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 3ku9_1_A DATA FIRST_RESID 2 DATA SEQUENCE TVGPRVIVVG AGMSGISAAK RLSEAGITDL LILEATDHIG GRMHKTNFAG DATA SEQUENCE INVELGANWV EGVNGGKMNP IWPIVNSTLK LRNFRSDFDY LAQNVYKEDG DATA SEQUENCE GVYDEDYVQK RIELADSVEE MGEKLSATLH ASGRDDMSIL AMQRLNEHQP DATA SEQUENCE NGPATPVDMV VDYYKFDYEF AEPPRVTSLQ NTVPLATFSD FGDDVYFVAD DATA SEQUENCE QRGYEAVVYY LAGQYLKTDD KSGKIVDPRL QLNKVVREIK YSPGGVTVKT DATA SEQUENCE EDNSVYSADY VMVSASLGVL QSDLIQFKPK LPTWKVRAIY QFDMAVYTMI DATA SEQUENCE FLKFPRKFWP EGKGREFFLY ASSRRGYYGV WQEFEKQYPD ANVLLVTVTD DATA SEQUENCE EESRRIEQQS DEQTKAEIMQ VLRKMFPGKD VPDATDILVP RWWSDRFYKG DATA SEQUENCE TFSNWPVGVN RYEYDQLRAP VGRVYFTGEH TSEHYNGYVH GAYLSGIDSA DATA SEQUENCE EILINcAQKK McKYHVQ 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 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.705 174.700 0.008 0.000 1.109 2 T CA 0.000 62.106 62.100 0.010 0.000 1.349 2 T CB 0.000 68.873 68.868 0.008 0.000 0.612 3 V N 1.152 121.071 119.914 0.008 0.000 2.697 3 V HA 0.775 4.894 4.120 -0.001 0.000 0.300 3 V C 0.475 176.574 176.094 0.009 0.000 1.115 3 V CA 0.371 62.675 62.300 0.007 0.000 0.912 3 V CB 1.072 32.898 31.823 0.005 0.000 1.024 3 V HN 0.996 nan 8.190 nan 0.000 0.431 4 G N 6.362 115.168 108.800 0.010 0.000 2.278 4 G HA2 0.173 4.132 3.960 -0.001 0.000 0.265 4 G HA3 0.173 4.132 3.960 -0.001 0.000 0.265 4 G C -3.186 171.726 174.900 0.019 0.000 1.329 4 G CA -0.210 44.899 45.100 0.015 0.000 1.017 4 G HN 0.678 nan 8.290 nan 0.000 0.472 5 P HA 0.458 nan 4.420 nan 0.000 0.270 5 P C -0.576 176.752 177.300 0.047 0.000 1.223 5 P CA -0.061 63.068 63.100 0.048 0.000 0.785 5 P CB 0.961 32.743 31.700 0.137 0.000 0.923 6 R N 1.128 121.645 120.500 0.029 0.000 2.439 6 R HA 0.511 4.850 4.340 -0.001 0.000 0.310 6 R C -1.468 174.866 176.300 0.056 0.000 0.955 6 R CA -0.682 55.435 56.100 0.028 0.000 0.853 6 R CB 1.004 31.308 30.300 0.006 0.000 1.171 6 R HN 0.218 nan 8.270 nan 0.000 0.449 7 V N 6.716 126.667 119.914 0.062 0.000 2.417 7 V HA 0.409 4.528 4.120 -0.001 0.000 0.291 7 V C 0.098 176.198 176.094 0.009 0.000 1.024 7 V CA -0.720 61.620 62.300 0.068 0.000 0.861 7 V CB 1.640 33.487 31.823 0.040 0.000 0.985 7 V HN 0.727 nan 8.190 nan 0.000 0.436 8 I N 5.009 125.578 120.570 -0.002 0.000 2.325 8 I HA 0.312 4.482 4.170 -0.001 0.000 0.291 8 I C -0.263 175.820 176.117 -0.056 0.000 1.019 8 I CA -0.431 60.837 61.300 -0.054 0.000 1.302 8 I CB 1.581 39.535 38.000 -0.076 0.000 1.401 8 I HN 0.278 nan 8.210 nan 0.000 0.485 9 V N 7.712 127.583 119.914 -0.073 0.000 2.364 9 V HA 0.178 4.297 4.120 -0.001 0.000 0.272 9 V C 0.210 176.249 176.094 -0.091 0.000 1.036 9 V CA -0.687 61.571 62.300 -0.070 0.000 0.880 9 V CB 1.481 33.270 31.823 -0.056 0.000 0.991 9 V HN 0.377 nan 8.190 nan 0.000 0.460 10 V N 5.244 125.109 119.914 -0.081 0.000 2.387 10 V HA 0.702 4.822 4.120 -0.001 0.000 0.260 10 V C 0.799 176.842 176.094 -0.085 0.000 1.054 10 V CA 0.664 62.908 62.300 -0.094 0.000 0.967 10 V CB 0.107 31.885 31.823 -0.075 0.000 1.036 10 V HN 1.269 nan 8.190 nan 0.000 0.481 11 G N 4.220 112.950 108.800 -0.118 0.000 3.067 11 G HA2 0.278 4.237 3.960 -0.001 0.000 0.686 11 G HA3 0.278 4.237 3.960 -0.001 0.000 0.686 11 G C -0.135 174.709 174.900 -0.094 0.000 1.119 11 G CA -0.295 44.733 45.100 -0.119 0.000 0.790 11 G HN 1.405 nan 8.290 nan 0.000 0.605 12 A N 1.568 124.320 122.820 -0.114 0.000 2.713 12 A HA 0.767 5.086 4.320 -0.001 0.000 0.296 12 A C 1.506 179.041 177.584 -0.082 0.000 1.255 12 A CA 1.185 53.161 52.037 -0.102 0.000 0.955 12 A CB -0.250 18.666 19.000 -0.140 0.000 1.149 12 A HN 2.223 nan 8.150 nan 0.000 0.538 13 G N -1.108 107.672 108.800 -0.033 0.000 2.583 13 G HA2 0.269 4.229 3.960 -0.001 0.000 0.275 13 G HA3 0.269 4.229 3.960 -0.001 0.000 0.275 13 G C 0.918 175.829 174.900 0.017 0.000 1.342 13 G CA 0.310 45.421 45.100 0.019 0.000 1.030 13 G HN 0.393 nan 8.290 nan 0.000 0.520 14 M N 0.398 120.023 119.600 0.041 0.000 2.086 14 M HA -0.127 4.352 4.480 -0.001 0.000 0.261 14 M C 2.640 178.979 176.300 0.065 0.000 1.067 14 M CA 2.781 58.118 55.300 0.062 0.000 1.116 14 M CB -0.623 32.017 32.600 0.067 0.000 1.348 14 M HN 0.569 nan 8.290 nan 0.000 0.407 15 S N -0.606 115.118 115.700 0.039 0.000 2.383 15 S HA 0.035 4.505 4.470 -0.001 0.000 0.227 15 S C 2.211 176.797 174.600 -0.023 0.000 1.026 15 S CA 0.937 59.136 58.200 -0.002 0.000 0.981 15 S CB -1.822 61.366 63.200 -0.020 0.000 0.818 15 S HN 0.614 nan 8.310 nan 0.000 0.472 16 G N 2.666 111.461 108.800 -0.009 0.000 2.491 16 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.218 16 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.218 16 G C 1.418 176.317 174.900 -0.002 0.000 1.180 16 G CA 1.169 46.257 45.100 -0.019 0.000 0.774 16 G HN 0.468 nan 8.290 nan 0.000 0.562 17 I N 1.108 121.693 120.570 0.026 0.000 2.179 17 I HA -0.138 4.032 4.170 -0.001 0.000 0.242 17 I C 2.968 179.125 176.117 0.067 0.000 1.088 17 I CA 1.674 63.033 61.300 0.098 0.000 1.357 17 I CB -1.186 36.865 38.000 0.085 0.000 1.051 17 I HN 0.275 nan 8.210 nan 0.000 0.409 18 S N 0.528 116.236 115.700 0.014 0.000 2.370 18 S HA -0.157 4.312 4.470 -0.001 0.000 0.226 18 S C 2.224 176.715 174.600 -0.181 0.000 1.033 18 S CA 1.520 59.670 58.200 -0.084 0.000 1.011 18 S CB -0.150 62.956 63.200 -0.156 0.000 0.852 18 S HN 0.476 nan 8.310 nan 0.000 0.457 19 A N 1.486 124.219 122.820 -0.144 0.000 1.858 19 A HA 0.168 4.487 4.320 -0.001 0.000 0.216 19 A C 2.502 179.969 177.584 -0.194 0.000 1.190 19 A CA 1.947 53.885 52.037 -0.164 0.000 0.617 19 A CB -1.524 17.401 19.000 -0.126 0.000 0.827 19 A HN 0.796 nan 8.150 nan 0.000 0.443 20 A N -0.552 122.179 122.820 -0.147 0.000 1.972 20 A HA -0.165 4.155 4.320 -0.001 0.000 0.219 20 A C 2.084 179.356 177.584 -0.521 0.000 1.169 20 A CA 2.115 54.067 52.037 -0.142 0.000 0.635 20 A CB -0.430 18.639 19.000 0.116 0.000 0.810 20 A HN 0.586 nan 8.150 nan 0.000 0.446 21 K N -0.585 119.297 120.400 -0.862 0.000 2.002 21 K HA -0.193 4.127 4.320 -0.001 0.000 0.209 21 K C 2.298 178.558 176.600 -0.567 0.000 1.048 21 K CA 1.680 57.239 56.287 -1.212 0.000 0.930 21 K CB -0.168 31.883 32.500 -0.749 0.000 0.714 21 K HN 0.279 nan 8.250 nan 0.000 0.438 22 R N 0.874 121.158 120.500 -0.360 0.000 2.120 22 R HA -0.034 4.305 4.340 -0.001 0.000 0.234 22 R C 2.008 178.180 176.300 -0.213 0.000 1.123 22 R CA 1.276 57.232 56.100 -0.240 0.000 0.975 22 R CB -0.464 29.713 30.300 -0.205 0.000 0.866 22 R HN 0.283 nan 8.270 nan 0.000 0.446 23 L N -0.455 120.630 121.223 -0.230 0.000 2.027 23 L HA -0.138 4.202 4.340 -0.001 0.000 0.206 23 L C 2.465 179.247 176.870 -0.146 0.000 1.074 23 L CA 1.717 56.452 54.840 -0.176 0.000 0.745 23 L CB -0.635 41.329 42.059 -0.157 0.000 0.898 23 L HN 0.363 nan 8.230 nan 0.000 0.433 24 S N -0.072 115.517 115.700 -0.185 0.000 2.370 24 S HA -0.249 4.221 4.470 -0.001 0.000 0.226 24 S C 1.783 176.326 174.600 -0.094 0.000 1.033 24 S CA 1.707 59.842 58.200 -0.109 0.000 1.011 24 S CB -0.179 62.965 63.200 -0.094 0.000 0.852 24 S HN 0.430 nan 8.310 nan 0.000 0.457 25 E N 0.554 120.672 120.200 -0.137 0.000 2.204 25 E HA -0.006 4.344 4.350 -0.001 0.000 0.195 25 E C 2.161 178.719 176.600 -0.071 0.000 0.990 25 E CA 0.947 57.291 56.400 -0.094 0.000 0.821 25 E CB -0.272 29.363 29.700 -0.109 0.000 0.750 25 E HN 0.692 nan 8.360 nan 0.000 0.477 26 A N -0.314 122.456 122.820 -0.083 0.000 2.167 26 A HA 0.198 4.517 4.320 -0.001 0.000 0.214 26 A C 1.821 179.375 177.584 -0.049 0.000 1.151 26 A CA 1.121 53.118 52.037 -0.068 0.000 0.735 26 A CB -0.068 18.881 19.000 -0.085 0.000 0.802 26 A HN 0.372 nan 8.150 nan 0.000 0.467 27 G N -0.996 107.777 108.800 -0.045 0.000 2.278 27 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.210 27 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.210 27 G C 0.246 175.133 174.900 -0.023 0.000 1.000 27 G CA -0.088 44.995 45.100 -0.027 0.000 0.635 27 G HN 0.437 nan 8.290 nan 0.000 0.495 28 I N 3.618 124.166 120.570 -0.036 0.000 2.455 28 I HA 0.198 4.368 4.170 -0.001 0.000 0.303 28 I C 1.754 177.860 176.117 -0.018 0.000 1.180 28 I CA 1.052 62.337 61.300 -0.026 0.000 1.469 28 I CB 0.254 38.228 38.000 -0.043 0.000 1.480 28 I HN 0.311 nan 8.210 nan 0.000 0.669 29 T N -1.128 113.427 114.554 0.001 0.000 3.023 29 T HA 0.041 4.391 4.350 -0.001 0.000 0.253 29 T C 0.799 175.512 174.700 0.022 0.000 1.038 29 T CA -0.263 61.848 62.100 0.018 0.000 0.962 29 T CB 0.075 68.955 68.868 0.020 0.000 1.018 29 T HN 0.325 nan 8.240 nan 0.000 0.521 30 D N 2.105 122.514 120.400 0.015 0.000 2.545 30 D HA 0.257 4.897 4.640 -0.001 0.000 0.227 30 D C -0.635 175.672 176.300 0.012 0.000 1.150 30 D CA -0.032 53.977 54.000 0.015 0.000 1.046 30 D CB -0.434 40.376 40.800 0.016 0.000 1.098 30 D HN 0.471 nan 8.370 nan 0.000 0.502 31 L N 2.542 123.772 121.223 0.012 0.000 2.329 31 L HA 0.429 4.769 4.340 -0.001 0.000 0.279 31 L C -0.417 176.441 176.870 -0.020 0.000 1.014 31 L CA -1.111 53.731 54.840 0.004 0.000 0.814 31 L CB 2.175 44.254 42.059 0.033 0.000 1.257 31 L HN 0.033 nan 8.230 nan 0.000 0.424 32 L N 4.939 126.131 121.223 -0.051 0.000 2.342 32 L HA 0.546 4.886 4.340 -0.001 0.000 0.276 32 L C -0.694 176.101 176.870 -0.126 0.000 0.997 32 L CA -0.111 54.667 54.840 -0.104 0.000 0.838 32 L CB 1.142 43.108 42.059 -0.155 0.000 1.224 32 L HN 0.383 nan 8.230 nan 0.000 0.416 33 I N 6.167 126.668 120.570 -0.114 0.000 2.291 33 I HA 0.254 4.423 4.170 -0.001 0.000 0.292 33 I C -0.396 175.622 176.117 -0.165 0.000 1.064 33 I CA -0.271 60.958 61.300 -0.120 0.000 1.269 33 I CB 0.503 38.451 38.000 -0.086 0.000 1.418 33 I HN 0.409 nan 8.210 nan 0.000 0.485 34 L N 6.210 127.316 121.223 -0.196 0.000 2.268 34 L HA 0.356 4.696 4.340 -0.001 0.000 0.289 34 L C 0.141 176.892 176.870 -0.198 0.000 1.064 34 L CA -0.332 54.377 54.840 -0.217 0.000 0.824 34 L CB 0.590 42.492 42.059 -0.262 0.000 1.202 34 L HN 0.542 nan 8.230 nan 0.000 0.433 35 E N 2.638 122.720 120.200 -0.196 0.000 2.134 35 E HA 0.410 4.759 4.350 -0.001 0.000 0.278 35 E C 0.529 176.950 176.600 -0.298 0.000 0.959 35 E CA -0.270 55.991 56.400 -0.232 0.000 0.783 35 E CB 1.918 31.498 29.700 -0.201 0.000 1.095 35 E HN 0.556 nan 8.360 nan 0.000 0.399 36 A N 3.706 126.255 122.820 -0.452 0.000 1.908 36 A HA -0.085 4.235 4.320 -0.001 0.000 0.218 36 A C 1.444 178.661 177.584 -0.611 0.000 1.181 36 A CA 1.980 53.580 52.037 -0.729 0.000 0.627 36 A CB -1.059 17.081 19.000 -1.433 0.000 0.818 36 A HN 0.728 nan 8.150 nan 0.000 0.445 37 T N -2.014 112.268 114.554 -0.452 0.000 2.833 37 T HA 0.326 4.675 4.350 -0.001 0.000 0.292 37 T C 0.439 175.097 174.700 -0.070 0.000 1.031 37 T CA 0.259 62.273 62.100 -0.143 0.000 0.937 37 T CB 0.681 69.505 68.868 -0.073 0.000 1.256 37 T HN 0.351 nan 8.240 nan 0.000 0.551 38 D N -0.214 120.261 120.400 0.124 0.000 2.358 38 D HA 0.066 4.706 4.640 -0.001 0.000 0.224 38 D C 0.379 176.824 176.300 0.241 0.000 1.123 38 D CA -0.290 53.805 54.000 0.158 0.000 0.833 38 D CB -0.593 40.313 40.800 0.177 0.000 0.946 38 D HN 0.836 nan 8.370 nan 0.000 0.505 39 H N -1.069 118.011 119.070 0.016 0.000 3.064 39 H HA 0.344 4.900 4.556 -0.001 0.000 0.352 39 H C -0.121 175.190 175.328 -0.028 0.000 1.260 39 H CA -1.139 54.933 56.048 0.041 0.000 1.160 39 H CB 0.486 30.313 29.762 0.109 0.000 1.879 39 H HN -0.003 nan 8.280 nan 0.000 0.544 40 I N -1.374 119.136 120.570 -0.100 0.000 3.021 40 I HA 0.599 4.769 4.170 -0.001 0.000 0.303 40 I C 1.165 177.184 176.117 -0.164 0.000 1.044 40 I CA 0.481 61.640 61.300 -0.235 0.000 1.266 40 I CB 0.874 38.665 38.000 -0.348 0.000 1.447 40 I HN 0.954 nan 8.210 nan 0.000 0.593 41 G N 0.930 109.656 108.800 -0.125 0.000 2.284 41 G HA2 0.004 3.963 3.960 -0.001 0.000 0.216 41 G HA3 0.004 3.963 3.960 -0.001 0.000 0.216 41 G C 1.017 175.970 174.900 0.089 0.000 1.009 41 G CA 0.207 45.312 45.100 0.007 0.000 0.625 41 G HN 2.101 nan 8.290 nan 0.000 0.501 42 G N 0.494 109.346 108.800 0.085 0.000 2.602 42 G HA2 -0.383 3.576 3.960 -0.001 0.000 0.310 42 G HA3 -0.383 3.576 3.960 -0.001 0.000 0.310 42 G C 0.837 175.904 174.900 0.278 0.000 1.183 42 G CA 1.307 46.563 45.100 0.260 0.000 0.979 42 G HN 1.213 nan 8.290 nan 0.000 0.545 43 R N 0.325 120.930 120.500 0.175 0.000 2.320 43 R HA 0.338 4.678 4.340 -0.001 0.000 0.211 43 R C 0.664 176.996 176.300 0.054 0.000 0.931 43 R CA 0.091 56.165 56.100 -0.043 0.000 1.071 43 R CB 0.013 30.165 30.300 -0.246 0.000 1.025 43 R HN 0.408 nan 8.270 nan 0.000 0.495 44 M N 0.701 120.384 119.600 0.138 0.000 2.289 44 M HA 0.164 4.644 4.480 -0.001 0.000 0.354 44 M C -0.942 175.578 176.300 0.367 0.000 1.210 44 M CA -0.273 55.120 55.300 0.155 0.000 1.174 44 M CB 0.905 33.486 32.600 -0.032 0.000 1.297 44 M HN -0.082 nan 8.290 nan 0.000 0.423 45 H N 3.072 122.314 119.070 0.287 0.000 2.934 45 H HA 0.416 4.972 4.556 -0.001 0.000 0.340 45 H C -1.175 174.290 175.328 0.228 0.000 1.008 45 H CA -1.007 55.217 56.048 0.293 0.000 1.317 45 H CB 1.276 31.255 29.762 0.362 0.000 1.670 45 H HN 0.581 nan 8.280 nan 0.000 0.516 46 K N 2.362 122.717 120.400 -0.074 0.000 2.109 46 K HA 0.710 5.029 4.320 -0.001 0.000 0.243 46 K C -0.715 175.672 176.600 -0.354 0.000 1.006 46 K CA -0.703 55.501 56.287 -0.138 0.000 0.917 46 K CB 1.791 34.264 32.500 -0.044 0.000 1.081 46 K HN 0.454 nan 8.250 nan 0.000 0.468 47 T N -0.272 114.150 114.554 -0.221 0.000 2.830 47 T HA 0.151 4.501 4.350 -0.001 0.000 0.322 47 T C -1.821 172.795 174.700 -0.140 0.000 1.501 47 T CA -0.901 61.076 62.100 -0.204 0.000 1.036 47 T CB 1.193 69.951 68.868 -0.183 0.000 1.379 47 T HN 0.705 nan 8.240 nan 0.000 0.493 48 N N 2.661 121.301 118.700 -0.100 0.000 2.411 48 N HA 0.335 5.075 4.740 -0.001 0.000 0.259 48 N C -1.490 174.008 175.510 -0.019 0.000 1.103 48 N CA -0.005 52.999 53.050 -0.077 0.000 0.954 48 N CB 0.231 38.675 38.487 -0.073 0.000 1.085 48 N HN 0.469 nan 8.380 nan 0.000 0.485 49 F N 3.754 123.563 119.950 -0.236 0.000 2.493 49 F HA 0.563 5.089 4.527 -0.000 0.000 0.329 49 F C 0.638 176.323 175.800 -0.192 0.000 1.126 49 F CA 0.290 58.151 58.000 -0.230 0.000 0.937 49 F CB 0.945 39.729 39.000 -0.360 0.000 1.146 49 F HN 0.754 nan 8.300 nan 0.000 0.442 50 A N 4.065 126.396 122.820 -0.814 0.000 5.369 50 A HA -0.193 4.126 4.320 -0.001 0.000 0.298 50 A C 1.428 178.850 177.584 -0.269 0.000 2.000 50 A CA 1.131 52.847 52.037 -0.535 0.000 0.716 50 A CB -2.004 16.725 19.000 -0.453 0.000 1.248 50 A HN 1.811 nan 8.150 nan 0.000 0.365 51 G N -0.272 108.417 108.800 -0.184 0.000 3.277 51 G HA2 0.531 4.490 3.960 -0.001 0.000 0.243 51 G HA3 0.531 4.490 3.960 -0.001 0.000 0.243 51 G C 0.495 175.337 174.900 -0.096 0.000 1.107 51 G CA 0.788 45.820 45.100 -0.114 0.000 0.771 51 G HN 1.460 nan 8.290 nan 0.000 0.544 52 I N -3.194 117.296 120.570 -0.134 0.000 2.947 52 I HA 0.554 4.723 4.170 -0.001 0.000 0.314 52 I C -0.997 175.029 176.117 -0.152 0.000 1.028 52 I CA -1.484 59.736 61.300 -0.134 0.000 1.077 52 I CB 1.532 39.401 38.000 -0.220 0.000 1.274 52 I HN -0.346 nan 8.210 nan 0.000 0.485 53 N N 2.722 121.351 118.700 -0.118 0.000 2.419 53 N HA 0.472 5.211 4.740 -0.001 0.000 0.264 53 N C -0.516 174.885 175.510 -0.182 0.000 1.031 53 N CA -0.268 52.711 53.050 -0.120 0.000 0.951 53 N CB 1.785 40.241 38.487 -0.052 0.000 1.101 53 N HN 0.613 nan 8.380 nan 0.000 0.488 54 V N -0.510 119.238 119.914 -0.276 0.000 3.103 54 V HA 0.610 4.730 4.120 -0.001 0.000 0.318 54 V C -0.053 175.944 176.094 -0.162 0.000 1.114 54 V CA -0.865 61.227 62.300 -0.346 0.000 1.020 54 V CB 2.277 33.545 31.823 -0.925 0.000 1.085 54 V HN 0.320 nan 8.190 nan 0.000 0.446 55 E N 1.389 121.590 120.200 0.001 0.000 2.197 55 E HA 0.438 4.787 4.350 -0.001 0.000 0.281 55 E C 0.375 177.157 176.600 0.302 0.000 0.995 55 E CA -0.271 56.220 56.400 0.152 0.000 0.808 55 E CB 2.029 31.832 29.700 0.173 0.000 1.093 55 E HN 0.708 nan 8.360 nan 0.000 0.394 56 L N 1.306 122.725 121.223 0.327 0.000 2.249 56 L HA 0.094 4.434 4.340 -0.001 0.000 0.207 56 L C 1.530 178.852 176.870 0.753 0.000 1.090 56 L CA 0.953 56.110 54.840 0.527 0.000 0.802 56 L CB -0.132 42.174 42.059 0.411 0.000 0.947 56 L HN 0.500 nan 8.230 nan 0.000 0.453 57 G N -0.566 108.596 108.800 0.603 0.000 3.022 57 G HA2 0.534 4.494 3.960 -0.001 0.000 0.157 57 G HA3 0.534 4.494 3.960 -0.001 0.000 0.157 57 G C -0.256 174.794 174.900 0.249 0.000 1.468 57 G CA 0.067 45.326 45.100 0.266 0.000 1.058 57 G HN 0.206 nan 8.290 nan 0.000 0.581 58 A N -0.758 122.169 122.820 0.179 0.000 2.540 58 A HA 0.294 4.613 4.320 -0.001 0.000 0.239 58 A C 0.675 178.519 177.584 0.433 0.000 1.061 58 A CA 0.756 52.962 52.037 0.281 0.000 0.758 58 A CB -0.036 19.083 19.000 0.197 0.000 0.991 58 A HN 0.720 nan 8.150 nan 0.000 0.502 59 N N 0.176 119.086 118.700 0.350 0.000 2.168 59 N HA 0.127 4.866 4.740 -0.001 0.000 0.216 59 N C -0.595 174.673 175.510 -0.403 0.000 1.259 59 N CA -0.270 52.706 53.050 -0.123 0.000 0.902 59 N CB 0.330 38.615 38.487 -0.336 0.000 1.079 59 N HN 0.767 nan 8.380 nan 0.000 0.507 60 W N 1.460 122.800 121.300 0.066 0.000 2.706 60 W HA 0.504 5.163 4.660 -0.001 0.000 0.346 60 W C -0.838 175.780 176.519 0.164 0.000 1.071 60 W CA -0.515 56.884 57.345 0.089 0.000 1.206 60 W CB 1.505 31.086 29.460 0.201 0.000 1.413 60 W HN -0.422 nan 8.180 nan 0.000 0.542 61 V N 2.449 122.601 119.914 0.397 0.000 2.304 61 V HA 0.151 4.271 4.120 -0.001 0.000 0.269 61 V C -0.072 176.213 176.094 0.317 0.000 1.036 61 V CA -0.519 62.005 62.300 0.372 0.000 0.840 61 V CB 0.672 32.697 31.823 0.336 0.000 1.036 61 V HN 0.365 nan 8.190 nan 0.000 0.466 62 E N 3.370 123.738 120.200 0.279 0.000 2.174 62 E HA 0.591 4.940 4.350 -0.001 0.000 0.282 62 E C 0.557 177.095 176.600 -0.104 0.000 0.992 62 E CA -0.147 56.332 56.400 0.131 0.000 0.803 62 E CB 1.676 31.415 29.700 0.065 0.000 1.090 62 E HN 0.977 nan 8.360 nan 0.000 0.396 63 G N 1.673 110.465 108.800 -0.013 0.000 2.894 63 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.263 63 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.263 63 G C -0.643 174.212 174.900 -0.075 0.000 1.013 63 G CA -0.560 44.517 45.100 -0.038 0.000 1.226 63 G HN 0.355 nan 8.290 nan 0.000 0.563 64 V N 2.550 122.429 119.914 -0.059 0.000 3.078 64 V HA 0.755 4.875 4.120 -0.001 0.000 0.311 64 V C 0.772 176.818 176.094 -0.080 0.000 1.138 64 V CA -0.339 61.803 62.300 -0.264 0.000 1.007 64 V CB 2.021 33.461 31.823 -0.638 0.000 1.045 64 V HN 0.911 nan 8.190 nan 0.000 0.432 65 N N 0.721 119.366 118.700 -0.092 0.000 2.882 65 N HA -0.131 4.609 4.740 -0.001 0.000 0.249 65 N C 0.134 175.669 175.510 0.042 0.000 1.079 65 N CA 1.170 54.225 53.050 0.008 0.000 0.800 65 N CB -0.919 37.601 38.487 0.054 0.000 1.124 65 N HN 1.058 nan 8.380 nan 0.000 0.557 66 G N -1.093 107.740 108.800 0.054 0.000 2.971 66 G HA2 0.594 4.554 3.960 -0.001 0.000 0.235 66 G HA3 0.594 4.554 3.960 -0.001 0.000 0.235 66 G C 1.079 176.022 174.900 0.071 0.000 1.351 66 G CA 0.110 45.250 45.100 0.067 0.000 1.039 66 G HN 0.099 nan 8.290 nan 0.000 0.563 67 G N -1.066 107.772 108.800 0.062 0.000 2.432 67 G HA2 0.043 4.003 3.960 -0.001 0.000 0.219 67 G HA3 0.043 4.003 3.960 -0.001 0.000 0.219 67 G C 0.720 175.670 174.900 0.084 0.000 1.135 67 G CA 0.727 45.860 45.100 0.056 0.000 0.767 67 G HN 0.445 nan 8.290 nan 0.000 0.550 68 K N -0.806 119.679 120.400 0.143 0.000 2.375 68 K HA 0.474 4.793 4.320 -0.001 0.000 0.249 68 K C -1.113 175.644 176.600 0.262 0.000 0.942 68 K CA -1.087 55.328 56.287 0.213 0.000 0.806 68 K CB 2.224 34.886 32.500 0.271 0.000 1.227 68 K HN 0.009 nan 8.250 nan 0.000 0.430 69 M N 3.296 122.971 119.600 0.125 0.000 2.194 69 M HA 0.091 4.570 4.480 -0.001 0.000 0.347 69 M C -0.343 175.747 176.300 -0.350 0.000 1.439 69 M CA -0.299 54.985 55.300 -0.026 0.000 1.131 69 M CB -0.143 32.454 32.600 -0.005 0.000 1.733 69 M HN 0.384 nan 8.290 nan 0.000 0.467 70 N N 7.497 125.787 118.700 -0.684 0.000 2.452 70 N HA 0.101 4.840 4.740 -0.001 0.000 0.266 70 N C -1.994 173.168 175.510 -0.580 0.000 1.209 70 N CA -1.421 50.845 53.050 -1.307 0.000 0.929 70 N CB 0.934 38.790 38.487 -1.050 0.000 1.063 70 N HN 0.452 nan 8.380 nan 0.000 0.472 71 P HA -0.117 nan 4.420 nan 0.000 0.220 71 P C 1.494 178.611 177.300 -0.306 0.000 1.148 71 P CA 0.625 63.557 63.100 -0.280 0.000 0.803 71 P CB 0.399 32.017 31.700 -0.137 0.000 0.782 72 I N -1.231 119.177 120.570 -0.270 0.000 2.315 72 I HA -0.179 3.991 4.170 -0.001 0.000 0.248 72 I C 2.553 178.664 176.117 -0.010 0.000 1.117 72 I CA 0.780 61.997 61.300 -0.137 0.000 1.404 72 I CB -1.755 36.267 38.000 0.036 0.000 1.071 72 I HN 0.121 nan 8.210 nan 0.000 0.419 73 W N 2.992 124.156 121.300 -0.228 0.000 2.333 73 W HA -0.187 4.472 4.660 -0.001 0.000 0.316 73 W C -0.501 175.904 176.519 -0.190 0.000 1.215 73 W CA 1.432 58.656 57.345 -0.203 0.000 1.278 73 W CB -1.333 27.989 29.460 -0.230 0.000 1.154 73 W HN 0.071 nan 8.180 nan 0.000 0.486 74 P HA -0.255 nan 4.420 nan 0.000 0.216 74 P C 1.580 178.662 177.300 -0.365 0.000 1.157 74 P CA 2.546 65.446 63.100 -0.333 0.000 0.880 74 P CB -0.420 31.175 31.700 -0.176 0.000 0.791 75 I N -1.593 118.804 120.570 -0.288 0.000 2.163 75 I HA -0.218 3.951 4.170 -0.001 0.000 0.243 75 I C 2.223 178.133 176.117 -0.344 0.000 1.085 75 I CA 1.421 62.536 61.300 -0.309 0.000 1.347 75 I CB -1.114 36.752 38.000 -0.224 0.000 1.044 75 I HN -0.154 nan 8.210 nan 0.000 0.408 76 V N 1.177 120.899 119.914 -0.321 0.000 2.229 76 V HA -0.272 3.847 4.120 -0.001 0.000 0.243 76 V C 2.257 178.021 176.094 -0.550 0.000 1.042 76 V CA 2.492 64.587 62.300 -0.341 0.000 1.000 76 V CB -0.867 30.819 31.823 -0.227 0.000 0.637 76 V HN 0.424 nan 8.190 nan 0.000 0.446 77 N N -0.609 117.526 118.700 -0.942 0.000 2.300 77 N HA -0.077 4.662 4.740 -0.001 0.000 0.179 77 N C 1.832 177.006 175.510 -0.559 0.000 1.016 77 N CA 1.583 54.063 53.050 -0.951 0.000 0.876 77 N CB 0.119 37.651 38.487 -1.591 0.000 0.979 77 N HN 0.429 nan 8.380 nan 0.000 0.432 78 S N -1.790 113.620 115.700 -0.483 0.000 2.655 78 S HA 0.094 4.563 4.470 -0.001 0.000 0.231 78 S C 1.755 176.195 174.600 -0.266 0.000 1.044 78 S CA 0.470 58.480 58.200 -0.318 0.000 0.910 78 S CB -0.445 62.593 63.200 -0.270 0.000 0.833 78 S HN 0.243 nan 8.310 nan 0.000 0.581 79 T N 3.328 117.704 114.554 -0.297 0.000 2.595 79 T HA 0.024 4.373 4.350 -0.001 0.000 0.264 79 T C 1.596 176.118 174.700 -0.296 0.000 1.058 79 T CA 1.329 63.247 62.100 -0.303 0.000 1.166 79 T CB -0.474 68.125 68.868 -0.449 0.000 0.863 79 T HN 0.175 nan 8.240 nan 0.000 0.415 80 L N -0.052 120.971 121.223 -0.333 0.000 2.567 80 L HA 0.251 4.591 4.340 -0.001 0.000 0.225 80 L C 0.467 177.221 176.870 -0.194 0.000 1.119 80 L CA 0.007 54.700 54.840 -0.244 0.000 0.871 80 L CB -0.310 41.611 42.059 -0.229 0.000 1.036 80 L HN 0.205 nan 8.230 nan 0.000 0.459 81 K N 1.840 122.099 120.400 -0.234 0.000 4.040 81 K HA -0.177 4.143 4.320 -0.001 0.000 0.279 81 K C -0.591 175.899 176.600 -0.184 0.000 0.890 81 K CA 0.309 56.465 56.287 -0.219 0.000 0.782 81 K CB -1.362 31.038 32.500 -0.166 0.000 1.613 81 K HN 0.270 nan 8.250 nan 0.000 0.440 82 L N 1.258 122.358 121.223 -0.204 0.000 2.326 82 L HA 0.250 4.589 4.340 -0.001 0.000 0.278 82 L C 1.090 177.857 176.870 -0.171 0.000 1.092 82 L CA -0.547 54.202 54.840 -0.151 0.000 0.810 82 L CB 0.929 42.914 42.059 -0.124 0.000 1.153 82 L HN 0.295 nan 8.230 nan 0.000 0.439 83 R N 3.204 123.619 120.500 -0.143 0.000 2.538 83 R HA 0.083 4.422 4.340 -0.001 0.000 0.282 83 R C -0.678 175.463 176.300 -0.265 0.000 1.009 83 R CA 0.297 56.275 56.100 -0.203 0.000 1.063 83 R CB 0.154 30.380 30.300 -0.123 0.000 0.945 83 R HN 0.902 nan 8.270 nan 0.000 0.414 84 N N 2.041 120.459 118.700 -0.471 0.000 2.961 84 N HA 0.351 5.091 4.740 -0.001 0.000 0.245 84 N C -1.778 173.399 175.510 -0.556 0.000 1.404 84 N CA -0.836 52.022 53.050 -0.321 0.000 0.880 84 N CB 0.988 39.503 38.487 0.047 0.000 1.461 84 N HN 0.287 nan 8.380 nan 0.000 0.510 85 F N -0.619 119.539 119.950 0.346 0.000 2.573 85 F HA 0.479 5.006 4.527 -0.001 0.000 0.316 85 F C 0.448 176.343 175.800 0.158 0.000 1.148 85 F CA -0.921 57.236 58.000 0.261 0.000 0.940 85 F CB 2.178 41.262 39.000 0.141 0.000 1.214 85 F HN 0.365 nan 8.300 nan 0.000 0.448 86 R N 1.741 122.281 120.500 0.067 0.000 2.538 86 R HA 0.195 4.535 4.340 -0.001 0.000 0.282 86 R C -0.340 175.946 176.300 -0.023 0.000 1.009 86 R CA 0.214 56.020 56.100 -0.489 0.000 1.063 86 R CB 0.539 30.572 30.300 -0.445 0.000 0.945 86 R HN 0.670 nan 8.270 nan 0.000 0.414 87 S N 2.680 118.423 115.700 0.071 0.000 2.545 87 S HA 0.042 4.512 4.470 -0.001 0.000 0.275 87 S C -0.507 174.097 174.600 0.007 0.000 1.299 87 S CA -0.406 57.909 58.200 0.191 0.000 1.048 87 S CB 1.136 64.556 63.200 0.365 0.000 0.938 87 S HN 0.482 nan 8.310 nan 0.000 0.496 88 D N 1.485 121.895 120.400 0.017 0.000 2.453 88 D HA 0.343 4.982 4.640 -0.001 0.000 0.238 88 D C -0.540 175.774 176.300 0.024 0.000 1.088 88 D CA -0.534 53.493 54.000 0.045 0.000 0.854 88 D CB 0.255 41.148 40.800 0.156 0.000 1.076 88 D HN 0.391 nan 8.370 nan 0.000 0.533 89 F N 0.972 121.019 119.950 0.161 0.000 2.727 89 F HA 0.122 4.648 4.527 -0.001 0.000 0.302 89 F C 1.712 177.515 175.800 0.005 0.000 1.097 89 F CA -0.374 57.668 58.000 0.071 0.000 1.330 89 F CB 0.485 39.466 39.000 -0.032 0.000 1.084 89 F HN 0.252 nan 8.300 nan 0.000 0.578 90 D N -0.347 120.101 120.400 0.080 0.000 2.265 90 D HA -0.207 4.433 4.640 -0.001 0.000 0.208 90 D C 1.142 177.230 176.300 -0.352 0.000 0.977 90 D CA 1.561 55.436 54.000 -0.207 0.000 0.871 90 D CB -0.182 40.358 40.800 -0.432 0.000 0.925 90 D HN 0.375 nan 8.370 nan 0.000 0.485 91 Y N -0.326 120.025 120.300 0.085 0.000 2.485 91 Y HA 0.260 4.809 4.550 -0.001 0.000 0.260 91 Y C 1.959 177.899 175.900 0.067 0.000 1.173 91 Y CA -0.297 57.844 58.100 0.068 0.000 1.252 91 Y CB 0.109 38.611 38.460 0.070 0.000 1.123 91 Y HN -0.128 nan 8.280 nan 0.000 0.524 92 L N -0.354 120.951 121.223 0.136 0.000 2.127 92 L HA -0.281 4.058 4.340 -0.001 0.000 0.211 92 L C 2.568 179.475 176.870 0.061 0.000 1.089 92 L CA 1.196 56.087 54.840 0.085 0.000 0.757 92 L CB -0.407 41.587 42.059 -0.109 0.000 0.899 92 L HN 0.373 nan 8.230 nan 0.000 0.434 93 A N -0.628 122.209 122.820 0.028 0.000 1.940 93 A HA -0.290 4.029 4.320 -0.001 0.000 0.219 93 A C 2.135 179.756 177.584 0.061 0.000 1.176 93 A CA 1.673 53.719 52.037 0.015 0.000 0.631 93 A CB -0.461 18.535 19.000 -0.006 0.000 0.814 93 A HN 0.481 nan 8.150 nan 0.000 0.446 94 Q N -0.671 119.190 119.800 0.101 0.000 2.500 94 Q HA 0.000 4.340 4.340 -0.001 0.000 0.213 94 Q C 0.166 176.210 176.000 0.073 0.000 0.974 94 Q CA 0.744 56.604 55.803 0.095 0.000 0.918 94 Q CB 0.081 28.901 28.738 0.136 0.000 0.980 94 Q HN 0.630 nan 8.270 nan 0.000 0.505 95 N N -0.500 118.274 118.700 0.123 0.000 2.466 95 N HA 0.128 4.867 4.740 -0.001 0.000 0.272 95 N C -1.422 174.280 175.510 0.320 0.000 1.455 95 N CA 0.093 53.271 53.050 0.213 0.000 0.875 95 N CB 1.825 40.513 38.487 0.336 0.000 1.372 95 N HN -0.113 nan 8.380 nan 0.000 0.492 96 V N 2.055 122.079 119.914 0.183 0.000 2.347 96 V HA 0.324 4.443 4.120 -0.001 0.000 0.280 96 V C -0.636 175.639 176.094 0.302 0.000 1.021 96 V CA -0.528 61.949 62.300 0.294 0.000 0.847 96 V CB 0.449 32.370 31.823 0.163 0.000 0.990 96 V HN 0.103 nan 8.190 nan 0.000 0.444 97 Y N 3.536 124.008 120.300 0.287 0.000 2.327 97 Y HA 0.362 4.911 4.550 -0.001 0.000 0.336 97 Y C 0.958 176.973 175.900 0.191 0.000 1.035 97 Y CA -0.910 57.307 58.100 0.194 0.000 1.165 97 Y CB 0.754 39.305 38.460 0.152 0.000 1.181 97 Y HN 0.512 nan 8.280 nan 0.000 0.494 98 K N 2.447 122.842 120.400 -0.008 0.000 2.524 98 K HA -0.106 4.214 4.320 -0.001 0.000 0.279 98 K C 1.174 177.787 176.600 0.021 0.000 0.993 98 K CA 0.098 56.274 56.287 -0.186 0.000 1.030 98 K CB 0.586 32.795 32.500 -0.485 0.000 0.891 98 K HN 0.793 nan 8.250 nan 0.000 0.488 99 E N 1.888 122.062 120.200 -0.044 0.000 2.114 99 E HA -0.230 4.120 4.350 -0.001 0.000 0.199 99 E C -0.310 176.384 176.600 0.156 0.000 1.008 99 E CA 1.306 57.683 56.400 -0.037 0.000 0.810 99 E CB 0.261 29.919 29.700 -0.071 0.000 0.739 99 E HN 0.478 nan 8.360 nan 0.000 0.456 100 D N -0.766 119.666 120.400 0.054 0.000 2.461 100 D HA 0.292 4.932 4.640 -0.001 0.000 0.240 100 D C -0.691 175.603 176.300 -0.011 0.000 1.094 100 D CA 0.248 54.272 54.000 0.040 0.000 0.868 100 D CB 1.335 42.146 40.800 0.019 0.000 1.062 100 D HN 0.287 nan 8.370 nan 0.000 0.530 101 G N 2.199 111.000 108.800 0.001 0.000 2.940 101 G HA2 0.324 4.284 3.960 -0.001 0.000 0.273 101 G HA3 0.324 4.284 3.960 -0.001 0.000 0.273 101 G C 0.466 175.320 174.900 -0.076 0.000 1.030 101 G CA -0.149 44.930 45.100 -0.036 0.000 1.066 101 G HN 0.947 nan 8.290 nan 0.000 0.466 102 G N -0.822 107.949 108.800 -0.049 0.000 2.828 102 G HA2 0.196 4.156 3.960 -0.001 0.000 0.463 102 G HA3 0.196 4.156 3.960 -0.001 0.000 0.463 102 G C 0.232 174.969 174.900 -0.273 0.000 1.394 102 G CA 0.004 45.031 45.100 -0.121 0.000 0.862 102 G HN 1.844 nan 8.290 nan 0.000 0.540 103 V N 0.870 120.552 119.914 -0.387 0.000 2.834 103 V HA 0.454 4.574 4.120 -0.001 0.000 0.301 103 V C 0.803 176.761 176.094 -0.227 0.000 1.066 103 V CA -0.326 61.722 62.300 -0.419 0.000 1.052 103 V CB 1.037 32.605 31.823 -0.426 0.000 1.021 103 V HN 0.591 nan 8.190 nan 0.000 0.480 104 Y N 1.011 121.254 120.300 -0.095 0.000 2.296 104 Y HA 0.061 4.610 4.550 -0.001 0.000 0.343 104 Y C 1.112 177.020 175.900 0.015 0.000 1.292 104 Y CA 0.106 58.213 58.100 0.011 0.000 1.490 104 Y CB 0.214 38.745 38.460 0.119 0.000 1.359 104 Y HN 0.622 nan 8.280 nan 0.000 0.599 105 D N 1.670 122.224 120.400 0.256 0.000 2.401 105 D HA -0.074 4.565 4.640 -0.001 0.000 0.254 105 D C 0.912 177.327 176.300 0.191 0.000 1.192 105 D CA 0.109 54.212 54.000 0.171 0.000 0.885 105 D CB 0.776 41.663 40.800 0.144 0.000 1.147 105 D HN 0.836 nan 8.370 nan 0.000 0.478 106 E N 3.330 123.596 120.200 0.111 0.000 2.070 106 E HA -0.287 4.062 4.350 -0.001 0.000 0.197 106 E C 1.081 177.726 176.600 0.074 0.000 1.004 106 E CA 1.504 57.953 56.400 0.082 0.000 0.805 106 E CB 0.074 29.811 29.700 0.062 0.000 0.744 106 E HN 0.467 nan 8.360 nan 0.000 0.451 107 D N -0.969 119.483 120.400 0.087 0.000 2.178 107 D HA -0.173 4.466 4.640 -0.001 0.000 0.201 107 D C 1.621 177.982 176.300 0.101 0.000 0.980 107 D CA 0.837 54.881 54.000 0.074 0.000 0.842 107 D CB -0.249 40.593 40.800 0.070 0.000 0.948 107 D HN 0.344 nan 8.370 nan 0.000 0.472 108 Y N 1.101 121.409 120.300 0.013 0.000 2.092 108 Y HA -0.206 4.343 4.550 -0.001 0.000 0.282 108 Y C 2.239 178.123 175.900 -0.026 0.000 1.126 108 Y CA 1.434 59.537 58.100 0.005 0.000 1.111 108 Y CB -0.770 37.712 38.460 0.036 0.000 0.987 108 Y HN -0.150 nan 8.280 nan 0.000 0.489 109 V N 0.759 120.509 119.914 -0.272 0.000 2.252 109 V HA -0.367 3.753 4.120 -0.001 0.000 0.249 109 V C 2.410 178.359 176.094 -0.241 0.000 1.056 109 V CA 2.331 64.416 62.300 -0.358 0.000 1.022 109 V CB -1.192 30.537 31.823 -0.155 0.000 0.641 109 V HN 0.376 nan 8.190 nan 0.000 0.445 110 Q N 0.411 120.139 119.800 -0.121 0.000 2.173 110 Q HA -0.232 4.108 4.340 -0.001 0.000 0.208 110 Q C 2.134 178.072 176.000 -0.103 0.000 0.989 110 Q CA 1.907 57.657 55.803 -0.088 0.000 0.872 110 Q CB -0.414 28.299 28.738 -0.042 0.000 0.909 110 Q HN 0.651 nan 8.270 nan 0.000 0.420 111 K N -0.737 119.592 120.400 -0.119 0.000 1.984 111 K HA -0.097 4.223 4.320 -0.001 0.000 0.209 111 K C 2.024 178.542 176.600 -0.138 0.000 1.046 111 K CA 1.283 57.508 56.287 -0.102 0.000 0.934 111 K CB -0.094 32.366 32.500 -0.066 0.000 0.717 111 K HN 0.117 nan 8.250 nan 0.000 0.438 112 R N 0.941 121.298 120.500 -0.239 0.000 2.096 112 R HA -0.146 4.194 4.340 -0.001 0.000 0.240 112 R C 2.340 178.554 176.300 -0.144 0.000 1.139 112 R CA 1.382 57.350 56.100 -0.220 0.000 0.952 112 R CB -1.153 28.934 30.300 -0.355 0.000 0.854 112 R HN 0.281 nan 8.270 nan 0.000 0.436 113 I N 1.410 121.892 120.570 -0.147 0.000 2.068 113 I HA -0.323 3.846 4.170 -0.001 0.000 0.238 113 I C 2.442 178.515 176.117 -0.072 0.000 1.046 113 I CA 1.734 62.975 61.300 -0.097 0.000 1.306 113 I CB -0.411 37.529 38.000 -0.100 0.000 1.023 113 I HN 0.235 nan 8.210 nan 0.000 0.399 114 E N 0.376 120.532 120.200 -0.073 0.000 2.130 114 E HA -0.262 4.088 4.350 -0.001 0.000 0.196 114 E C 2.259 178.831 176.600 -0.047 0.000 0.998 114 E CA 1.226 57.593 56.400 -0.055 0.000 0.806 114 E CB -0.142 29.528 29.700 -0.050 0.000 0.738 114 E HN 0.459 nan 8.360 nan 0.000 0.459 115 L N 0.242 121.434 121.223 -0.051 0.000 2.027 115 L HA -0.150 4.189 4.340 -0.001 0.000 0.206 115 L C 2.388 179.242 176.870 -0.027 0.000 1.074 115 L CA 1.322 56.138 54.840 -0.040 0.000 0.745 115 L CB -0.434 41.597 42.059 -0.046 0.000 0.898 115 L HN 0.151 nan 8.230 nan 0.000 0.433 116 A N -0.028 122.778 122.820 -0.024 0.000 1.892 116 A HA -0.292 4.028 4.320 -0.001 0.000 0.218 116 A C 1.789 179.378 177.584 0.009 0.000 1.188 116 A CA 2.204 54.245 52.037 0.008 0.000 0.631 116 A CB -0.743 18.264 19.000 0.011 0.000 0.822 116 A HN 0.513 nan 8.150 nan 0.000 0.447 117 D N -0.131 120.256 120.400 -0.022 0.000 2.178 117 D HA -0.095 4.544 4.640 -0.001 0.000 0.201 117 D C 2.330 178.617 176.300 -0.022 0.000 0.980 117 D CA 1.709 55.688 54.000 -0.035 0.000 0.842 117 D CB -0.215 40.555 40.800 -0.050 0.000 0.948 117 D HN 0.599 nan 8.370 nan 0.000 0.472 118 S N -0.592 115.097 115.700 -0.019 0.000 2.470 118 S HA 0.011 4.481 4.470 -0.001 0.000 0.222 118 S C 2.201 176.792 174.600 -0.014 0.000 1.024 118 S CA -0.001 58.187 58.200 -0.020 0.000 0.931 118 S CB -0.180 63.004 63.200 -0.026 0.000 0.791 118 S HN 0.057 nan 8.310 nan 0.000 0.513 119 V N 2.542 122.453 119.914 -0.005 0.000 2.332 119 V HA -0.174 3.946 4.120 -0.001 0.000 0.248 119 V C 2.785 178.894 176.094 0.025 0.000 1.055 119 V CA 2.153 64.453 62.300 -0.000 0.000 1.038 119 V CB -0.703 31.125 31.823 0.007 0.000 0.651 119 V HN 0.544 nan 8.190 nan 0.000 0.450 120 E N -0.040 120.195 120.200 0.059 0.000 2.107 120 E HA -0.224 4.125 4.350 -0.001 0.000 0.191 120 E C 2.218 178.842 176.600 0.041 0.000 0.982 120 E CA 1.151 57.609 56.400 0.097 0.000 0.809 120 E CB 0.048 29.828 29.700 0.135 0.000 0.756 120 E HN 0.710 nan 8.360 nan 0.000 0.459 121 E N 0.116 120.320 120.200 0.008 0.000 2.077 121 E HA -0.197 4.152 4.350 -0.001 0.000 0.193 121 E C 2.069 178.664 176.600 -0.009 0.000 0.989 121 E CA 1.337 57.733 56.400 -0.008 0.000 0.800 121 E CB -0.038 29.651 29.700 -0.018 0.000 0.746 121 E HN 0.221 nan 8.360 nan 0.000 0.452 122 M N -0.377 119.216 119.600 -0.012 0.000 2.117 122 M HA -0.117 4.363 4.480 -0.001 0.000 0.262 122 M C 2.200 178.489 176.300 -0.018 0.000 1.065 122 M CA 1.748 57.036 55.300 -0.020 0.000 1.114 122 M CB -0.120 32.461 32.600 -0.032 0.000 1.361 122 M HN 0.220 nan 8.290 nan 0.000 0.408 123 G N -1.116 107.680 108.800 -0.008 0.000 2.421 123 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.217 123 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.217 123 G C 1.299 176.192 174.900 -0.012 0.000 1.143 123 G CA 0.532 45.625 45.100 -0.012 0.000 0.784 123 G HN 0.440 nan 8.290 nan 0.000 0.541 124 E N 0.254 120.454 120.200 0.000 0.000 2.038 124 E HA -0.120 4.230 4.350 -0.001 0.000 0.195 124 E C 2.476 179.065 176.600 -0.019 0.000 1.000 124 E CA 1.168 57.564 56.400 -0.007 0.000 0.803 124 E CB -0.036 29.662 29.700 -0.003 0.000 0.750 124 E HN 0.321 nan 8.360 nan 0.000 0.448 125 K N 0.146 120.534 120.400 -0.019 0.000 2.032 125 K HA -0.191 4.129 4.320 -0.001 0.000 0.209 125 K C 2.207 178.792 176.600 -0.025 0.000 1.048 125 K CA 1.151 57.426 56.287 -0.021 0.000 0.927 125 K CB -0.232 32.256 32.500 -0.019 0.000 0.712 125 K HN 0.069 nan 8.250 nan 0.000 0.441 126 L N 0.698 121.904 121.223 -0.029 0.000 2.083 126 L HA -0.165 4.175 4.340 -0.001 0.000 0.209 126 L C 2.237 179.080 176.870 -0.044 0.000 1.083 126 L CA 1.787 56.605 54.840 -0.036 0.000 0.752 126 L CB -0.779 41.256 42.059 -0.040 0.000 0.899 126 L HN 0.037 nan 8.230 nan 0.000 0.433 127 S N -0.682 114.991 115.700 -0.046 0.000 2.368 127 S HA -0.162 4.307 4.470 -0.001 0.000 0.225 127 S C 2.112 176.682 174.600 -0.050 0.000 1.030 127 S CA 1.182 59.346 58.200 -0.059 0.000 0.999 127 S CB -0.485 62.677 63.200 -0.063 0.000 0.844 127 S HN 0.694 nan 8.310 nan 0.000 0.459 128 A N 0.453 123.251 122.820 -0.037 0.000 2.067 128 A HA -0.032 4.288 4.320 -0.001 0.000 0.219 128 A C 2.314 179.889 177.584 -0.014 0.000 1.158 128 A CA 2.001 54.022 52.037 -0.028 0.000 0.661 128 A CB -1.172 17.813 19.000 -0.024 0.000 0.801 128 A HN 0.750 nan 8.150 nan 0.000 0.452 129 T N -1.846 112.698 114.554 -0.017 0.000 3.067 129 T HA 0.228 4.577 4.350 -0.001 0.000 0.261 129 T C 0.685 175.386 174.700 0.001 0.000 1.110 129 T CA -0.043 62.054 62.100 -0.005 0.000 1.113 129 T CB -0.637 68.220 68.868 -0.018 0.000 0.917 129 T HN 0.252 nan 8.240 nan 0.000 0.499 130 L N 1.937 123.145 121.223 -0.023 0.000 2.461 130 L HA 0.266 4.605 4.340 -0.001 0.000 0.272 130 L C 0.666 177.575 176.870 0.066 0.000 1.197 130 L CA -0.604 54.210 54.840 -0.043 0.000 0.836 130 L CB 0.062 42.084 42.059 -0.061 0.000 1.105 130 L HN 0.349 nan 8.230 nan 0.000 0.477 131 H N 1.034 120.091 119.070 -0.022 0.000 2.897 131 H HA 0.017 4.572 4.556 -0.001 0.000 0.347 131 H C 0.785 176.106 175.328 -0.012 0.000 1.068 131 H CA -0.116 55.923 56.048 -0.015 0.000 1.426 131 H CB 1.100 30.857 29.762 -0.009 0.000 1.410 131 H HN 0.840 nan 8.280 nan 0.000 0.597 132 A N 2.321 125.207 122.820 0.111 0.000 2.121 132 A HA -0.145 4.175 4.320 -0.001 0.000 0.218 132 A C 2.174 179.802 177.584 0.073 0.000 1.154 132 A CA 1.201 53.275 52.037 0.061 0.000 0.679 132 A CB -0.421 18.601 19.000 0.036 0.000 0.795 132 A HN 0.735 nan 8.150 nan 0.000 0.458 133 S N -0.933 114.818 115.700 0.084 0.000 2.607 133 S HA 0.287 4.757 4.470 -0.001 0.000 0.224 133 S C 1.395 176.055 174.600 0.099 0.000 0.969 133 S CA 0.753 59.006 58.200 0.088 0.000 0.927 133 S CB -0.940 62.299 63.200 0.064 0.000 0.772 133 S HN 1.760 nan 8.310 nan 0.000 0.533 134 G N 2.112 110.962 108.800 0.083 0.000 2.422 134 G HA2 -0.376 3.583 3.960 -0.001 0.000 0.301 134 G HA3 -0.376 3.583 3.960 -0.001 0.000 0.301 134 G C 0.683 175.615 174.900 0.053 0.000 0.981 134 G CA 0.680 45.812 45.100 0.053 0.000 0.994 134 G HN 0.611 nan 8.290 nan 0.000 0.514 135 R N 0.088 120.629 120.500 0.069 0.000 2.120 135 R HA -0.105 4.235 4.340 -0.001 0.000 0.234 135 R C 1.346 177.648 176.300 0.004 0.000 1.123 135 R CA 1.954 58.084 56.100 0.052 0.000 0.975 135 R CB -0.022 30.334 30.300 0.093 0.000 0.866 135 R HN 0.597 nan 8.270 nan 0.000 0.446 136 D N -1.195 119.184 120.400 -0.035 0.000 2.788 136 D HA 0.090 4.730 4.640 -0.001 0.000 0.289 136 D C -0.717 175.541 176.300 -0.070 0.000 1.340 136 D CA -0.591 53.364 54.000 -0.076 0.000 0.831 136 D CB 0.375 41.078 40.800 -0.161 0.000 1.103 136 D HN -0.013 nan 8.370 nan 0.000 0.476 137 D N 1.061 121.433 120.400 -0.046 0.000 2.360 137 D HA 0.427 5.066 4.640 -0.001 0.000 0.242 137 D C 0.163 176.429 176.300 -0.056 0.000 1.184 137 D CA -0.183 53.781 54.000 -0.059 0.000 0.930 137 D CB 0.697 41.465 40.800 -0.054 0.000 1.161 137 D HN 0.313 nan 8.370 nan 0.000 0.447 138 M N -0.986 118.570 119.600 -0.072 0.000 2.813 138 M HA 0.385 4.865 4.480 -0.001 0.000 0.270 138 M C -0.711 175.536 176.300 -0.087 0.000 1.267 138 M CA -1.085 54.175 55.300 -0.067 0.000 0.822 138 M CB 1.382 33.943 32.600 -0.065 0.000 1.671 138 M HN 0.279 nan 8.290 nan 0.000 0.468 139 S N 0.171 115.821 115.700 -0.084 0.000 2.580 139 S HA 0.364 4.834 4.470 -0.001 0.000 0.274 139 S C 0.934 175.452 174.600 -0.138 0.000 1.329 139 S CA -0.664 57.471 58.200 -0.108 0.000 1.036 139 S CB 0.462 63.607 63.200 -0.091 0.000 0.919 139 S HN 0.731 nan 8.310 nan 0.000 0.515 140 I N 1.729 122.186 120.570 -0.189 0.000 2.145 140 I HA -0.239 3.930 4.170 -0.001 0.000 0.244 140 I C 2.472 178.450 176.117 -0.233 0.000 1.075 140 I CA 1.611 62.756 61.300 -0.259 0.000 1.332 140 I CB -0.552 37.179 38.000 -0.448 0.000 1.033 140 I HN 0.716 nan 8.210 nan 0.000 0.410 141 L N 1.134 122.234 121.223 -0.204 0.000 2.043 141 L HA -0.247 4.092 4.340 -0.001 0.000 0.212 141 L C 2.552 179.366 176.870 -0.094 0.000 1.075 141 L CA 2.307 57.062 54.840 -0.141 0.000 0.752 141 L CB -0.727 41.269 42.059 -0.105 0.000 0.891 141 L HN 0.227 nan 8.230 nan 0.000 0.432 142 A N -0.553 122.217 122.820 -0.083 0.000 1.877 142 A HA -0.258 4.061 4.320 -0.001 0.000 0.216 142 A C 2.377 179.927 177.584 -0.056 0.000 1.186 142 A CA 2.110 54.113 52.037 -0.058 0.000 0.620 142 A CB -0.827 18.142 19.000 -0.052 0.000 0.822 142 A HN 0.607 nan 8.150 nan 0.000 0.443 143 M N -0.104 119.453 119.600 -0.072 0.000 2.144 143 M HA -0.261 4.219 4.480 -0.001 0.000 0.260 143 M C 2.000 178.263 176.300 -0.061 0.000 1.067 143 M CA 2.247 57.508 55.300 -0.066 0.000 1.095 143 M CB -0.963 31.591 32.600 -0.077 0.000 1.365 143 M HN 0.603 nan 8.290 nan 0.000 0.406 144 Q N -0.503 119.253 119.800 -0.073 0.000 2.079 144 Q HA -0.142 4.198 4.340 -0.001 0.000 0.200 144 Q C 2.139 178.115 176.000 -0.041 0.000 0.974 144 Q CA 1.552 57.321 55.803 -0.057 0.000 0.840 144 Q CB -0.138 28.560 28.738 -0.067 0.000 0.898 144 Q HN 0.590 nan 8.270 nan 0.000 0.430 145 R N 0.286 120.767 120.500 -0.032 0.000 2.073 145 R HA -0.154 4.185 4.340 -0.001 0.000 0.234 145 R C 2.368 178.675 176.300 0.012 0.000 1.134 145 R CA 1.101 57.197 56.100 -0.007 0.000 0.952 145 R CB -0.653 29.645 30.300 -0.004 0.000 0.850 145 R HN 0.183 nan 8.270 nan 0.000 0.433 146 L N 1.953 123.177 121.223 0.002 0.000 1.997 146 L HA -0.246 4.094 4.340 -0.001 0.000 0.216 146 L C 1.644 178.494 176.870 -0.035 0.000 1.074 146 L CA 1.892 56.745 54.840 0.020 0.000 0.763 146 L CB -0.716 41.339 42.059 -0.006 0.000 0.890 146 L HN 0.172 nan 8.230 nan 0.000 0.434 147 N N -0.287 118.356 118.700 -0.096 0.000 2.135 147 N HA -0.140 4.600 4.740 -0.001 0.000 0.186 147 N C 1.608 176.962 175.510 -0.259 0.000 1.027 147 N CA 1.592 54.530 53.050 -0.187 0.000 0.849 147 N CB -0.145 38.275 38.487 -0.111 0.000 1.002 147 N HN 0.573 nan 8.380 nan 0.000 0.425 148 E N 0.002 120.125 120.200 -0.128 0.000 2.511 148 E HA -0.023 4.326 4.350 -0.001 0.000 0.196 148 E C -0.616 175.978 176.600 -0.010 0.000 1.066 148 E CA 0.035 56.387 56.400 -0.081 0.000 0.871 148 E CB -0.211 29.473 29.700 -0.027 0.000 0.863 148 E HN 0.454 nan 8.360 nan 0.000 0.520 149 H N 0.272 119.337 119.070 -0.008 0.000 2.748 149 H HA -0.147 4.409 4.556 -0.001 0.000 0.322 149 H C -0.496 174.828 175.328 -0.006 0.000 1.208 149 H CA -0.060 55.984 56.048 -0.008 0.000 1.151 149 H CB -0.805 28.954 29.762 -0.006 0.000 1.505 149 H HN 0.119 nan 8.280 nan 0.000 0.429 150 Q N -0.122 119.742 119.800 0.106 0.000 2.391 150 Q HA 0.163 4.502 4.340 -0.001 0.000 0.279 150 Q C -2.073 173.947 176.000 0.033 0.000 1.028 150 Q CA -1.622 54.214 55.803 0.055 0.000 0.836 150 Q CB 2.155 30.917 28.738 0.040 0.000 1.414 150 Q HN 0.101 nan 8.270 nan 0.000 0.397 151 P HA -0.073 nan 4.420 nan 0.000 0.242 151 P C -0.474 176.830 177.300 0.007 0.000 1.197 151 P CA 0.868 63.974 63.100 0.011 0.000 0.765 151 P CB 0.307 32.012 31.700 0.008 0.000 0.936 152 N N -2.539 116.166 118.700 0.008 0.000 2.825 152 N HA 0.492 5.231 4.740 -0.001 0.000 0.253 152 N C -0.195 175.316 175.510 0.001 0.000 1.426 152 N CA -0.922 52.130 53.050 0.003 0.000 0.851 152 N CB 0.420 38.911 38.487 0.008 0.000 1.470 152 N HN -0.180 nan 8.380 nan 0.000 0.517 153 G N -1.146 107.652 108.800 -0.003 0.000 2.543 153 G HA2 0.526 4.485 3.960 -0.001 0.000 0.267 153 G HA3 0.526 4.485 3.960 -0.001 0.000 0.267 153 G C -2.484 172.422 174.900 0.010 0.000 1.406 153 G CA -1.743 43.354 45.100 -0.005 0.000 1.048 153 G HN 0.527 nan 8.290 nan 0.000 0.548 154 P HA 0.230 nan 4.420 nan 0.000 0.256 154 P C -0.118 177.201 177.300 0.031 0.000 1.173 154 P CA 0.681 63.798 63.100 0.029 0.000 0.768 154 P CB 1.019 32.747 31.700 0.048 0.000 0.758 155 A N 2.474 125.309 122.820 0.025 0.000 2.624 155 A HA 0.352 4.671 4.320 -0.001 0.000 0.287 155 A C 0.416 178.015 177.584 0.025 0.000 1.087 155 A CA 0.076 52.129 52.037 0.026 0.000 0.964 155 A CB 0.077 19.089 19.000 0.021 0.000 1.231 155 A HN 0.460 nan 8.150 nan 0.000 0.551 156 T N -4.323 110.245 114.554 0.023 0.000 2.900 156 T HA 0.560 4.909 4.350 -0.001 0.000 0.295 156 T C -2.380 172.329 174.700 0.015 0.000 1.044 156 T CA -1.738 60.377 62.100 0.025 0.000 0.995 156 T CB 2.129 71.017 68.868 0.034 0.000 1.072 156 T HN -0.167 nan 8.240 nan 0.000 0.473 157 P HA -0.193 nan 4.420 nan 0.000 0.217 157 P C 1.713 178.992 177.300 -0.035 0.000 1.162 157 P CA 0.908 64.010 63.100 0.004 0.000 0.901 157 P CB -0.049 31.671 31.700 0.033 0.000 0.793 158 V N -0.104 119.752 119.914 -0.096 0.000 2.270 158 V HA -0.235 3.885 4.120 -0.001 0.000 0.245 158 V C 2.051 178.070 176.094 -0.125 0.000 1.043 158 V CA 2.207 64.378 62.300 -0.214 0.000 1.014 158 V CB -1.287 30.270 31.823 -0.443 0.000 0.645 158 V HN 0.074 nan 8.190 nan 0.000 0.447 159 D N -0.128 120.218 120.400 -0.090 0.000 2.149 159 D HA -0.219 4.421 4.640 -0.001 0.000 0.194 159 D C 2.188 178.499 176.300 0.017 0.000 1.001 159 D CA 1.786 55.760 54.000 -0.043 0.000 0.849 159 D CB -0.245 40.542 40.800 -0.021 0.000 0.939 159 D HN 0.387 nan 8.370 nan 0.000 0.449 160 M N -0.272 119.348 119.600 0.033 0.000 2.077 160 M HA -0.102 4.378 4.480 -0.001 0.000 0.261 160 M C 2.468 178.845 176.300 0.128 0.000 1.070 160 M CA 0.765 56.116 55.300 0.086 0.000 1.125 160 M CB -0.529 32.116 32.600 0.075 0.000 1.339 160 M HN -0.118 nan 8.290 nan 0.000 0.409 161 V N 0.578 120.535 119.914 0.073 0.000 2.469 161 V HA -0.185 3.935 4.120 -0.001 0.000 0.251 161 V C 2.231 178.413 176.094 0.146 0.000 1.064 161 V CA 1.500 63.852 62.300 0.087 0.000 1.066 161 V CB -0.112 31.727 31.823 0.028 0.000 0.667 161 V HN 0.278 nan 8.190 nan 0.000 0.461 162 V N 0.054 120.022 119.914 0.090 0.000 2.307 162 V HA -0.214 3.906 4.120 -0.001 0.000 0.245 162 V C 2.332 178.532 176.094 0.176 0.000 1.045 162 V CA 2.333 64.695 62.300 0.103 0.000 1.024 162 V CB -0.754 31.072 31.823 0.006 0.000 0.651 162 V HN 0.644 nan 8.190 nan 0.000 0.449 163 D N -0.791 119.715 120.400 0.178 0.000 2.087 163 D HA -0.263 4.377 4.640 -0.001 0.000 0.192 163 D C 2.027 178.505 176.300 0.296 0.000 0.993 163 D CA 1.839 55.993 54.000 0.257 0.000 0.828 163 D CB -0.324 40.605 40.800 0.214 0.000 0.968 163 D HN 0.493 nan 8.370 nan 0.000 0.448 164 Y N -0.489 119.898 120.300 0.145 0.000 2.069 164 Y HA -0.376 4.174 4.550 -0.001 0.000 0.278 164 Y C 2.345 178.298 175.900 0.088 0.000 1.175 164 Y CA 2.399 60.573 58.100 0.123 0.000 1.134 164 Y CB -0.653 37.861 38.460 0.090 0.000 0.965 164 Y HN 0.177 nan 8.280 nan 0.000 0.498 165 Y N 0.908 121.326 120.300 0.196 0.000 2.128 165 Y HA -0.263 4.286 4.550 -0.001 0.000 0.284 165 Y C 2.252 178.088 175.900 -0.107 0.000 1.154 165 Y CA 2.225 60.333 58.100 0.013 0.000 1.149 165 Y CB -0.549 37.852 38.460 -0.098 0.000 0.976 165 Y HN 0.014 nan 8.280 nan 0.000 0.505 166 K N -1.189 118.978 120.400 -0.388 0.000 2.147 166 K HA -0.107 4.213 4.320 -0.001 0.000 0.205 166 K C 1.190 177.165 176.600 -1.041 0.000 1.049 166 K CA 1.849 57.647 56.287 -0.815 0.000 0.936 166 K CB -0.141 31.943 32.500 -0.693 0.000 0.722 166 K HN 0.372 nan 8.250 nan 0.000 0.446 167 F N -0.827 118.951 119.950 -0.287 0.000 2.268 167 F HA 0.083 4.609 4.527 -0.001 0.000 0.262 167 F C 1.581 177.190 175.800 -0.318 0.000 0.910 167 F CA -0.362 57.475 58.000 -0.272 0.000 1.142 167 F CB -0.118 38.853 39.000 -0.049 0.000 1.229 167 F HN -0.187 nan 8.300 nan 0.000 0.781 168 D N 0.031 120.353 120.400 -0.130 0.000 2.133 168 D HA -0.267 4.373 4.640 -0.001 0.000 0.195 168 D C 1.691 177.846 176.300 -0.242 0.000 0.997 168 D CA 1.586 55.357 54.000 -0.381 0.000 0.840 168 D CB -0.443 39.608 40.800 -1.249 0.000 0.947 168 D HN 0.242 nan 8.370 nan 0.000 0.452 169 Y N 0.646 120.730 120.300 -0.360 0.000 2.569 169 Y HA -0.100 4.449 4.550 -0.001 0.000 0.293 169 Y C 1.880 177.686 175.900 -0.157 0.000 1.144 169 Y CA 0.999 59.031 58.100 -0.112 0.000 1.321 169 Y CB 0.129 38.507 38.460 -0.138 0.000 0.982 169 Y HN -0.101 nan 8.280 nan 0.000 0.558 170 E N -1.257 118.678 120.200 -0.442 0.000 2.256 170 E HA 0.100 4.450 4.350 -0.001 0.000 0.198 170 E C 0.940 177.232 176.600 -0.514 0.000 0.908 170 E CA 0.927 56.903 56.400 -0.706 0.000 0.915 170 E CB -0.377 28.663 29.700 -1.100 0.000 0.890 170 E HN 0.357 nan 8.360 nan 0.000 0.484 171 F N -0.474 119.492 119.950 0.027 0.000 2.682 171 F HA 0.492 5.018 4.527 -0.001 0.000 0.308 171 F C 1.099 177.050 175.800 0.252 0.000 1.093 171 F CA -0.012 58.063 58.000 0.125 0.000 1.244 171 F CB 0.758 39.812 39.000 0.089 0.000 1.052 171 F HN 0.084 nan 8.300 nan 0.000 0.573 172 A N 0.431 123.455 122.820 0.341 0.000 2.861 172 A HA -0.268 4.052 4.320 -0.001 0.000 0.261 172 A C 0.217 177.845 177.584 0.073 0.000 1.351 172 A CA 1.448 53.617 52.037 0.219 0.000 0.904 172 A CB -2.135 16.948 19.000 0.138 0.000 1.076 172 A HN 0.542 nan 8.150 nan 0.000 0.729 173 E N -1.358 118.891 120.200 0.082 0.000 2.366 173 E HA 0.480 4.829 4.350 -0.001 0.000 0.278 173 E C -3.025 173.583 176.600 0.013 0.000 0.923 173 E CA -2.437 53.978 56.400 0.024 0.000 0.761 173 E CB 2.029 31.744 29.700 0.024 0.000 1.231 173 E HN 0.140 nan 8.360 nan 0.000 0.443 174 P HA 0.024 nan 4.420 nan 0.000 0.269 174 P C -2.155 175.122 177.300 -0.039 0.000 1.215 174 P CA -0.962 62.126 63.100 -0.021 0.000 0.780 174 P CB 0.149 31.845 31.700 -0.007 0.000 0.898 175 P HA -0.177 nan 4.420 nan 0.000 0.220 175 P C 1.117 178.316 177.300 -0.169 0.000 1.144 175 P CA 1.496 64.458 63.100 -0.230 0.000 0.800 175 P CB -0.156 31.283 31.700 -0.434 0.000 0.772 176 R N 0.022 120.458 120.500 -0.107 0.000 2.323 176 R HA 0.018 4.358 4.340 -0.001 0.000 0.198 176 R C 1.293 177.552 176.300 -0.068 0.000 0.988 176 R CA 0.942 56.991 56.100 -0.084 0.000 1.041 176 R CB -0.703 29.564 30.300 -0.055 0.000 0.926 176 R HN 0.219 nan 8.270 nan 0.000 0.476 177 V N -3.331 116.542 119.914 -0.068 0.000 3.621 177 V HA 0.233 4.353 4.120 -0.001 0.000 0.263 177 V C 0.322 176.367 176.094 -0.082 0.000 1.272 177 V CA -0.063 62.199 62.300 -0.063 0.000 1.080 177 V CB 0.319 32.111 31.823 -0.052 0.000 0.816 177 V HN 0.119 nan 8.190 nan 0.000 0.451 178 T N 2.682 117.174 114.554 -0.102 0.000 2.794 178 T HA 0.361 4.711 4.350 -0.001 0.000 0.296 178 T C 0.312 174.916 174.700 -0.160 0.000 0.949 178 T CA 0.675 62.691 62.100 -0.141 0.000 1.101 178 T CB 1.129 69.902 68.868 -0.158 0.000 0.905 178 T HN 0.577 nan 8.240 nan 0.000 0.516 179 S N 3.125 118.732 115.700 -0.155 0.000 2.525 179 S HA 0.022 4.491 4.470 -0.001 0.000 0.285 179 S C 1.310 175.757 174.600 -0.255 0.000 1.283 179 S CA -0.803 57.285 58.200 -0.188 0.000 1.072 179 S CB -0.023 63.042 63.200 -0.224 0.000 0.867 179 S HN 0.659 nan 8.310 nan 0.000 0.492 180 L N 5.056 126.158 121.223 -0.202 0.000 2.017 180 L HA -0.062 4.277 4.340 -0.001 0.000 0.208 180 L C 2.627 179.372 176.870 -0.208 0.000 1.073 180 L CA 2.198 56.931 54.840 -0.179 0.000 0.745 180 L CB -0.800 41.179 42.059 -0.134 0.000 0.894 180 L HN 0.952 nan 8.230 nan 0.000 0.432 181 Q N -0.688 118.966 119.800 -0.243 0.000 2.291 181 Q HA -0.160 4.180 4.340 -0.001 0.000 0.206 181 Q C 0.789 176.570 176.000 -0.366 0.000 0.976 181 Q CA 1.559 57.208 55.803 -0.256 0.000 0.875 181 Q CB 0.059 28.651 28.738 -0.243 0.000 0.927 181 Q HN 0.646 nan 8.270 nan 0.000 0.450 182 N N -1.106 117.276 118.700 -0.530 0.000 2.200 182 N HA 0.056 4.796 4.740 -0.001 0.000 0.224 182 N C 0.044 175.277 175.510 -0.461 0.000 1.179 182 N CA 0.751 53.378 53.050 -0.705 0.000 0.877 182 N CB 1.477 39.037 38.487 -1.545 0.000 1.072 182 N HN 0.251 nan 8.380 nan 0.000 0.519 183 T N -3.751 110.607 114.554 -0.327 0.000 3.029 183 T HA 0.182 4.531 4.350 -0.001 0.000 0.256 183 T C 0.310 175.026 174.700 0.027 0.000 0.914 183 T CA 0.039 61.990 62.100 -0.248 0.000 0.880 183 T CB 0.681 69.168 68.868 -0.634 0.000 1.246 183 T HN -0.201 nan 8.240 nan 0.000 0.523 184 V N 5.003 124.907 119.914 -0.015 0.000 2.325 184 V HA 0.482 4.602 4.120 -0.001 0.000 0.280 184 V C -2.475 173.615 176.094 -0.007 0.000 1.016 184 V CA -2.047 60.286 62.300 0.055 0.000 0.818 184 V CB 1.601 33.468 31.823 0.074 0.000 1.019 184 V HN 0.238 nan 8.190 nan 0.000 0.434 185 P HA 0.334 nan 4.420 nan 0.000 0.279 185 P C -0.912 176.426 177.300 0.063 0.000 1.276 185 P CA -0.649 62.481 63.100 0.050 0.000 0.801 185 P CB 1.598 33.312 31.700 0.024 0.000 1.127 186 L N 0.538 121.851 121.223 0.150 0.000 2.265 186 L HA 0.425 4.765 4.340 -0.001 0.000 0.289 186 L C 1.563 178.465 176.870 0.053 0.000 1.033 186 L CA -0.388 54.546 54.840 0.157 0.000 0.814 186 L CB 0.430 42.705 42.059 0.359 0.000 1.203 186 L HN 0.516 nan 8.230 nan 0.000 0.423 187 A N 3.023 125.822 122.820 -0.035 0.000 1.997 187 A HA -0.211 4.109 4.320 -0.001 0.000 0.221 187 A C 1.993 179.539 177.584 -0.064 0.000 1.172 187 A CA 2.490 54.457 52.037 -0.117 0.000 0.645 187 A CB -0.773 18.066 19.000 -0.268 0.000 0.813 187 A HN 0.831 nan 8.150 nan 0.000 0.454 188 T N -0.921 113.602 114.554 -0.052 0.000 2.684 188 T HA -0.150 4.200 4.350 -0.001 0.000 0.267 188 T C 1.476 175.925 174.700 -0.418 0.000 1.036 188 T CA 1.899 63.831 62.100 -0.280 0.000 1.148 188 T CB -0.406 68.003 68.868 -0.764 0.000 0.863 188 T HN 0.558 nan 8.240 nan 0.000 0.436 189 F N 1.012 120.910 119.950 -0.086 0.000 2.262 189 F HA 0.034 4.561 4.527 -0.001 0.000 0.292 189 F C 2.866 178.614 175.800 -0.086 0.000 1.081 189 F CA 0.348 58.298 58.000 -0.083 0.000 1.355 189 F CB -0.270 38.684 39.000 -0.078 0.000 1.069 189 F HN 0.037 nan 8.300 nan 0.000 0.506 190 S N 0.004 115.752 115.700 0.081 0.000 2.383 190 S HA -0.183 4.286 4.470 -0.001 0.000 0.229 190 S C 1.249 175.804 174.600 -0.075 0.000 1.030 190 S CA 1.643 59.841 58.200 -0.004 0.000 1.002 190 S CB -0.313 62.865 63.200 -0.036 0.000 0.829 190 S HN 0.344 nan 8.310 nan 0.000 0.467 191 D N 0.261 120.541 120.400 -0.200 0.000 2.201 191 D HA 0.159 4.798 4.640 -0.001 0.000 0.209 191 D C 1.243 177.404 176.300 -0.231 0.000 0.961 191 D CA 0.788 54.583 54.000 -0.342 0.000 0.861 191 D CB -0.199 40.205 40.800 -0.660 0.000 0.997 191 D HN 0.475 nan 8.370 nan 0.000 0.486 192 F N 0.066 119.973 119.950 -0.073 0.000 2.704 192 F HA 0.397 4.924 4.527 -0.001 0.000 0.304 192 F C 1.202 176.952 175.800 -0.085 0.000 1.094 192 F CA -0.036 57.883 58.000 -0.135 0.000 1.275 192 F CB 1.262 40.077 39.000 -0.308 0.000 1.073 192 F HN -0.040 nan 8.300 nan 0.000 0.586 193 G N 0.586 109.465 108.800 0.130 0.000 2.440 193 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.684 193 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.684 193 G C -0.666 174.366 174.900 0.220 0.000 1.309 193 G CA -0.700 44.474 45.100 0.123 0.000 0.931 193 G HN -0.006 nan 8.290 nan 0.000 0.612 194 D N -0.139 120.349 120.400 0.148 0.000 2.348 194 D HA 0.078 4.718 4.640 -0.001 0.000 0.211 194 D C 0.350 176.703 176.300 0.088 0.000 0.998 194 D CA 0.530 54.580 54.000 0.083 0.000 0.873 194 D CB 0.237 40.994 40.800 -0.073 0.000 0.925 194 D HN 0.373 nan 8.370 nan 0.000 0.524 195 D N 0.741 121.222 120.400 0.135 0.000 2.302 195 D HA 0.143 4.783 4.640 -0.001 0.000 0.248 195 D C 0.321 176.731 176.300 0.185 0.000 1.094 195 D CA -0.172 53.895 54.000 0.111 0.000 0.897 195 D CB 2.334 43.205 40.800 0.119 0.000 1.200 195 D HN -0.124 nan 8.370 nan 0.000 0.429 196 V N 0.412 120.423 119.914 0.161 0.000 2.628 196 V HA 0.575 4.695 4.120 -0.001 0.000 0.306 196 V C -1.302 174.955 176.094 0.271 0.000 1.045 196 V CA -0.698 61.786 62.300 0.306 0.000 0.905 196 V CB 1.332 33.312 31.823 0.261 0.000 0.997 196 V HN 0.317 nan 8.190 nan 0.000 0.436 197 Y N 3.642 124.180 120.300 0.396 0.000 2.364 197 Y HA 0.587 5.137 4.550 -0.001 0.000 0.340 197 Y C -0.466 175.595 175.900 0.268 0.000 0.975 197 Y CA -0.885 57.402 58.100 0.312 0.000 1.089 197 Y CB 2.104 40.605 38.460 0.069 0.000 1.192 197 Y HN 0.801 nan 8.280 nan 0.000 0.454 198 F N 4.338 124.369 119.950 0.134 0.000 2.375 198 F HA 0.485 5.011 4.527 -0.001 0.000 0.362 198 F C -0.478 175.265 175.800 -0.094 0.000 1.129 198 F CA -0.888 56.971 58.000 -0.236 0.000 1.154 198 F CB 0.353 39.267 39.000 -0.144 0.000 1.205 198 F HN 0.177 nan 8.300 nan 0.000 0.513 199 V N 6.376 125.980 119.914 -0.516 0.000 2.415 199 V HA 0.384 4.504 4.120 -0.001 0.000 0.267 199 V C 0.370 176.288 176.094 -0.293 0.000 1.042 199 V CA -0.117 61.959 62.300 -0.374 0.000 1.000 199 V CB 0.208 31.677 31.823 -0.589 0.000 1.015 199 V HN 0.863 nan 8.190 nan 0.000 0.478 200 A N 4.419 127.231 122.820 -0.012 0.000 2.709 200 A HA 0.630 4.950 4.320 -0.001 0.000 0.332 200 A C -0.569 177.053 177.584 0.063 0.000 1.241 200 A CA -0.409 51.687 52.037 0.098 0.000 0.782 200 A CB 0.368 19.472 19.000 0.173 0.000 1.109 200 A HN 0.724 nan 8.150 nan 0.000 0.472 201 D N 1.750 122.178 120.400 0.047 0.000 2.763 201 D HA 0.143 4.783 4.640 -0.001 0.000 0.235 201 D C 0.360 176.687 176.300 0.044 0.000 1.334 201 D CA -0.279 53.738 54.000 0.028 0.000 0.950 201 D CB 1.464 42.251 40.800 -0.022 0.000 1.433 201 D HN 0.325 nan 8.370 nan 0.000 0.580 202 Q N 2.192 122.022 119.800 0.050 0.000 2.508 202 Q HA -0.058 4.282 4.340 -0.001 0.000 0.214 202 Q C 1.424 177.430 176.000 0.010 0.000 0.979 202 Q CA 0.667 56.494 55.803 0.039 0.000 0.911 202 Q CB 0.210 28.970 28.738 0.037 0.000 0.969 202 Q HN 0.507 nan 8.270 nan 0.000 0.504 203 R N 0.027 120.530 120.500 0.005 0.000 2.120 203 R HA -0.009 4.331 4.340 -0.001 0.000 0.234 203 R C 0.784 177.094 176.300 0.015 0.000 1.123 203 R CA 0.836 56.932 56.100 -0.007 0.000 0.975 203 R CB -0.067 30.228 30.300 -0.009 0.000 0.866 203 R HN 0.273 nan 8.270 nan 0.000 0.446 204 G N -0.963 107.869 108.800 0.053 0.000 2.784 204 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.686 204 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.686 204 G C -0.138 174.878 174.900 0.194 0.000 1.156 204 G CA -0.326 44.841 45.100 0.111 0.000 0.757 204 G HN 0.298 nan 8.290 nan 0.000 0.642 205 Y N 0.828 121.162 120.300 0.056 0.000 2.207 205 Y HA -0.244 4.305 4.550 -0.001 0.000 0.287 205 Y C 2.832 178.810 175.900 0.131 0.000 1.156 205 Y CA 2.116 60.257 58.100 0.068 0.000 1.182 205 Y CB 0.169 38.662 38.460 0.055 0.000 0.979 205 Y HN 0.864 nan 8.280 nan 0.000 0.521 206 E N 0.467 120.831 120.200 0.274 0.000 2.284 206 E HA -0.282 4.068 4.350 -0.001 0.000 0.200 206 E C 2.018 178.850 176.600 0.387 0.000 1.008 206 E CA 0.967 57.544 56.400 0.294 0.000 0.829 206 E CB -0.497 29.462 29.700 0.432 0.000 0.744 206 E HN 0.495 nan 8.360 nan 0.000 0.491 207 A N 1.555 124.555 122.820 0.299 0.000 1.997 207 A HA -0.175 4.145 4.320 -0.001 0.000 0.221 207 A C 2.485 180.240 177.584 0.285 0.000 1.172 207 A CA 1.745 53.938 52.037 0.260 0.000 0.645 207 A CB -0.791 18.288 19.000 0.131 0.000 0.813 207 A HN 0.234 nan 8.150 nan 0.000 0.454 208 V N -0.561 119.489 119.914 0.227 0.000 2.343 208 V HA -0.237 3.882 4.120 -0.001 0.000 0.247 208 V C 2.530 178.762 176.094 0.229 0.000 1.051 208 V CA 2.029 64.441 62.300 0.186 0.000 1.036 208 V CB -0.826 31.064 31.823 0.112 0.000 0.654 208 V HN 0.404 nan 8.190 nan 0.000 0.451 209 V N -1.376 118.645 119.914 0.177 0.000 2.379 209 V HA -0.240 3.880 4.120 -0.001 0.000 0.245 209 V C 2.192 178.332 176.094 0.076 0.000 1.044 209 V CA 1.835 64.195 62.300 0.101 0.000 1.036 209 V CB -0.844 30.983 31.823 0.006 0.000 0.664 209 V HN 0.480 nan 8.190 nan 0.000 0.453 210 Y N -0.735 119.640 120.300 0.125 0.000 2.165 210 Y HA -0.313 4.236 4.550 -0.001 0.000 0.286 210 Y C 2.491 178.453 175.900 0.103 0.000 1.155 210 Y CA 2.505 60.665 58.100 0.100 0.000 1.164 210 Y CB -0.672 37.851 38.460 0.105 0.000 0.978 210 Y HN 0.339 nan 8.280 nan 0.000 0.513 211 Y N 0.168 120.585 120.300 0.196 0.000 2.145 211 Y HA -0.253 4.297 4.550 -0.001 0.000 0.286 211 Y C 1.993 177.957 175.900 0.106 0.000 1.145 211 Y CA 1.611 59.783 58.100 0.121 0.000 1.148 211 Y CB -0.692 37.819 38.460 0.086 0.000 0.981 211 Y HN 0.032 nan 8.280 nan 0.000 0.507 212 L N 0.037 121.267 121.223 0.011 0.000 2.131 212 L HA -0.190 4.149 4.340 -0.001 0.000 0.210 212 L C 2.789 179.699 176.870 0.066 0.000 1.092 212 L CA 1.117 55.951 54.840 -0.010 0.000 0.759 212 L CB -0.941 41.233 42.059 0.192 0.000 0.903 212 L HN 0.363 nan 8.230 nan 0.000 0.435 213 A N 0.146 122.980 122.820 0.022 0.000 1.972 213 A HA -0.114 4.205 4.320 -0.001 0.000 0.219 213 A C 2.298 179.727 177.584 -0.260 0.000 1.169 213 A CA 1.694 53.659 52.037 -0.120 0.000 0.635 213 A CB -1.006 17.894 19.000 -0.167 0.000 0.810 213 A HN 0.445 nan 8.150 nan 0.000 0.446 214 G N -1.756 106.949 108.800 -0.158 0.000 2.880 214 G HA2 0.056 4.015 3.960 -0.001 0.000 0.209 214 G HA3 0.056 4.015 3.960 -0.001 0.000 0.209 214 G C 1.301 176.113 174.900 -0.146 0.000 1.157 214 G CA 0.331 45.342 45.100 -0.148 0.000 0.779 214 G HN 0.383 nan 8.290 nan 0.000 0.539 215 Q N 0.004 119.726 119.800 -0.130 0.000 2.170 215 Q HA -0.118 4.222 4.340 -0.001 0.000 0.203 215 Q C 1.737 177.808 176.000 0.118 0.000 0.976 215 Q CA 1.378 57.167 55.803 -0.023 0.000 0.858 215 Q CB -0.304 28.446 28.738 0.019 0.000 0.907 215 Q HN 0.947 nan 8.270 nan 0.000 0.433 216 Y N -3.524 116.724 120.300 -0.086 0.000 2.540 216 Y HA 0.451 5.001 4.550 -0.001 0.000 0.257 216 Y C 0.192 176.062 175.900 -0.049 0.000 1.090 216 Y CA -0.552 57.512 58.100 -0.060 0.000 1.242 216 Y CB 0.414 38.840 38.460 -0.056 0.000 1.325 216 Y HN -0.212 nan 8.280 nan 0.000 0.544 217 L N 3.271 124.210 121.223 -0.473 0.000 2.307 217 L HA 0.382 4.721 4.340 -0.001 0.000 0.284 217 L C -0.045 176.713 176.870 -0.187 0.000 1.023 217 L CA -1.036 53.575 54.840 -0.382 0.000 0.810 217 L CB 1.852 43.608 42.059 -0.505 0.000 1.231 217 L HN 0.083 nan 8.230 nan 0.000 0.423 218 K N 2.751 123.079 120.400 -0.119 0.000 2.472 218 K HA 0.109 4.429 4.320 -0.001 0.000 0.280 218 K C -0.382 176.182 176.600 -0.061 0.000 1.028 218 K CA 0.066 56.311 56.287 -0.069 0.000 1.045 218 K CB 0.439 32.911 32.500 -0.047 0.000 0.902 218 K HN 0.734 nan 8.250 nan 0.000 0.478 219 T N 0.842 115.371 114.554 -0.042 0.000 2.887 219 T HA 0.145 4.494 4.350 -0.001 0.000 0.288 219 T C -0.580 174.114 174.700 -0.010 0.000 1.021 219 T CA -1.139 60.947 62.100 -0.023 0.000 1.000 219 T CB 1.533 70.392 68.868 -0.015 0.000 1.034 219 T HN 0.579 nan 8.240 nan 0.000 0.467 220 D N 1.201 121.600 120.400 -0.002 0.000 2.425 220 D HA 0.072 4.712 4.640 -0.001 0.000 0.247 220 D C 0.984 177.286 176.300 0.003 0.000 1.147 220 D CA -0.214 53.787 54.000 0.001 0.000 0.879 220 D CB 0.664 41.467 40.800 0.004 0.000 1.179 220 D HN 0.518 nan 8.370 nan 0.000 0.456 221 D N 3.642 124.043 120.400 0.001 0.000 2.144 221 D HA -0.173 4.466 4.640 -0.001 0.000 0.199 221 D C 1.315 177.617 176.300 0.004 0.000 0.984 221 D CA 0.869 54.870 54.000 0.002 0.000 0.834 221 D CB 0.270 41.071 40.800 0.001 0.000 0.955 221 D HN 0.479 nan 8.370 nan 0.000 0.465 222 K N 0.717 121.119 120.400 0.003 0.000 2.099 222 K HA -0.060 4.259 4.320 -0.001 0.000 0.203 222 K C 2.392 178.994 176.600 0.004 0.000 1.047 222 K CA 0.933 57.222 56.287 0.003 0.000 0.963 222 K CB 0.201 32.702 32.500 0.002 0.000 0.759 222 K HN 0.052 nan 8.250 nan 0.000 0.451 223 S N -1.341 114.361 115.700 0.004 0.000 2.404 223 S HA 0.121 4.590 4.470 -0.001 0.000 0.223 223 S C 1.531 176.134 174.600 0.006 0.000 1.040 223 S CA 1.223 59.426 58.200 0.005 0.000 0.957 223 S CB 0.329 63.533 63.200 0.006 0.000 0.826 223 S HN 0.581 nan 8.310 nan 0.000 0.491 224 G N 1.088 109.894 108.800 0.011 0.000 2.307 224 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.210 224 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.210 224 G C -0.060 174.858 174.900 0.029 0.000 1.005 224 G CA -0.074 45.037 45.100 0.017 0.000 0.634 224 G HN 0.607 nan 8.290 nan 0.000 0.496 225 K N 1.133 121.550 120.400 0.030 0.000 2.530 225 K HA 0.237 4.556 4.320 -0.001 0.000 0.280 225 K C 0.891 177.513 176.600 0.036 0.000 1.004 225 K CA 0.092 56.408 56.287 0.048 0.000 1.071 225 K CB 0.584 33.108 32.500 0.040 0.000 0.876 225 K HN 0.408 nan 8.250 nan 0.000 0.487 226 I N 3.098 123.696 120.570 0.047 0.000 2.775 226 I HA -0.170 3.999 4.170 -0.001 0.000 0.290 226 I C 1.329 177.443 176.117 -0.006 0.000 1.203 226 I CA 0.295 61.594 61.300 -0.001 0.000 1.433 226 I CB 0.368 38.351 38.000 -0.027 0.000 1.354 226 I HN 0.504 nan 8.210 nan 0.000 0.579 227 V N 0.338 120.237 119.914 -0.025 0.000 3.411 227 V HA 0.176 4.296 4.120 -0.001 0.000 0.287 227 V C 0.555 176.631 176.094 -0.032 0.000 1.543 227 V CA -0.366 61.922 62.300 -0.019 0.000 1.028 227 V CB 0.093 31.910 31.823 -0.011 0.000 0.840 227 V HN 0.731 nan 8.190 nan 0.000 0.435 228 D N 4.376 124.744 120.400 -0.053 0.000 2.570 228 D HA 0.033 4.673 4.640 -0.001 0.000 0.243 228 D C -0.947 175.322 176.300 -0.051 0.000 1.171 228 D CA -0.643 53.319 54.000 -0.062 0.000 0.879 228 D CB 1.811 42.548 40.800 -0.105 0.000 1.143 228 D HN 0.250 nan 8.370 nan 0.000 0.511 229 P HA -0.148 nan 4.420 nan 0.000 0.224 229 P C 1.013 178.292 177.300 -0.034 0.000 1.142 229 P CA 0.861 63.946 63.100 -0.025 0.000 0.778 229 P CB 0.249 31.942 31.700 -0.012 0.000 0.764 230 R N -1.276 119.196 120.500 -0.048 0.000 2.200 230 R HA 0.072 4.412 4.340 -0.001 0.000 0.208 230 R C 0.769 177.023 176.300 -0.077 0.000 1.033 230 R CA -0.122 55.946 56.100 -0.053 0.000 1.000 230 R CB -0.299 29.976 30.300 -0.042 0.000 0.906 230 R HN 0.152 nan 8.270 nan 0.000 0.462 231 L N 1.866 123.037 121.223 -0.085 0.000 2.265 231 L HA 0.155 4.494 4.340 -0.001 0.000 0.288 231 L C -0.941 175.878 176.870 -0.084 0.000 1.058 231 L CA 0.239 55.021 54.840 -0.097 0.000 0.809 231 L CB 1.322 43.316 42.059 -0.108 0.000 1.179 231 L HN -0.068 nan 8.230 nan 0.000 0.429 232 Q N 6.585 126.323 119.800 -0.102 0.000 2.464 232 Q HA 0.390 4.730 4.340 -0.001 0.000 0.256 232 Q C -0.809 175.132 176.000 -0.099 0.000 1.020 232 Q CA -0.328 55.420 55.803 -0.092 0.000 0.716 232 Q CB 1.644 30.312 28.738 -0.117 0.000 1.230 232 Q HN 0.697 nan 8.270 nan 0.000 0.494 233 L N 1.445 122.626 121.223 -0.071 0.000 2.472 233 L HA 0.216 4.556 4.340 -0.001 0.000 0.260 233 L C 0.876 177.708 176.870 -0.063 0.000 1.209 233 L CA -0.482 54.315 54.840 -0.072 0.000 0.817 233 L CB 0.228 42.270 42.059 -0.028 0.000 1.106 233 L HN 0.620 nan 8.230 nan 0.000 0.479 234 N N 0.383 119.038 118.700 -0.075 0.000 2.721 234 N HA -0.159 4.580 4.740 -0.001 0.000 0.249 234 N C -0.739 174.730 175.510 -0.069 0.000 1.072 234 N CA 0.976 53.993 53.050 -0.055 0.000 0.710 234 N CB -0.749 37.739 38.487 0.001 0.000 0.993 234 N HN 0.463 nan 8.380 nan 0.000 0.547 235 K N 0.753 121.078 120.400 -0.126 0.000 2.473 235 K HA 0.362 4.681 4.320 -0.001 0.000 0.246 235 K C -0.410 176.090 176.600 -0.167 0.000 1.011 235 K CA -0.449 55.773 56.287 -0.109 0.000 0.984 235 K CB 1.591 34.026 32.500 -0.109 0.000 1.250 235 K HN -0.127 nan 8.250 nan 0.000 0.454 236 V N 3.958 123.795 119.914 -0.127 0.000 2.353 236 V HA 0.125 4.245 4.120 -0.001 0.000 0.264 236 V C 0.442 176.486 176.094 -0.084 0.000 1.049 236 V CA -0.804 61.405 62.300 -0.151 0.000 0.896 236 V CB 1.264 33.068 31.823 -0.032 0.000 1.025 236 V HN 0.299 nan 8.190 nan 0.000 0.475 237 V N 7.832 127.676 119.914 -0.116 0.000 2.508 237 V HA 0.255 4.374 4.120 -0.001 0.000 0.281 237 V C 1.210 177.258 176.094 -0.076 0.000 1.041 237 V CA -0.008 62.239 62.300 -0.089 0.000 1.016 237 V CB 1.056 32.808 31.823 -0.118 0.000 0.984 237 V HN 0.794 nan 8.190 nan 0.000 0.478 238 R N 2.663 123.126 120.500 -0.063 0.000 2.369 238 R HA 0.366 4.706 4.340 -0.001 0.000 0.210 238 R C 0.394 176.633 176.300 -0.102 0.000 0.881 238 R CA 0.121 56.185 56.100 -0.061 0.000 1.031 238 R CB 0.871 31.156 30.300 -0.024 0.000 1.184 238 R HN 0.712 nan 8.270 nan 0.000 0.581 239 E N 0.348 120.479 120.200 -0.116 0.000 2.321 239 E HA 0.444 4.793 4.350 -0.001 0.000 0.278 239 E C -1.369 175.136 176.600 -0.159 0.000 0.902 239 E CA -0.483 55.832 56.400 -0.141 0.000 0.758 239 E CB 2.322 31.980 29.700 -0.070 0.000 1.213 239 E HN -0.081 nan 8.360 nan 0.000 0.426 240 I N 3.392 123.825 120.570 -0.229 0.000 2.439 240 I HA 0.302 4.472 4.170 -0.001 0.000 0.283 240 I C -0.474 175.696 176.117 0.088 0.000 1.023 240 I CA -0.468 60.761 61.300 -0.120 0.000 1.100 240 I CB 1.607 39.437 38.000 -0.284 0.000 1.238 240 I HN 0.136 nan 8.210 nan 0.000 0.445 241 K N 6.628 127.088 120.400 0.100 0.000 2.185 241 K HA 0.512 4.831 4.320 -0.001 0.000 0.269 241 K C -1.610 175.094 176.600 0.173 0.000 0.987 241 K CA -0.623 55.718 56.287 0.091 0.000 0.865 241 K CB 1.281 33.785 32.500 0.007 0.000 1.090 241 K HN 0.509 nan 8.250 nan 0.000 0.450 242 Y N 0.033 120.362 120.300 0.048 0.000 2.354 242 Y HA 0.503 5.052 4.550 -0.001 0.000 0.330 242 Y C -0.574 175.342 175.900 0.027 0.000 1.011 242 Y CA -1.022 57.101 58.100 0.038 0.000 1.099 242 Y CB 1.322 39.816 38.460 0.056 0.000 1.179 242 Y HN 0.446 nan 8.280 nan 0.000 0.442 243 S N 2.745 118.457 115.700 0.021 0.000 2.709 243 S HA 0.602 5.071 4.470 -0.001 0.000 0.302 243 S C -2.265 172.369 174.600 0.058 0.000 1.127 243 S CA -1.791 56.403 58.200 -0.011 0.000 0.905 243 S CB 1.944 65.116 63.200 -0.046 0.000 1.151 243 S HN 0.506 nan 8.310 nan 0.000 0.510 244 P HA 0.058 nan 4.420 nan 0.000 0.225 244 P C 1.494 178.812 177.300 0.029 0.000 1.148 244 P CA 1.429 64.562 63.100 0.055 0.000 0.779 244 P CB -0.677 31.051 31.700 0.046 0.000 0.780 245 G N -0.473 108.333 108.800 0.010 0.000 2.432 245 G HA2 0.205 4.164 3.960 -0.001 0.000 0.219 245 G HA3 0.205 4.164 3.960 -0.001 0.000 0.219 245 G C 0.806 175.686 174.900 -0.033 0.000 1.135 245 G CA 0.798 45.892 45.100 -0.010 0.000 0.767 245 G HN 0.675 nan 8.290 nan 0.000 0.550 246 G N -2.044 106.743 108.800 -0.023 0.000 2.350 246 G HA2 0.466 4.425 3.960 -0.001 0.000 0.282 246 G HA3 0.466 4.425 3.960 -0.001 0.000 0.282 246 G C -1.338 173.566 174.900 0.007 0.000 1.314 246 G CA 0.050 45.119 45.100 -0.052 0.000 0.915 246 G HN 1.282 nan 8.290 nan 0.000 0.499 247 V N -3.416 116.501 119.914 0.004 0.000 2.925 247 V HA 0.933 5.053 4.120 -0.001 0.000 0.311 247 V C -0.351 175.767 176.094 0.040 0.000 1.104 247 V CA -0.364 61.969 62.300 0.055 0.000 0.954 247 V CB 1.618 33.491 31.823 0.084 0.000 1.022 247 V HN 1.199 nan 8.190 nan 0.000 0.427 248 T N 2.683 117.267 114.554 0.050 0.000 2.797 248 T HA 0.690 5.039 4.350 -0.001 0.000 0.279 248 T C -0.828 173.901 174.700 0.048 0.000 0.991 248 T CA -0.264 61.860 62.100 0.041 0.000 0.979 248 T CB 1.413 70.291 68.868 0.017 0.000 0.943 248 T HN 0.799 nan 8.240 nan 0.000 0.444 249 V N 5.532 125.491 119.914 0.074 0.000 2.376 249 V HA 0.452 4.572 4.120 -0.001 0.000 0.287 249 V C 0.175 176.341 176.094 0.121 0.000 1.015 249 V CA -0.910 61.431 62.300 0.067 0.000 0.834 249 V CB 1.472 33.321 31.823 0.042 0.000 1.001 249 V HN 0.681 nan 8.190 nan 0.000 0.428 250 K N 3.311 123.739 120.400 0.046 0.000 2.201 250 K HA 0.541 4.861 4.320 -0.001 0.000 0.278 250 K C 0.338 176.964 176.600 0.043 0.000 1.027 250 K CA -0.252 56.060 56.287 0.042 0.000 0.909 250 K CB 1.377 33.875 32.500 -0.003 0.000 1.062 250 K HN 0.876 nan 8.250 nan 0.000 0.465 251 T N -0.505 114.101 114.554 0.086 0.000 2.897 251 T HA 0.171 4.521 4.350 -0.001 0.000 0.278 251 T C 1.064 175.782 174.700 0.029 0.000 0.981 251 T CA -0.670 61.465 62.100 0.057 0.000 0.973 251 T CB 1.358 70.291 68.868 0.109 0.000 1.092 251 T HN 0.662 nan 8.240 nan 0.000 0.543 252 E N 0.021 120.233 120.200 0.021 0.000 2.285 252 E HA -0.096 4.254 4.350 -0.001 0.000 0.194 252 E C 0.691 177.302 176.600 0.018 0.000 0.997 252 E CA 0.806 57.217 56.400 0.019 0.000 0.845 252 E CB -0.040 29.679 29.700 0.032 0.000 0.782 252 E HN 0.780 nan 8.360 nan 0.000 0.491 253 D N -0.580 119.833 120.400 0.022 0.000 2.352 253 D HA -0.044 4.595 4.640 -0.001 0.000 0.236 253 D C 0.149 176.449 176.300 -0.000 0.000 1.148 253 D CA -0.066 53.942 54.000 0.014 0.000 0.844 253 D CB -0.132 40.680 40.800 0.020 0.000 0.933 253 D HN -0.006 nan 8.370 nan 0.000 0.507 254 N N -0.808 117.890 118.700 -0.003 0.000 2.936 254 N HA -0.179 4.561 4.740 -0.001 0.000 0.236 254 N C -0.816 174.662 175.510 -0.054 0.000 0.930 254 N CA 0.860 53.897 53.050 -0.023 0.000 0.966 254 N CB -1.664 36.808 38.487 -0.025 0.000 1.090 254 N HN 0.229 nan 8.380 nan 0.000 0.592 255 S N 0.455 116.117 115.700 -0.063 0.000 2.563 255 S HA 0.185 4.655 4.470 -0.001 0.000 0.294 255 S C 0.564 175.037 174.600 -0.212 0.000 1.279 255 S CA -0.105 57.980 58.200 -0.191 0.000 1.069 255 S CB 1.519 64.605 63.200 -0.191 0.000 0.828 255 S HN 0.139 nan 8.310 nan 0.000 0.497 256 V N 4.860 124.578 119.914 -0.326 0.000 2.384 256 V HA 0.375 4.494 4.120 -0.001 0.000 0.287 256 V C -1.023 174.854 176.094 -0.362 0.000 1.020 256 V CA -0.694 61.474 62.300 -0.220 0.000 0.850 256 V CB 0.496 32.248 31.823 -0.119 0.000 0.987 256 V HN 0.758 nan 8.190 nan 0.000 0.436 257 Y N 1.667 121.948 120.300 -0.030 0.000 2.387 257 Y HA 0.584 5.134 4.550 -0.001 0.000 0.336 257 Y C 0.749 176.633 175.900 -0.027 0.000 1.067 257 Y CA -0.576 57.508 58.100 -0.028 0.000 1.114 257 Y CB 1.861 40.303 38.460 -0.030 0.000 1.208 257 Y HN 0.502 nan 8.280 nan 0.000 0.458 258 S N 1.497 117.265 115.700 0.115 0.000 2.541 258 S HA 0.884 5.354 4.470 -0.001 0.000 0.283 258 S C -0.493 174.136 174.600 0.048 0.000 1.196 258 S CA -0.522 57.710 58.200 0.054 0.000 1.062 258 S CB 0.978 64.187 63.200 0.015 0.000 1.009 258 S HN 0.799 nan 8.310 nan 0.000 0.502 259 A N 1.820 124.649 122.820 0.015 0.000 2.593 259 A HA 0.579 4.899 4.320 -0.001 0.000 0.290 259 A C 0.084 177.615 177.584 -0.089 0.000 1.126 259 A CA -0.630 51.397 52.037 -0.017 0.000 0.695 259 A CB 0.652 19.655 19.000 0.007 0.000 1.290 259 A HN 0.674 nan 8.150 nan 0.000 0.414 260 D N -0.863 119.430 120.400 -0.180 0.000 2.149 260 D HA 0.056 4.695 4.640 -0.001 0.000 0.201 260 D C -0.619 175.292 176.300 -0.647 0.000 0.972 260 D CA 2.082 55.790 54.000 -0.487 0.000 0.835 260 D CB 0.089 40.492 40.800 -0.663 0.000 0.966 260 D HN 0.505 nan 8.370 nan 0.000 0.476 261 Y N -0.938 119.381 120.300 0.032 0.000 2.513 261 Y HA 0.363 4.912 4.550 -0.001 0.000 0.340 261 Y C -0.651 175.260 175.900 0.018 0.000 1.055 261 Y CA -1.030 57.100 58.100 0.050 0.000 1.020 261 Y CB 2.411 40.885 38.460 0.023 0.000 1.301 261 Y HN -0.374 nan 8.280 nan 0.000 0.453 262 V N 4.653 124.682 119.914 0.191 0.000 2.495 262 V HA 0.596 4.715 4.120 -0.001 0.000 0.298 262 V C -1.058 175.052 176.094 0.027 0.000 1.031 262 V CA -0.697 61.642 62.300 0.064 0.000 0.871 262 V CB 1.570 33.402 31.823 0.015 0.000 0.988 262 V HN 0.776 nan 8.190 nan 0.000 0.432 263 M N 7.660 127.247 119.600 -0.021 0.000 2.101 263 M HA 0.566 5.046 4.480 -0.001 0.000 0.340 263 M C -1.299 174.963 176.300 -0.063 0.000 1.057 263 M CA 0.017 55.284 55.300 -0.056 0.000 0.984 263 M CB 1.328 33.885 32.600 -0.073 0.000 1.560 263 M HN 0.385 nan 8.290 nan 0.000 0.435 264 V N 4.926 124.792 119.914 -0.079 0.000 2.328 264 V HA 0.384 4.504 4.120 -0.001 0.000 0.278 264 V C 0.507 176.660 176.094 0.097 0.000 1.021 264 V CA -0.012 62.297 62.300 0.014 0.000 0.838 264 V CB 0.907 32.772 31.823 0.068 0.000 0.999 264 V HN 1.020 nan 8.190 nan 0.000 0.447 265 S N 3.477 119.216 115.700 0.064 0.000 2.539 265 S HA 0.334 4.803 4.470 -0.001 0.000 0.221 265 S C 0.905 175.585 174.600 0.133 0.000 0.987 265 S CA 0.304 58.551 58.200 0.077 0.000 0.929 265 S CB 0.350 63.561 63.200 0.019 0.000 0.832 265 S HN 0.923 nan 8.310 nan 0.000 0.492 266 A N 2.704 125.593 122.820 0.115 0.000 2.520 266 A HA 0.513 4.833 4.320 -0.001 0.000 0.235 266 A C 0.865 178.538 177.584 0.147 0.000 1.065 266 A CA 0.201 52.289 52.037 0.084 0.000 0.764 266 A CB -0.231 18.785 19.000 0.027 0.000 1.002 266 A HN 1.028 nan 8.150 nan 0.000 0.502 267 S N 1.692 117.451 115.700 0.098 0.000 2.560 267 S HA 0.046 4.516 4.470 -0.001 0.000 0.276 267 S C 1.077 175.514 174.600 -0.272 0.000 1.350 267 S CA 0.275 58.493 58.200 0.030 0.000 1.024 267 S CB 0.175 63.445 63.200 0.117 0.000 0.864 267 S HN 1.476 nan 8.310 nan 0.000 0.536 268 L N 3.157 123.999 121.223 -0.634 0.000 2.127 268 L HA 0.094 4.433 4.340 -0.001 0.000 0.211 268 L C 2.273 178.992 176.870 -0.252 0.000 1.089 268 L CA 2.457 56.935 54.840 -0.603 0.000 0.757 268 L CB -1.377 40.392 42.059 -0.483 0.000 0.899 268 L HN 0.971 nan 8.230 nan 0.000 0.434 269 G N -0.954 107.784 108.800 -0.103 0.000 2.459 269 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.217 269 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.217 269 G C 1.518 176.409 174.900 -0.014 0.000 1.183 269 G CA 1.085 46.184 45.100 -0.001 0.000 0.776 269 G HN 0.316 nan 8.290 nan 0.000 0.552 270 V N 1.022 120.928 119.914 -0.013 0.000 2.287 270 V HA -0.154 3.966 4.120 -0.001 0.000 0.248 270 V C 2.946 179.028 176.094 -0.021 0.000 1.053 270 V CA 1.555 63.853 62.300 -0.003 0.000 1.027 270 V CB -0.463 31.364 31.823 0.006 0.000 0.646 270 V HN 0.350 nan 8.190 nan 0.000 0.447 271 L N -0.712 120.464 121.223 -0.078 0.000 2.079 271 L HA -0.290 4.050 4.340 -0.001 0.000 0.210 271 L C 2.637 179.391 176.870 -0.192 0.000 1.081 271 L CA 1.770 56.543 54.840 -0.111 0.000 0.752 271 L CB -0.538 41.379 42.059 -0.237 0.000 0.896 271 L HN 0.414 nan 8.230 nan 0.000 0.433 272 Q N -0.465 119.196 119.800 -0.232 0.000 2.172 272 Q HA -0.085 4.254 4.340 -0.001 0.000 0.200 272 Q C 1.488 177.538 176.000 0.083 0.000 0.964 272 Q CA 0.993 56.633 55.803 -0.272 0.000 0.855 272 Q CB 0.090 28.734 28.738 -0.158 0.000 0.918 272 Q HN 0.599 nan 8.270 nan 0.000 0.444 273 S N 0.005 115.742 115.700 0.061 0.000 2.625 273 S HA 0.003 4.473 4.470 -0.001 0.000 0.258 273 S C 0.542 175.201 174.600 0.097 0.000 1.256 273 S CA -0.337 57.914 58.200 0.085 0.000 0.983 273 S CB 0.429 63.650 63.200 0.034 0.000 1.032 273 S HN 0.031 nan 8.310 nan 0.000 0.572 274 D N -0.524 119.917 120.400 0.067 0.000 2.369 274 D HA 0.172 4.811 4.640 -0.001 0.000 0.211 274 D C 1.496 177.819 176.300 0.037 0.000 1.077 274 D CA -0.090 53.947 54.000 0.062 0.000 0.842 274 D CB -0.142 40.684 40.800 0.044 0.000 0.947 274 D HN 0.377 nan 8.370 nan 0.000 0.509 275 L N 0.635 121.876 121.223 0.030 0.000 1.990 275 L HA -0.079 4.260 4.340 -0.001 0.000 0.213 275 L C 0.597 177.461 176.870 -0.009 0.000 1.072 275 L CA 1.574 56.426 54.840 0.021 0.000 0.755 275 L CB -0.054 42.032 42.059 0.044 0.000 0.889 275 L HN -0.091 nan 8.230 nan 0.000 0.432 276 I N 0.476 121.028 120.570 -0.029 0.000 2.312 276 I HA 0.179 4.348 4.170 -0.001 0.000 0.290 276 I C -0.012 176.007 176.117 -0.162 0.000 1.008 276 I CA -0.187 61.027 61.300 -0.144 0.000 1.226 276 I CB 0.998 38.868 38.000 -0.215 0.000 1.371 276 I HN 0.212 nan 8.210 nan 0.000 0.468 277 Q N 6.371 126.069 119.800 -0.170 0.000 2.256 277 Q HA 0.392 4.731 4.340 -0.001 0.000 0.254 277 Q C -1.549 174.347 176.000 -0.173 0.000 0.916 277 Q CA -0.481 55.277 55.803 -0.074 0.000 0.932 277 Q CB 1.193 29.915 28.738 -0.027 0.000 1.207 277 Q HN 0.441 nan 8.270 nan 0.000 0.426 278 F N 2.966 122.968 119.950 0.086 0.000 2.420 278 F HA 0.405 4.932 4.527 -0.001 0.000 0.342 278 F C 0.482 176.366 175.800 0.140 0.000 1.113 278 F CA -0.515 57.582 58.000 0.161 0.000 1.059 278 F CB 1.283 40.403 39.000 0.199 0.000 1.128 278 F HN 0.165 nan 8.300 nan 0.000 0.475 279 K N 5.501 126.059 120.400 0.264 0.000 2.483 279 K HA 0.347 4.667 4.320 -0.001 0.000 0.256 279 K C -2.706 173.729 176.600 -0.275 0.000 0.961 279 K CA -1.904 54.400 56.287 0.029 0.000 0.873 279 K CB 2.129 34.620 32.500 -0.014 0.000 1.107 279 K HN 0.230 nan 8.250 nan 0.000 0.432 280 P HA -0.016 nan 4.420 nan 0.000 0.271 280 P C -0.549 176.829 177.300 0.129 0.000 1.233 280 P CA -0.154 62.874 63.100 -0.121 0.000 0.789 280 P CB 0.662 32.267 31.700 -0.158 0.000 0.951 281 K N 1.064 121.534 120.400 0.116 0.000 2.550 281 K HA 0.019 4.339 4.320 -0.001 0.000 0.280 281 K C 0.437 177.106 176.600 0.115 0.000 0.987 281 K CA 0.049 56.417 56.287 0.135 0.000 1.048 281 K CB -0.353 32.187 32.500 0.066 0.000 0.879 281 K HN 0.373 nan 8.250 nan 0.000 0.491 282 L N 4.718 125.953 121.223 0.020 0.000 2.506 282 L HA 0.022 4.361 4.340 -0.001 0.000 0.281 282 L C -1.507 175.228 176.870 -0.225 0.000 1.228 282 L CA -1.561 53.165 54.840 -0.190 0.000 0.850 282 L CB -0.389 41.402 42.059 -0.446 0.000 1.110 282 L HN 0.480 nan 8.230 nan 0.000 0.496 283 P HA -0.050 nan 4.420 nan 0.000 0.269 283 P C 0.532 177.586 177.300 -0.410 0.000 1.205 283 P CA -0.031 62.853 63.100 -0.359 0.000 0.780 283 P CB 0.456 31.807 31.700 -0.581 0.000 0.858 284 T N 0.793 115.245 114.554 -0.170 0.000 2.708 284 T HA -0.131 4.218 4.350 -0.001 0.000 0.266 284 T C 1.622 176.272 174.700 -0.084 0.000 1.037 284 T CA 1.630 63.682 62.100 -0.080 0.000 1.146 284 T CB -0.600 68.284 68.868 0.025 0.000 0.865 284 T HN 0.627 nan 8.240 nan 0.000 0.435 285 W N 2.813 124.107 121.300 -0.011 0.000 2.304 285 W HA -0.257 4.402 4.660 -0.001 0.000 0.315 285 W C 1.975 178.448 176.519 -0.077 0.000 1.233 285 W CA 1.690 59.020 57.345 -0.026 0.000 1.261 285 W CB -1.105 28.344 29.460 -0.018 0.000 1.150 285 W HN 0.186 nan 8.180 nan 0.000 0.494 286 K N 1.447 121.271 120.400 -0.959 0.000 2.057 286 K HA -0.115 4.205 4.320 -0.001 0.000 0.206 286 K C 1.975 178.283 176.600 -0.486 0.000 1.050 286 K CA 2.430 58.155 56.287 -0.938 0.000 0.935 286 K CB -0.815 30.816 32.500 -1.448 0.000 0.715 286 K HN 0.082 nan 8.250 nan 0.000 0.439 287 V N 1.760 121.453 119.914 -0.368 0.000 2.343 287 V HA -0.225 3.895 4.120 -0.001 0.000 0.247 287 V C 2.496 178.590 176.094 0.000 0.000 1.051 287 V CA 1.870 64.083 62.300 -0.145 0.000 1.036 287 V CB -0.534 31.264 31.823 -0.040 0.000 0.654 287 V HN 0.317 nan 8.190 nan 0.000 0.451 288 R N 0.325 120.824 120.500 -0.001 0.000 2.073 288 R HA -0.086 4.254 4.340 -0.001 0.000 0.234 288 R C 2.452 178.779 176.300 0.044 0.000 1.134 288 R CA 1.599 57.739 56.100 0.066 0.000 0.952 288 R CB -1.099 29.248 30.300 0.080 0.000 0.850 288 R HN 0.532 nan 8.270 nan 0.000 0.433 289 A N 1.410 124.220 122.820 -0.016 0.000 1.883 289 A HA -0.161 4.159 4.320 -0.001 0.000 0.217 289 A C 2.344 179.856 177.584 -0.121 0.000 1.186 289 A CA 1.368 53.371 52.037 -0.056 0.000 0.624 289 A CB -0.589 18.348 19.000 -0.106 0.000 0.822 289 A HN 0.190 nan 8.150 nan 0.000 0.444 290 I N -2.094 118.335 120.570 -0.236 0.000 2.118 290 I HA -0.316 3.854 4.170 -0.001 0.000 0.241 290 I C 2.280 178.211 176.117 -0.309 0.000 1.070 290 I CA 1.770 62.848 61.300 -0.370 0.000 1.327 290 I CB -0.406 37.263 38.000 -0.551 0.000 1.034 290 I HN 0.436 nan 8.210 nan 0.000 0.405 291 Y N -0.019 120.249 120.300 -0.053 0.000 2.561 291 Y HA -0.073 4.477 4.550 -0.001 0.000 0.291 291 Y C 2.505 178.412 175.900 0.012 0.000 1.141 291 Y CA 0.549 58.639 58.100 -0.016 0.000 1.303 291 Y CB -0.092 38.356 38.460 -0.019 0.000 1.015 291 Y HN 0.216 nan 8.280 nan 0.000 0.547 292 Q N -1.000 118.882 119.800 0.136 0.000 2.302 292 Q HA -0.028 4.312 4.340 -0.001 0.000 0.202 292 Q C 0.179 176.230 176.000 0.085 0.000 0.936 292 Q CA 0.221 56.088 55.803 0.107 0.000 0.886 292 Q CB 0.150 28.948 28.738 0.100 0.000 0.986 292 Q HN 0.283 nan 8.270 nan 0.000 0.487 293 F N 1.408 121.312 119.950 -0.077 0.000 2.403 293 F HA 0.035 4.562 4.527 -0.001 0.000 0.320 293 F C 0.182 175.944 175.800 -0.063 0.000 1.176 293 F CA -0.055 57.882 58.000 -0.106 0.000 1.206 293 F CB 0.754 39.665 39.000 -0.147 0.000 1.235 293 F HN -0.143 nan 8.300 nan 0.000 0.565 294 D N 2.539 122.829 120.400 -0.183 0.000 2.192 294 D HA 0.276 4.916 4.640 -0.001 0.000 0.246 294 D C -0.861 175.465 176.300 0.043 0.000 1.042 294 D CA -0.272 53.681 54.000 -0.079 0.000 0.847 294 D CB 1.723 42.422 40.800 -0.168 0.000 1.186 294 D HN 0.338 nan 8.370 nan 0.000 0.461 295 M N 2.819 122.446 119.600 0.046 0.000 2.208 295 M HA 0.514 4.994 4.480 -0.001 0.000 0.352 295 M C -0.780 175.519 176.300 -0.001 0.000 1.137 295 M CA -0.426 54.904 55.300 0.050 0.000 1.091 295 M CB 0.562 33.198 32.600 0.061 0.000 1.309 295 M HN 0.343 nan 8.290 nan 0.000 0.408 296 A N 3.567 126.348 122.820 -0.065 0.000 2.406 296 A HA 0.621 4.941 4.320 -0.001 0.000 0.243 296 A C -0.553 176.872 177.584 -0.265 0.000 1.082 296 A CA -0.563 51.380 52.037 -0.156 0.000 0.786 296 A CB 0.300 19.214 19.000 -0.143 0.000 1.029 296 A HN 0.717 nan 8.150 nan 0.000 0.495 297 V N 0.279 120.072 119.914 -0.202 0.000 2.513 297 V HA 0.522 4.641 4.120 -0.001 0.000 0.299 297 V C -0.810 175.218 176.094 -0.109 0.000 1.035 297 V CA -0.469 61.745 62.300 -0.144 0.000 0.889 297 V CB 1.115 32.896 31.823 -0.070 0.000 0.988 297 V HN 0.778 nan 8.190 nan 0.000 0.440 298 Y N 1.904 122.063 120.300 -0.236 0.000 2.344 298 Y HA 0.555 5.104 4.550 -0.001 0.000 0.328 298 Y C -0.169 175.748 175.900 0.029 0.000 1.067 298 Y CA -0.168 57.861 58.100 -0.119 0.000 1.247 298 Y CB 1.692 40.047 38.460 -0.176 0.000 1.113 298 Y HN 0.719 nan 8.280 nan 0.000 0.465 299 T N 7.564 122.041 114.554 -0.128 0.000 2.749 299 T HA 0.366 4.715 4.350 -0.001 0.000 0.287 299 T C -0.092 174.529 174.700 -0.131 0.000 0.970 299 T CA -0.449 61.641 62.100 -0.016 0.000 0.980 299 T CB 0.604 69.464 68.868 -0.012 0.000 0.924 299 T HN 0.640 nan 8.240 nan 0.000 0.456 300 M N 4.470 124.083 119.600 0.021 0.000 2.495 300 M HA 0.372 4.852 4.480 -0.001 0.000 0.346 300 M C -0.309 175.881 176.300 -0.184 0.000 1.251 300 M CA -0.304 54.944 55.300 -0.088 0.000 1.249 300 M CB -0.127 32.530 32.600 0.095 0.000 1.229 300 M HN 0.466 nan 8.290 nan 0.000 0.450 301 I N 2.770 123.199 120.570 -0.236 0.000 2.517 301 I HA 0.092 4.261 4.170 -0.001 0.000 0.285 301 I C -0.463 175.462 176.117 -0.320 0.000 1.106 301 I CA 0.343 61.531 61.300 -0.187 0.000 1.402 301 I CB 0.100 38.029 38.000 -0.119 0.000 1.399 301 I HN 0.408 nan 8.210 nan 0.000 0.535 302 F N 6.671 126.507 119.950 -0.190 0.000 2.458 302 F HA 0.629 5.156 4.527 -0.001 0.000 0.330 302 F C -0.027 175.631 175.800 -0.237 0.000 1.082 302 F CA -0.585 57.229 58.000 -0.310 0.000 0.995 302 F CB 1.478 39.984 39.000 -0.824 0.000 1.170 302 F HN 0.200 nan 8.300 nan 0.000 0.478 303 L N 3.095 124.452 121.223 0.223 0.000 2.436 303 L HA 0.455 4.795 4.340 -0.001 0.000 0.268 303 L C -0.912 176.046 176.870 0.146 0.000 0.974 303 L CA -1.049 53.884 54.840 0.155 0.000 0.826 303 L CB 2.175 44.278 42.059 0.072 0.000 1.291 303 L HN 0.354 nan 8.230 nan 0.000 0.406 304 K N 2.425 122.808 120.400 -0.029 0.000 2.185 304 K HA 0.671 4.990 4.320 -0.001 0.000 0.269 304 K C -1.593 174.761 176.600 -0.410 0.000 0.987 304 K CA -0.025 56.191 56.287 -0.118 0.000 0.865 304 K CB 0.748 33.158 32.500 -0.150 0.000 1.090 304 K HN 0.259 nan 8.250 nan 0.000 0.450 305 F N 5.343 125.444 119.950 0.252 0.000 2.540 305 F HA 0.345 4.871 4.527 -0.001 0.000 0.317 305 F C -1.413 174.485 175.800 0.164 0.000 1.104 305 F CA -2.079 56.078 58.000 0.262 0.000 0.913 305 F CB 2.115 41.358 39.000 0.405 0.000 1.170 305 F HN 0.541 nan 8.300 nan 0.000 0.450 306 P HA -0.119 nan 4.420 nan 0.000 0.214 306 P C -0.543 176.839 177.300 0.137 0.000 1.163 306 P CA 1.753 64.964 63.100 0.185 0.000 0.889 306 P CB 0.189 31.989 31.700 0.167 0.000 0.790 307 R N -1.203 119.380 120.500 0.139 0.000 2.912 307 R HA 0.533 4.873 4.340 -0.001 0.000 0.262 307 R C -0.157 176.030 176.300 -0.187 0.000 1.057 307 R CA -1.213 54.878 56.100 -0.014 0.000 0.981 307 R CB 0.965 31.239 30.300 -0.043 0.000 1.201 307 R HN -0.144 nan 8.270 nan 0.000 0.484 308 K N 0.477 120.553 120.400 -0.541 0.000 2.154 308 K HA 0.211 4.531 4.320 -0.001 0.000 0.264 308 K C -0.631 175.312 176.600 -1.095 0.000 1.008 308 K CA -0.525 54.893 56.287 -1.449 0.000 0.937 308 K CB 0.496 32.057 32.500 -1.565 0.000 1.002 308 K HN 0.759 nan 8.250 nan 0.000 0.469 309 F N -1.405 117.834 119.950 -1.185 0.000 2.899 309 F HA 0.377 4.903 4.527 -0.001 0.000 0.337 309 F C -1.085 174.214 175.800 -0.834 0.000 1.129 309 F CA -1.380 56.167 58.000 -0.755 0.000 1.128 309 F CB -0.372 38.291 39.000 -0.562 0.000 1.154 309 F HN 0.509 nan 8.300 nan 0.000 0.531 310 W N 1.760 122.569 121.300 -0.819 0.000 2.606 310 W HA 0.852 5.511 4.660 -0.001 0.000 0.332 310 W C -2.780 173.468 176.519 -0.452 0.000 1.052 310 W CA -3.259 53.592 57.345 -0.822 0.000 1.223 310 W CB -0.120 28.810 29.460 -0.883 0.000 1.383 310 W HN -0.274 nan 8.180 nan 0.000 0.524 311 P HA 0.034 nan 4.420 nan 0.000 0.264 311 P C -0.621 176.655 177.300 -0.040 0.000 1.193 311 P CA 0.482 63.534 63.100 -0.079 0.000 0.763 311 P CB 1.150 32.844 31.700 -0.011 0.000 0.810 312 E N 0.561 120.711 120.200 -0.083 0.000 2.299 312 E HA 0.711 5.061 4.350 -0.001 0.000 0.260 312 E C 0.163 176.714 176.600 -0.081 0.000 0.944 312 E CA -0.763 55.603 56.400 -0.056 0.000 0.815 312 E CB 1.654 31.314 29.700 -0.066 0.000 1.252 312 E HN 0.712 nan 8.360 nan 0.000 0.418 313 G N 0.900 109.646 108.800 -0.090 0.000 2.373 313 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.634 313 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.634 313 G C -1.024 173.789 174.900 -0.145 0.000 1.267 313 G CA -0.799 44.237 45.100 -0.107 0.000 1.008 313 G HN 0.471 nan 8.290 nan 0.000 0.497 314 K N 0.611 120.902 120.400 -0.183 0.000 2.511 314 K HA 0.374 4.693 4.320 -0.001 0.000 0.280 314 K C 1.507 177.843 176.600 -0.440 0.000 1.008 314 K CA 1.549 57.653 56.287 -0.304 0.000 1.050 314 K CB -0.264 32.038 32.500 -0.330 0.000 0.889 314 K HN 2.468 nan 8.250 nan 0.000 0.484 315 G N 3.934 112.437 108.800 -0.495 0.000 2.168 315 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.263 315 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.263 315 G C 0.518 175.390 174.900 -0.047 0.000 0.977 315 G CA 0.267 45.158 45.100 -0.350 0.000 0.659 315 G HN 0.672 nan 8.290 nan 0.000 0.533 316 R N 0.062 120.515 120.500 -0.079 0.000 2.362 316 R HA 0.256 4.595 4.340 -0.001 0.000 0.227 316 R C 1.765 178.071 176.300 0.011 0.000 0.905 316 R CA 0.665 56.758 56.100 -0.010 0.000 1.067 316 R CB -0.092 30.182 30.300 -0.044 0.000 1.078 316 R HN 0.723 nan 8.270 nan 0.000 0.516 317 E N 0.070 120.189 120.200 -0.134 0.000 2.046 317 E HA -0.019 4.331 4.350 -0.001 0.000 0.190 317 E C -0.553 175.794 176.600 -0.422 0.000 0.982 317 E CA 0.704 56.848 56.400 -0.426 0.000 0.800 317 E CB 0.206 29.410 29.700 -0.827 0.000 0.756 317 E HN 0.092 nan 8.360 nan 0.000 0.449 318 F N 1.299 121.343 119.950 0.157 0.000 2.385 318 F HA 0.329 4.856 4.527 -0.001 0.000 0.360 318 F C -0.450 175.557 175.800 0.346 0.000 1.122 318 F CA -1.227 56.882 58.000 0.182 0.000 1.090 318 F CB 0.885 39.982 39.000 0.163 0.000 1.150 318 F HN -0.064 nan 8.300 nan 0.000 0.472 319 F N 1.675 121.806 119.950 0.302 0.000 2.577 319 F HA 0.877 5.404 4.527 -0.001 0.000 0.318 319 F C -1.676 174.325 175.800 0.336 0.000 1.065 319 F CA -1.465 56.723 58.000 0.313 0.000 0.929 319 F CB 1.311 40.517 39.000 0.343 0.000 1.237 319 F HN 0.099 nan 8.300 nan 0.000 0.468 320 L N 2.143 123.633 121.223 0.446 0.000 2.333 320 L HA 0.458 4.798 4.340 -0.001 0.000 0.269 320 L C -1.573 175.605 176.870 0.513 0.000 1.010 320 L CA -1.211 53.838 54.840 0.349 0.000 0.818 320 L CB 2.151 44.319 42.059 0.182 0.000 1.306 320 L HN 0.714 nan 8.230 nan 0.000 0.430 321 Y N 1.463 121.954 120.300 0.318 0.000 2.388 321 Y HA 0.545 5.095 4.550 -0.001 0.000 0.328 321 Y C 0.095 176.143 175.900 0.246 0.000 0.963 321 Y CA -1.183 57.102 58.100 0.308 0.000 1.240 321 Y CB 1.514 40.189 38.460 0.359 0.000 1.118 321 Y HN 0.586 nan 8.280 nan 0.000 0.484 322 A N 4.940 127.684 122.820 -0.126 0.000 3.063 322 A HA 0.307 4.627 4.320 -0.001 0.000 0.263 322 A C 0.561 177.977 177.584 -0.279 0.000 1.736 322 A CA 0.101 52.076 52.037 -0.104 0.000 1.408 322 A CB -1.026 18.014 19.000 0.067 0.000 1.108 322 A HN 0.671 nan 8.150 nan 0.000 0.621 323 S N 0.873 116.356 115.700 -0.360 0.000 2.572 323 S HA 0.146 4.615 4.470 -0.001 0.000 0.279 323 S C 1.597 176.143 174.600 -0.089 0.000 1.341 323 S CA 0.223 58.272 58.200 -0.251 0.000 1.043 323 S CB 0.691 63.931 63.200 0.068 0.000 0.887 323 S HN 1.278 nan 8.310 nan 0.000 0.516 324 S N 3.261 118.916 115.700 -0.075 0.000 2.507 324 S HA -0.042 4.428 4.470 -0.001 0.000 0.235 324 S C 0.814 175.396 174.600 -0.031 0.000 0.988 324 S CA 0.234 58.411 58.200 -0.039 0.000 0.944 324 S CB -0.287 62.892 63.200 -0.035 0.000 0.762 324 S HN 0.787 nan 8.310 nan 0.000 0.526 325 R N 1.481 121.956 120.500 -0.042 0.000 2.272 325 R HA 0.353 4.693 4.340 -0.001 0.000 0.323 325 R C -0.279 176.057 176.300 0.059 0.000 1.002 325 R CA -0.756 55.334 56.100 -0.018 0.000 0.900 325 R CB 0.503 30.733 30.300 -0.117 0.000 1.151 325 R HN 0.300 nan 8.270 nan 0.000 0.507 326 R N 2.851 123.386 120.500 0.059 0.000 2.481 326 R HA -0.062 4.277 4.340 -0.001 0.000 0.291 326 R C 0.169 176.520 176.300 0.084 0.000 0.934 326 R CA 1.871 58.019 56.100 0.079 0.000 1.116 326 R CB 0.076 30.439 30.300 0.106 0.000 0.895 326 R HN 0.952 nan 8.270 nan 0.000 0.410 327 G N 4.122 112.889 108.800 -0.056 0.000 2.370 327 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.295 327 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.295 327 G C -0.831 174.021 174.900 -0.081 0.000 1.045 327 G CA 0.431 45.370 45.100 -0.269 0.000 1.199 327 G HN 0.750 nan 8.290 nan 0.000 0.513 328 Y N 0.862 121.074 120.300 -0.147 0.000 2.592 328 Y HA 0.443 4.993 4.550 -0.001 0.000 0.354 328 Y C 0.544 176.602 175.900 0.264 0.000 1.063 328 Y CA -1.500 56.631 58.100 0.050 0.000 1.205 328 Y CB 0.160 38.728 38.460 0.180 0.000 1.106 328 Y HN 0.584 nan 8.280 nan 0.000 0.649 329 Y N 1.574 121.736 120.300 -0.229 0.000 3.057 329 Y HA -0.260 4.289 4.550 -0.001 0.000 0.192 329 Y C 1.278 177.301 175.900 0.204 0.000 1.448 329 Y CA 0.905 58.888 58.100 -0.195 0.000 1.065 329 Y CB -1.215 37.129 38.460 -0.193 0.000 1.369 329 Y HN 0.721 nan 8.280 nan 0.000 0.460 330 G N -0.985 107.869 108.800 0.089 0.000 2.724 330 G HA2 0.277 4.236 3.960 -0.001 0.000 0.205 330 G HA3 0.277 4.236 3.960 -0.001 0.000 0.205 330 G C 0.128 175.113 174.900 0.143 0.000 1.112 330 G CA 0.414 45.662 45.100 0.246 0.000 0.793 330 G HN 0.187 nan 8.290 nan 0.000 0.526 331 V N 1.322 121.118 119.914 -0.196 0.000 2.432 331 V HA 0.474 4.594 4.120 -0.001 0.000 0.271 331 V C -0.945 174.865 176.094 -0.474 0.000 1.046 331 V CA -0.507 61.639 62.300 -0.257 0.000 0.945 331 V CB 0.331 31.954 31.823 -0.333 0.000 0.992 331 V HN 0.287 nan 8.190 nan 0.000 0.471 332 W N 2.990 124.018 121.300 -0.453 0.000 2.915 332 W HA 0.660 5.319 4.660 -0.001 0.000 0.337 332 W C -0.199 175.905 176.519 -0.692 0.000 1.102 332 W CA -0.553 56.345 57.345 -0.746 0.000 1.224 332 W CB 1.705 30.256 29.460 -1.514 0.000 1.416 332 W HN 0.392 nan 8.180 nan 0.000 0.503 333 Q N 2.279 121.901 119.800 -0.296 0.000 2.337 333 Q HA 0.406 4.745 4.340 -0.001 0.000 0.270 333 Q C -0.876 174.722 176.000 -0.671 0.000 1.043 333 Q CA -0.707 54.855 55.803 -0.402 0.000 0.794 333 Q CB 2.070 30.635 28.738 -0.288 0.000 1.281 333 Q HN 0.536 nan 8.270 nan 0.000 0.446 334 E N 2.135 121.989 120.200 -0.577 0.000 2.221 334 E HA 0.353 4.702 4.350 -0.001 0.000 0.268 334 E C -1.218 175.017 176.600 -0.608 0.000 0.933 334 E CA -0.576 55.460 56.400 -0.607 0.000 0.809 334 E CB 0.890 30.409 29.700 -0.301 0.000 1.190 334 E HN 0.533 nan 8.360 nan 0.000 0.406 335 F N 1.245 121.201 119.950 0.009 0.000 2.928 335 F HA 0.191 4.718 4.527 -0.001 0.000 0.337 335 F C 1.123 176.905 175.800 -0.030 0.000 1.259 335 F CA -0.462 57.524 58.000 -0.024 0.000 1.267 335 F CB 0.394 39.545 39.000 0.253 0.000 0.986 335 F HN 0.672 nan 8.300 nan 0.000 0.507 336 E N 0.450 120.687 120.200 0.062 0.000 2.058 336 E HA -0.226 4.124 4.350 -0.001 0.000 0.194 336 E C 1.620 178.169 176.600 -0.086 0.000 0.997 336 E CA 1.282 57.695 56.400 0.021 0.000 0.801 336 E CB -0.170 29.520 29.700 -0.017 0.000 0.746 336 E HN 0.396 nan 8.360 nan 0.000 0.450 337 K N 0.477 120.732 120.400 -0.242 0.000 1.984 337 K HA -0.141 4.179 4.320 -0.001 0.000 0.209 337 K C 2.367 178.666 176.600 -0.503 0.000 1.046 337 K CA 1.745 57.746 56.287 -0.475 0.000 0.934 337 K CB -0.188 31.800 32.500 -0.853 0.000 0.717 337 K HN 0.071 nan 8.250 nan 0.000 0.438 338 Q N -0.193 119.299 119.800 -0.514 0.000 2.002 338 Q HA -0.130 4.209 4.340 -0.001 0.000 0.204 338 Q C 0.270 175.900 176.000 -0.617 0.000 0.988 338 Q CA 1.651 57.109 55.803 -0.575 0.000 0.843 338 Q CB -0.052 28.205 28.738 -0.801 0.000 0.908 338 Q HN 0.389 nan 8.270 nan 0.000 0.420 339 Y N -0.078 120.277 120.300 0.090 0.000 2.562 339 Y HA 0.368 4.918 4.550 -0.001 0.000 0.363 339 Y C -2.283 173.682 175.900 0.108 0.000 0.991 339 Y CA -2.524 55.632 58.100 0.092 0.000 1.121 339 Y CB 0.752 39.257 38.460 0.075 0.000 1.159 339 Y HN 0.048 nan 8.280 nan 0.000 0.651 340 P HA 0.238 nan 4.420 nan 0.000 0.296 340 P C -1.026 176.335 177.300 0.101 0.000 1.306 340 P CA -0.452 62.714 63.100 0.111 0.000 0.818 340 P CB 2.036 33.759 31.700 0.039 0.000 0.969 341 D N 2.722 123.178 120.400 0.092 0.000 2.473 341 D HA 0.393 5.033 4.640 -0.001 0.000 0.226 341 D C 1.004 177.384 176.300 0.133 0.000 1.089 341 D CA -0.459 53.602 54.000 0.102 0.000 0.883 341 D CB 0.978 41.808 40.800 0.050 0.000 1.029 341 D HN 0.284 nan 8.370 nan 0.000 0.517 342 A N 2.574 125.517 122.820 0.206 0.000 2.063 342 A HA 0.070 4.390 4.320 -0.001 0.000 0.211 342 A C 0.713 178.439 177.584 0.236 0.000 1.177 342 A CA -0.077 52.081 52.037 0.200 0.000 0.759 342 A CB -0.097 19.041 19.000 0.231 0.000 0.857 342 A HN 0.445 nan 8.150 nan 0.000 0.468 343 N N -1.224 117.679 118.700 0.339 0.000 2.783 343 N HA -0.117 4.622 4.740 -0.001 0.000 0.247 343 N C -0.876 174.977 175.510 0.571 0.000 1.089 343 N CA 1.008 54.347 53.050 0.481 0.000 0.690 343 N CB -1.710 36.970 38.487 0.323 0.000 0.991 343 N HN 0.240 nan 8.380 nan 0.000 0.552 344 V N 0.733 120.963 119.914 0.528 0.000 2.604 344 V HA 0.570 4.689 4.120 -0.001 0.000 0.305 344 V C 0.612 176.926 176.094 0.367 0.000 1.043 344 V CA -0.753 61.840 62.300 0.489 0.000 0.888 344 V CB 2.389 34.532 31.823 0.533 0.000 0.995 344 V HN 0.124 nan 8.190 nan 0.000 0.429 345 L N 4.194 125.563 121.223 0.244 0.000 2.334 345 L HA 0.629 4.969 4.340 -0.001 0.000 0.270 345 L C -0.900 176.098 176.870 0.214 0.000 1.018 345 L CA -0.833 54.044 54.840 0.063 0.000 0.811 345 L CB 1.830 43.919 42.059 0.051 0.000 1.271 345 L HN 0.429 nan 8.230 nan 0.000 0.443 346 L N 2.599 123.830 121.223 0.014 0.000 2.343 346 L HA 0.578 4.917 4.340 -0.001 0.000 0.278 346 L C -0.927 175.760 176.870 -0.305 0.000 0.996 346 L CA -0.304 54.448 54.840 -0.147 0.000 0.831 346 L CB 1.707 43.748 42.059 -0.030 0.000 1.232 346 L HN 0.298 nan 8.230 nan 0.000 0.413 347 V N 5.063 124.654 119.914 -0.539 0.000 2.483 347 V HA 0.671 4.790 4.120 -0.001 0.000 0.295 347 V C -0.117 175.653 176.094 -0.539 0.000 1.035 347 V CA -0.061 61.708 62.300 -0.883 0.000 0.896 347 V CB 2.084 32.945 31.823 -1.603 0.000 0.986 347 V HN 0.957 nan 8.190 nan 0.000 0.447 348 T N 6.263 120.546 114.554 -0.452 0.000 2.867 348 T HA 0.702 5.052 4.350 -0.001 0.000 0.282 348 T C -0.422 174.055 174.700 -0.372 0.000 1.000 348 T CA -0.336 61.558 62.100 -0.342 0.000 1.042 348 T CB 1.473 70.246 68.868 -0.158 0.000 0.973 348 T HN 0.966 nan 8.240 nan 0.000 0.465 349 V N -0.144 119.559 119.914 -0.351 0.000 3.130 349 V HA 0.989 5.108 4.120 -0.001 0.000 0.310 349 V C -0.220 175.779 176.094 -0.159 0.000 1.158 349 V CA -1.025 61.125 62.300 -0.250 0.000 1.029 349 V CB 1.746 33.342 31.823 -0.377 0.000 1.057 349 V HN 1.045 nan 8.190 nan 0.000 0.436 350 T N -2.152 112.395 114.554 -0.011 0.000 2.742 350 T HA 0.697 5.046 4.350 -0.001 0.000 0.282 350 T C 0.094 174.770 174.700 -0.042 0.000 1.025 350 T CA 0.508 62.598 62.100 -0.017 0.000 1.020 350 T CB 1.644 70.536 68.868 0.039 0.000 1.317 350 T HN 1.546 nan 8.240 nan 0.000 0.538 351 D N 0.225 120.580 120.400 -0.075 0.000 3.574 351 D HA -0.277 4.362 4.640 -0.001 0.000 0.153 351 D C 1.235 177.449 176.300 -0.143 0.000 0.965 351 D CA 2.014 55.954 54.000 -0.101 0.000 1.047 351 D CB -0.993 39.781 40.800 -0.044 0.000 0.492 351 D HN 0.857 nan 8.370 nan 0.000 0.492 352 E N -0.413 119.732 120.200 -0.093 0.000 2.110 352 E HA -0.201 4.148 4.350 -0.001 0.000 0.193 352 E C 1.848 178.389 176.600 -0.098 0.000 0.988 352 E CA 1.205 57.544 56.400 -0.103 0.000 0.804 352 E CB -0.050 29.626 29.700 -0.039 0.000 0.745 352 E HN 0.314 nan 8.360 nan 0.000 0.458 353 E N 0.114 120.276 120.200 -0.064 0.000 2.072 353 E HA -0.110 4.240 4.350 -0.001 0.000 0.191 353 E C 2.204 178.739 176.600 -0.109 0.000 0.985 353 E CA 0.526 56.880 56.400 -0.076 0.000 0.801 353 E CB -0.192 29.444 29.700 -0.106 0.000 0.750 353 E HN 0.067 nan 8.360 nan 0.000 0.452 354 S N 0.712 116.336 115.700 -0.127 0.000 2.359 354 S HA -0.181 4.289 4.470 -0.001 0.000 0.222 354 S C 1.934 176.456 174.600 -0.131 0.000 1.038 354 S CA 1.284 59.416 58.200 -0.112 0.000 1.051 354 S CB -0.143 62.993 63.200 -0.107 0.000 0.944 354 S HN 0.247 nan 8.310 nan 0.000 0.433 355 R N 0.534 120.842 120.500 -0.319 0.000 2.091 355 R HA -0.076 4.264 4.340 -0.001 0.000 0.238 355 R C 2.650 178.861 176.300 -0.148 0.000 1.136 355 R CA 1.346 57.130 56.100 -0.526 0.000 0.959 355 R CB -0.297 29.445 30.300 -0.930 0.000 0.856 355 R HN 0.304 nan 8.270 nan 0.000 0.437 356 R N 0.853 121.301 120.500 -0.087 0.000 2.082 356 R HA -0.133 4.207 4.340 -0.001 0.000 0.234 356 R C 2.263 178.595 176.300 0.054 0.000 1.136 356 R CA 1.677 57.784 56.100 0.011 0.000 0.935 356 R CB -0.301 30.012 30.300 0.021 0.000 0.842 356 R HN 0.156 nan 8.270 nan 0.000 0.430 357 I N 0.775 121.364 120.570 0.032 0.000 2.286 357 I HA -0.243 3.926 4.170 -0.001 0.000 0.248 357 I C 2.238 178.410 176.117 0.091 0.000 1.115 357 I CA 1.382 62.716 61.300 0.057 0.000 1.392 357 I CB -0.195 37.811 38.000 0.011 0.000 1.065 357 I HN 0.295 nan 8.210 nan 0.000 0.418 358 E N 0.200 120.472 120.200 0.122 0.000 2.110 358 E HA -0.266 4.083 4.350 -0.001 0.000 0.193 358 E C 2.123 178.833 176.600 0.182 0.000 0.988 358 E CA 1.030 57.540 56.400 0.184 0.000 0.804 358 E CB -0.049 29.843 29.700 0.321 0.000 0.745 358 E HN 0.568 nan 8.360 nan 0.000 0.458 359 Q N 0.204 120.125 119.800 0.202 0.000 2.378 359 Q HA -0.084 4.256 4.340 -0.001 0.000 0.205 359 Q C 0.778 176.846 176.000 0.114 0.000 0.954 359 Q CA 0.431 56.337 55.803 0.172 0.000 0.901 359 Q CB 0.199 29.057 28.738 0.199 0.000 0.981 359 Q HN 0.272 nan 8.270 nan 0.000 0.483 360 Q N 0.051 119.913 119.800 0.103 0.000 2.215 360 Q HA 0.339 4.679 4.340 -0.001 0.000 0.256 360 Q C -0.437 175.609 176.000 0.077 0.000 0.972 360 Q CA -0.678 55.177 55.803 0.086 0.000 0.889 360 Q CB 1.392 30.182 28.738 0.088 0.000 1.281 360 Q HN -0.024 nan 8.270 nan 0.000 0.456 361 S N 1.600 117.341 115.700 0.067 0.000 2.537 361 S HA -0.028 4.441 4.470 -0.001 0.000 0.286 361 S C 0.127 174.766 174.600 0.065 0.000 1.299 361 S CA 0.121 58.357 58.200 0.060 0.000 1.067 361 S CB 0.577 63.808 63.200 0.052 0.000 0.864 361 S HN 0.778 nan 8.310 nan 0.000 0.494 362 D N 2.369 122.806 120.400 0.062 0.000 2.157 362 D HA -0.134 4.506 4.640 -0.001 0.000 0.191 362 D C 1.840 178.180 176.300 0.067 0.000 1.004 362 D CA 1.802 55.842 54.000 0.067 0.000 0.854 362 D CB -0.043 40.795 40.800 0.064 0.000 0.936 362 D HN 0.682 nan 8.370 nan 0.000 0.446 363 E N 0.085 120.320 120.200 0.059 0.000 2.021 363 E HA -0.204 4.145 4.350 -0.001 0.000 0.200 363 E C 2.031 178.666 176.600 0.058 0.000 1.015 363 E CA 0.942 57.375 56.400 0.056 0.000 0.824 363 E CB -0.601 29.128 29.700 0.048 0.000 0.762 363 E HN 0.184 nan 8.360 nan 0.000 0.454 364 Q N 0.272 120.107 119.800 0.059 0.000 2.152 364 Q HA -0.110 4.229 4.340 -0.001 0.000 0.206 364 Q C 2.108 178.149 176.000 0.067 0.000 0.985 364 Q CA 1.883 57.723 55.803 0.062 0.000 0.863 364 Q CB -0.788 27.989 28.738 0.066 0.000 0.904 364 Q HN 0.285 nan 8.270 nan 0.000 0.422 365 T N 0.019 114.619 114.554 0.077 0.000 2.708 365 T HA -0.140 4.209 4.350 -0.001 0.000 0.266 365 T C 1.687 176.419 174.700 0.054 0.000 1.037 365 T CA 1.568 63.723 62.100 0.090 0.000 1.146 365 T CB -0.173 68.761 68.868 0.110 0.000 0.865 365 T HN 0.331 nan 8.240 nan 0.000 0.435 366 K N 0.898 121.335 120.400 0.062 0.000 2.103 366 K HA -0.070 4.250 4.320 -0.001 0.000 0.207 366 K C 2.469 179.096 176.600 0.046 0.000 1.048 366 K CA 1.088 57.413 56.287 0.064 0.000 0.930 366 K CB -0.346 32.200 32.500 0.076 0.000 0.716 366 K HN 0.270 nan 8.250 nan 0.000 0.444 367 A N 1.753 124.598 122.820 0.041 0.000 1.870 367 A HA -0.299 4.021 4.320 -0.001 0.000 0.219 367 A C 1.891 179.473 177.584 -0.003 0.000 1.224 367 A CA 2.243 54.299 52.037 0.032 0.000 0.650 367 A CB -0.873 18.151 19.000 0.041 0.000 0.836 367 A HN 0.522 nan 8.150 nan 0.000 0.454 368 E N -0.681 119.501 120.200 -0.030 0.000 2.130 368 E HA -0.188 4.162 4.350 -0.001 0.000 0.196 368 E C 1.952 178.376 176.600 -0.294 0.000 0.998 368 E CA 1.333 57.675 56.400 -0.098 0.000 0.806 368 E CB -0.322 29.327 29.700 -0.085 0.000 0.738 368 E HN 0.727 nan 8.360 nan 0.000 0.459 369 I N 0.303 120.671 120.570 -0.338 0.000 2.286 369 I HA -0.232 3.938 4.170 -0.001 0.000 0.245 369 I C 2.306 178.399 176.117 -0.040 0.000 1.104 369 I CA 0.488 61.599 61.300 -0.315 0.000 1.397 369 I CB -0.118 37.826 38.000 -0.094 0.000 1.072 369 I HN 0.171 nan 8.210 nan 0.000 0.417 370 M N 0.205 119.821 119.600 0.025 0.000 2.073 370 M HA -0.290 4.189 4.480 -0.001 0.000 0.258 370 M C 2.310 178.597 176.300 -0.021 0.000 1.070 370 M CA 1.823 57.152 55.300 0.049 0.000 1.103 370 M CB -1.329 31.311 32.600 0.066 0.000 1.321 370 M HN 0.230 nan 8.290 nan 0.000 0.405 371 Q N -0.332 119.452 119.800 -0.025 0.000 2.096 371 Q HA -0.172 4.167 4.340 -0.001 0.000 0.208 371 Q C 1.984 177.954 176.000 -0.050 0.000 0.993 371 Q CA 2.309 58.101 55.803 -0.018 0.000 0.862 371 Q CB -0.059 28.692 28.738 0.022 0.000 0.915 371 Q HN 0.340 nan 8.270 nan 0.000 0.416 372 V N 0.298 120.149 119.914 -0.105 0.000 2.358 372 V HA -0.251 3.868 4.120 -0.001 0.000 0.246 372 V C 2.213 178.099 176.094 -0.348 0.000 1.047 372 V CA 1.589 63.740 62.300 -0.249 0.000 1.035 372 V CB -0.409 31.224 31.823 -0.316 0.000 0.658 372 V HN 0.404 nan 8.190 nan 0.000 0.452 373 L N -0.789 120.298 121.223 -0.226 0.000 2.093 373 L HA -0.153 4.187 4.340 -0.001 0.000 0.208 373 L C 2.720 179.515 176.870 -0.125 0.000 1.085 373 L CA 1.488 56.219 54.840 -0.182 0.000 0.755 373 L CB -0.436 41.581 42.059 -0.070 0.000 0.904 373 L HN 0.202 nan 8.230 nan 0.000 0.435 374 R N -0.126 120.293 120.500 -0.135 0.000 2.120 374 R HA -0.146 4.193 4.340 -0.001 0.000 0.234 374 R C 2.268 178.521 176.300 -0.079 0.000 1.123 374 R CA 1.187 57.219 56.100 -0.112 0.000 0.975 374 R CB -0.055 30.192 30.300 -0.087 0.000 0.866 374 R HN 0.240 nan 8.270 nan 0.000 0.446 375 K N -0.307 120.042 120.400 -0.085 0.000 2.148 375 K HA -0.075 4.244 4.320 -0.001 0.000 0.204 375 K C 1.915 178.467 176.600 -0.081 0.000 1.050 375 K CA 1.279 57.541 56.287 -0.041 0.000 0.942 375 K CB 0.058 32.581 32.500 0.039 0.000 0.724 375 K HN 0.182 nan 8.250 nan 0.000 0.446 376 M N -0.685 118.759 119.600 -0.260 0.000 2.334 376 M HA 0.006 4.486 4.480 -0.001 0.000 0.266 376 M C -0.132 175.737 176.300 -0.718 0.000 1.082 376 M CA 1.057 56.051 55.300 -0.510 0.000 1.141 376 M CB 0.509 32.490 32.600 -1.032 0.000 1.380 376 M HN -0.069 nan 8.290 nan 0.000 0.440 377 F N -0.209 119.712 119.950 -0.049 0.000 2.531 377 F HA 0.322 4.849 4.527 -0.000 0.000 0.333 377 F C -1.796 173.958 175.800 -0.076 0.000 1.292 377 F CA -2.195 55.784 58.000 -0.035 0.000 1.184 377 F CB -0.171 38.789 39.000 -0.067 0.000 1.426 377 F HN -0.087 nan 8.300 nan 0.000 0.559 378 P HA -0.101 nan 4.420 nan 0.000 0.218 378 P C 1.803 179.114 177.300 0.018 0.000 1.149 378 P CA 1.324 64.429 63.100 0.009 0.000 0.817 378 P CB 0.305 32.002 31.700 -0.004 0.000 0.785 379 G N 1.539 110.367 108.800 0.046 0.000 2.587 379 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.217 379 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.217 379 G C 0.943 175.854 174.900 0.018 0.000 1.240 379 G CA 0.743 45.865 45.100 0.037 0.000 0.794 379 G HN 0.219 nan 8.290 nan 0.000 0.580 380 K N 0.823 121.244 120.400 0.036 0.000 2.156 380 K HA 0.145 4.464 4.320 -0.001 0.000 0.242 380 K C -0.851 175.701 176.600 -0.080 0.000 1.033 380 K CA -0.242 56.028 56.287 -0.028 0.000 0.878 380 K CB 0.405 32.879 32.500 -0.043 0.000 1.057 380 K HN 0.273 nan 8.250 nan 0.000 0.505 381 D N 0.634 120.973 120.400 -0.101 0.000 2.472 381 D HA 0.164 4.804 4.640 -0.001 0.000 0.234 381 D C -1.173 175.019 176.300 -0.179 0.000 1.088 381 D CA -0.459 53.473 54.000 -0.113 0.000 0.882 381 D CB 0.540 41.302 40.800 -0.065 0.000 1.037 381 D HN 0.019 nan 8.370 nan 0.000 0.520 382 V N 6.541 126.268 119.914 -0.312 0.000 2.408 382 V HA 0.338 4.458 4.120 -0.001 0.000 0.267 382 V C -1.595 174.359 176.094 -0.234 0.000 1.047 382 V CA -1.177 60.781 62.300 -0.571 0.000 0.937 382 V CB 0.972 32.265 31.823 -0.883 0.000 0.999 382 V HN 0.571 nan 8.190 nan 0.000 0.472 383 P HA 0.217 nan 4.420 nan 0.000 0.278 383 P C -0.499 176.964 177.300 0.270 0.000 1.238 383 P CA -0.586 62.596 63.100 0.138 0.000 0.794 383 P CB 0.758 32.601 31.700 0.238 0.000 0.955 384 D N 0.362 120.892 120.400 0.217 0.000 2.478 384 D HA 0.102 4.742 4.640 -0.001 0.000 0.234 384 D C 0.515 177.027 176.300 0.354 0.000 1.154 384 D CA 0.631 54.784 54.000 0.255 0.000 0.874 384 D CB 0.331 41.217 40.800 0.142 0.000 1.198 384 D HN 0.373 nan 8.370 nan 0.000 0.455 385 A N 1.696 124.675 122.820 0.264 0.000 2.454 385 A HA 0.228 4.548 4.320 -0.001 0.000 0.260 385 A C 1.443 179.011 177.584 -0.026 0.000 1.106 385 A CA -0.227 51.735 52.037 -0.125 0.000 0.780 385 A CB 0.109 18.897 19.000 -0.353 0.000 1.044 385 A HN 0.581 nan 8.150 nan 0.000 0.498 386 T N 0.403 114.932 114.554 -0.041 0.000 2.821 386 T HA -0.014 4.336 4.350 -0.001 0.000 0.267 386 T C 0.387 175.068 174.700 -0.031 0.000 1.046 386 T CA 1.433 63.524 62.100 -0.015 0.000 1.139 386 T CB -0.100 68.757 68.868 -0.018 0.000 0.871 386 T HN 0.620 nan 8.240 nan 0.000 0.454 387 D N -0.352 120.017 120.400 -0.051 0.000 2.738 387 D HA 0.599 5.239 4.640 -0.001 0.000 0.237 387 D C -1.457 174.974 176.300 0.219 0.000 1.123 387 D CA -0.728 53.291 54.000 0.031 0.000 0.856 387 D CB 2.522 43.225 40.800 -0.161 0.000 1.552 387 D HN 0.196 nan 8.370 nan 0.000 0.480 388 I N 2.325 123.042 120.570 0.245 0.000 2.603 388 I HA 0.466 4.635 4.170 -0.001 0.000 0.300 388 I C -1.480 174.790 176.117 0.255 0.000 1.017 388 I CA -0.948 60.493 61.300 0.236 0.000 1.098 388 I CB 1.795 39.869 38.000 0.123 0.000 1.279 388 I HN 0.196 nan 8.210 nan 0.000 0.437 389 L N 7.975 129.218 121.223 0.033 0.000 2.376 389 L HA 0.545 4.884 4.340 -0.001 0.000 0.275 389 L C -1.411 175.473 176.870 0.023 0.000 0.987 389 L CA -0.361 54.468 54.840 -0.019 0.000 0.828 389 L CB 1.715 43.597 42.059 -0.295 0.000 1.249 389 L HN 0.306 nan 8.230 nan 0.000 0.409 390 V N 6.618 126.561 119.914 0.049 0.000 2.276 390 V HA 0.388 4.507 4.120 -0.001 0.000 0.268 390 V C -2.081 174.046 176.094 0.056 0.000 1.032 390 V CA -1.289 61.044 62.300 0.056 0.000 0.810 390 V CB 0.689 32.548 31.823 0.060 0.000 1.060 390 V HN 0.688 nan 8.190 nan 0.000 0.446 391 P HA 0.107 nan 4.420 nan 0.000 0.260 391 P C -0.169 177.164 177.300 0.054 0.000 1.185 391 P CA 0.226 63.347 63.100 0.035 0.000 0.763 391 P CB 0.443 32.277 31.700 0.224 0.000 0.776 392 R N 2.733 123.192 120.500 -0.068 0.000 3.559 392 R HA 0.170 4.509 4.340 -0.001 0.000 0.273 392 R C 0.455 176.799 176.300 0.074 0.000 1.423 392 R CA -0.157 55.976 56.100 0.055 0.000 1.581 392 R CB -0.061 30.266 30.300 0.044 0.000 1.338 392 R HN 0.548 nan 8.270 nan 0.000 0.667 393 W N -0.333 121.061 121.300 0.157 0.000 2.453 393 W HA -0.080 4.580 4.660 -0.001 0.000 0.289 393 W C 1.819 178.470 176.519 0.221 0.000 1.215 393 W CA 0.065 57.504 57.345 0.156 0.000 1.297 393 W CB -0.077 29.452 29.460 0.115 0.000 1.113 393 W HN 0.542 nan 8.180 nan 0.000 0.551 394 W N 1.361 122.829 121.300 0.279 0.000 2.338 394 W HA -0.234 4.425 4.660 -0.001 0.000 0.304 394 W C 2.224 178.818 176.519 0.124 0.000 1.212 394 W CA 2.444 59.890 57.345 0.168 0.000 1.264 394 W CB -0.728 28.797 29.460 0.108 0.000 1.142 394 W HN -0.315 nan 8.180 nan 0.000 0.512 395 S N -0.309 115.378 115.700 -0.021 0.000 2.402 395 S HA -0.173 4.297 4.470 -0.001 0.000 0.229 395 S C 0.479 174.960 174.600 -0.198 0.000 1.021 395 S CA 1.019 59.052 58.200 -0.278 0.000 0.974 395 S CB -0.674 62.460 63.200 -0.110 0.000 0.800 395 S HN 0.248 nan 8.310 nan 0.000 0.484 396 D N 1.950 122.324 120.400 -0.043 0.000 2.417 396 D HA -0.004 4.636 4.640 -0.001 0.000 0.250 396 D C 1.157 177.408 176.300 -0.081 0.000 1.166 396 D CA -0.246 53.730 54.000 -0.041 0.000 0.881 396 D CB 0.668 41.549 40.800 0.136 0.000 1.164 396 D HN 0.346 nan 8.370 nan 0.000 0.467 397 R N 3.114 123.433 120.500 -0.301 0.000 2.328 397 R HA -0.025 4.314 4.340 -0.001 0.000 0.207 397 R C 1.152 177.348 176.300 -0.173 0.000 1.056 397 R CA 0.986 56.908 56.100 -0.297 0.000 1.016 397 R CB -0.315 29.754 30.300 -0.385 0.000 0.872 397 R HN 0.389 nan 8.270 nan 0.000 0.471 398 F N -1.201 118.670 119.950 -0.131 0.000 2.727 398 F HA 0.252 4.778 4.527 -0.001 0.000 0.302 398 F C 0.612 175.978 175.800 -0.724 0.000 1.097 398 F CA -0.369 57.378 58.000 -0.423 0.000 1.330 398 F CB 0.440 39.122 39.000 -0.530 0.000 1.084 398 F HN -0.053 nan 8.300 nan 0.000 0.578 399 Y N -1.776 118.677 120.300 0.255 0.000 2.844 399 Y HA 0.159 4.709 4.550 -0.001 0.000 0.256 399 Y C 0.887 176.900 175.900 0.189 0.000 1.134 399 Y CA -0.673 57.588 58.100 0.268 0.000 1.209 399 Y CB 0.200 38.948 38.460 0.479 0.000 1.418 399 Y HN -0.396 nan 8.280 nan 0.000 0.459 400 K N 1.078 121.658 120.400 0.300 0.000 3.088 400 K HA -0.133 4.186 4.320 -0.001 0.000 0.273 400 K C 0.090 176.879 176.600 0.314 0.000 1.111 400 K CA 1.076 57.474 56.287 0.185 0.000 0.803 400 K CB -1.694 30.860 32.500 0.090 0.000 1.226 400 K HN 0.831 nan 8.250 nan 0.000 0.485 401 G N -2.489 106.533 108.800 0.370 0.000 2.345 401 G HA2 0.231 4.191 3.960 -0.001 0.000 0.285 401 G HA3 0.231 4.191 3.960 -0.001 0.000 0.285 401 G C 0.309 175.280 174.900 0.118 0.000 1.297 401 G CA 0.604 45.857 45.100 0.255 0.000 0.875 401 G HN 0.232 nan 8.290 nan 0.000 0.506 402 T N -2.779 111.678 114.554 -0.161 0.000 3.057 402 T HA 0.614 4.963 4.350 -0.001 0.000 0.254 402 T C 0.287 174.810 174.700 -0.295 0.000 0.965 402 T CA 1.389 63.239 62.100 -0.416 0.000 0.978 402 T CB 0.266 68.775 68.868 -0.598 0.000 1.169 402 T HN 1.766 nan 8.240 nan 0.000 0.489 403 F N 1.041 120.951 119.950 -0.067 0.000 2.741 403 F HA 0.769 5.295 4.527 -0.001 0.000 0.311 403 F C -0.434 175.379 175.800 0.022 0.000 1.149 403 F CA -1.633 56.336 58.000 -0.052 0.000 0.930 403 F CB 0.659 39.561 39.000 -0.163 0.000 1.312 403 F HN 0.113 nan 8.300 nan 0.000 0.450 404 S N 0.923 116.828 115.700 0.342 0.000 2.593 404 S HA 0.556 5.026 4.470 -0.001 0.000 0.269 404 S C -0.749 174.050 174.600 0.333 0.000 1.334 404 S CA -0.355 58.050 58.200 0.342 0.000 1.015 404 S CB 1.219 64.707 63.200 0.480 0.000 0.912 404 S HN 0.828 nan 8.310 nan 0.000 0.541 405 N N 0.078 118.873 118.700 0.159 0.000 2.249 405 N HA 0.252 4.992 4.740 -0.001 0.000 0.296 405 N C -1.800 173.438 175.510 -0.452 0.000 1.051 405 N CA -0.598 52.450 53.050 -0.004 0.000 0.815 405 N CB 1.016 39.511 38.487 0.013 0.000 1.487 405 N HN 0.800 nan 8.380 nan 0.000 0.475 406 W N 6.309 127.284 121.300 -0.542 0.000 2.546 406 W HA 0.338 4.998 4.660 -0.001 0.000 0.323 406 W C -2.489 173.690 176.519 -0.567 0.000 1.272 406 W CA -1.627 55.259 57.345 -0.765 0.000 1.404 406 W CB 0.107 29.361 29.460 -0.343 0.000 1.411 406 W HN 0.461 nan 8.180 nan 0.000 0.480 407 P HA 0.108 nan 4.420 nan 0.000 0.280 407 P C -0.577 176.748 177.300 0.043 0.000 1.272 407 P CA -0.570 62.449 63.100 -0.135 0.000 0.819 407 P CB 1.467 33.045 31.700 -0.203 0.000 1.122 408 V N 0.829 120.742 119.914 -0.002 0.000 2.715 408 V HA 0.404 4.523 4.120 -0.001 0.000 0.299 408 V C 1.351 177.473 176.094 0.047 0.000 1.054 408 V CA 1.899 64.212 62.300 0.022 0.000 1.077 408 V CB -0.281 31.529 31.823 -0.022 0.000 0.972 408 V HN 0.978 nan 8.190 nan 0.000 0.484 409 G N 4.314 113.163 108.800 0.081 0.000 2.213 409 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.236 409 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.236 409 G C -0.009 174.976 174.900 0.142 0.000 0.991 409 G CA 0.006 45.159 45.100 0.089 0.000 0.629 409 G HN 1.151 nan 8.290 nan 0.000 0.517 410 V N 3.989 124.024 119.914 0.203 0.000 2.385 410 V HA 0.481 4.601 4.120 -0.001 0.000 0.269 410 V C 0.631 177.039 176.094 0.522 0.000 1.043 410 V CA -0.467 61.999 62.300 0.277 0.000 0.906 410 V CB 1.081 32.981 31.823 0.129 0.000 0.995 410 V HN 0.656 nan 8.190 nan 0.000 0.467 411 N N 4.986 123.926 118.700 0.401 0.000 2.538 411 N HA 0.254 4.994 4.740 -0.001 0.000 0.292 411 N C 0.946 176.783 175.510 0.545 0.000 1.262 411 N CA -0.799 52.505 53.050 0.424 0.000 0.976 411 N CB 1.209 39.859 38.487 0.273 0.000 1.161 411 N HN 0.286 nan 8.380 nan 0.000 0.598 412 R N -0.830 119.948 120.500 0.463 0.000 2.096 412 R HA -0.109 4.231 4.340 -0.001 0.000 0.235 412 R C 1.990 178.506 176.300 0.359 0.000 1.127 412 R CA 1.234 57.618 56.100 0.473 0.000 0.968 412 R CB -1.106 29.375 30.300 0.301 0.000 0.861 412 R HN 0.695 nan 8.270 nan 0.000 0.440 413 Y N 1.476 121.880 120.300 0.174 0.000 2.114 413 Y HA -0.212 4.337 4.550 -0.001 0.000 0.284 413 Y C 1.929 177.877 175.900 0.079 0.000 1.143 413 Y CA 2.267 60.419 58.100 0.087 0.000 1.135 413 Y CB -0.228 38.258 38.460 0.044 0.000 0.980 413 Y HN 0.367 nan 8.280 nan 0.000 0.499 414 E N -1.812 118.465 120.200 0.128 0.000 2.371 414 E HA -0.212 4.138 4.350 -0.001 0.000 0.194 414 E C 1.847 178.425 176.600 -0.037 0.000 1.012 414 E CA 0.644 57.048 56.400 0.006 0.000 0.860 414 E CB -0.895 28.894 29.700 0.149 0.000 0.811 414 E HN 0.595 nan 8.360 nan 0.000 0.502 415 Y N 2.301 122.510 120.300 -0.151 0.000 2.181 415 Y HA -0.185 4.365 4.550 -0.001 0.000 0.288 415 Y C 1.745 177.453 175.900 -0.320 0.000 1.146 415 Y CA 1.994 59.865 58.100 -0.381 0.000 1.164 415 Y CB -0.317 37.828 38.460 -0.524 0.000 0.982 415 Y HN 0.113 nan 8.280 nan 0.000 0.515 416 D N -0.743 119.505 120.400 -0.253 0.000 2.183 416 D HA -0.160 4.480 4.640 -0.001 0.000 0.203 416 D C 1.946 178.063 176.300 -0.306 0.000 0.969 416 D CA 1.203 55.020 54.000 -0.305 0.000 0.842 416 D CB -0.085 40.620 40.800 -0.158 0.000 0.957 416 D HN 0.501 nan 8.370 nan 0.000 0.484 417 Q N -0.129 119.475 119.800 -0.326 0.000 2.197 417 Q HA -0.162 4.177 4.340 -0.001 0.000 0.207 417 Q C 2.333 178.281 176.000 -0.087 0.000 0.984 417 Q CA 0.611 56.339 55.803 -0.124 0.000 0.869 417 Q CB -0.114 28.598 28.738 -0.042 0.000 0.906 417 Q HN 0.413 nan 8.270 nan 0.000 0.426 418 L N 0.607 121.633 121.223 -0.328 0.000 2.046 418 L HA -0.215 4.125 4.340 -0.001 0.000 0.208 418 L C 2.603 179.183 176.870 -0.482 0.000 1.077 418 L CA 1.694 56.253 54.840 -0.467 0.000 0.747 418 L CB -0.131 41.560 42.059 -0.613 0.000 0.896 418 L HN 0.214 nan 8.230 nan 0.000 0.432 419 R N 0.532 120.762 120.500 -0.451 0.000 2.210 419 R HA 0.142 4.482 4.340 -0.001 0.000 0.203 419 R C 0.855 176.987 176.300 -0.280 0.000 1.010 419 R CA 0.695 56.587 56.100 -0.346 0.000 1.008 419 R CB -0.336 29.734 30.300 -0.384 0.000 0.923 419 R HN 0.155 nan 8.270 nan 0.000 0.469 420 A N 3.285 125.927 122.820 -0.296 0.000 2.567 420 A HA 0.231 4.551 4.320 -0.001 0.000 0.240 420 A C -2.132 175.318 177.584 -0.225 0.000 1.053 420 A CA -1.030 50.729 52.037 -0.463 0.000 0.755 420 A CB -0.306 18.649 19.000 -0.074 0.000 0.978 420 A HN 0.373 nan 8.150 nan 0.000 0.507 421 P HA 0.279 nan 4.420 nan 0.000 0.274 421 P C -0.745 176.434 177.300 -0.202 0.000 1.231 421 P CA -0.188 62.663 63.100 -0.414 0.000 0.790 421 P CB 0.906 32.037 31.700 -0.949 0.000 0.951 422 V N 2.285 122.037 119.914 -0.271 0.000 2.334 422 V HA 0.503 4.623 4.120 -0.001 0.000 0.281 422 V C 1.227 177.135 176.094 -0.310 0.000 1.016 422 V CA 0.702 62.872 62.300 -0.218 0.000 0.832 422 V CB 0.051 31.671 31.823 -0.339 0.000 0.999 422 V HN 1.080 nan 8.190 nan 0.000 0.439 423 G N 6.105 114.829 108.800 -0.127 0.000 2.596 423 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.304 423 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.304 423 G C 0.711 175.555 174.900 -0.093 0.000 1.189 423 G CA 0.798 45.883 45.100 -0.026 0.000 0.986 423 G HN 0.655 nan 8.290 nan 0.000 0.548 424 R N -0.325 120.187 120.500 0.021 0.000 2.334 424 R HA 0.390 4.729 4.340 -0.001 0.000 0.220 424 R C 0.257 176.585 176.300 0.047 0.000 0.917 424 R CA 0.112 56.321 56.100 0.181 0.000 1.073 424 R CB 0.530 30.978 30.300 0.247 0.000 1.056 424 R HN 0.245 nan 8.270 nan 0.000 0.506 425 V N 1.820 121.562 119.914 -0.287 0.000 2.385 425 V HA 0.159 4.279 4.120 -0.001 0.000 0.269 425 V C -0.574 175.064 176.094 -0.761 0.000 1.043 425 V CA -0.312 61.714 62.300 -0.457 0.000 0.906 425 V CB 0.215 31.668 31.823 -0.617 0.000 0.995 425 V HN 0.082 nan 8.190 nan 0.000 0.467 426 Y N 4.262 124.232 120.300 -0.551 0.000 2.409 426 Y HA 0.659 5.208 4.550 -0.001 0.000 0.339 426 Y C -0.193 175.290 175.900 -0.695 0.000 1.033 426 Y CA -0.685 57.109 58.100 -0.511 0.000 1.094 426 Y CB 1.813 40.096 38.460 -0.295 0.000 1.210 426 Y HN 0.507 nan 8.280 nan 0.000 0.456 427 F N 0.798 120.711 119.950 -0.062 0.000 2.469 427 F HA 0.593 5.120 4.527 -0.001 0.000 0.332 427 F C 0.420 176.149 175.800 -0.119 0.000 1.103 427 F CA -0.599 57.347 58.000 -0.089 0.000 0.979 427 F CB 2.056 40.969 39.000 -0.145 0.000 1.137 427 F HN 0.320 nan 8.300 nan 0.000 0.463 428 T N 0.882 115.465 114.554 0.048 0.000 2.858 428 T HA 0.870 5.220 4.350 -0.001 0.000 0.285 428 T C -0.557 174.033 174.700 -0.183 0.000 1.052 428 T CA -0.090 61.962 62.100 -0.080 0.000 1.009 428 T CB 1.651 70.476 68.868 -0.073 0.000 1.241 428 T HN 1.170 nan 8.240 nan 0.000 0.542 429 G N 1.099 109.753 108.800 -0.245 0.000 2.375 429 G HA2 0.099 4.059 3.960 -0.001 0.000 0.663 429 G HA3 0.099 4.059 3.960 -0.001 0.000 0.663 429 G C 0.215 174.912 174.900 -0.339 0.000 1.391 429 G CA 0.492 45.420 45.100 -0.288 0.000 0.949 429 G HN 0.839 nan 8.290 nan 0.000 0.646 430 E N -0.090 120.057 120.200 -0.088 0.000 2.147 430 E HA -0.300 4.049 4.350 -0.001 0.000 0.199 430 E C 1.686 178.290 176.600 0.006 0.000 1.005 430 E CA 2.692 59.101 56.400 0.014 0.000 0.810 430 E CB -0.704 29.053 29.700 0.095 0.000 0.736 430 E HN 1.088 nan 8.360 nan 0.000 0.460 431 H N -0.608 118.476 119.070 0.023 0.000 2.559 431 H HA 0.135 4.691 4.556 -0.001 0.000 0.273 431 H C 1.481 176.695 175.328 -0.189 0.000 1.000 431 H CA 1.266 57.284 56.048 -0.050 0.000 1.195 431 H CB -0.290 29.407 29.762 -0.109 0.000 1.368 431 H HN 0.363 nan 8.280 nan 0.000 0.592 432 T N -3.100 111.188 114.554 -0.443 0.000 3.023 432 T HA 0.083 4.432 4.350 -0.001 0.000 0.253 432 T C 0.987 175.566 174.700 -0.200 0.000 1.038 432 T CA -0.039 61.811 62.100 -0.417 0.000 0.962 432 T CB -0.227 68.411 68.868 -0.384 0.000 1.018 432 T HN 0.274 nan 8.240 nan 0.000 0.521 433 S N 1.403 117.088 115.700 -0.025 0.000 2.546 433 S HA 0.026 4.496 4.470 -0.001 0.000 0.290 433 S C 1.390 176.103 174.600 0.187 0.000 1.290 433 S CA -0.364 57.907 58.200 0.118 0.000 1.069 433 S CB 0.416 63.746 63.200 0.218 0.000 0.846 433 S HN 0.313 nan 8.310 nan 0.000 0.495 434 E N 3.163 123.427 120.200 0.107 0.000 2.072 434 E HA -0.089 4.261 4.350 -0.001 0.000 0.191 434 E C 0.892 177.301 176.600 -0.318 0.000 0.985 434 E CA 1.451 57.834 56.400 -0.029 0.000 0.801 434 E CB -0.073 29.583 29.700 -0.073 0.000 0.750 434 E HN 0.812 nan 8.360 nan 0.000 0.452 435 H N -2.685 116.329 119.070 -0.093 0.000 3.233 435 H HA 0.154 4.710 4.556 -0.001 0.000 0.263 435 H C -0.098 174.856 175.328 -0.623 0.000 1.168 435 H CA 0.073 55.853 56.048 -0.447 0.000 1.159 435 H CB 0.522 29.827 29.762 -0.762 0.000 1.593 435 H HN 0.135 nan 8.280 nan 0.000 0.580 436 Y N 0.979 121.453 120.300 0.290 0.000 2.712 436 Y HA 0.073 4.623 4.550 -0.001 0.000 0.250 436 Y C 0.433 176.505 175.900 0.287 0.000 1.101 436 Y CA -1.106 57.175 58.100 0.301 0.000 1.118 436 Y CB -0.104 38.565 38.460 0.348 0.000 1.203 436 Y HN 0.111 nan 8.280 nan 0.000 0.587 437 N N 0.476 119.381 118.700 0.343 0.000 2.293 437 N HA 0.244 4.983 4.740 -0.001 0.000 0.253 437 N C 1.279 176.913 175.510 0.206 0.000 1.248 437 N CA 1.405 54.625 53.050 0.283 0.000 0.845 437 N CB 0.580 39.254 38.487 0.313 0.000 1.073 437 N HN 0.494 nan 8.380 nan 0.000 0.464 438 G N -0.043 108.784 108.800 0.046 0.000 2.176 438 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.232 438 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.232 438 G C -0.697 173.739 174.900 -0.773 0.000 0.986 438 G CA 0.140 45.036 45.100 -0.339 0.000 0.643 438 G HN 0.666 nan 8.290 nan 0.000 0.522 439 Y N -1.142 119.054 120.300 -0.173 0.000 2.477 439 Y HA 0.506 5.055 4.550 -0.001 0.000 0.347 439 Y C 1.569 177.305 175.900 -0.273 0.000 0.981 439 Y CA -0.543 57.357 58.100 -0.333 0.000 1.033 439 Y CB 1.963 40.007 38.460 -0.694 0.000 1.245 439 Y HN -0.057 nan 8.280 nan 0.000 0.455 440 V N 1.868 121.778 119.914 -0.007 0.000 2.250 440 V HA -0.409 3.711 4.120 -0.001 0.000 0.253 440 V C 2.379 178.514 176.094 0.069 0.000 1.065 440 V CA 2.754 65.068 62.300 0.023 0.000 1.039 440 V CB -0.769 31.080 31.823 0.042 0.000 0.647 440 V HN 0.968 nan 8.190 nan 0.000 0.446 441 H N -0.041 119.121 119.070 0.153 0.000 2.389 441 H HA -0.029 4.527 4.556 -0.001 0.000 0.299 441 H C 2.389 177.846 175.328 0.216 0.000 1.081 441 H CA 1.617 57.733 56.048 0.113 0.000 1.345 441 H CB -0.849 28.861 29.762 -0.087 0.000 1.393 441 H HN 0.411 nan 8.280 nan 0.000 0.520 442 G N 1.321 110.107 108.800 -0.023 0.000 2.433 442 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.216 442 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.216 442 G C 2.083 177.086 174.900 0.173 0.000 1.186 442 G CA 1.755 46.993 45.100 0.231 0.000 0.779 442 G HN 0.627 nan 8.290 nan 0.000 0.543 443 A N 0.068 122.952 122.820 0.106 0.000 1.917 443 A HA -0.136 4.184 4.320 -0.001 0.000 0.219 443 A C 2.244 179.889 177.584 0.100 0.000 1.182 443 A CA 1.986 54.069 52.037 0.078 0.000 0.633 443 A CB -0.807 18.233 19.000 0.067 0.000 0.819 443 A HN 0.580 nan 8.150 nan 0.000 0.448 444 Y N 0.425 120.749 120.300 0.040 0.000 2.145 444 Y HA -0.151 4.399 4.550 -0.001 0.000 0.286 444 Y C 1.905 177.836 175.900 0.052 0.000 1.145 444 Y CA 2.009 60.134 58.100 0.042 0.000 1.148 444 Y CB -0.301 38.190 38.460 0.052 0.000 0.981 444 Y HN 0.203 nan 8.280 nan 0.000 0.507 445 L N -0.026 121.223 121.223 0.043 0.000 2.217 445 L HA -0.143 4.196 4.340 -0.001 0.000 0.211 445 L C 2.695 179.541 176.870 -0.039 0.000 1.107 445 L CA 1.204 56.028 54.840 -0.026 0.000 0.783 445 L CB -0.781 41.422 42.059 0.239 0.000 0.919 445 L HN 0.376 nan 8.230 nan 0.000 0.442 446 S N 0.044 115.745 115.700 0.001 0.000 2.382 446 S HA -0.125 4.344 4.470 -0.001 0.000 0.228 446 S C 2.162 176.703 174.600 -0.098 0.000 1.027 446 S CA 0.865 59.042 58.200 -0.038 0.000 0.991 446 S CB -1.162 62.007 63.200 -0.052 0.000 0.823 446 S HN 0.413 nan 8.310 nan 0.000 0.469 447 G N 2.525 111.246 108.800 -0.133 0.000 2.681 447 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.220 447 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.220 447 G C 1.352 176.137 174.900 -0.192 0.000 1.210 447 G CA 1.459 46.457 45.100 -0.170 0.000 0.783 447 G HN 0.567 nan 8.290 nan 0.000 0.609 448 I N 1.115 121.536 120.570 -0.248 0.000 2.163 448 I HA -0.138 4.032 4.170 -0.001 0.000 0.243 448 I C 2.447 178.488 176.117 -0.126 0.000 1.085 448 I CA 1.646 62.823 61.300 -0.204 0.000 1.347 448 I CB -0.254 37.613 38.000 -0.222 0.000 1.044 448 I HN 0.090 nan 8.210 nan 0.000 0.408 449 D N 0.215 120.563 120.400 -0.086 0.000 2.077 449 D HA -0.131 4.509 4.640 -0.001 0.000 0.196 449 D C 2.418 178.687 176.300 -0.052 0.000 0.986 449 D CA 1.535 55.512 54.000 -0.037 0.000 0.829 449 D CB -0.427 40.377 40.800 0.007 0.000 0.983 449 D HN 0.135 nan 8.370 nan 0.000 0.453 450 S N 0.700 116.358 115.700 -0.070 0.000 2.359 450 S HA -0.257 4.212 4.470 -0.001 0.000 0.223 450 S C 2.152 176.655 174.600 -0.162 0.000 1.039 450 S CA 1.495 59.645 58.200 -0.084 0.000 1.042 450 S CB -0.663 62.488 63.200 -0.082 0.000 0.915 450 S HN 0.395 nan 8.310 nan 0.000 0.439 451 A N 1.381 124.095 122.820 -0.177 0.000 1.915 451 A HA -0.285 4.034 4.320 -0.001 0.000 0.220 451 A C 2.064 179.516 177.584 -0.219 0.000 1.198 451 A CA 2.156 54.062 52.037 -0.218 0.000 0.647 451 A CB -0.846 18.038 19.000 -0.194 0.000 0.825 451 A HN 0.592 nan 8.150 nan 0.000 0.456 452 E N -0.622 119.487 120.200 -0.151 0.000 2.077 452 E HA -0.143 4.206 4.350 -0.001 0.000 0.193 452 E C 1.888 178.423 176.600 -0.109 0.000 0.989 452 E CA 1.191 57.522 56.400 -0.115 0.000 0.800 452 E CB -0.313 29.346 29.700 -0.067 0.000 0.746 452 E HN 0.715 nan 8.360 nan 0.000 0.452 453 I N 0.959 121.484 120.570 -0.074 0.000 2.145 453 I HA -0.337 3.832 4.170 -0.001 0.000 0.244 453 I C 2.521 178.543 176.117 -0.158 0.000 1.075 453 I CA 1.146 62.442 61.300 -0.007 0.000 1.332 453 I CB -0.289 37.784 38.000 0.121 0.000 1.033 453 I HN 0.179 nan 8.210 nan 0.000 0.410 454 L N 0.596 121.526 121.223 -0.488 0.000 2.027 454 L HA -0.170 4.170 4.340 -0.001 0.000 0.206 454 L C 2.506 179.080 176.870 -0.494 0.000 1.074 454 L CA 1.552 55.883 54.840 -0.848 0.000 0.745 454 L CB -0.178 41.182 42.059 -1.166 0.000 0.898 454 L HN 0.090 nan 8.230 nan 0.000 0.433 455 I N 0.427 120.797 120.570 -0.334 0.000 2.315 455 I HA -0.352 3.818 4.170 -0.001 0.000 0.251 455 I C 2.040 178.067 176.117 -0.150 0.000 1.125 455 I CA 1.671 62.842 61.300 -0.214 0.000 1.392 455 I CB -0.508 37.401 38.000 -0.153 0.000 1.065 455 I HN 0.400 nan 8.210 nan 0.000 0.424 456 N N -0.472 118.152 118.700 -0.127 0.000 2.244 456 N HA -0.180 4.560 4.740 -0.001 0.000 0.183 456 N C 1.943 177.425 175.510 -0.045 0.000 1.016 456 N CA 1.104 54.117 53.050 -0.062 0.000 0.866 456 N CB -0.090 38.382 38.487 -0.025 0.000 0.980 456 N HN 0.453 nan 8.380 nan 0.000 0.430 457 c N -0.414 118.137 118.600 -0.082 0.000 2.518 457 c HA 0.277 4.846 4.570 -0.001 0.000 0.279 457 c C 2.705 176.778 174.090 -0.028 0.000 1.279 457 c CA 0.935 57.243 56.329 -0.034 0.000 1.703 457 c CB -1.273 41.221 42.510 -0.026 0.000 2.072 457 c HN 0.485 nan 8.230 nan 0.000 0.487 458 A N -0.221 122.518 122.820 -0.136 0.000 1.883 458 A HA -0.215 4.104 4.320 -0.001 0.000 0.217 458 A C 2.123 179.725 177.584 0.029 0.000 1.186 458 A CA 2.072 54.109 52.037 0.001 0.000 0.624 458 A CB -0.680 18.279 19.000 -0.070 0.000 0.822 458 A HN 0.837 nan 8.150 nan 0.000 0.444 459 Q N -1.482 118.307 119.800 -0.019 0.000 2.159 459 Q HA 0.064 4.404 4.340 -0.001 0.000 0.194 459 Q C 1.469 177.470 176.000 0.001 0.000 0.968 459 Q CA 0.684 56.483 55.803 -0.006 0.000 0.837 459 Q CB 0.023 28.746 28.738 -0.024 0.000 0.920 459 Q HN 0.289 nan 8.270 nan 0.000 0.485 460 K N 0.691 121.086 120.400 -0.008 0.000 2.444 460 K HA 0.040 4.359 4.320 -0.001 0.000 0.193 460 K C -0.129 176.478 176.600 0.013 0.000 1.024 460 K CA 0.232 56.519 56.287 -0.000 0.000 1.077 460 K CB 0.553 33.049 32.500 -0.007 0.000 0.833 460 K HN 0.096 nan 8.250 nan 0.000 0.517 461 K N 0.187 120.601 120.400 0.023 0.000 3.088 461 K HA -0.160 4.159 4.320 -0.001 0.000 0.273 461 K C -0.188 176.437 176.600 0.043 0.000 1.111 461 K CA 0.873 57.184 56.287 0.041 0.000 0.803 461 K CB -1.719 30.804 32.500 0.039 0.000 1.226 461 K HN 0.198 nan 8.250 nan 0.000 0.485 462 M N 0.105 119.728 119.600 0.037 0.000 2.055 462 M HA 0.159 4.639 4.480 -0.001 0.000 0.347 462 M C 0.951 177.295 176.300 0.073 0.000 1.123 462 M CA -0.258 55.069 55.300 0.045 0.000 1.035 462 M CB 0.598 33.217 32.600 0.031 0.000 1.484 462 M HN 0.094 nan 8.290 nan 0.000 0.428 463 c N 0.496 119.151 118.600 0.092 0.000 3.545 463 c HA 0.189 4.758 4.570 -0.001 0.000 0.368 463 c C 1.106 175.278 174.090 0.136 0.000 1.400 463 c CA -0.348 56.060 56.329 0.131 0.000 1.848 463 c CB 0.117 42.713 42.510 0.144 0.000 2.576 463 c HN 0.686 nan 8.230 nan 0.000 0.683 464 K N 1.842 122.308 120.400 0.109 0.000 2.363 464 K HA 0.122 4.441 4.320 -0.001 0.000 0.289 464 K C -0.860 175.830 176.600 0.148 0.000 1.063 464 K CA 0.172 56.527 56.287 0.114 0.000 0.967 464 K CB 0.163 32.710 32.500 0.079 0.000 0.987 464 K HN 0.434 nan 8.250 nan 0.000 0.473 465 Y N 3.965 124.283 120.300 0.030 0.000 2.350 465 Y HA 0.039 4.588 4.550 -0.001 0.000 0.340 465 Y C -0.179 175.733 175.900 0.019 0.000 1.006 465 Y CA -0.494 57.621 58.100 0.025 0.000 1.166 465 Y CB 0.443 38.902 38.460 -0.001 0.000 1.168 465 Y HN 0.507 nan 8.280 nan 0.000 0.502 466 H N 6.926 125.807 119.070 -0.316 0.000 2.690 466 H HA 0.290 4.846 4.556 -0.001 0.000 0.289 466 H C -0.884 174.244 175.328 -0.334 0.000 1.089 466 H CA -0.547 55.364 56.048 -0.228 0.000 1.299 466 H CB 0.560 30.227 29.762 -0.158 0.000 1.405 466 H HN 0.594 nan 8.280 nan 0.000 0.463 467 V N 6.548 126.174 119.914 -0.479 0.000 2.540 467 V HA -0.078 4.042 4.120 -0.001 0.000 0.297 467 V C 0.158 176.070 176.094 -0.304 0.000 1.024 467 V CA 0.432 62.510 62.300 -0.370 0.000 1.105 467 V CB 0.617 32.157 31.823 -0.472 0.000 0.938 467 V HN 0.796 nan 8.190 nan 0.000 0.482 468 Q N 0.000 119.731 119.800 -0.115 0.000 2.315 468 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 468 Q CA 0.000 55.888 55.803 0.141 0.000 1.022 468 Q CB 0.000 28.804 28.738 0.110 0.000 1.108 468 Q HN 0.000 nan 8.270 nan 0.000 0.481