 0.000 0.292 397 G C -1.361 173.599 174.900 0.099 0.000 1.237 397 G CA -1.267 43.917 45.100 0.141 0.000 0.978 397 G HN 0.299 nan 8.290 nan 0.000 0.498 398 P HA -0.023 nan 4.420 nan 0.000 0.225 398 P C 0.404 177.670 177.300 -0.057 0.000 1.148 398 P CA 0.908 63.984 63.100 -0.040 0.000 0.779 398 P CB 0.413 31.931 31.700 -0.303 0.000 0.780 404 A N 0.038 122.919 122.820 0.101 0.000 1.873 404 A HA 0.237 4.556 4.320 -0.001 0.000 0.215 404 A C 2.172 179.838 177.584 0.137 0.000 1.186 404 A CA 1.694 53.791 52.037 0.099 0.000 0.616 404 A CB -0.799 18.252 19.000 0.085 0.000 0.823 404 A HN 0.574 nan 8.150 nan 0.000 0.442 405 F N 0.312 120.247 119.950 -0.024 0.000 2.063 405 F HA -0.350 4.177 4.527 -0.001 0.000 0.298 405 F C 3.175 178.981 175.800 0.011 0.000 1.105 405 F CA 2.542 60.530 58.000 -0.020 0.000 1.215 405 F CB -0.232 38.766 39.000 -0.003 0.000 0.972 405 F HN 0.350 nan 8.300 nan 0.000 0.483 406 R N 0.195 120.820 120.500 0.209 0.000 2.091 406 R HA -0.124 4.215 4.340 -0.001 0.000 0.238 406 R C 2.180 178.538 176.300 0.097 0.000 1.136 406 R CA 1.660 57.840 56.100 0.134 0.000 0.959 406 R CB -2.014 28.349 30.300 0.106 0.000 0.856 406 R HN 0.429 nan 8.270 nan 0.000 0.437 407 A N 0.796 123.667 122.820 0.086 0.000 1.908 407 A HA -0.010 4.310 4.320 -0.001 0.000 0.218 407 A C 2.527 180.204 177.584 0.154 0.000 1.181 407 A CA 1.588 53.681 52.037 0.093 0.000 0.627 407 A CB -0.333 18.713 19.000 0.077 0.000 0.818 407 A HN 0.489 nan 8.150 nan 0.000 0.445 408 L N -1.041 120.229 121.223 0.078 0.000 2.072 408 L HA -0.182 4.158 4.340 -0.001 0.000 0.205 408 L C 2.442 179.485 176.870 0.290 0.000 1.079 408 L CA 1.129 56.021 54.840 0.086 0.000 0.752 408 L CB -0.510 41.281 42.059 -0.447 0.000 0.906 408 L HN 0.469 nan 8.230 nan 0.000 0.436 409 C N -0.550 118.833 119.300 0.138 0.000 2.500 409 C HA -0.043 4.416 4.460 -0.001 0.000 0.273 409 C C 3.077 178.162 174.990 0.159 0.000 1.428 409 C CA 0.538 59.665 59.018 0.181 0.000 1.766 409 C CB -1.088 26.722 27.740 0.118 0.000 1.817 409 C HN 0.654 nan 8.230 nan 0.000 0.543 410 S N 0.871 116.646 115.700 0.125 0.000 2.383 410 S HA 0.152 4.622 4.470 -0.001 0.000 0.229 410 S C 0.936 175.549 174.600 0.022 0.000 1.030 410 S CA 1.400 59.637 58.200 0.062 0.000 1.002 410 S CB -0.251 62.970 63.200 0.034 0.000 0.829 410 S HN 0.733 nan 8.310 nan 0.000 0.467 411 G N 0.576 109.366 108.800 -0.017 0.000 2.548 411 G HA2 0.551 4.511 3.960 -0.001 0.000 0.301 411 G HA3 0.551 4.511 3.960 -0.001 0.000 0.301 411 G C -3.515 171.238 174.900 -0.245 0.000 1.349 411 G CA -1.074 43.957 45.100 -0.114 0.000 0.792 411 G HN 0.120 nan 8.290 nan 0.000 0.481 412 P HA 0.475 nan 4.420 nan 0.000 0.282 412 P C -1.059 175.956 177.300 -0.474 0.000 1.262 412 P CA -0.099 62.677 63.100 -0.541 0.000 0.773 412 P CB 0.817 32.212 31.700 -0.508 0.000 0.879 413 F N 1.286 121.083 119.950 -0.255 0.000 2.410 413 F HA 0.741 5.268 4.527 -0.000 0.000 0.324 413 F C 1.517 177.220 175.800 -0.162 0.000 1.093 413 F CA -0.271 57.649 58.000 -0.133 0.000 1.028 413 F CB 0.804 39.788 39.000 -0.027 0.000 1.309 413 F HN 0.234 nan 8.300 nan 0.000 0.499 414 R N -0.197 120.372 120.500 0.116 0.000 2.621 414 R HA 0.696 5.036 4.340 -0.001 0.000 0.284 414 R C -1.895 174.427 176.300 0.036 0.000 0.998 414 R CA -0.873 55.236 56.100 0.015 0.000 0.895 414 R CB 0.671 30.961 30.300 -0.017 0.000 1.195 414 R HN 0.543 nan 8.270 nan 0.000 0.450 415 V N 2.983 122.895 119.914 -0.005 0.000 2.421 415 V HA 0.370 4.490 4.120 -0.001 0.000 0.271 415 V C 1.438 177.545 176.094 0.022 0.000 1.031 415 V CA 0.796 63.104 62.300 0.013 0.000 1.032 415 V CB 0.234 32.057 31.823 0.001 0.000 1.009 415 V HN 1.130 nan 8.190 nan 0.000 0.477 416 A N 6.436 129.277 122.820 0.034 0.000 2.172 416 A HA 0.212 4.532 4.320 -0.001 0.000 0.215 416 A C 1.283 178.888 177.584 0.034 0.000 1.610 416 A CA 0.296 52.351 52.037 0.030 0.000 0.606 416 A CB -0.103 18.916 19.000 0.032 0.000 1.182 416 A HN 0.675 nan 8.150 nan 0.000 0.499 417 R N -0.388 120.133 120.500 0.036 0.000 2.500 417 R HA 0.544 4.884 4.340 -0.001 0.000 0.275 417 R C -1.093 175.240 176.300 0.056 0.000 1.051 417 R CA 0.331 56.455 56.100 0.040 0.000 1.088 417 R CB 0.866 31.186 30.300 0.033 0.000 1.063 417 R HN 0.691 nan 8.270 nan 0.000 0.511 418 A N 3.503 126.368 122.820 0.075 0.000 2.480 418 A HA 0.380 4.700 4.320 -0.001 0.000 0.289 418 A C -1.828 175.828 177.584 0.120 0.000 1.044 418 A CA -0.832 51.262 52.037 0.095 0.000 0.761 418 A CB 1.218 20.284 19.000 0.111 0.000 1.289 418 A HN 0.882 nan 8.150 nan 0.000 0.401 419 D N 0.955 121.414 120.400 0.100 0.000 3.009 419 D HA 0.349 4.988 4.640 -0.001 0.000 0.318 419 D C 0.647 177.000 176.300 0.088 0.000 1.273 419 D CA -0.638 53.427 54.000 0.108 0.000 1.001 419 D CB 0.262 41.111 40.800 0.083 0.000 1.411 419 D HN 0.242 nan 8.370 nan 0.000 0.577 420 R N -0.597 119.950 120.500 0.079 0.000 2.189 420 R HA 0.086 4.426 4.340 -0.001 0.000 0.218 420 R C 1.843 178.169 176.300 0.044 0.000 1.074 420 R CA 0.757 56.895 56.100 0.064 0.000 0.991 420 R CB -0.254 30.082 30.300 0.060 0.000 0.883 420 R HN 0.231 nan 8.270 nan 0.000 0.457 421 V N -0.365 119.572 119.914 0.038 0.000 2.488 421 V HA 0.067 4.186 4.120 -0.001 0.000 0.246 421 V C 1.138 177.244 176.094 0.021 0.000 1.046 421 V CA 1.450 63.762 62.300 0.020 0.000 1.053 421 V CB 0.062 31.893 31.823 0.015 0.000 0.679 421 V HN 0.555 nan 8.190 nan 0.000 0.458 422 G N -1.513 107.307 108.800 0.033 0.000 2.368 422 G HA2 0.447 4.407 3.960 -0.001 0.000 0.293 422 G HA3 0.447 4.407 3.960 -0.001 0.000 0.293 422 G C -1.971 172.954 174.900 0.042 0.000 1.467 422 G CA -0.434 44.685 45.100 0.033 0.000 0.804 422 G HN -0.092 nan 8.290 nan 0.000 0.535 423 V N 0.823 120.761 119.914 0.040 0.000 2.357 423 V HA 0.473 4.592 4.120 -0.001 0.000 0.284 423 V C 0.246 176.361 176.094 0.034 0.000 1.018 423 V CA -0.579 61.749 62.300 0.046 0.000 0.841 423 V CB 1.279 33.135 31.823 0.054 0.000 0.991 423 V HN 0.790 nan 8.190 nan 0.000 0.437 424 E N 4.144 124.365 120.200 0.034 0.000 2.229 424 E HA 0.470 4.820 4.350 -0.001 0.000 0.283 424 E C -1.465 175.153 176.600 0.031 0.000 1.030 424 E CA -0.649 55.766 56.400 0.025 0.000 0.836 424 E CB 1.045 30.762 29.700 0.028 0.000 1.068 424 E HN 0.413 nan 8.360 nan 0.000 0.401 425 L N 4.895 126.132 121.223 0.024 0.000 2.346 425 L HA 0.409 4.749 4.340 -0.001 0.000 0.276 425 L C -1.051 175.897 176.870 0.129 0.000 1.006 425 L CA -0.859 54.018 54.840 0.061 0.000 0.817 425 L CB 1.419 43.459 42.059 -0.031 0.000 1.272 425 L HN 0.460 nan 8.230 nan 0.000 0.421 426 L N 0.741 122.077 121.223 0.189 0.000 2.365 426 L HA 1.133 5.473 4.340 -0.001 0.000 0.273 426 L C 0.200 177.214 176.870 0.240 0.000 1.000 426 L CA -0.237 54.717 54.840 0.190 0.000 0.819 426 L CB 1.462 43.571 42.059 0.084 0.000 1.284 426 L HN 0.658 nan 8.230 nan 0.000 0.418 427 G N 1.196 110.093 108.800 0.161 0.000 2.452 427 G HA2 0.382 4.342 3.960 -0.001 0.000 0.224 427 G HA3 0.382 4.342 3.960 -0.001 0.000 0.224 427 G C -3.062 171.725 174.900 -0.189 0.000 1.208 427 G CA -0.528 44.464 45.100 -0.181 0.000 0.946 427 G HN 0.564 nan 8.290 nan 0.000 0.481 428 P HA 0.472 nan 4.420 nan 0.000 0.265 428 P C 0.200 177.531 177.300 0.051 0.000 1.187 428 P CA 0.773 63.758 63.100 -0.190 0.000 0.766 428 P CB 0.164 31.703 31.700 -0.270 0.000 0.820 429 E N 1.821 122.043 120.200 0.038 0.000 2.415 429 E HA 0.310 4.659 4.350 -0.001 0.000 0.263 429 E C -0.327 176.323 176.600 0.084 0.000 0.995 429 E CA -0.290 56.148 56.400 0.063 0.000 0.915 429 E CB 0.052 29.769 29.700 0.027 0.000 0.951 429 E HN 0.334 nan 8.360 nan 0.000 0.449 430 V N 4.902 124.866 119.914 0.083 0.000 2.540 430 V HA 0.548 4.668 4.120 -0.001 0.000 0.302 430 V C -2.188 173.919 176.094 0.021 0.000 1.035 430 V CA -1.644 60.691 62.300 0.059 0.000 0.873 430 V CB 1.860 33.712 31.823 0.047 0.000 0.992 430 V HN 0.881 nan 8.190 nan 0.000 0.428 431 P HA 0.371 nan 4.420 nan 0.000 0.276 431 P C 0.030 177.331 177.300 0.001 0.000 1.243 431 P CA 0.360 63.466 63.100 0.009 0.000 0.768 431 P CB 1.612 33.321 31.700 0.016 0.000 0.856 432 G N 1.272 110.068 108.800 -0.006 0.000 3.135 432 G HA2 0.822 4.782 3.960 -0.001 0.000 0.159 432 G HA3 0.822 4.782 3.960 -0.001 0.000 0.159 432 G C -0.405 174.502 174.900 0.012 0.000 1.244 432 G CA -0.499 44.598 45.100 -0.005 0.000 0.965 432 G HN 0.791 nan 8.290 nan 0.000 0.599 433 G N -1.461 107.359 108.800 0.034 0.000 2.317 433 G HA2 0.553 4.513 3.960 -0.001 0.000 0.293 433 G HA3 0.553 4.513 3.960 -0.001 0.000 0.293 433 G C -1.668 173.310 174.900 0.129 0.000 1.287 433 G CA 0.174 45.308 45.100 0.057 0.000 0.850 433 G HN 1.156 nan 8.290 nan 0.000 0.515 434 E N -1.443 118.820 120.200 0.104 0.000 2.388 434 E HA 0.700 5.050 4.350 -0.001 0.000 0.280 434 E C -0.204 176.408 176.600 0.020 0.000 1.019 434 E CA -0.618 55.850 56.400 0.112 0.000 0.806 434 E CB 1.667 31.485 29.700 0.196 0.000 1.246 434 E HN 1.716 nan 8.360 nan 0.000 0.443 435 G N 0.911 109.697 108.800 -0.022 0.000 2.753 435 G HA2 0.408 4.368 3.960 -0.001 0.000 0.303 435 G HA3 0.408 4.368 3.960 -0.001 0.000 0.303 435 G C -1.016 173.822 174.900 -0.104 0.000 1.242 435 G CA -1.187 43.873 45.100 -0.066 0.000 0.810 435 G HN 0.438 nan 8.290 nan 0.000 0.515 436 L N 1.207 122.337 121.223 -0.155 0.000 2.529 436 L HA 0.157 4.496 4.340 -0.001 0.000 0.287 436 L C 1.007 177.841 176.870 -0.061 0.000 1.241 436 L CA -0.010 54.694 54.840 -0.227 0.000 0.857 436 L CB 0.732 42.529 42.059 -0.436 0.000 1.113 436 L HN 0.411 nan 8.230 nan 0.000 0.504 437 S N 2.051 117.788 115.700 0.061 0.000 2.549 437 S HA 0.102 4.571 4.470 -0.001 0.000 0.286 437 S C -0.199 174.575 174.600 0.289 0.000 1.314 437 S CA -0.339 57.994 58.200 0.221 0.000 1.062 437 S CB 0.200 63.642 63.200 0.402 0.000 0.865 437 S HN 0.579 nan 8.310 nan 0.000 0.498 438 E N 2.494 122.801 120.200 0.177 0.000 2.393 438 E HA 0.532 4.881 4.350 -0.001 0.000 0.273 438 E C -3.276 173.402 176.600 0.131 0.000 0.918 438 E CA -2.894 53.613 56.400 0.178 0.000 0.773 438 E CB 0.927 30.681 29.700 0.091 0.000 1.275 438 E HN 0.148 nan 8.360 nan 0.000 0.451 439 P HA -0.016 nan 4.420 nan 0.000 0.264 439 P C -0.391 176.830 177.300 -0.132 0.000 1.193 439 P CA 0.198 63.298 63.100 -0.001 0.000 0.763 439 P CB 0.289 31.986 31.700 -0.005 0.000 0.810 440 T N 2.752 117.203 114.554 -0.172 0.000 2.814 440 T HA 0.355 4.705 4.350 -0.001 0.000 0.297 440 T C -2.048 172.467 174.700 -0.308 0.000 0.956 440 T CA -1.677 60.328 62.100 -0.158 0.000 1.123 440 T CB 0.045 68.849 68.868 -0.107 0.000 0.902 440 T HN 0.209 nan 8.240 nan 0.000 0.528 441 P HA 0.272 nan 4.420 nan 0.000 0.279 441 P C -0.321 176.977 177.300 -0.003 0.000 1.282 441 P CA -0.977 62.005 63.100 -0.196 0.000 0.788 441 P CB 0.585 32.332 31.700 0.077 0.000 1.139 442 L N 0.554 121.848 121.223 0.118 0.000 2.418 442 L HA 0.361 4.700 4.340 -0.001 0.000 0.274 442 L C 1.316 178.234 176.870 0.079 0.000 1.135 442 L CA 1.087 55.989 54.840 0.102 0.000 0.870 442 L CB -1.053 41.080 42.059 0.124 0.000 1.154 442 L HN 0.808 nan 8.230 nan 0.000 0.462 443 G N 3.227 112.061 108.800 0.056 0.000 2.283 443 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.280 443 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.280 443 G C 0.592 175.516 174.900 0.041 0.000 1.029 443 G CA 0.233 45.362 45.100 0.049 0.000 0.840 443 G HN 1.215 nan 8.290 nan 0.000 0.505 444 G N -1.181 107.639 108.800 0.034 0.000 2.441 444 G HA2 0.520 4.480 3.960 -0.001 0.000 0.243 444 G HA3 0.520 4.480 3.960 -0.001 0.000 0.243 444 G C 0.214 175.111 174.900 -0.005 0.000 1.281 444 G CA 0.089 45.205 45.100 0.026 0.000 0.854 444 G HN 0.949 nan 8.290 nan 0.000 0.560 445 V N 3.142 123.033 119.914 -0.039 0.000 2.353 445 V HA 0.183 4.303 4.120 -0.001 0.000 0.264 445 V C 0.485 176.538 176.094 -0.069 0.000 1.049 445 V CA -0.322 61.920 62.300 -0.097 0.000 0.896 445 V CB 0.844 32.528 31.823 -0.231 0.000 1.025 445 V HN 0.806 nan 8.190 nan 0.000 0.475 446 Q N 4.142 123.918 119.800 -0.040 0.000 2.296 446 Q HA 0.482 4.822 4.340 -0.001 0.000 0.257 446 Q C -1.259 174.723 176.000 -0.029 0.000 0.942 446 Q CA -0.362 55.441 55.803 0.001 0.000 0.939 446 Q CB 1.571 30.337 28.738 0.048 0.000 1.198 446 Q HN 0.625 nan 8.270 nan 0.000 0.429 447 V N 7.476 127.376 119.914 -0.024 0.000 2.326 447 V HA 0.348 4.468 4.120 -0.001 0.000 0.281 447 V C -2.217 173.834 176.094 -0.072 0.000 1.015 447 V CA -1.797 60.467 62.300 -0.061 0.000 0.823 447 V CB 1.016 32.804 31.823 -0.059 0.000 1.009 447 V HN 0.791 nan 8.190 nan 0.000 0.436 448 P HA 0.221 nan 4.420 nan 0.000 0.274 448 P C -1.846 175.340 177.300 -0.190 0.000 1.260 448 P CA -1.272 61.583 63.100 -0.409 0.000 0.793 448 P CB 0.231 31.480 31.700 -0.752 0.000 1.048 449 P HA -0.079 nan 4.420 nan 0.000 0.215 449 P C -0.044 177.217 177.300 -0.065 0.000 1.157 449 P CA 1.611 64.677 63.100 -0.056 0.000 0.859 449 P CB -0.034 31.660 31.700 -0.009 0.000 0.786 450 S N -0.985 114.660 115.700 -0.092 0.000 2.745 450 S HA 0.716 5.186 4.470 -0.001 0.000 0.283 450 S C -0.182 174.363 174.600 -0.092 0.000 1.170 450 S CA -0.287 57.875 58.200 -0.064 0.000 1.119 450 S CB 1.171 64.353 63.200 -0.030 0.000 1.035 450 S HN 0.418 nan 8.310 nan 0.000 0.483 451 G N 0.759 109.507 108.800 -0.086 0.000 2.325 451 G HA2 0.585 4.545 3.960 -0.001 0.000 0.297 451 G HA3 0.585 4.545 3.960 -0.001 0.000 0.297 451 G C -0.769 174.095 174.900 -0.060 0.000 1.448 451 G CA -0.440 44.609 45.100 -0.085 0.000 0.838 451 G HN 0.964 nan 8.290 nan 0.000 0.579 452 R N 0.090 120.569 120.500 -0.036 0.000 2.543 452 R HA 0.744 5.083 4.340 -0.001 0.000 0.277 452 R C -2.260 174.017 176.300 -0.040 0.000 1.074 452 R CA -0.799 55.295 56.100 -0.010 0.000 1.076 452 R CB -0.830 29.477 30.300 0.013 0.000 0.993 452 R HN 0.568 nan 8.270 nan 0.000 0.459 453 P HA 0.216 nan 4.420 nan 0.000 0.269 453 P C -0.990 176.266 177.300 -0.073 0.000 1.209 453 P CA -0.312 62.729 63.100 -0.098 0.000 0.776 453 P CB 0.665 32.246 31.700 -0.198 0.000 0.876 454 L N 4.225 125.411 121.223 -0.060 0.000 2.446 454 L HA 0.324 4.664 4.340 -0.001 0.000 0.268 454 L C -1.180 175.678 176.870 -0.020 0.000 0.975 454 L CA -0.614 54.212 54.840 -0.023 0.000 0.848 454 L CB 1.682 43.742 42.059 0.002 0.000 1.225 454 L HN 0.008 nan 8.230 nan 0.000 0.410 455 V N 6.111 126.021 119.914 -0.005 0.000 2.455 455 V HA 0.303 4.423 4.120 -0.001 0.000 0.273 455 V C 0.393 176.497 176.094 0.016 0.000 1.045 455 V CA -0.362 61.943 62.300 0.008 0.000 0.976 455 V CB 0.960 32.810 31.823 0.045 0.000 0.993 455 V HN 0.581 nan 8.190 nan 0.000 0.475 456 L N 6.452 127.682 121.223 0.012 0.000 2.292 456 L HA 0.534 4.873 4.340 -0.001 0.000 0.284 456 L C -0.038 176.842 176.870 0.016 0.000 1.065 456 L CA 0.003 54.849 54.840 0.010 0.000 0.806 456 L CB 0.912 42.970 42.059 -0.002 0.000 1.175 456 L HN 0.487 nan 8.230 nan 0.000 0.431 457 L N 1.447 122.680 121.223 0.017 0.000 2.293 457 L HA 0.547 4.887 4.340 -0.001 0.000 0.264 457 L C 1.514 178.394 176.870 0.018 0.000 1.029 457 L CA -0.694 54.161 54.840 0.025 0.000 0.897 457 L CB 0.970 43.049 42.059 0.035 0.000 1.497 457 L HN 0.664 nan 8.230 nan 0.000 0.495 458 A N -0.499 122.337 122.820 0.026 0.000 1.997 458 A HA -0.211 4.108 4.320 -0.001 0.000 0.221 458 A C 1.118 178.701 177.584 -0.002 0.000 1.172 458 A CA 2.195 54.240 52.037 0.014 0.000 0.645 458 A CB -0.589 18.425 19.000 0.024 0.000 0.813 458 A HN 0.776 nan 8.150 nan 0.000 0.454 459 D N -0.583 119.819 120.400 0.003 0.000 2.388 459 D HA 0.111 4.751 4.640 -0.001 0.000 0.221 459 D C 0.452 176.736 176.300 -0.026 0.000 1.133 459 D CA -0.018 53.977 54.000 -0.009 0.000 0.831 459 D CB 0.033 40.837 40.800 0.007 0.000 0.962 459 D HN 0.731 nan 8.370 nan 0.000 0.502 460 K N -0.140 120.241 120.400 -0.032 0.000 2.336 460 K HA 0.304 4.623 4.320 -0.001 0.000 0.262 460 K C 0.749 177.290 176.600 -0.099 0.000 0.992 460 K CA -0.390 55.863 56.287 -0.057 0.000 0.927 460 K CB 0.567 33.038 32.500 -0.048 0.000 0.956 460 K HN -0.090 nan 8.250 nan 0.000 0.495 461 G N 0.855 109.560 108.800 -0.159 0.000 2.483 461 G HA2 0.076 4.036 3.960 -0.001 0.000 0.248 461 G HA3 0.076 4.036 3.960 -0.001 0.000 0.248 461 G C 0.468 175.242 174.900 -0.210 0.000 1.248 461 G CA -0.767 44.187 45.100 -0.243 0.000 0.838 461 G HN 0.657 nan 8.290 nan 0.000 0.566 462 S N 0.502 116.085 115.700 -0.194 0.000 2.368 462 S HA -0.014 4.456 4.470 -0.001 0.000 0.225 462 S C 1.059 175.587 174.600 -0.121 0.000 1.030 462 S CA 0.682 58.803 58.200 -0.132 0.000 0.999 462 S CB -0.250 62.886 63.200 -0.107 0.000 0.844 462 S HN 0.377 nan 8.310 nan 0.000 0.459 463 L N 0.402 121.535 121.223 -0.150 0.000 2.331 463 L HA 0.723 5.063 4.340 -0.001 0.000 0.275 463 L C 0.169 176.991 176.870 -0.081 0.000 1.022 463 L CA -0.671 54.148 54.840 -0.033 0.000 0.812 463 L CB 1.799 43.931 42.059 0.122 0.000 1.257 463 L HN 0.200 nan 8.230 nan 0.000 0.435 464 G N 0.041 108.857 108.800 0.026 0.000 2.719 464 G HA2 0.471 4.430 3.960 -0.001 0.000 0.298 464 G HA3 0.471 4.430 3.960 -0.001 0.000 0.298 464 G C 0.151 175.069 174.900 0.030 0.000 1.411 464 G CA -0.017 45.092 45.100 0.016 0.000 0.991 464 G HN 0.711 nan 8.290 nan 0.000 0.509 465 G N -0.253 108.507 108.800 -0.067 0.000 2.545 465 G HA2 0.199 4.159 3.960 -0.001 0.000 0.212 465 G HA3 0.199 4.159 3.960 -0.001 0.000 0.212 465 G C 0.240 175.064 174.900 -0.126 0.000 1.144 465 G CA 0.213 45.223 45.100 -0.149 0.000 0.813 465 G HN 0.461 nan 8.290 nan 0.000 0.531 466 Y N 1.019 121.350 120.300 0.052 0.000 2.379 466 Y HA 0.525 5.075 4.550 -0.000 0.000 0.337 466 Y C 0.965 176.867 175.900 0.002 0.000 1.238 466 Y CA -1.286 56.828 58.100 0.024 0.000 1.405 466 Y CB 0.509 38.985 38.460 0.027 0.000 1.310 466 Y HN 0.174 nan 8.280 nan 0.000 0.569 467 A N 2.687 125.611 122.820 0.172 0.000 2.445 467 A HA 0.353 4.673 4.320 -0.001 0.000 0.242 467 A C -0.168 177.446 177.584 0.050 0.000 1.075 467 A CA -0.527 51.553 52.037 0.071 0.000 0.777 467 A CB -0.061 18.966 19.000 0.046 0.000 1.013 467 A HN 0.787 nan 8.150 nan 0.000 0.493 468 K N 3.004 123.417 120.400 0.021 0.000 2.624 468 K HA 0.267 4.587 4.320 -0.001 0.000 0.200 468 K C -2.233 174.380 176.600 0.021 0.000 1.036 468 K CA -1.496 54.801 56.287 0.016 0.000 1.029 468 K CB 1.788 34.301 32.500 0.022 0.000 1.317 468 K HN 0.457 nan 8.250 nan 0.000 0.555 469 P HA -0.151 nan 4.420 nan 0.000 0.218 469 P C -0.055 177.319 177.300 0.122 0.000 1.149 469 P CA 0.914 64.049 63.100 0.057 0.000 0.817 469 P CB 0.419 32.146 31.700 0.045 0.000 0.785 470 A N -0.851 122.007 122.820 0.062 0.000 2.485 470 A HA 0.736 5.055 4.320 -0.001 0.000 0.292 470 A C -1.202 176.407 177.584 0.042 0.000 1.147 470 A CA -0.730 51.367 52.037 0.101 0.000 0.750 470 A CB 1.005 19.935 19.000 -0.118 0.000 1.331 470 A HN -0.033 nan 8.150 nan 0.000 0.419 471 L N 0.721 121.993 121.223 0.082 0.000 2.386 471 L HA 0.516 4.856 4.340 -0.001 0.000 0.271 471 L C -0.684 176.219 176.870 0.055 0.000 0.993 471 L CA -1.159 53.723 54.840 0.070 0.000 0.819 471 L CB 1.854 43.984 42.059 0.118 0.000 1.294 471 L HN 0.422 nan 8.230 nan 0.000 0.414 472 V N 1.351 121.295 119.914 0.050 0.000 2.555 472 V HA -0.002 4.118 4.120 -0.001 0.000 0.286 472 V C 0.411 176.553 176.094 0.080 0.000 1.044 472 V CA -0.202 62.145 62.300 0.078 0.000 1.026 472 V CB 1.098 32.974 31.823 0.088 0.000 0.981 472 V HN 0.708 nan 8.190 nan 0.000 0.480 473 D N 7.846 128.298 120.400 0.087 0.000 2.533 473 D HA -0.001 4.639 4.640 -0.001 0.000 0.236 473 D C -1.248 175.098 176.300 0.076 0.000 1.137 473 D CA -1.246 52.804 54.000 0.083 0.000 0.867 473 D CB 1.687 42.538 40.800 0.085 0.000 1.170 473 D HN 0.292 nan 8.370 nan 0.000 0.474 474 P HA -0.104 nan 4.420 nan 0.000 0.225 474 P C 0.910 178.268 177.300 0.097 0.000 1.148 474 P CA 0.781 63.925 63.100 0.073 0.000 0.779 474 P CB 0.224 31.955 31.700 0.052 0.000 0.780 475 R N -0.368 120.193 120.500 0.101 0.000 2.307 475 R HA -0.005 4.335 4.340 -0.001 0.000 0.199 475 R C 0.681 177.127 176.300 0.243 0.000 1.000 475 R CA 0.728 56.914 56.100 0.142 0.000 1.023 475 R CB -0.203 30.158 30.300 0.102 0.000 0.908 475 R HN 0.183 nan 8.270 nan 0.000 0.473 476 D N -0.186 120.302 120.400 0.146 0.000 2.433 476 D HA 0.077 4.717 4.640 -0.001 0.000 0.211 476 D C 1.525 177.750 176.300 -0.126 0.000 1.114 476 D CA 0.096 54.107 54.000 0.017 0.000 0.837 476 D CB 0.406 41.192 40.800 -0.023 0.000 0.984 476 D HN 0.094 nan 8.370 nan 0.000 0.505 477 L N 1.042 122.278 121.223 0.021 0.000 2.275 477 L HA -0.072 4.268 4.340 -0.001 0.000 0.215 477 L C 2.460 179.310 176.870 -0.034 0.000 1.119 477 L CA 0.685 55.520 54.840 -0.008 0.000 0.790 477 L CB -0.365 41.729 42.059 0.059 0.000 0.919 477 L HN 0.314 nan 8.230 nan 0.000 0.443 478 W N 0.318 121.574 121.300 -0.074 0.000 2.363 478 W HA -0.178 4.482 4.660 -0.000 0.000 0.296 478 W C 1.693 178.112 176.519 -0.167 0.000 1.212 478 W CA 0.512 57.809 57.345 -0.081 0.000 1.260 478 W CB -1.197 28.224 29.460 -0.065 0.000 1.131 478 W HN 0.125 nan 8.180 nan 0.000 0.530 479 L N 1.137 121.526 121.223 -1.390 0.000 2.042 479 L HA -0.249 4.090 4.340 -0.001 0.000 0.210 479 L C 2.844 179.152 176.870 -0.936 0.000 1.076 479 L CA 1.506 55.347 54.840 -1.664 0.000 0.749 479 L CB -0.901 40.047 42.059 -1.853 0.000 0.893 479 L HN -0.056 nan 8.230 nan 0.000 0.432 480 L N -0.709 120.228 121.223 -0.477 0.000 2.362 480 L HA -0.068 4.271 4.340 -0.001 0.000 0.219 480 L C 2.465 179.307 176.870 -0.047 0.000 1.134 480 L CA 0.738 55.492 54.840 -0.143 0.000 0.807 480 L CB -0.891 41.130 42.059 -0.062 0.000 0.927 480 L HN 0.308 nan 8.230 nan 0.000 0.447 481 G N -1.033 107.734 108.800 -0.056 0.000 2.534 481 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.217 481 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.217 481 G C 1.288 176.225 174.900 0.061 0.000 1.128 481 G CA 0.150 45.281 45.100 0.051 0.000 0.784 481 G HN 0.279 nan 8.290 nan 0.000 0.542 482 Q N 0.162 119.958 119.800 -0.005 0.000 2.186 482 Q HA 0.408 4.747 4.340 -0.001 0.000 0.241 482 Q C 0.446 176.529 176.000 0.138 0.000 0.849 482 Q CA -0.291 55.539 55.803 0.045 0.000 1.053 482 Q CB 0.960 29.705 28.738 0.012 0.000 1.146 482 Q HN 0.345 nan 8.270 nan 0.000 0.475 483 A N 1.470 124.385 122.820 0.157 0.000 2.409 483 A HA 0.432 4.752 4.320 -0.001 0.000 0.262 483 A C 0.061 177.720 177.584 0.126 0.000 1.113 483 A CA -0.102 52.071 52.037 0.226 0.000 0.790 483 A CB 0.408 19.519 19.000 0.185 0.000 1.046 483 A HN 0.231 nan 8.150 nan 0.000 0.496 484 R N 2.732 123.281 120.500 0.080 0.000 2.670 484 R HA 0.479 4.818 4.340 -0.001 0.000 0.289 484 R C -2.979 173.356 176.300 0.059 0.000 0.965 484 R CA -2.188 53.965 56.100 0.089 0.000 0.899 484 R CB 1.553 31.881 30.300 0.047 0.000 1.173 484 R HN 0.374 nan 8.270 nan 0.000 0.456 485 P HA 0.003 nan 4.420 nan 0.000 0.258 485 P C 0.167 177.475 177.300 0.013 0.000 1.172 485 P CA 1.361 64.489 63.100 0.047 0.000 0.762 485 P CB 0.619 32.352 31.700 0.054 0.000 0.764 486 G N 1.622 110.414 108.800 -0.014 0.000 2.278 486 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.210 486 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.210 486 G C 0.111 174.962 174.900 -0.083 0.000 1.000 486 G CA -0.286 44.791 45.100 -0.037 0.000 0.635 486 G HN 0.508 nan 8.290 nan 0.000 0.495 487 V N 2.311 122.152 119.914 -0.121 0.000 2.673 487 V HA 0.277 4.397 4.120 -0.001 0.000 0.303 487 V C 0.773 176.720 176.094 -0.245 0.000 1.046 487 V CA 0.427 62.580 62.300 -0.246 0.000 1.126 487 V CB 1.240 32.830 31.823 -0.389 0.000 0.934 487 V HN 0.419 nan 8.190 nan 0.000 0.487 488 E N 4.509 124.552 120.200 -0.262 0.000 2.301 488 E HA 0.544 4.893 4.350 -0.001 0.000 0.275 488 E C -0.800 175.666 176.600 -0.225 0.000 1.030 488 E CA -0.375 55.907 56.400 -0.195 0.000 0.852 488 E CB 1.690 31.325 29.700 -0.108 0.000 1.060 488 E HN 0.502 nan 8.360 nan 0.000 0.401 489 I N 2.601 123.044 120.570 -0.212 0.000 2.545 489 I HA 0.284 4.454 4.170 -0.001 0.000 0.292 489 I C -0.365 175.543 176.117 -0.349 0.000 1.040 489 I CA -0.709 60.453 61.300 -0.229 0.000 1.068 489 I CB 1.603 39.420 38.000 -0.306 0.000 1.251 489 I HN 0.382 nan 8.210 nan 0.000 0.424 490 H N 5.503 124.399 119.070 -0.290 0.000 2.529 490 H HA 0.428 4.984 4.556 -0.000 0.000 0.348 490 H C -1.341 173.813 175.328 -0.290 0.000 1.079 490 H CA -0.542 55.394 56.048 -0.187 0.000 1.198 490 H CB 2.193 31.908 29.762 -0.079 0.000 1.521 490 H HN 0.283 nan 8.280 nan 0.000 0.514 491 F N 1.638 121.675 119.950 0.144 0.000 2.422 491 F HA 0.349 4.875 4.527 -0.001 0.000 0.333 491 F C 0.841 176.663 175.800 0.036 0.000 1.095 491 F CA -0.353 57.671 58.000 0.041 0.000 1.038 491 F CB 1.995 40.971 39.000 -0.039 0.000 1.156 491 F HN 0.438 nan 8.300 nan 0.000 0.483 492 T N -1.698 112.982 114.554 0.210 0.000 2.864 492 T HA 0.557 4.906 4.350 -0.001 0.000 0.299 492 T C -0.491 174.287 174.700 0.129 0.000 1.166 492 T CA -0.943 61.242 62.100 0.142 0.000 1.007 492 T CB 1.630 70.567 68.868 0.115 0.000 1.219 492 T HN 0.495 nan 8.240 nan 0.000 0.506 493 S N 0.000 115.798 115.700 0.164 0.000 2.498 493 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 493 S CA 0.000 58.345 58.200 0.242 0.000 1.107 493 S CB 0.000 63.381 63.200 0.302 0.000 0.593 493 S HN 0.000 nan 8.310 nan 0.000 0.517