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 3kpf_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 0.000 174.704 174.700 0.007 0.000 1.109 2 T CA 0.000 62.104 62.100 0.007 0.000 1.349 2 T CB 0.000 68.871 68.868 0.006 0.000 0.612 3 V N 1.454 121.372 119.914 0.007 0.000 2.653 3 V HA 0.756 4.876 4.120 0.001 0.000 0.298 3 V C 0.230 176.330 176.094 0.010 0.000 1.097 3 V CA 0.311 62.615 62.300 0.008 0.000 0.908 3 V CB 1.011 32.838 31.823 0.006 0.000 1.024 3 V HN 1.174 nan 8.190 nan 0.000 0.435 4 G N 6.195 115.003 108.800 0.013 0.000 2.298 4 G HA2 0.143 4.103 3.960 0.001 0.000 0.309 4 G HA3 0.143 4.103 3.960 0.001 0.000 0.309 4 G C -3.160 171.756 174.900 0.027 0.000 1.279 4 G CA -0.389 44.723 45.100 0.020 0.000 1.042 4 G HN 0.668 nan 8.290 nan 0.000 0.480 5 P HA 0.424 nan 4.420 nan 0.000 0.268 5 P C -0.407 176.932 177.300 0.065 0.000 1.208 5 P CA 0.103 63.249 63.100 0.077 0.000 0.777 5 P CB 0.821 32.631 31.700 0.184 0.000 0.875 6 R N 1.383 121.912 120.500 0.049 0.000 2.480 6 R HA 0.544 4.885 4.340 0.001 0.000 0.306 6 R C -1.622 174.716 176.300 0.064 0.000 0.958 6 R CA -0.694 55.428 56.100 0.036 0.000 0.861 6 R CB 1.077 31.383 30.300 0.009 0.000 1.171 6 R HN 0.215 nan 8.270 nan 0.000 0.445 7 V N 6.451 126.400 119.914 0.058 0.000 2.487 7 V HA 0.436 4.557 4.120 0.001 0.000 0.298 7 V C -0.023 176.074 176.094 0.006 0.000 1.028 7 V CA -0.741 61.599 62.300 0.067 0.000 0.860 7 V CB 1.660 33.509 31.823 0.043 0.000 0.991 7 V HN 0.743 nan 8.190 nan 0.000 0.427 8 I N 4.633 125.203 120.570 -0.001 0.000 2.365 8 I HA 0.359 4.529 4.170 0.001 0.000 0.291 8 I C -0.365 175.719 176.117 -0.055 0.000 1.004 8 I CA -0.497 60.773 61.300 -0.051 0.000 1.311 8 I CB 1.710 39.674 38.000 -0.061 0.000 1.401 8 I HN 0.297 nan 8.210 nan 0.000 0.491 9 V N 7.609 127.477 119.914 -0.077 0.000 2.313 9 V HA 0.191 4.311 4.120 0.001 0.000 0.278 9 V C 0.105 176.145 176.094 -0.091 0.000 1.017 9 V CA -0.721 61.534 62.300 -0.075 0.000 0.823 9 V CB 1.380 33.165 31.823 -0.063 0.000 1.010 9 V HN 0.380 nan 8.190 nan 0.000 0.443 10 V N 5.044 124.907 119.914 -0.086 0.000 2.387 10 V HA 0.689 4.809 4.120 0.001 0.000 0.260 10 V C 0.879 176.921 176.094 -0.086 0.000 1.054 10 V CA 0.719 62.962 62.300 -0.095 0.000 0.967 10 V CB 0.128 31.902 31.823 -0.082 0.000 1.036 10 V HN 1.256 nan 8.190 nan 0.000 0.481 11 G N 4.190 112.922 108.800 -0.114 0.000 2.911 11 G HA2 0.311 4.271 3.960 0.001 0.000 0.686 11 G HA3 0.311 4.271 3.960 0.001 0.000 0.686 11 G C -0.305 174.540 174.900 -0.091 0.000 1.136 11 G CA -0.335 44.696 45.100 -0.114 0.000 0.764 11 G HN 1.559 nan 8.290 nan 0.000 0.626 12 A N 1.627 124.382 122.820 -0.109 0.000 3.113 12 A HA 0.823 5.143 4.320 0.001 0.000 0.307 12 A C 1.180 178.714 177.584 -0.082 0.000 1.025 12 A CA 1.031 53.012 52.037 -0.094 0.000 1.012 12 A CB -0.105 18.820 19.000 -0.125 0.000 1.085 12 A HN 2.170 nan 8.150 nan 0.000 0.519 13 G N -0.637 108.146 108.800 -0.029 0.000 2.494 13 G HA2 0.371 4.331 3.960 0.001 0.000 0.270 13 G HA3 0.371 4.331 3.960 0.001 0.000 0.270 13 G C 0.955 175.864 174.900 0.016 0.000 1.423 13 G CA 0.192 45.301 45.100 0.015 0.000 1.055 13 G HN 0.399 nan 8.290 nan 0.000 0.536 14 M N 0.533 120.155 119.600 0.037 0.000 2.108 14 M HA -0.131 4.350 4.480 0.001 0.000 0.261 14 M C 2.588 178.926 176.300 0.064 0.000 1.066 14 M CA 2.736 58.072 55.300 0.059 0.000 1.107 14 M CB -0.593 32.043 32.600 0.061 0.000 1.356 14 M HN 0.521 nan 8.290 nan 0.000 0.406 15 S N -0.970 114.754 115.700 0.040 0.000 2.395 15 S HA 0.083 4.553 4.470 0.001 0.000 0.225 15 S C 2.200 176.787 174.600 -0.021 0.000 1.027 15 S CA 0.760 58.962 58.200 0.004 0.000 0.965 15 S CB -1.686 61.511 63.200 -0.005 0.000 0.812 15 S HN 0.578 nan 8.310 nan 0.000 0.482 16 G N 2.416 111.210 108.800 -0.010 0.000 2.446 16 G HA2 -0.087 3.873 3.960 0.001 0.000 0.217 16 G HA3 -0.087 3.873 3.960 0.001 0.000 0.217 16 G C 1.382 176.280 174.900 -0.003 0.000 1.168 16 G CA 1.028 46.114 45.100 -0.023 0.000 0.771 16 G HN 0.451 nan 8.290 nan 0.000 0.551 17 I N 1.087 121.672 120.570 0.026 0.000 2.252 17 I HA -0.086 4.084 4.170 0.001 0.000 0.245 17 I C 2.907 179.072 176.117 0.080 0.000 1.102 17 I CA 1.276 62.637 61.300 0.102 0.000 1.385 17 I CB -1.003 37.041 38.000 0.074 0.000 1.064 17 I HN 0.210 nan 8.210 nan 0.000 0.414 18 S N 0.539 116.252 115.700 0.022 0.000 2.356 18 S HA -0.155 4.315 4.470 0.001 0.000 0.223 18 S C 2.230 176.725 174.600 -0.176 0.000 1.032 18 S CA 1.562 59.718 58.200 -0.073 0.000 1.005 18 S CB -0.114 63.001 63.200 -0.141 0.000 0.867 18 S HN 0.487 nan 8.310 nan 0.000 0.449 19 A N 1.300 124.032 122.820 -0.147 0.000 1.877 19 A HA 0.182 4.503 4.320 0.001 0.000 0.216 19 A C 2.448 179.905 177.584 -0.210 0.000 1.186 19 A CA 1.877 53.810 52.037 -0.173 0.000 0.620 19 A CB -1.399 17.519 19.000 -0.136 0.000 0.822 19 A HN 0.708 nan 8.150 nan 0.000 0.443 20 A N -0.240 122.475 122.820 -0.175 0.000 1.933 20 A HA -0.188 4.133 4.320 0.001 0.000 0.218 20 A C 2.115 179.325 177.584 -0.622 0.000 1.175 20 A CA 2.129 54.042 52.037 -0.206 0.000 0.628 20 A CB -0.478 18.560 19.000 0.063 0.000 0.814 20 A HN 0.582 nan 8.150 nan 0.000 0.444 21 K N -0.734 119.097 120.400 -0.948 0.000 2.032 21 K HA -0.226 4.094 4.320 0.001 0.000 0.209 21 K C 2.285 178.549 176.600 -0.560 0.000 1.048 21 K CA 1.797 57.366 56.287 -1.197 0.000 0.927 21 K CB -0.143 31.963 32.500 -0.657 0.000 0.712 21 K HN 0.277 nan 8.250 nan 0.000 0.441 22 R N 0.851 121.130 120.500 -0.368 0.000 2.092 22 R HA 0.010 4.351 4.340 0.001 0.000 0.231 22 R C 2.043 178.208 176.300 -0.225 0.000 1.119 22 R CA 1.235 57.185 56.100 -0.251 0.000 0.970 22 R CB -0.458 29.713 30.300 -0.216 0.000 0.864 22 R HN 0.272 nan 8.270 nan 0.000 0.440 23 L N -0.404 120.673 121.223 -0.243 0.000 2.056 23 L HA -0.125 4.216 4.340 0.001 0.000 0.207 23 L C 2.460 179.231 176.870 -0.164 0.000 1.078 23 L CA 1.686 56.411 54.840 -0.192 0.000 0.749 23 L CB -0.643 41.310 42.059 -0.176 0.000 0.901 23 L HN 0.281 nan 8.230 nan 0.000 0.433 24 S N -0.093 115.480 115.700 -0.212 0.000 2.356 24 S HA -0.236 4.235 4.470 0.001 0.000 0.223 24 S C 1.850 176.381 174.600 -0.115 0.000 1.032 24 S CA 1.671 59.783 58.200 -0.147 0.000 1.005 24 S CB -0.132 62.952 63.200 -0.194 0.000 0.867 24 S HN 0.428 nan 8.310 nan 0.000 0.449 25 E N 0.556 120.667 120.200 -0.149 0.000 2.160 25 E HA -0.068 4.283 4.350 0.001 0.000 0.195 25 E C 2.155 178.709 176.600 -0.077 0.000 0.991 25 E CA 1.035 57.375 56.400 -0.099 0.000 0.810 25 E CB -0.265 29.371 29.700 -0.107 0.000 0.742 25 E HN 0.640 nan 8.360 nan 0.000 0.466 26 A N -0.211 122.555 122.820 -0.090 0.000 2.168 26 A HA 0.152 4.473 4.320 0.001 0.000 0.215 26 A C 1.859 179.410 177.584 -0.055 0.000 1.152 26 A CA 1.121 53.114 52.037 -0.073 0.000 0.716 26 A CB -0.231 18.715 19.000 -0.091 0.000 0.794 26 A HN 0.374 nan 8.150 nan 0.000 0.465 27 G N -1.302 107.466 108.800 -0.052 0.000 2.179 27 G HA2 -0.177 3.784 3.960 0.001 0.000 0.220 27 G HA3 -0.177 3.784 3.960 0.001 0.000 0.220 27 G C 0.157 175.038 174.900 -0.031 0.000 0.990 27 G CA -0.004 45.076 45.100 -0.034 0.000 0.646 27 G HN 0.452 nan 8.290 nan 0.000 0.517 28 I N 3.154 123.696 120.570 -0.047 0.000 2.311 28 I HA 0.251 4.421 4.170 0.001 0.000 0.297 28 I C 1.668 177.766 176.117 -0.032 0.000 1.131 28 I CA 0.830 62.107 61.300 -0.038 0.000 1.289 28 I CB 0.612 38.577 38.000 -0.058 0.000 1.446 28 I HN 0.268 nan 8.210 nan 0.000 0.524 29 T N -0.934 113.614 114.554 -0.010 0.000 3.010 29 T HA 0.061 4.412 4.350 0.001 0.000 0.257 29 T C 0.715 175.422 174.700 0.012 0.000 1.020 29 T CA -0.257 61.846 62.100 0.005 0.000 0.938 29 T CB 0.064 68.939 68.868 0.012 0.000 1.049 29 T HN 0.315 nan 8.240 nan 0.000 0.522 30 D N 2.084 122.489 120.400 0.007 0.000 2.608 30 D HA 0.294 4.934 4.640 0.001 0.000 0.224 30 D C -0.540 175.762 176.300 0.003 0.000 1.123 30 D CA -0.149 53.856 54.000 0.008 0.000 1.030 30 D CB -0.459 40.348 40.800 0.011 0.000 1.093 30 D HN 0.482 nan 8.370 nan 0.000 0.497 31 L N 2.187 123.411 121.223 0.001 0.000 2.334 31 L HA 0.491 4.831 4.340 0.001 0.000 0.276 31 L C -0.397 176.454 176.870 -0.032 0.000 1.014 31 L CA -1.188 53.647 54.840 -0.008 0.000 0.815 31 L CB 2.125 44.195 42.059 0.017 0.000 1.268 31 L HN 0.054 nan 8.230 nan 0.000 0.428 32 L N 4.290 125.474 121.223 -0.065 0.000 2.372 32 L HA 0.555 4.895 4.340 0.001 0.000 0.273 32 L C -0.843 175.946 176.870 -0.135 0.000 0.989 32 L CA -0.007 54.761 54.840 -0.121 0.000 0.841 32 L CB 1.240 43.184 42.059 -0.192 0.000 1.225 32 L HN 0.383 nan 8.230 nan 0.000 0.414 33 I N 6.080 126.580 120.570 -0.117 0.000 2.312 33 I HA 0.281 4.451 4.170 0.001 0.000 0.291 33 I C -0.491 175.530 176.117 -0.159 0.000 1.031 33 I CA -0.221 61.008 61.300 -0.118 0.000 1.293 33 I CB 0.797 38.747 38.000 -0.083 0.000 1.403 33 I HN 0.449 nan 8.210 nan 0.000 0.484 34 L N 6.395 127.512 121.223 -0.176 0.000 2.277 34 L HA 0.410 4.750 4.340 0.001 0.000 0.284 34 L C -0.157 176.605 176.870 -0.180 0.000 1.028 34 L CA -0.501 54.225 54.840 -0.190 0.000 0.835 34 L CB 1.018 42.950 42.059 -0.213 0.000 1.215 34 L HN 0.538 nan 8.230 nan 0.000 0.425 35 E N 2.351 122.440 120.200 -0.185 0.000 2.156 35 E HA 0.450 4.800 4.350 0.001 0.000 0.279 35 E C 0.545 176.965 176.600 -0.300 0.000 0.965 35 E CA -0.217 56.045 56.400 -0.230 0.000 0.789 35 E CB 2.004 31.580 29.700 -0.207 0.000 1.098 35 E HN 0.554 nan 8.360 nan 0.000 0.397 36 A N 3.694 126.235 122.820 -0.464 0.000 1.902 36 A HA -0.065 4.255 4.320 0.001 0.000 0.217 36 A C 1.428 178.604 177.584 -0.681 0.000 1.181 36 A CA 1.885 53.470 52.037 -0.754 0.000 0.623 36 A CB -1.123 17.001 19.000 -1.460 0.000 0.818 36 A HN 0.749 nan 8.150 nan 0.000 0.443 37 T N -1.779 112.456 114.554 -0.532 0.000 2.793 37 T HA 0.295 4.645 4.350 0.001 0.000 0.299 37 T C 0.454 175.111 174.700 -0.071 0.000 1.038 37 T CA 0.272 62.259 62.100 -0.189 0.000 0.948 37 T CB 0.558 69.361 68.868 -0.109 0.000 1.231 37 T HN 0.369 nan 8.240 nan 0.000 0.538 38 D N -0.144 120.343 120.400 0.146 0.000 2.358 38 D HA 0.066 4.706 4.640 0.001 0.000 0.224 38 D C 0.397 176.852 176.300 0.259 0.000 1.123 38 D CA -0.312 53.788 54.000 0.168 0.000 0.833 38 D CB -0.580 40.319 40.800 0.165 0.000 0.946 38 D HN 0.837 nan 8.370 nan 0.000 0.505 39 H N -1.245 117.830 119.070 0.007 0.000 3.014 39 H HA 0.377 4.933 4.556 0.001 0.000 0.337 39 H C -0.267 175.048 175.328 -0.023 0.000 1.320 39 H CA -1.143 54.930 56.048 0.042 0.000 1.128 39 H CB 0.379 30.218 29.762 0.129 0.000 1.862 39 H HN -0.014 nan 8.280 nan 0.000 0.536 40 I N -1.953 118.563 120.570 -0.089 0.000 2.970 40 I HA 0.688 4.858 4.170 0.001 0.000 0.310 40 I C 1.145 177.175 176.117 -0.145 0.000 1.010 40 I CA 0.190 61.348 61.300 -0.236 0.000 1.228 40 I CB 1.273 39.059 38.000 -0.356 0.000 1.433 40 I HN 0.954 nan 8.210 nan 0.000 0.573 41 G N 0.877 109.611 108.800 -0.109 0.000 2.352 41 G HA2 0.066 4.026 3.960 0.001 0.000 0.204 41 G HA3 0.066 4.026 3.960 0.001 0.000 0.204 41 G C 0.934 175.887 174.900 0.088 0.000 1.004 41 G CA 0.054 45.179 45.100 0.042 0.000 0.648 41 G HN 1.962 nan 8.290 nan 0.000 0.491 42 G N 0.658 109.502 108.800 0.074 0.000 2.629 42 G HA2 -0.400 3.560 3.960 0.001 0.000 0.313 42 G HA3 -0.400 3.560 3.960 0.001 0.000 0.313 42 G C 0.882 175.915 174.900 0.221 0.000 1.217 42 G CA 1.388 46.633 45.100 0.241 0.000 0.994 42 G HN 1.142 nan 8.290 nan 0.000 0.549 43 R N 0.305 120.867 120.500 0.104 0.000 2.319 43 R HA 0.275 4.615 4.340 0.001 0.000 0.204 43 R C 0.729 177.012 176.300 -0.028 0.000 0.954 43 R CA 0.225 56.227 56.100 -0.164 0.000 1.066 43 R CB -0.100 30.014 30.300 -0.311 0.000 0.991 43 R HN 0.414 nan 8.270 nan 0.000 0.486 44 M N 0.438 120.094 119.600 0.093 0.000 2.152 44 M HA 0.176 4.656 4.480 0.001 0.000 0.354 44 M C -1.005 175.502 176.300 0.344 0.000 1.173 44 M CA -0.294 55.076 55.300 0.117 0.000 1.110 44 M CB 1.122 33.693 32.600 -0.049 0.000 1.366 44 M HN -0.081 nan 8.290 nan 0.000 0.415 45 H N 2.850 122.076 119.070 0.261 0.000 2.966 45 H HA 0.395 4.951 4.556 0.001 0.000 0.347 45 H C -1.302 174.157 175.328 0.219 0.000 1.048 45 H CA -1.001 55.217 56.048 0.284 0.000 1.295 45 H CB 1.379 31.363 29.762 0.369 0.000 1.744 45 H HN 0.580 nan 8.280 nan 0.000 0.513 46 K N 2.338 122.615 120.400 -0.205 0.000 2.090 46 K HA 0.687 5.008 4.320 0.001 0.000 0.249 46 K C -0.671 175.704 176.600 -0.374 0.000 0.995 46 K CA -0.770 55.399 56.287 -0.197 0.000 0.914 46 K CB 1.996 34.430 32.500 -0.110 0.000 1.057 46 K HN 0.420 nan 8.250 nan 0.000 0.462 47 T N -0.125 114.289 114.554 -0.233 0.000 2.868 47 T HA 0.179 4.529 4.350 0.001 0.000 0.306 47 T C -1.582 173.027 174.700 -0.152 0.000 1.224 47 T CA -0.940 61.040 62.100 -0.200 0.000 1.012 47 T CB 1.298 70.075 68.868 -0.153 0.000 1.221 47 T HN 0.709 nan 8.240 nan 0.000 0.499 48 N N 2.666 121.302 118.700 -0.107 0.000 2.411 48 N HA 0.267 5.007 4.740 0.001 0.000 0.259 48 N C -1.527 173.968 175.510 -0.025 0.000 1.103 48 N CA -0.039 52.960 53.050 -0.085 0.000 0.954 48 N CB 0.253 38.693 38.487 -0.078 0.000 1.085 48 N HN 0.468 nan 8.380 nan 0.000 0.485 49 F N 3.612 123.417 119.950 -0.242 0.000 2.460 49 F HA 0.445 4.972 4.527 0.001 0.000 0.341 49 F C 0.489 176.178 175.800 -0.186 0.000 1.130 49 F CA -0.721 57.139 58.000 -0.232 0.000 0.962 49 F CB 0.852 39.643 39.000 -0.349 0.000 1.171 49 F HN 0.610 nan 8.300 nan 0.000 0.436 50 A N 4.262 126.652 122.820 -0.718 0.000 2.511 50 A HA 0.117 4.437 4.320 0.001 0.000 0.297 50 A C 1.590 178.985 177.584 -0.316 0.000 1.476 50 A CA 1.496 53.176 52.037 -0.594 0.000 0.757 50 A CB -2.083 16.399 19.000 -0.864 0.000 1.072 50 A HN 2.614 nan 8.150 nan 0.000 0.413 51 G N -2.403 106.269 108.800 -0.214 0.000 2.159 51 G HA2 -0.151 3.809 3.960 0.001 0.000 0.256 51 G HA3 -0.151 3.809 3.960 0.001 0.000 0.256 51 G C 0.274 175.103 174.900 -0.117 0.000 0.977 51 G CA 0.794 45.813 45.100 -0.136 0.000 0.652 51 G HN 2.389 nan 8.290 nan 0.000 0.531 52 I N -3.578 116.900 120.570 -0.153 0.000 3.108 52 I HA 0.739 4.909 4.170 0.001 0.000 0.312 52 I C -0.705 175.307 176.117 -0.175 0.000 1.095 52 I CA -1.743 59.465 61.300 -0.152 0.000 1.000 52 I CB 1.695 39.566 38.000 -0.216 0.000 1.229 52 I HN -0.163 nan 8.210 nan 0.000 0.454 53 N N 2.455 121.063 118.700 -0.154 0.000 2.457 53 N HA 0.524 5.265 4.740 0.001 0.000 0.250 53 N C -0.677 174.709 175.510 -0.207 0.000 0.982 53 N CA -0.321 52.640 53.050 -0.150 0.000 0.941 53 N CB 1.706 40.145 38.487 -0.080 0.000 1.120 53 N HN 0.601 nan 8.380 nan 0.000 0.505 54 V N -0.578 119.154 119.914 -0.303 0.000 2.881 54 V HA 0.592 4.712 4.120 0.001 0.000 0.316 54 V C 0.169 176.143 176.094 -0.200 0.000 1.070 54 V CA -0.960 61.127 62.300 -0.354 0.000 0.976 54 V CB 2.106 33.401 31.823 -0.880 0.000 1.038 54 V HN 0.301 nan 8.190 nan 0.000 0.446 55 E N 1.984 122.168 120.200 -0.026 0.000 2.259 55 E HA 0.353 4.703 4.350 0.001 0.000 0.281 55 E C 0.521 177.272 176.600 0.251 0.000 1.037 55 E CA -0.127 56.343 56.400 0.118 0.000 0.854 55 E CB 1.923 31.718 29.700 0.159 0.000 1.051 55 E HN 0.706 nan 8.360 nan 0.000 0.409 56 L N 1.585 122.979 121.223 0.285 0.000 2.131 56 L HA -0.003 4.338 4.340 0.001 0.000 0.206 56 L C 1.543 178.877 176.870 0.773 0.000 1.087 56 L CA 1.284 56.414 54.840 0.483 0.000 0.767 56 L CB -0.073 42.212 42.059 0.377 0.000 0.917 56 L HN 0.537 nan 8.230 nan 0.000 0.441 57 G N -0.941 108.234 108.800 0.625 0.000 3.365 57 G HA2 0.496 4.456 3.960 0.001 0.000 0.185 57 G HA3 0.496 4.456 3.960 0.001 0.000 0.185 57 G C -0.223 174.809 174.900 0.220 0.000 1.565 57 G CA 0.186 45.446 45.100 0.266 0.000 0.984 57 G HN 0.226 nan 8.290 nan 0.000 0.604 58 A N -0.637 122.259 122.820 0.127 0.000 2.531 58 A HA 0.337 4.657 4.320 0.001 0.000 0.236 58 A C 0.645 178.457 177.584 0.379 0.000 1.062 58 A CA 0.864 53.032 52.037 0.217 0.000 0.760 58 A CB 0.021 19.086 19.000 0.108 0.000 0.995 58 A HN 0.717 nan 8.150 nan 0.000 0.501 59 N N -0.073 118.831 118.700 0.340 0.000 2.166 59 N HA 0.120 4.860 4.740 0.001 0.000 0.222 59 N C -0.755 174.503 175.510 -0.421 0.000 1.282 59 N CA -0.253 52.722 53.050 -0.125 0.000 0.890 59 N CB 0.361 38.620 38.487 -0.380 0.000 1.114 59 N HN 0.768 nan 8.380 nan 0.000 0.494 60 W N 2.114 123.442 121.300 0.046 0.000 2.632 60 W HA 0.466 5.126 4.660 0.001 0.000 0.328 60 W C -0.635 175.969 176.519 0.142 0.000 1.044 60 W CA -0.601 56.785 57.345 0.070 0.000 1.225 60 W CB 1.442 31.020 29.460 0.197 0.000 1.396 60 W HN -0.372 nan 8.180 nan 0.000 0.499 61 V N 3.117 123.213 119.914 0.303 0.000 2.439 61 V HA 0.040 4.160 4.120 0.001 0.000 0.271 61 V C 0.217 176.520 176.094 0.348 0.000 1.040 61 V CA 0.072 62.593 62.300 0.368 0.000 1.002 61 V CB 0.307 32.362 31.823 0.386 0.000 1.000 61 V HN 0.379 nan 8.190 nan 0.000 0.477 62 E N 3.703 124.091 120.200 0.315 0.000 2.129 62 E HA 0.569 4.920 4.350 0.001 0.000 0.268 62 E C 0.453 177.092 176.600 0.065 0.000 0.900 62 E CA -0.171 56.369 56.400 0.233 0.000 0.755 62 E CB 1.745 31.556 29.700 0.185 0.000 1.117 62 E HN 0.998 nan 8.360 nan 0.000 0.410 63 G N 1.821 110.712 108.800 0.152 0.000 2.858 63 G HA2 -0.127 3.834 3.960 0.001 0.000 0.272 63 G HA3 -0.127 3.834 3.960 0.001 0.000 0.272 63 G C -0.657 174.221 174.900 -0.036 0.000 1.003 63 G CA -0.605 44.559 45.100 0.107 0.000 1.241 63 G HN 0.340 nan 8.290 nan 0.000 0.569 64 V N 2.357 122.232 119.914 -0.065 0.000 2.962 64 V HA 0.732 4.853 4.120 0.001 0.000 0.313 64 V C 0.693 176.714 176.094 -0.120 0.000 1.099 64 V CA -0.426 61.691 62.300 -0.305 0.000 0.971 64 V CB 1.985 33.316 31.823 -0.821 0.000 1.028 64 V HN 0.889 nan 8.190 nan 0.000 0.430 65 N N 1.056 119.680 118.700 -0.127 0.000 2.815 65 N HA -0.131 4.610 4.740 0.001 0.000 0.249 65 N C 0.153 175.677 175.510 0.025 0.000 1.114 65 N CA 1.089 54.129 53.050 -0.018 0.000 0.717 65 N CB -0.932 37.568 38.487 0.021 0.000 1.074 65 N HN 1.043 nan 8.380 nan 0.000 0.555 66 G N -0.836 107.991 108.800 0.044 0.000 2.828 66 G HA2 0.599 4.559 3.960 0.001 0.000 0.244 66 G HA3 0.599 4.559 3.960 0.001 0.000 0.244 66 G C 1.032 175.968 174.900 0.060 0.000 1.365 66 G CA 0.067 45.200 45.100 0.056 0.000 1.041 66 G HN 0.111 nan 8.290 nan 0.000 0.560 67 G N -1.249 107.580 108.800 0.048 0.000 2.484 67 G HA2 0.119 4.079 3.960 0.001 0.000 0.218 67 G HA3 0.119 4.079 3.960 0.001 0.000 0.218 67 G C 0.710 175.652 174.900 0.070 0.000 1.130 67 G CA 0.617 45.743 45.100 0.044 0.000 0.784 67 G HN 0.417 nan 8.290 nan 0.000 0.543 68 K N -0.784 119.687 120.400 0.119 0.000 2.375 68 K HA 0.511 4.831 4.320 0.001 0.000 0.249 68 K C -1.068 175.718 176.600 0.310 0.000 0.942 68 K CA -1.041 55.366 56.287 0.200 0.000 0.806 68 K CB 2.177 34.793 32.500 0.194 0.000 1.227 68 K HN 0.004 nan 8.250 nan 0.000 0.430 69 M N 3.423 123.145 119.600 0.203 0.000 2.156 69 M HA 0.142 4.623 4.480 0.001 0.000 0.345 69 M C -0.453 175.732 176.300 -0.192 0.000 1.398 69 M CA -0.415 54.923 55.300 0.064 0.000 1.148 69 M CB -0.066 32.564 32.600 0.049 0.000 1.663 69 M HN 0.371 nan 8.290 nan 0.000 0.464 70 N N 7.553 125.914 118.700 -0.564 0.000 2.414 70 N HA 0.024 4.764 4.740 0.001 0.000 0.268 70 N C -1.872 173.314 175.510 -0.540 0.000 1.286 70 N CA -1.068 51.244 53.050 -1.230 0.000 0.896 70 N CB 0.842 38.756 38.487 -0.955 0.000 1.093 70 N HN 0.464 nan 8.380 nan 0.000 0.480 71 P HA -0.156 nan 4.420 nan 0.000 0.219 71 P C 1.423 178.547 177.300 -0.293 0.000 1.146 71 P CA 0.803 63.753 63.100 -0.250 0.000 0.808 71 P CB 0.350 31.990 31.700 -0.100 0.000 0.779 72 I N -1.702 118.716 120.570 -0.254 0.000 2.546 72 I HA -0.136 4.035 4.170 0.001 0.000 0.255 72 I C 2.479 178.591 176.117 -0.009 0.000 1.163 72 I CA 0.591 61.813 61.300 -0.129 0.000 1.457 72 I CB -1.605 36.420 38.000 0.042 0.000 1.092 72 I HN 0.134 nan 8.210 nan 0.000 0.434 73 W N 3.155 124.325 121.300 -0.217 0.000 2.407 73 W HA -0.107 4.553 4.660 0.001 0.000 0.305 73 W C -0.700 175.712 176.519 -0.179 0.000 1.196 73 W CA 1.103 58.333 57.345 -0.193 0.000 1.311 73 W CB -1.130 28.196 29.460 -0.223 0.000 1.135 73 W HN 0.061 nan 8.180 nan 0.000 0.514 74 P HA -0.215 nan 4.420 nan 0.000 0.216 74 P C 1.641 178.735 177.300 -0.342 0.000 1.150 74 P CA 2.163 65.077 63.100 -0.311 0.000 0.837 74 P CB -0.323 31.285 31.700 -0.153 0.000 0.786 75 I N -1.404 119.003 120.570 -0.270 0.000 2.163 75 I HA -0.220 3.950 4.170 0.001 0.000 0.243 75 I C 2.227 178.143 176.117 -0.335 0.000 1.085 75 I CA 1.449 62.580 61.300 -0.282 0.000 1.347 75 I CB -0.950 36.943 38.000 -0.177 0.000 1.044 75 I HN -0.164 nan 8.210 nan 0.000 0.408 76 V N 0.897 120.612 119.914 -0.333 0.000 2.270 76 V HA -0.249 3.871 4.120 0.001 0.000 0.245 76 V C 2.135 177.898 176.094 -0.552 0.000 1.043 76 V CA 2.324 64.412 62.300 -0.353 0.000 1.014 76 V CB -0.749 30.929 31.823 -0.242 0.000 0.645 76 V HN 0.428 nan 8.190 nan 0.000 0.447 77 N N -0.869 117.282 118.700 -0.915 0.000 2.395 77 N HA -0.046 4.694 4.740 0.001 0.000 0.175 77 N C 1.797 176.976 175.510 -0.551 0.000 1.029 77 N CA 1.280 53.767 53.050 -0.937 0.000 0.897 77 N CB 0.266 37.773 38.487 -1.632 0.000 0.991 77 N HN 0.395 nan 8.380 nan 0.000 0.441 78 S N -1.792 113.626 115.700 -0.470 0.000 2.655 78 S HA 0.089 4.560 4.470 0.001 0.000 0.231 78 S C 1.723 176.165 174.600 -0.263 0.000 1.044 78 S CA 0.498 58.515 58.200 -0.305 0.000 0.910 78 S CB -0.388 62.662 63.200 -0.250 0.000 0.833 78 S HN 0.230 nan 8.310 nan 0.000 0.581 79 T N 3.337 117.713 114.554 -0.297 0.000 2.643 79 T HA 0.062 4.413 4.350 0.001 0.000 0.264 79 T C 1.612 176.123 174.700 -0.316 0.000 1.045 79 T CA 1.215 63.125 62.100 -0.317 0.000 1.155 79 T CB -0.414 68.172 68.868 -0.470 0.000 0.863 79 T HN 0.171 nan 8.240 nan 0.000 0.420 80 L N -0.167 120.852 121.223 -0.341 0.000 2.529 80 L HA 0.255 4.595 4.340 0.001 0.000 0.223 80 L C 0.522 177.273 176.870 -0.197 0.000 1.113 80 L CA 0.018 54.704 54.840 -0.257 0.000 0.861 80 L CB -0.254 41.662 42.059 -0.239 0.000 1.012 80 L HN 0.209 nan 8.230 nan 0.000 0.461 81 K N 1.970 122.231 120.400 -0.232 0.000 3.730 81 K HA -0.175 4.146 4.320 0.001 0.000 0.276 81 K C -0.422 176.070 176.600 -0.180 0.000 0.904 81 K CA 0.271 56.429 56.287 -0.215 0.000 0.741 81 K CB -1.373 31.029 32.500 -0.164 0.000 1.542 81 K HN 0.310 nan 8.250 nan 0.000 0.446 82 L N 1.023 122.128 121.223 -0.195 0.000 2.380 82 L HA 0.164 4.505 4.340 0.001 0.000 0.273 82 L C 1.192 177.964 176.870 -0.164 0.000 1.138 82 L CA -0.326 54.427 54.840 -0.145 0.000 0.832 82 L CB 0.607 42.593 42.059 -0.121 0.000 1.124 82 L HN 0.280 nan 8.230 nan 0.000 0.454 83 R N 3.455 123.876 120.500 -0.132 0.000 2.446 83 R HA 0.029 4.369 4.340 0.001 0.000 0.314 83 R C -0.662 175.492 176.300 -0.243 0.000 1.003 83 R CA 0.121 56.108 56.100 -0.189 0.000 1.018 83 R CB 0.024 30.261 30.300 -0.104 0.000 0.945 83 R HN 0.848 nan 8.270 nan 0.000 0.419 84 N N 2.624 121.087 118.700 -0.395 0.000 2.494 84 N HA 0.408 5.149 4.740 0.001 0.000 0.270 84 N C -1.663 173.575 175.510 -0.452 0.000 1.285 84 N CA -0.801 52.110 53.050 -0.232 0.000 0.812 84 N CB 1.159 39.707 38.487 0.102 0.000 1.557 84 N HN 0.243 nan 8.380 nan 0.000 0.487 85 F N -0.798 119.354 119.950 0.338 0.000 2.561 85 F HA 0.476 5.003 4.527 0.001 0.000 0.313 85 F C 0.512 176.379 175.800 0.111 0.000 1.126 85 F CA -0.971 57.169 58.000 0.233 0.000 0.918 85 F CB 2.172 41.242 39.000 0.116 0.000 1.199 85 F HN 0.358 nan 8.300 nan 0.000 0.444 86 R N 1.577 122.056 120.500 -0.035 0.000 2.489 86 R HA 0.262 4.603 4.340 0.001 0.000 0.287 86 R C -0.485 175.764 176.300 -0.085 0.000 1.053 86 R CA 0.117 55.855 56.100 -0.603 0.000 1.036 86 R CB 0.607 30.476 30.300 -0.719 0.000 0.966 86 R HN 0.676 nan 8.270 nan 0.000 0.432 87 S N 3.029 118.748 115.700 0.032 0.000 2.465 87 S HA 0.036 4.506 4.470 0.001 0.000 0.279 87 S C -0.562 173.965 174.600 -0.122 0.000 1.201 87 S CA -0.482 57.792 58.200 0.124 0.000 1.053 87 S CB 0.997 64.416 63.200 0.365 0.000 0.953 87 S HN 0.490 nan 8.310 nan 0.000 0.488 88 D N 1.846 122.183 120.400 -0.104 0.000 2.280 88 D HA 0.300 4.940 4.640 0.001 0.000 0.236 88 D C -0.565 175.644 176.300 -0.151 0.000 1.082 88 D CA -0.590 53.373 54.000 -0.061 0.000 0.834 88 D CB 0.445 41.296 40.800 0.086 0.000 1.100 88 D HN 0.414 nan 8.370 nan 0.000 0.486 89 F N 1.286 121.306 119.950 0.117 0.000 2.639 89 F HA 0.160 4.687 4.527 0.001 0.000 0.302 89 F C 1.568 177.355 175.800 -0.022 0.000 1.097 89 F CA -0.508 57.525 58.000 0.054 0.000 1.294 89 F CB 0.642 39.625 39.000 -0.029 0.000 1.027 89 F HN 0.244 nan 8.300 nan 0.000 0.550 90 D N -0.471 119.942 120.400 0.022 0.000 2.350 90 D HA -0.147 4.493 4.640 0.001 0.000 0.216 90 D C 0.763 176.781 176.300 -0.469 0.000 0.968 90 D CA 1.380 55.212 54.000 -0.279 0.000 0.894 90 D CB -0.103 40.396 40.800 -0.501 0.000 0.909 90 D HN 0.382 nan 8.370 nan 0.000 0.520 91 Y N -0.523 119.818 120.300 0.069 0.000 2.660 91 Y HA 0.283 4.834 4.550 0.001 0.000 0.254 91 Y C 1.810 177.746 175.900 0.061 0.000 1.176 91 Y CA -0.312 57.820 58.100 0.055 0.000 1.195 91 Y CB 0.177 38.669 38.460 0.053 0.000 1.190 91 Y HN -0.163 nan 8.280 nan 0.000 0.535 92 L N -0.104 121.198 121.223 0.133 0.000 2.081 92 L HA -0.289 4.051 4.340 0.001 0.000 0.212 92 L C 2.560 179.467 176.870 0.061 0.000 1.080 92 L CA 1.426 56.312 54.840 0.077 0.000 0.754 92 L CB -0.374 41.621 42.059 -0.107 0.000 0.893 92 L HN 0.423 nan 8.230 nan 0.000 0.433 93 A N -0.697 122.141 122.820 0.031 0.000 1.978 93 A HA -0.263 4.058 4.320 0.001 0.000 0.220 93 A C 2.100 179.719 177.584 0.058 0.000 1.170 93 A CA 1.573 53.621 52.037 0.018 0.000 0.636 93 A CB -0.392 18.606 19.000 -0.002 0.000 0.810 93 A HN 0.545 nan 8.150 nan 0.000 0.448 94 Q N -0.680 119.177 119.800 0.095 0.000 2.451 94 Q HA 0.057 4.398 4.340 0.001 0.000 0.206 94 Q C 0.122 176.151 176.000 0.048 0.000 0.947 94 Q CA 0.447 56.297 55.803 0.079 0.000 0.937 94 Q CB 0.135 28.939 28.738 0.111 0.000 1.025 94 Q HN 0.629 nan 8.270 nan 0.000 0.511 95 N N 0.026 118.787 118.700 0.100 0.000 2.433 95 N HA 0.134 4.875 4.740 0.001 0.000 0.270 95 N C -1.227 174.439 175.510 0.260 0.000 1.354 95 N CA 0.109 53.262 53.050 0.172 0.000 0.889 95 N CB 1.845 40.527 38.487 0.326 0.000 1.285 95 N HN -0.095 nan 8.380 nan 0.000 0.503 96 V N 2.021 122.012 119.914 0.129 0.000 2.350 96 V HA 0.312 4.432 4.120 0.001 0.000 0.276 96 V C -0.549 175.698 176.094 0.254 0.000 1.028 96 V CA -0.509 61.939 62.300 0.248 0.000 0.860 96 V CB 0.240 32.145 31.823 0.136 0.000 0.990 96 V HN 0.108 nan 8.190 nan 0.000 0.453 97 Y N 3.535 124.014 120.300 0.297 0.000 2.323 97 Y HA 0.410 4.961 4.550 0.001 0.000 0.331 97 Y C 0.918 176.967 175.900 0.247 0.000 1.092 97 Y CA -0.811 57.416 58.100 0.212 0.000 1.150 97 Y CB 1.038 39.585 38.460 0.144 0.000 1.200 97 Y HN 0.496 nan 8.280 nan 0.000 0.472 98 K N 2.224 122.685 120.400 0.101 0.000 2.326 98 K HA 0.015 4.335 4.320 0.001 0.000 0.275 98 K C 0.932 177.588 176.600 0.094 0.000 1.018 98 K CA -0.377 55.886 56.287 -0.041 0.000 0.962 98 K CB 0.988 33.251 32.500 -0.396 0.000 0.953 98 K HN 0.808 nan 8.250 nan 0.000 0.475 99 E N 1.469 121.668 120.200 -0.002 0.000 2.136 99 E HA -0.242 4.109 4.350 0.001 0.000 0.202 99 E C -0.339 176.395 176.600 0.224 0.000 1.019 99 E CA 1.451 57.855 56.400 0.007 0.000 0.819 99 E CB 0.267 29.949 29.700 -0.030 0.000 0.739 99 E HN 0.450 nan 8.360 nan 0.000 0.458 100 D N -1.763 118.692 120.400 0.092 0.000 2.575 100 D HA 0.297 4.938 4.640 0.001 0.000 0.250 100 D C -0.636 175.668 176.300 0.006 0.000 1.279 100 D CA 0.350 54.391 54.000 0.068 0.000 0.925 100 D CB 1.587 42.413 40.800 0.044 0.000 1.261 100 D HN 0.273 nan 8.370 nan 0.000 0.567 101 G N 1.951 110.753 108.800 0.003 0.000 2.455 101 G HA2 0.320 4.281 3.960 0.001 0.000 0.169 101 G HA3 0.320 4.281 3.960 0.001 0.000 0.169 101 G C 0.557 175.406 174.900 -0.084 0.000 1.074 101 G CA 0.011 45.085 45.100 -0.043 0.000 0.796 101 G HN 1.061 nan 8.290 nan 0.000 0.489 102 G N -2.073 106.698 108.800 -0.048 0.000 2.632 102 G HA2 0.291 4.252 3.960 0.001 0.000 0.224 102 G HA3 0.291 4.252 3.960 0.001 0.000 0.224 102 G C 0.500 175.264 174.900 -0.226 0.000 1.341 102 G CA 0.471 45.516 45.100 -0.093 0.000 0.880 102 G HN 2.035 nan 8.290 nan 0.000 0.566 103 V N -2.073 117.631 119.914 -0.350 0.000 2.785 103 V HA 0.741 4.862 4.120 0.001 0.000 0.300 103 V C 0.492 176.452 176.094 -0.223 0.000 1.062 103 V CA -1.160 60.900 62.300 -0.400 0.000 1.029 103 V CB 1.089 32.630 31.823 -0.471 0.000 1.024 103 V HN 0.876 nan 8.190 nan 0.000 0.477 104 Y N -0.091 120.153 120.300 -0.093 0.000 2.298 104 Y HA 0.334 4.884 4.550 0.000 0.000 0.329 104 Y C 0.885 176.796 175.900 0.019 0.000 1.293 104 Y CA -0.170 57.938 58.100 0.014 0.000 1.388 104 Y CB 0.340 38.884 38.460 0.139 0.000 1.309 104 Y HN 0.646 nan 8.280 nan 0.000 0.544 105 D N 1.663 122.201 120.400 0.231 0.000 2.434 105 D HA -0.067 4.573 4.640 0.001 0.000 0.252 105 D C 1.145 177.549 176.300 0.173 0.000 1.185 105 D CA 0.350 54.442 54.000 0.154 0.000 0.886 105 D CB 0.764 41.642 40.800 0.129 0.000 1.148 105 D HN 0.727 nan 8.370 nan 0.000 0.483 106 E N 2.495 122.755 120.200 0.100 0.000 2.108 106 E HA -0.328 4.022 4.350 0.001 0.000 0.203 106 E C 0.941 177.584 176.600 0.071 0.000 1.022 106 E CA 1.702 58.148 56.400 0.076 0.000 0.823 106 E CB 0.171 29.907 29.700 0.060 0.000 0.744 106 E HN 0.345 nan 8.360 nan 0.000 0.456 107 D N -1.079 119.371 120.400 0.084 0.000 2.117 107 D HA -0.183 4.457 4.640 0.001 0.000 0.197 107 D C 1.701 178.058 176.300 0.096 0.000 0.987 107 D CA 1.177 55.221 54.000 0.074 0.000 0.829 107 D CB -0.357 40.487 40.800 0.073 0.000 0.961 107 D HN 0.373 nan 8.370 nan 0.000 0.460 108 Y N 0.671 120.983 120.300 0.020 0.000 2.145 108 Y HA -0.187 4.363 4.550 0.000 0.000 0.286 108 Y C 2.063 177.954 175.900 -0.016 0.000 1.145 108 Y CA 1.300 59.408 58.100 0.015 0.000 1.148 108 Y CB -0.499 37.989 38.460 0.047 0.000 0.981 108 Y HN -0.123 nan 8.280 nan 0.000 0.507 109 V N 0.432 120.228 119.914 -0.197 0.000 2.427 109 V HA -0.264 3.856 4.120 0.001 0.000 0.248 109 V C 2.333 178.297 176.094 -0.216 0.000 1.051 109 V CA 1.952 64.067 62.300 -0.308 0.000 1.048 109 V CB -0.897 30.846 31.823 -0.135 0.000 0.666 109 V HN 0.321 nan 8.190 nan 0.000 0.456 110 Q N 0.774 120.506 119.800 -0.114 0.000 2.135 110 Q HA -0.197 4.143 4.340 0.001 0.000 0.204 110 Q C 2.177 178.117 176.000 -0.099 0.000 0.981 110 Q CA 1.783 57.536 55.803 -0.083 0.000 0.856 110 Q CB -0.299 28.416 28.738 -0.040 0.000 0.902 110 Q HN 0.576 nan 8.270 nan 0.000 0.425 111 K N -0.369 119.961 120.400 -0.117 0.000 2.002 111 K HA -0.115 4.206 4.320 0.001 0.000 0.209 111 K C 1.975 178.494 176.600 -0.135 0.000 1.048 111 K CA 1.186 57.411 56.287 -0.103 0.000 0.930 111 K CB -0.151 32.302 32.500 -0.079 0.000 0.714 111 K HN 0.126 nan 8.250 nan 0.000 0.438 112 R N 1.064 121.422 120.500 -0.237 0.000 2.091 112 R HA -0.075 4.265 4.340 0.001 0.000 0.238 112 R C 2.345 178.566 176.300 -0.132 0.000 1.136 112 R CA 1.179 57.148 56.100 -0.218 0.000 0.959 112 R CB -1.027 29.061 30.300 -0.354 0.000 0.856 112 R HN 0.307 nan 8.270 nan 0.000 0.437 113 I N 0.965 121.457 120.570 -0.130 0.000 2.142 113 I HA -0.243 3.927 4.170 0.001 0.000 0.240 113 I C 2.197 178.279 176.117 -0.058 0.000 1.078 113 I CA 1.410 62.660 61.300 -0.083 0.000 1.343 113 I CB -0.305 37.643 38.000 -0.087 0.000 1.046 113 I HN 0.201 nan 8.210 nan 0.000 0.405 114 E N 0.365 120.529 120.200 -0.060 0.000 2.110 114 E HA -0.230 4.120 4.350 0.001 0.000 0.193 114 E C 2.154 178.736 176.600 -0.029 0.000 0.988 114 E CA 0.898 57.273 56.400 -0.041 0.000 0.804 114 E CB -0.061 29.616 29.700 -0.039 0.000 0.745 114 E HN 0.280 nan 8.360 nan 0.000 0.458 115 L N 0.774 121.976 121.223 -0.034 0.000 2.017 115 L HA -0.134 4.207 4.340 0.001 0.000 0.208 115 L C 2.276 179.146 176.870 -0.001 0.000 1.073 115 L CA 2.075 56.904 54.840 -0.018 0.000 0.745 115 L CB -1.239 40.803 42.059 -0.029 0.000 0.894 115 L HN 0.073 nan 8.230 nan 0.000 0.432 116 A N -0.721 122.098 122.820 -0.001 0.000 1.933 116 A HA -0.209 4.111 4.320 0.001 0.000 0.218 116 A C 1.908 179.514 177.584 0.036 0.000 1.175 116 A CA 1.703 53.760 52.037 0.033 0.000 0.628 116 A CB -0.563 18.457 19.000 0.033 0.000 0.814 116 A HN 0.456 nan 8.150 nan 0.000 0.444 117 D N 0.132 120.534 120.400 0.002 0.000 2.144 117 D HA -0.106 4.534 4.640 0.001 0.000 0.199 117 D C 2.434 178.739 176.300 0.008 0.000 0.984 117 D CA 1.729 55.725 54.000 -0.007 0.000 0.834 117 D CB -0.227 40.557 40.800 -0.027 0.000 0.955 117 D HN 0.577 nan 8.370 nan 0.000 0.465 118 S N -0.352 115.353 115.700 0.008 0.000 2.414 118 S HA -0.047 4.423 4.470 0.001 0.000 0.227 118 S C 2.243 176.855 174.600 0.019 0.000 1.022 118 S CA 0.316 58.522 58.200 0.009 0.000 0.958 118 S CB -0.486 62.717 63.200 0.004 0.000 0.797 118 S HN 0.070 nan 8.310 nan 0.000 0.493 119 V N 2.534 122.466 119.914 0.029 0.000 2.343 119 V HA -0.196 3.925 4.120 0.001 0.000 0.247 119 V C 2.782 178.907 176.094 0.051 0.000 1.051 119 V CA 2.248 64.568 62.300 0.033 0.000 1.036 119 V CB -0.800 31.047 31.823 0.040 0.000 0.654 119 V HN 0.607 nan 8.190 nan 0.000 0.451 120 E N 0.010 120.265 120.200 0.092 0.000 2.106 120 E HA -0.233 4.117 4.350 0.001 0.000 0.192 120 E C 2.187 178.830 176.600 0.071 0.000 0.984 120 E CA 1.288 57.768 56.400 0.133 0.000 0.806 120 E CB -0.040 29.776 29.700 0.193 0.000 0.750 120 E HN 0.702 nan 8.360 nan 0.000 0.458 121 E N -0.203 120.020 120.200 0.039 0.000 2.077 121 E HA -0.186 4.164 4.350 0.001 0.000 0.193 121 E C 2.069 178.675 176.600 0.011 0.000 0.989 121 E CA 0.983 57.395 56.400 0.018 0.000 0.800 121 E CB -0.006 29.697 29.700 0.006 0.000 0.746 121 E HN 0.304 nan 8.360 nan 0.000 0.452 122 M N -0.087 119.519 119.600 0.010 0.000 2.159 122 M HA -0.086 4.394 4.480 0.001 0.000 0.263 122 M C 2.345 178.641 176.300 -0.008 0.000 1.063 122 M CA 1.343 56.642 55.300 -0.002 0.000 1.110 122 M CB -1.246 31.350 32.600 -0.006 0.000 1.374 122 M HN 0.197 nan 8.290 nan 0.000 0.411 123 G N -0.428 108.373 108.800 0.001 0.000 2.402 123 G HA2 -0.189 3.772 3.960 0.001 0.000 0.216 123 G HA3 -0.189 3.772 3.960 0.001 0.000 0.216 123 G C 1.517 176.410 174.900 -0.011 0.000 1.162 123 G CA 0.539 45.632 45.100 -0.011 0.000 0.777 123 G HN 0.494 nan 8.290 nan 0.000 0.539 124 E N 0.434 120.638 120.200 0.006 0.000 2.085 124 E HA -0.126 4.224 4.350 0.001 0.000 0.194 124 E C 2.538 179.128 176.600 -0.018 0.000 0.994 124 E CA 1.047 57.446 56.400 -0.002 0.000 0.801 124 E CB -0.064 29.642 29.700 0.010 0.000 0.743 124 E HN 0.385 nan 8.360 nan 0.000 0.453 125 K N 0.434 120.825 120.400 -0.015 0.000 2.026 125 K HA -0.167 4.153 4.320 0.001 0.000 0.208 125 K C 2.253 178.837 176.600 -0.027 0.000 1.048 125 K CA 0.873 57.147 56.287 -0.020 0.000 0.929 125 K CB -0.243 32.248 32.500 -0.015 0.000 0.713 125 K HN 0.033 nan 8.250 nan 0.000 0.439 126 L N 1.240 122.447 121.223 -0.027 0.000 2.012 126 L HA -0.216 4.125 4.340 0.001 0.000 0.210 126 L C 2.404 179.252 176.870 -0.038 0.000 1.073 126 L CA 1.737 56.559 54.840 -0.031 0.000 0.748 126 L CB -0.775 41.263 42.059 -0.035 0.000 0.891 126 L HN 0.063 nan 8.230 nan 0.000 0.431 127 S N -0.862 114.810 115.700 -0.046 0.000 2.365 127 S HA -0.241 4.229 4.470 0.001 0.000 0.225 127 S C 2.135 176.698 174.600 -0.062 0.000 1.039 127 S CA 1.339 59.502 58.200 -0.062 0.000 1.033 127 S CB -0.577 62.582 63.200 -0.068 0.000 0.887 127 S HN 0.679 nan 8.310 nan 0.000 0.447 128 A N 0.254 123.041 122.820 -0.055 0.000 2.084 128 A HA -0.113 4.207 4.320 0.001 0.000 0.221 128 A C 2.262 179.807 177.584 -0.065 0.000 1.161 128 A CA 2.301 54.303 52.037 -0.059 0.000 0.653 128 A CB -1.102 17.869 19.000 -0.049 0.000 0.802 128 A HN 0.761 nan 8.150 nan 0.000 0.457 129 T N -2.721 111.799 114.554 -0.057 0.000 3.060 129 T HA 0.413 4.763 4.350 0.001 0.000 0.249 129 T C 0.494 175.153 174.700 -0.069 0.000 1.079 129 T CA -0.290 61.771 62.100 -0.066 0.000 1.013 129 T CB -0.500 68.344 68.868 -0.041 0.000 0.975 129 T HN 0.221 nan 8.240 nan 0.000 0.518 130 L N 2.207 123.406 121.223 -0.039 0.000 2.452 130 L HA 0.340 4.680 4.340 0.001 0.000 0.267 130 L C 0.858 177.731 176.870 0.004 0.000 1.188 130 L CA -0.884 53.971 54.840 0.024 0.000 0.821 130 L CB 0.252 42.315 42.059 0.007 0.000 1.102 130 L HN 0.305 nan 8.230 nan 0.000 0.470 131 H N 1.224 120.278 119.070 -0.028 0.000 2.732 131 H HA 0.031 4.588 4.556 0.001 0.000 0.351 131 H C 0.789 176.108 175.328 -0.015 0.000 1.090 131 H CA 0.056 56.092 56.048 -0.019 0.000 1.431 131 H CB 1.291 31.045 29.762 -0.013 0.000 1.447 131 H HN 0.853 nan 8.280 nan 0.000 0.582 132 A N 2.650 125.516 122.820 0.076 0.000 2.024 132 A HA -0.212 4.108 4.320 0.001 0.000 0.220 132 A C 2.302 179.936 177.584 0.083 0.000 1.164 132 A CA 1.763 53.833 52.037 0.054 0.000 0.643 132 A CB -0.635 18.390 19.000 0.042 0.000 0.806 132 A HN 0.755 nan 8.150 nan 0.000 0.451 133 S N -1.502 114.258 115.700 0.099 0.000 2.595 133 S HA 0.264 4.734 4.470 0.001 0.000 0.235 133 S C 1.613 176.266 174.600 0.089 0.000 0.974 133 S CA 1.126 59.378 58.200 0.087 0.000 0.942 133 S CB -0.805 62.428 63.200 0.055 0.000 0.766 133 S HN 1.914 nan 8.310 nan 0.000 0.536 134 G N 2.350 111.198 108.800 0.080 0.000 2.196 134 G HA2 -0.455 3.506 3.960 0.001 0.000 0.268 134 G HA3 -0.455 3.506 3.960 0.001 0.000 0.268 134 G C 0.906 175.831 174.900 0.041 0.000 0.975 134 G CA 0.679 45.814 45.100 0.059 0.000 0.648 134 G HN 0.617 nan 8.290 nan 0.000 0.538 135 R N 1.045 121.562 120.500 0.027 0.000 2.153 135 R HA -0.205 4.136 4.340 0.001 0.000 0.252 135 R C 1.342 177.628 176.300 -0.025 0.000 1.158 135 R CA 2.318 58.410 56.100 -0.014 0.000 0.975 135 R CB -0.345 29.914 30.300 -0.068 0.000 0.871 135 R HN 0.536 nan 8.270 nan 0.000 0.450 136 D N -0.681 119.710 120.400 -0.015 0.000 2.593 136 D HA 0.063 4.703 4.640 0.001 0.000 0.241 136 D C -0.452 175.843 176.300 -0.008 0.000 1.257 136 D CA -0.489 53.502 54.000 -0.015 0.000 0.828 136 D CB -0.088 40.705 40.800 -0.011 0.000 1.049 136 D HN 0.087 nan 8.370 nan 0.000 0.490 137 D N 1.225 121.618 120.400 -0.012 0.000 2.358 137 D HA 0.446 5.086 4.640 0.001 0.000 0.244 137 D C 0.297 176.573 176.300 -0.040 0.000 1.163 137 D CA -0.203 53.776 54.000 -0.034 0.000 0.945 137 D CB 0.901 41.678 40.800 -0.038 0.000 1.152 137 D HN 0.226 nan 8.370 nan 0.000 0.451 138 M N -0.985 118.577 119.600 -0.063 0.000 2.813 138 M HA 0.415 4.895 4.480 0.001 0.000 0.270 138 M C -0.785 175.459 176.300 -0.093 0.000 1.267 138 M CA -1.027 54.233 55.300 -0.066 0.000 0.822 138 M CB 1.460 34.020 32.600 -0.065 0.000 1.671 138 M HN 0.283 nan 8.290 nan 0.000 0.468 139 S N 0.162 115.806 115.700 -0.094 0.000 2.603 139 S HA 0.395 4.865 4.470 0.001 0.000 0.268 139 S C 0.963 175.466 174.600 -0.162 0.000 1.317 139 S CA -0.756 57.369 58.200 -0.124 0.000 1.012 139 S CB 0.549 63.687 63.200 -0.105 0.000 0.926 139 S HN 0.742 nan 8.310 nan 0.000 0.539 140 I N 0.961 121.396 120.570 -0.225 0.000 2.248 140 I HA -0.191 3.979 4.170 0.001 0.000 0.248 140 I C 2.378 178.339 176.117 -0.261 0.000 1.107 140 I CA 1.212 62.326 61.300 -0.311 0.000 1.373 140 I CB -0.533 37.145 38.000 -0.538 0.000 1.055 140 I HN 0.650 nan 8.210 nan 0.000 0.418 141 L N 1.269 122.370 121.223 -0.204 0.000 2.046 141 L HA -0.165 4.175 4.340 0.001 0.000 0.208 141 L C 2.594 179.400 176.870 -0.107 0.000 1.077 141 L CA 2.148 56.904 54.840 -0.140 0.000 0.747 141 L CB -0.684 41.315 42.059 -0.099 0.000 0.896 141 L HN 0.177 nan 8.230 nan 0.000 0.432 142 A N -0.465 122.295 122.820 -0.100 0.000 1.902 142 A HA -0.242 4.079 4.320 0.001 0.000 0.217 142 A C 2.365 179.896 177.584 -0.088 0.000 1.181 142 A CA 2.074 54.063 52.037 -0.081 0.000 0.623 142 A CB -0.794 18.163 19.000 -0.072 0.000 0.818 142 A HN 0.589 nan 8.150 nan 0.000 0.443 143 M N -0.100 119.438 119.600 -0.102 0.000 2.080 143 M HA -0.230 4.250 4.480 0.001 0.000 0.260 143 M C 2.061 178.303 176.300 -0.096 0.000 1.068 143 M CA 2.199 57.440 55.300 -0.098 0.000 1.109 143 M CB -1.070 31.466 32.600 -0.105 0.000 1.342 143 M HN 0.589 nan 8.290 nan 0.000 0.405 144 Q N -0.387 119.352 119.800 -0.100 0.000 2.096 144 Q HA -0.181 4.159 4.340 0.001 0.000 0.204 144 Q C 2.175 178.129 176.000 -0.076 0.000 0.982 144 Q CA 1.726 57.483 55.803 -0.076 0.000 0.850 144 Q CB -0.208 28.487 28.738 -0.071 0.000 0.901 144 Q HN 0.577 nan 8.270 nan 0.000 0.422 145 R N 0.186 120.639 120.500 -0.078 0.000 2.083 145 R HA -0.168 4.173 4.340 0.001 0.000 0.237 145 R C 2.356 178.582 176.300 -0.123 0.000 1.137 145 R CA 1.163 57.218 56.100 -0.074 0.000 0.951 145 R CB -0.568 29.697 30.300 -0.057 0.000 0.851 145 R HN 0.205 nan 8.270 nan 0.000 0.434 146 L N 1.923 123.064 121.223 -0.137 0.000 1.989 146 L HA -0.201 4.139 4.340 0.001 0.000 0.211 146 L C 1.516 178.180 176.870 -0.343 0.000 1.071 146 L CA 1.866 56.589 54.840 -0.196 0.000 0.749 146 L CB -0.877 41.105 42.059 -0.128 0.000 0.890 146 L HN 0.153 nan 8.230 nan 0.000 0.431 147 N N -0.105 118.457 118.700 -0.230 0.000 2.188 147 N HA -0.159 4.582 4.740 0.001 0.000 0.184 147 N C 1.603 176.986 175.510 -0.213 0.000 1.018 147 N CA 1.613 54.536 53.050 -0.210 0.000 0.858 147 N CB -0.117 38.317 38.487 -0.089 0.000 0.989 147 N HN 0.602 nan 8.380 nan 0.000 0.426 148 E N -0.132 119.982 120.200 -0.143 0.000 2.435 148 E HA -0.021 4.329 4.350 0.001 0.000 0.195 148 E C -0.571 176.058 176.600 0.048 0.000 1.029 148 E CA -0.025 56.360 56.400 -0.025 0.000 0.865 148 E CB -0.068 29.629 29.700 -0.005 0.000 0.833 148 E HN 0.422 nan 8.360 nan 0.000 0.510 149 H N 0.582 119.652 119.070 -0.001 0.000 2.677 149 H HA -0.147 4.409 4.556 0.000 0.000 0.321 149 H C -0.520 174.808 175.328 0.000 0.000 1.171 149 H CA 0.516 56.564 56.048 -0.001 0.000 1.139 149 H CB -1.139 28.623 29.762 0.000 0.000 1.515 149 H HN 0.069 nan 8.280 nan 0.000 0.423 150 Q N -0.077 119.754 119.800 0.050 0.000 2.451 150 Q HA 0.274 4.615 4.340 0.001 0.000 0.281 150 Q C -1.851 174.158 176.000 0.015 0.000 1.099 150 Q CA -1.956 53.869 55.803 0.037 0.000 0.806 150 Q CB 1.734 30.488 28.738 0.026 0.000 1.419 150 Q HN 0.114 nan 8.270 nan 0.000 0.427 151 P HA -0.032 nan 4.420 nan 0.000 0.245 151 P C -0.622 176.678 177.300 -0.000 0.000 1.212 151 P CA 0.640 63.743 63.100 0.006 0.000 0.774 151 P CB 0.340 32.045 31.700 0.009 0.000 0.999 152 N N -2.270 116.430 118.700 0.001 0.000 2.610 152 N HA 0.503 5.243 4.740 0.001 0.000 0.264 152 N C -0.032 175.477 175.510 -0.001 0.000 1.348 152 N CA -0.919 52.131 53.050 -0.000 0.000 0.819 152 N CB 0.615 39.106 38.487 0.008 0.000 1.521 152 N HN -0.192 nan 8.380 nan 0.000 0.497 153 G N -0.854 107.945 108.800 -0.002 0.000 2.509 153 G HA2 0.463 4.424 3.960 0.001 0.000 0.269 153 G HA3 0.463 4.424 3.960 0.001 0.000 0.269 153 G C -2.414 172.499 174.900 0.021 0.000 1.416 153 G CA -1.629 43.472 45.100 0.002 0.000 1.052 153 G HN 0.527 nan 8.290 nan 0.000 0.542 154 P HA 0.226 nan 4.420 nan 0.000 0.258 154 P C -0.200 177.126 177.300 0.043 0.000 1.172 154 P CA 0.653 63.779 63.100 0.044 0.000 0.762 154 P CB 0.979 32.719 31.700 0.066 0.000 0.764 155 A N 2.439 125.281 122.820 0.035 0.000 2.610 155 A HA 0.377 4.698 4.320 0.001 0.000 0.290 155 A C 0.225 177.829 177.584 0.033 0.000 1.001 155 A CA 0.055 52.112 52.037 0.034 0.000 1.004 155 A CB 0.145 19.162 19.000 0.027 0.000 1.220 155 A HN 0.401 nan 8.150 nan 0.000 0.507 156 T N 0.181 114.755 114.554 0.033 0.000 2.916 156 T HA 0.436 4.786 4.350 0.001 0.000 0.298 156 T C -2.202 172.514 174.700 0.026 0.000 1.031 156 T CA -1.087 61.034 62.100 0.035 0.000 0.993 156 T CB 2.017 70.909 68.868 0.040 0.000 1.045 156 T HN -0.080 nan 8.240 nan 0.000 0.454 157 P HA -0.170 nan 4.420 nan 0.000 0.217 157 P C 1.546 178.834 177.300 -0.020 0.000 1.162 157 P CA 0.820 63.929 63.100 0.016 0.000 0.901 157 P CB 0.146 31.873 31.700 0.046 0.000 0.793 158 V N -0.262 119.610 119.914 -0.070 0.000 2.379 158 V HA -0.199 3.922 4.120 0.001 0.000 0.245 158 V C 1.776 177.803 176.094 -0.112 0.000 1.044 158 V CA 2.208 64.392 62.300 -0.193 0.000 1.036 158 V CB -1.072 30.494 31.823 -0.429 0.000 0.664 158 V HN 0.002 nan 8.190 nan 0.000 0.453 159 D N -0.421 119.940 120.400 -0.065 0.000 2.144 159 D HA -0.151 4.489 4.640 0.001 0.000 0.199 159 D C 2.159 178.478 176.300 0.032 0.000 0.984 159 D CA 1.730 55.714 54.000 -0.026 0.000 0.834 159 D CB -0.178 40.618 40.800 -0.007 0.000 0.955 159 D HN 0.433 nan 8.370 nan 0.000 0.465 160 M N -0.156 119.471 119.600 0.045 0.000 2.200 160 M HA -0.087 4.394 4.480 0.001 0.000 0.265 160 M C 2.356 178.739 176.300 0.139 0.000 1.066 160 M CA 0.618 55.974 55.300 0.094 0.000 1.127 160 M CB -0.024 32.622 32.600 0.077 0.000 1.379 160 M HN -0.117 nan 8.290 nan 0.000 0.420 161 V N 0.052 120.019 119.914 0.089 0.000 2.548 161 V HA -0.152 3.968 4.120 0.001 0.000 0.249 161 V C 2.142 178.339 176.094 0.171 0.000 1.055 161 V CA 1.273 63.645 62.300 0.119 0.000 1.065 161 V CB 0.026 31.883 31.823 0.057 0.000 0.681 161 V HN 0.243 nan 8.190 nan 0.000 0.462 162 V N 0.349 120.323 119.914 0.099 0.000 2.343 162 V HA -0.241 3.879 4.120 0.001 0.000 0.247 162 V C 2.332 178.526 176.094 0.167 0.000 1.051 162 V CA 2.455 64.819 62.300 0.107 0.000 1.036 162 V CB -0.765 31.066 31.823 0.014 0.000 0.654 162 V HN 0.667 nan 8.190 nan 0.000 0.451 163 D N -0.873 119.631 120.400 0.173 0.000 2.084 163 D HA -0.253 4.388 4.640 0.001 0.000 0.194 163 D C 2.042 178.501 176.300 0.266 0.000 0.990 163 D CA 1.663 55.807 54.000 0.240 0.000 0.826 163 D CB -0.296 40.637 40.800 0.222 0.000 0.971 163 D HN 0.503 nan 8.370 nan 0.000 0.453 164 Y N -0.588 119.799 120.300 0.145 0.000 2.151 164 Y HA -0.320 4.230 4.550 0.000 0.000 0.284 164 Y C 2.189 178.154 175.900 0.108 0.000 1.166 164 Y CA 2.106 60.286 58.100 0.134 0.000 1.163 164 Y CB -0.507 38.015 38.460 0.104 0.000 0.974 164 Y HN 0.168 nan 8.280 nan 0.000 0.511 165 Y N 0.757 121.163 120.300 0.177 0.000 2.242 165 Y HA -0.167 4.383 4.550 0.001 0.000 0.291 165 Y C 2.060 177.899 175.900 -0.103 0.000 1.137 165 Y CA 1.936 60.049 58.100 0.023 0.000 1.181 165 Y CB -0.356 38.060 38.460 -0.073 0.000 0.989 165 Y HN -0.003 nan 8.280 nan 0.000 0.527 166 K N -1.137 119.016 120.400 -0.411 0.000 2.103 166 K HA -0.029 4.291 4.320 0.001 0.000 0.204 166 K C 1.289 177.320 176.600 -0.948 0.000 1.052 166 K CA 1.677 57.463 56.287 -0.834 0.000 0.945 166 K CB -0.107 31.886 32.500 -0.845 0.000 0.722 166 K HN 0.333 nan 8.250 nan 0.000 0.443 167 F N -0.065 119.787 119.950 -0.163 0.000 2.522 167 F HA 0.087 4.614 4.527 0.001 0.000 0.275 167 F C 1.615 177.344 175.800 -0.118 0.000 0.890 167 F CA -0.224 57.740 58.000 -0.060 0.000 1.157 167 F CB -0.153 38.890 39.000 0.072 0.000 1.117 167 F HN -0.179 nan 8.300 nan 0.000 0.787 168 D N -0.074 120.280 120.400 -0.076 0.000 2.133 168 D HA -0.261 4.379 4.640 0.001 0.000 0.195 168 D C 1.708 177.851 176.300 -0.261 0.000 0.997 168 D CA 1.536 55.320 54.000 -0.360 0.000 0.840 168 D CB -0.481 39.595 40.800 -1.206 0.000 0.947 168 D HN 0.257 nan 8.370 nan 0.000 0.452 169 Y N 0.750 120.808 120.300 -0.404 0.000 2.497 169 Y HA -0.082 4.469 4.550 0.000 0.000 0.292 169 Y C 1.945 177.755 175.900 -0.150 0.000 1.137 169 Y CA 1.017 59.019 58.100 -0.164 0.000 1.285 169 Y CB 0.122 38.485 38.460 -0.161 0.000 0.991 169 Y HN -0.110 nan 8.280 nan 0.000 0.556 170 E N -1.026 118.929 120.200 -0.408 0.000 2.162 170 E HA 0.036 4.386 4.350 0.001 0.000 0.193 170 E C 1.119 177.407 176.600 -0.520 0.000 0.953 170 E CA 1.211 57.205 56.400 -0.678 0.000 0.849 170 E CB -0.407 28.666 29.700 -1.046 0.000 0.810 170 E HN 0.400 nan 8.360 nan 0.000 0.470 171 F N -0.733 119.257 119.950 0.067 0.000 2.704 171 F HA 0.457 4.985 4.527 0.001 0.000 0.304 171 F C 1.215 177.158 175.800 0.238 0.000 1.094 171 F CA 0.113 58.209 58.000 0.160 0.000 1.275 171 F CB 0.783 39.848 39.000 0.108 0.000 1.073 171 F HN 0.106 nan 8.300 nan 0.000 0.586 172 A N 0.305 123.309 122.820 0.307 0.000 2.979 172 A HA -0.243 4.078 4.320 0.001 0.000 0.260 172 A C 0.252 177.866 177.584 0.049 0.000 1.282 172 A CA 1.330 53.470 52.037 0.173 0.000 0.971 172 A CB -2.112 16.939 19.000 0.085 0.000 1.124 172 A HN 0.476 nan 8.150 nan 0.000 0.826 173 E N -1.101 119.142 120.200 0.072 0.000 2.367 173 E HA 0.513 4.863 4.350 0.001 0.000 0.273 173 E C -3.027 173.582 176.600 0.015 0.000 0.903 173 E CA -2.513 53.897 56.400 0.016 0.000 0.764 173 E CB 1.869 31.568 29.700 -0.001 0.000 1.252 173 E HN 0.152 nan 8.360 nan 0.000 0.446 174 P HA 0.035 nan 4.420 nan 0.000 0.269 174 P C -2.132 175.154 177.300 -0.024 0.000 1.215 174 P CA -1.012 62.089 63.100 0.002 0.000 0.780 174 P CB 0.077 31.784 31.700 0.010 0.000 0.898 175 P HA -0.165 nan 4.420 nan 0.000 0.218 175 P C 1.505 178.711 177.300 -0.157 0.000 1.146 175 P CA 1.349 64.337 63.100 -0.187 0.000 0.813 175 P CB -0.094 31.424 31.700 -0.302 0.000 0.778 176 R N 0.452 120.895 120.500 -0.095 0.000 2.154 176 R HA -0.145 4.195 4.340 0.001 0.000 0.248 176 R C 1.514 177.767 176.300 -0.078 0.000 1.155 176 R CA 2.057 58.111 56.100 -0.076 0.000 0.979 176 R CB -0.563 29.712 30.300 -0.043 0.000 0.869 176 R HN 0.227 nan 8.270 nan 0.000 0.452 177 V N -3.580 116.287 119.914 -0.079 0.000 3.578 177 V HA 0.281 4.401 4.120 0.001 0.000 0.290 177 V C 0.097 176.129 176.094 -0.104 0.000 1.376 177 V CA -0.105 62.148 62.300 -0.078 0.000 1.083 177 V CB 0.666 32.450 31.823 -0.065 0.000 0.911 177 V HN 0.018 nan 8.190 nan 0.000 0.433 178 T N 1.975 116.447 114.554 -0.137 0.000 2.845 178 T HA 0.412 4.762 4.350 0.001 0.000 0.288 178 T C 0.213 174.792 174.700 -0.202 0.000 0.980 178 T CA 0.355 62.340 62.100 -0.192 0.000 1.071 178 T CB 1.442 70.156 68.868 -0.257 0.000 0.941 178 T HN 0.460 nan 8.240 nan 0.000 0.487 179 S N 2.386 117.972 115.700 -0.190 0.000 2.516 179 S HA 0.081 4.551 4.470 0.001 0.000 0.282 179 S C 1.237 175.665 174.600 -0.287 0.000 1.286 179 S CA -0.805 57.270 58.200 -0.208 0.000 1.066 179 S CB 0.037 63.099 63.200 -0.230 0.000 0.884 179 S HN 0.638 nan 8.310 nan 0.000 0.491 180 L N 5.358 126.443 121.223 -0.230 0.000 2.005 180 L HA -0.028 4.312 4.340 0.001 0.000 0.207 180 L C 2.616 179.350 176.870 -0.225 0.000 1.072 180 L CA 2.094 56.808 54.840 -0.211 0.000 0.744 180 L CB -0.901 41.064 42.059 -0.158 0.000 0.895 180 L HN 0.947 nan 8.230 nan 0.000 0.433 181 Q N -0.833 118.826 119.800 -0.236 0.000 2.297 181 Q HA -0.187 4.153 4.340 0.001 0.000 0.208 181 Q C 1.036 176.815 176.000 -0.368 0.000 0.981 181 Q CA 1.594 57.248 55.803 -0.247 0.000 0.876 181 Q CB 0.010 28.622 28.738 -0.209 0.000 0.921 181 Q HN 0.651 nan 8.270 nan 0.000 0.446 182 N N -1.166 117.211 118.700 -0.539 0.000 2.205 182 N HA 0.008 4.749 4.740 0.001 0.000 0.201 182 N C 0.794 176.027 175.510 -0.461 0.000 1.128 182 N CA 1.016 53.622 53.050 -0.740 0.000 0.867 182 N CB 1.188 38.672 38.487 -1.672 0.000 0.996 182 N HN 0.302 nan 8.380 nan 0.000 0.503 183 T N -3.453 110.894 114.554 -0.345 0.000 2.969 183 T HA 0.234 4.585 4.350 0.001 0.000 0.258 183 T C 0.256 174.964 174.700 0.014 0.000 0.962 183 T CA -0.013 61.944 62.100 -0.239 0.000 0.903 183 T CB 0.341 68.796 68.868 -0.688 0.000 1.177 183 T HN -0.221 nan 8.240 nan 0.000 0.511 184 V N 4.540 124.433 119.914 -0.034 0.000 2.357 184 V HA 0.513 4.633 4.120 0.001 0.000 0.281 184 V C -2.555 173.536 176.094 -0.004 0.000 1.015 184 V CA -2.027 60.307 62.300 0.056 0.000 0.827 184 V CB 1.795 33.662 31.823 0.074 0.000 1.018 184 V HN 0.245 nan 8.190 nan 0.000 0.432 185 P HA 0.342 nan 4.420 nan 0.000 0.279 185 P C -0.928 176.411 177.300 0.064 0.000 1.276 185 P CA -0.633 62.507 63.100 0.066 0.000 0.801 185 P CB 1.592 33.317 31.700 0.041 0.000 1.127 186 L N 0.579 121.883 121.223 0.136 0.000 2.265 186 L HA 0.457 4.797 4.340 0.001 0.000 0.289 186 L C 1.507 178.378 176.870 0.001 0.000 1.033 186 L CA -0.484 54.416 54.840 0.100 0.000 0.814 186 L CB 0.256 42.428 42.059 0.188 0.000 1.203 186 L HN 0.533 nan 8.230 nan 0.000 0.423 187 A N 3.334 126.128 122.820 -0.042 0.000 1.958 187 A HA -0.222 4.098 4.320 0.001 0.000 0.221 187 A C 1.958 179.531 177.584 -0.019 0.000 1.178 187 A CA 2.549 54.534 52.037 -0.086 0.000 0.642 187 A CB -0.903 17.977 19.000 -0.201 0.000 0.816 187 A HN 0.851 nan 8.150 nan 0.000 0.453 188 T N -0.527 114.021 114.554 -0.010 0.000 2.635 188 T HA -0.196 4.154 4.350 0.001 0.000 0.267 188 T C 1.539 176.065 174.700 -0.290 0.000 1.040 188 T CA 1.976 63.957 62.100 -0.198 0.000 1.156 188 T CB -0.505 67.975 68.868 -0.646 0.000 0.863 188 T HN 0.562 nan 8.240 nan 0.000 0.430 189 F N 1.113 121.028 119.950 -0.058 0.000 2.187 189 F HA -0.026 4.501 4.527 0.000 0.000 0.295 189 F C 2.956 178.712 175.800 -0.074 0.000 1.091 189 F CA 0.331 58.291 58.000 -0.067 0.000 1.308 189 F CB -0.475 38.485 39.000 -0.067 0.000 1.030 189 F HN 0.056 nan 8.300 nan 0.000 0.487 190 S N 0.395 116.146 115.700 0.085 0.000 2.359 190 S HA -0.225 4.245 4.470 0.001 0.000 0.223 190 S C 1.493 176.049 174.600 -0.073 0.000 1.039 190 S CA 1.932 60.130 58.200 -0.004 0.000 1.042 190 S CB -0.406 62.765 63.200 -0.048 0.000 0.915 190 S HN 0.354 nan 8.310 nan 0.000 0.439 191 D N 0.191 120.473 120.400 -0.196 0.000 2.149 191 D HA 0.076 4.716 4.640 0.001 0.000 0.206 191 D C 1.496 177.615 176.300 -0.302 0.000 0.967 191 D CA 0.953 54.738 54.000 -0.358 0.000 0.848 191 D CB -0.323 40.088 40.800 -0.648 0.000 0.998 191 D HN 0.476 nan 8.370 nan 0.000 0.474 192 F N 0.074 119.989 119.950 -0.058 0.000 2.746 192 F HA 0.388 4.915 4.527 0.001 0.000 0.297 192 F C 1.300 177.063 175.800 -0.061 0.000 1.113 192 F CA 0.113 58.046 58.000 -0.111 0.000 1.367 192 F CB 0.928 39.768 39.000 -0.267 0.000 1.111 192 F HN -0.017 nan 8.300 nan 0.000 0.590 193 G N 0.585 109.472 108.800 0.145 0.000 2.459 193 G HA2 -0.155 3.805 3.960 0.001 0.000 0.685 193 G HA3 -0.155 3.805 3.960 0.001 0.000 0.685 193 G C -0.549 174.458 174.900 0.177 0.000 1.303 193 G CA -0.655 44.515 45.100 0.117 0.000 0.907 193 G HN 0.016 nan 8.290 nan 0.000 0.632 194 D N -0.059 120.373 120.400 0.054 0.000 2.317 194 D HA 0.024 4.664 4.640 0.001 0.000 0.211 194 D C 0.443 176.667 176.300 -0.125 0.000 0.966 194 D CA 0.733 54.663 54.000 -0.118 0.000 0.876 194 D CB 0.187 40.885 40.800 -0.171 0.000 0.927 194 D HN 0.427 nan 8.370 nan 0.000 0.519 195 D N 0.813 121.222 120.400 0.015 0.000 2.341 195 D HA 0.171 4.811 4.640 0.001 0.000 0.245 195 D C 0.421 176.799 176.300 0.131 0.000 1.106 195 D CA -0.127 53.900 54.000 0.044 0.000 0.905 195 D CB 2.390 43.254 40.800 0.107 0.000 1.202 195 D HN -0.113 nan 8.370 nan 0.000 0.426 196 V N -0.186 119.807 119.914 0.132 0.000 2.656 196 V HA 0.564 4.685 4.120 0.001 0.000 0.307 196 V C -1.491 174.806 176.094 0.338 0.000 1.051 196 V CA -0.813 61.667 62.300 0.300 0.000 0.893 196 V CB 1.459 33.437 31.823 0.257 0.000 0.999 196 V HN 0.317 nan 8.190 nan 0.000 0.426 197 Y N 3.681 124.189 120.300 0.347 0.000 2.350 197 Y HA 0.580 5.131 4.550 0.001 0.000 0.338 197 Y C -0.361 175.735 175.900 0.327 0.000 0.961 197 Y CA -1.112 57.185 58.100 0.327 0.000 1.100 197 Y CB 2.008 40.548 38.460 0.132 0.000 1.179 197 Y HN 0.815 nan 8.280 nan 0.000 0.454 198 F N 4.312 124.380 119.950 0.196 0.000 2.471 198 F HA 0.412 4.940 4.527 0.000 0.000 0.365 198 F C -0.267 175.489 175.800 -0.074 0.000 1.095 198 F CA -0.624 57.241 58.000 -0.225 0.000 1.174 198 F CB 0.345 39.263 39.000 -0.136 0.000 1.105 198 F HN 0.179 nan 8.300 nan 0.000 0.535 199 V N 6.686 126.288 119.914 -0.519 0.000 2.439 199 V HA 0.397 4.517 4.120 0.001 0.000 0.271 199 V C 0.390 176.328 176.094 -0.260 0.000 1.040 199 V CA -0.096 61.986 62.300 -0.363 0.000 1.002 199 V CB 0.398 31.864 31.823 -0.595 0.000 1.000 199 V HN 0.888 nan 8.190 nan 0.000 0.477 200 A N 4.301 127.154 122.820 0.056 0.000 3.030 200 A HA 0.558 4.878 4.320 0.001 0.000 0.335 200 A C -0.485 177.185 177.584 0.145 0.000 1.089 200 A CA -0.425 51.743 52.037 0.219 0.000 0.807 200 A CB 0.154 19.371 19.000 0.362 0.000 1.099 200 A HN 0.716 nan 8.150 nan 0.000 0.474 201 D N 0.616 121.071 120.400 0.092 0.000 2.780 201 D HA 0.215 4.855 4.640 0.001 0.000 0.242 201 D C 0.253 176.592 176.300 0.065 0.000 1.135 201 D CA -0.335 53.699 54.000 0.058 0.000 0.859 201 D CB 1.667 42.466 40.800 -0.002 0.000 1.530 201 D HN 0.208 nan 8.370 nan 0.000 0.493 202 Q N 2.057 121.891 119.800 0.057 0.000 2.437 202 Q HA -0.012 4.329 4.340 0.001 0.000 0.210 202 Q C 1.511 177.511 176.000 -0.001 0.000 0.972 202 Q CA 0.699 56.521 55.803 0.032 0.000 0.903 202 Q CB 0.118 28.871 28.738 0.026 0.000 0.967 202 Q HN 0.474 nan 8.270 nan 0.000 0.486 203 R N -0.143 120.355 120.500 -0.002 0.000 2.148 203 R HA 0.081 4.421 4.340 0.001 0.000 0.223 203 R C 0.594 176.893 176.300 -0.002 0.000 1.088 203 R CA 0.775 56.863 56.100 -0.020 0.000 0.985 203 R CB 0.068 30.357 30.300 -0.019 0.000 0.880 203 R HN 0.270 nan 8.270 nan 0.000 0.451 204 G N -0.640 108.182 108.800 0.037 0.000 2.712 204 G HA2 -0.290 3.671 3.960 0.001 0.000 0.686 204 G HA3 -0.290 3.671 3.960 0.001 0.000 0.686 204 G C -0.099 174.905 174.900 0.174 0.000 1.181 204 G CA -0.310 44.843 45.100 0.088 0.000 0.762 204 G HN 0.335 nan 8.290 nan 0.000 0.641 205 Y N 0.726 121.050 120.300 0.041 0.000 2.315 205 Y HA -0.234 4.316 4.550 0.001 0.000 0.288 205 Y C 2.797 178.768 175.900 0.117 0.000 1.154 205 Y CA 2.024 60.157 58.100 0.056 0.000 1.229 205 Y CB 0.190 38.675 38.460 0.042 0.000 0.980 205 Y HN 0.844 nan 8.280 nan 0.000 0.540 206 E N 0.335 120.696 120.200 0.268 0.000 2.267 206 E HA -0.240 4.110 4.350 0.001 0.000 0.197 206 E C 2.040 178.869 176.600 0.383 0.000 0.998 206 E CA 0.840 57.416 56.400 0.293 0.000 0.830 206 E CB -0.408 29.543 29.700 0.419 0.000 0.751 206 E HN 0.485 nan 8.360 nan 0.000 0.491 207 A N 1.734 124.724 122.820 0.283 0.000 1.958 207 A HA -0.185 4.135 4.320 0.001 0.000 0.221 207 A C 2.507 180.262 177.584 0.284 0.000 1.178 207 A CA 1.816 54.000 52.037 0.246 0.000 0.642 207 A CB -0.884 18.187 19.000 0.118 0.000 0.816 207 A HN 0.225 nan 8.150 nan 0.000 0.453 208 V N -0.461 119.593 119.914 0.233 0.000 2.332 208 V HA -0.263 3.858 4.120 0.001 0.000 0.248 208 V C 2.536 178.768 176.094 0.231 0.000 1.055 208 V CA 2.113 64.537 62.300 0.206 0.000 1.038 208 V CB -0.923 30.982 31.823 0.136 0.000 0.651 208 V HN 0.409 nan 8.190 nan 0.000 0.450 209 V N -1.420 118.603 119.914 0.182 0.000 2.358 209 V HA -0.241 3.879 4.120 0.001 0.000 0.246 209 V C 2.191 178.321 176.094 0.061 0.000 1.047 209 V CA 1.864 64.221 62.300 0.094 0.000 1.035 209 V CB -0.858 30.969 31.823 0.007 0.000 0.658 209 V HN 0.477 nan 8.190 nan 0.000 0.452 210 Y N -0.732 119.637 120.300 0.115 0.000 2.165 210 Y HA -0.300 4.251 4.550 0.001 0.000 0.286 210 Y C 2.500 178.458 175.900 0.097 0.000 1.155 210 Y CA 2.459 60.614 58.100 0.091 0.000 1.164 210 Y CB -0.684 37.834 38.460 0.098 0.000 0.978 210 Y HN 0.342 nan 8.280 nan 0.000 0.513 211 Y N 0.154 120.564 120.300 0.182 0.000 2.145 211 Y HA -0.232 4.318 4.550 0.001 0.000 0.286 211 Y C 1.988 177.945 175.900 0.095 0.000 1.145 211 Y CA 1.475 59.641 58.100 0.109 0.000 1.148 211 Y CB -0.700 37.807 38.460 0.077 0.000 0.981 211 Y HN 0.034 nan 8.280 nan 0.000 0.507 212 L N -0.028 121.167 121.223 -0.046 0.000 2.083 212 L HA -0.207 4.133 4.340 0.001 0.000 0.209 212 L C 2.795 179.675 176.870 0.017 0.000 1.083 212 L CA 1.143 55.944 54.840 -0.065 0.000 0.752 212 L CB -0.962 41.188 42.059 0.150 0.000 0.899 212 L HN 0.379 nan 8.230 nan 0.000 0.433 213 A N 0.199 123.003 122.820 -0.027 0.000 1.933 213 A HA -0.105 4.216 4.320 0.001 0.000 0.218 213 A C 2.282 179.664 177.584 -0.337 0.000 1.175 213 A CA 1.620 53.542 52.037 -0.191 0.000 0.628 213 A CB -1.071 17.803 19.000 -0.210 0.000 0.814 213 A HN 0.437 nan 8.150 nan 0.000 0.444 214 G N -1.383 107.306 108.800 -0.185 0.000 2.848 214 G HA2 0.013 3.974 3.960 0.001 0.000 0.208 214 G HA3 0.013 3.974 3.960 0.001 0.000 0.208 214 G C 1.295 176.103 174.900 -0.154 0.000 1.152 214 G CA 0.359 45.367 45.100 -0.154 0.000 0.789 214 G HN 0.541 nan 8.290 nan 0.000 0.531 215 Q N -0.576 119.136 119.800 -0.146 0.000 2.378 215 Q HA -0.008 4.332 4.340 0.001 0.000 0.205 215 Q C 1.468 177.521 176.000 0.089 0.000 0.954 215 Q CA 0.921 56.692 55.803 -0.053 0.000 0.901 215 Q CB 0.101 28.809 28.738 -0.051 0.000 0.981 215 Q HN 0.953 nan 8.270 nan 0.000 0.483 216 Y N -3.539 116.710 120.300 -0.086 0.000 2.563 216 Y HA 0.406 4.956 4.550 0.001 0.000 0.273 216 Y C 0.223 176.092 175.900 -0.051 0.000 1.034 216 Y CA -0.488 57.575 58.100 -0.062 0.000 1.217 216 Y CB 0.331 38.754 38.460 -0.062 0.000 1.380 216 Y HN -0.224 nan 8.280 nan 0.000 0.568 217 L N 2.912 123.825 121.223 -0.518 0.000 2.309 217 L HA 0.430 4.771 4.340 0.001 0.000 0.282 217 L C -0.193 176.564 176.870 -0.189 0.000 1.036 217 L CA -1.027 53.587 54.840 -0.377 0.000 0.806 217 L CB 1.748 43.506 42.059 -0.502 0.000 1.220 217 L HN 0.010 nan 8.230 nan 0.000 0.429 218 K N 1.844 122.174 120.400 -0.115 0.000 2.472 218 K HA 0.115 4.435 4.320 0.001 0.000 0.280 218 K C -0.062 176.501 176.600 -0.061 0.000 1.028 218 K CA 0.238 56.484 56.287 -0.067 0.000 1.045 218 K CB 0.349 32.822 32.500 -0.045 0.000 0.902 218 K HN 0.645 nan 8.250 nan 0.000 0.478 219 T N -0.683 113.847 114.554 -0.040 0.000 2.908 219 T HA 0.164 4.514 4.350 0.001 0.000 0.290 219 T C -0.537 174.158 174.700 -0.008 0.000 1.034 219 T CA -1.203 60.885 62.100 -0.020 0.000 1.010 219 T CB 1.656 70.519 68.868 -0.009 0.000 1.068 219 T HN 0.406 nan 8.240 nan 0.000 0.481 220 D N 0.773 121.173 120.400 -0.000 0.000 2.425 220 D HA 0.132 4.772 4.640 0.001 0.000 0.247 220 D C 0.598 176.900 176.300 0.004 0.000 1.147 220 D CA -0.088 53.913 54.000 0.002 0.000 0.879 220 D CB 0.799 41.602 40.800 0.005 0.000 1.179 220 D HN 0.478 nan 8.370 nan 0.000 0.456 221 D N 2.847 123.248 120.400 0.002 0.000 2.178 221 D HA -0.110 4.531 4.640 0.001 0.000 0.201 221 D C 1.455 177.758 176.300 0.005 0.000 0.980 221 D CA 1.238 55.240 54.000 0.004 0.000 0.842 221 D CB 0.271 41.073 40.800 0.003 0.000 0.948 221 D HN 0.454 nan 8.370 nan 0.000 0.472 222 K N -0.227 120.176 120.400 0.004 0.000 2.056 222 K HA 0.060 4.380 4.320 0.001 0.000 0.205 222 K C 2.209 178.812 176.600 0.004 0.000 1.035 222 K CA 0.584 56.873 56.287 0.003 0.000 0.955 222 K CB -0.270 32.232 32.500 0.002 0.000 0.769 222 K HN -0.127 nan 8.250 nan 0.000 0.447 223 S N -0.892 114.811 115.700 0.005 0.000 2.354 223 S HA -0.146 4.324 4.470 0.001 0.000 0.219 223 S C 1.548 176.153 174.600 0.008 0.000 1.035 223 S CA 2.155 60.358 58.200 0.005 0.000 1.037 223 S CB -0.471 62.734 63.200 0.008 0.000 0.956 223 S HN 0.625 nan 8.310 nan 0.000 0.428 224 G N 0.330 109.138 108.800 0.013 0.000 2.259 224 G HA2 -0.183 3.777 3.960 0.001 0.000 0.217 224 G HA3 -0.183 3.777 3.960 0.001 0.000 0.217 224 G C -0.038 174.883 174.900 0.035 0.000 1.001 224 G CA 0.076 45.189 45.100 0.021 0.000 0.627 224 G HN 0.572 nan 8.290 nan 0.000 0.501 225 K N 0.812 121.232 120.400 0.034 0.000 2.485 225 K HA 0.352 4.672 4.320 0.001 0.000 0.277 225 K C 0.666 177.290 176.600 0.040 0.000 0.990 225 K CA -0.086 56.234 56.287 0.054 0.000 0.994 225 K CB 0.915 33.441 32.500 0.044 0.000 0.906 225 K HN 0.342 nan 8.250 nan 0.000 0.488 226 I N 2.916 123.516 120.570 0.051 0.000 2.598 226 I HA -0.118 4.052 4.170 0.001 0.000 0.284 226 I C 1.141 177.252 176.117 -0.009 0.000 1.140 226 I CA 0.119 61.418 61.300 -0.002 0.000 1.420 226 I CB 0.454 38.434 38.000 -0.033 0.000 1.387 226 I HN 0.445 nan 8.210 nan 0.000 0.553 227 V N 0.991 120.891 119.914 -0.024 0.000 3.159 227 V HA 0.251 4.371 4.120 0.001 0.000 0.333 227 V C 0.347 176.423 176.094 -0.031 0.000 1.424 227 V CA -0.440 61.849 62.300 -0.019 0.000 1.125 227 V CB 0.141 31.958 31.823 -0.011 0.000 1.075 227 V HN 0.683 nan 8.190 nan 0.000 0.482 228 D N 3.460 123.828 120.400 -0.052 0.000 2.343 228 D HA 0.228 4.868 4.640 0.001 0.000 0.255 228 D C -1.162 175.108 176.300 -0.051 0.000 1.187 228 D CA -1.437 52.527 54.000 -0.059 0.000 0.875 228 D CB 2.301 43.044 40.800 -0.096 0.000 1.136 228 D HN 0.196 nan 8.370 nan 0.000 0.469 229 P HA -0.123 nan 4.420 nan 0.000 0.223 229 P C 1.025 178.298 177.300 -0.044 0.000 1.144 229 P CA 0.743 63.824 63.100 -0.031 0.000 0.783 229 P CB 0.351 32.040 31.700 -0.018 0.000 0.771 230 R N -1.067 119.402 120.500 -0.051 0.000 2.148 230 R HA 0.025 4.366 4.340 0.001 0.000 0.223 230 R C 0.870 177.121 176.300 -0.081 0.000 1.088 230 R CA 0.083 56.147 56.100 -0.059 0.000 0.985 230 R CB -0.462 29.815 30.300 -0.039 0.000 0.880 230 R HN 0.161 nan 8.270 nan 0.000 0.451 231 L N 1.952 123.123 121.223 -0.087 0.000 2.260 231 L HA 0.134 4.475 4.340 0.001 0.000 0.289 231 L C -0.951 175.866 176.870 -0.087 0.000 1.057 231 L CA 0.218 55.000 54.840 -0.097 0.000 0.811 231 L CB 1.253 43.247 42.059 -0.108 0.000 1.184 231 L HN -0.055 nan 8.230 nan 0.000 0.429 232 Q N 6.601 126.338 119.800 -0.104 0.000 2.363 232 Q HA 0.408 4.749 4.340 0.001 0.000 0.265 232 Q C -0.825 175.119 176.000 -0.094 0.000 1.032 232 Q CA -0.376 55.372 55.803 -0.092 0.000 0.746 232 Q CB 1.879 30.548 28.738 -0.114 0.000 1.237 232 Q HN 0.692 nan 8.270 nan 0.000 0.475 233 L N 1.629 122.812 121.223 -0.067 0.000 2.456 233 L HA 0.273 4.614 4.340 0.001 0.000 0.257 233 L C 0.785 177.619 176.870 -0.059 0.000 1.162 233 L CA -0.613 54.186 54.840 -0.068 0.000 0.808 233 L CB 0.292 42.334 42.059 -0.028 0.000 1.136 233 L HN 0.634 nan 8.230 nan 0.000 0.466 234 N N 0.602 119.256 118.700 -0.075 0.000 2.727 234 N HA -0.159 4.581 4.740 0.001 0.000 0.249 234 N C -0.780 174.692 175.510 -0.065 0.000 1.048 234 N CA 0.919 53.933 53.050 -0.059 0.000 0.714 234 N CB -0.796 37.690 38.487 -0.002 0.000 0.959 234 N HN 0.478 nan 8.380 nan 0.000 0.544 235 K N 0.754 121.086 120.400 -0.114 0.000 2.473 235 K HA 0.355 4.675 4.320 0.001 0.000 0.246 235 K C -0.386 176.134 176.600 -0.134 0.000 1.011 235 K CA -0.458 55.778 56.287 -0.086 0.000 0.984 235 K CB 1.633 34.084 32.500 -0.082 0.000 1.250 235 K HN -0.117 nan 8.250 nan 0.000 0.454 236 V N 4.113 123.972 119.914 -0.093 0.000 2.353 236 V HA 0.112 4.233 4.120 0.001 0.000 0.264 236 V C 0.535 176.604 176.094 -0.042 0.000 1.049 236 V CA -0.834 61.409 62.300 -0.095 0.000 0.896 236 V CB 1.101 32.942 31.823 0.031 0.000 1.025 236 V HN 0.309 nan 8.190 nan 0.000 0.475 237 V N 7.584 127.456 119.914 -0.071 0.000 2.585 237 V HA 0.219 4.339 4.120 0.001 0.000 0.296 237 V C 1.210 177.272 176.094 -0.052 0.000 1.035 237 V CA 0.068 62.334 62.300 -0.056 0.000 1.084 237 V CB 0.867 32.639 31.823 -0.086 0.000 0.953 237 V HN 0.826 nan 8.190 nan 0.000 0.483 238 R N 2.285 122.752 120.500 -0.054 0.000 2.383 238 R HA 0.334 4.674 4.340 0.001 0.000 0.205 238 R C 0.399 176.635 176.300 -0.106 0.000 0.875 238 R CA 0.055 56.119 56.100 -0.060 0.000 1.039 238 R CB 0.770 31.054 30.300 -0.026 0.000 1.267 238 R HN 0.781 nan 8.270 nan 0.000 0.635 239 E N 0.585 120.719 120.200 -0.110 0.000 2.292 239 E HA 0.496 4.846 4.350 0.001 0.000 0.272 239 E C -1.288 175.224 176.600 -0.146 0.000 0.881 239 E CA -0.461 55.857 56.400 -0.135 0.000 0.754 239 E CB 2.003 31.659 29.700 -0.074 0.000 1.201 239 E HN -0.066 nan 8.360 nan 0.000 0.425 240 I N 3.725 124.173 120.570 -0.203 0.000 2.439 240 I HA 0.322 4.492 4.170 0.001 0.000 0.285 240 I C -0.377 175.794 176.117 0.091 0.000 1.021 240 I CA -0.659 60.590 61.300 -0.085 0.000 1.091 240 I CB 1.638 39.530 38.000 -0.180 0.000 1.242 240 I HN 0.190 nan 8.210 nan 0.000 0.439 241 K N 6.766 127.219 120.400 0.089 0.000 2.240 241 K HA 0.458 4.778 4.320 0.001 0.000 0.271 241 K C -1.538 175.146 176.600 0.141 0.000 1.018 241 K CA -0.630 55.695 56.287 0.062 0.000 0.874 241 K CB 1.518 34.014 32.500 -0.007 0.000 1.098 241 K HN 0.509 nan 8.250 nan 0.000 0.458 242 Y N -0.768 119.558 120.300 0.043 0.000 2.391 242 Y HA 0.573 5.123 4.550 0.000 0.000 0.341 242 Y C -0.435 175.477 175.900 0.021 0.000 0.965 242 Y CA -0.921 57.198 58.100 0.032 0.000 1.067 242 Y CB 1.649 40.139 38.460 0.050 0.000 1.199 242 Y HN 0.197 nan 8.280 nan 0.000 0.450 243 S N 3.197 118.942 115.700 0.075 0.000 2.677 243 S HA 0.457 4.927 4.470 0.001 0.000 0.304 243 S C -1.919 172.726 174.600 0.074 0.000 1.108 243 S CA -1.646 56.568 58.200 0.023 0.000 0.944 243 S CB 1.638 64.833 63.200 -0.008 0.000 1.127 243 S HN 0.710 nan 8.310 nan 0.000 0.511 244 P HA 0.037 nan 4.420 nan 0.000 0.228 244 P C 0.926 178.246 177.300 0.034 0.000 1.151 244 P CA 0.740 63.876 63.100 0.059 0.000 0.770 244 P CB -0.166 31.563 31.700 0.048 0.000 0.786 245 G N -1.293 107.515 108.800 0.014 0.000 2.796 245 G HA2 0.441 4.401 3.960 0.001 0.000 0.210 245 G HA3 0.441 4.401 3.960 0.001 0.000 0.210 245 G C 0.593 175.470 174.900 -0.037 0.000 1.146 245 G CA 0.546 45.640 45.100 -0.009 0.000 0.779 245 G HN 0.619 nan 8.290 nan 0.000 0.535 246 G N -1.427 107.355 108.800 -0.029 0.000 2.324 246 G HA2 0.506 4.466 3.960 0.001 0.000 0.293 246 G HA3 0.506 4.466 3.960 0.001 0.000 0.293 246 G C -1.552 173.345 174.900 -0.004 0.000 1.297 246 G CA 0.061 45.125 45.100 -0.059 0.000 0.853 246 G HN 1.084 nan 8.290 nan 0.000 0.535 247 V N -3.239 116.672 119.914 -0.007 0.000 3.040 247 V HA 0.974 5.095 4.120 0.001 0.000 0.312 247 V C -0.379 175.737 176.094 0.035 0.000 1.115 247 V CA -0.676 61.652 62.300 0.046 0.000 0.998 247 V CB 1.702 33.571 31.823 0.076 0.000 1.042 247 V HN 1.095 nan 8.190 nan 0.000 0.433 248 T N 2.148 116.731 114.554 0.048 0.000 2.848 248 T HA 0.690 5.040 4.350 0.001 0.000 0.285 248 T C -1.038 173.689 174.700 0.045 0.000 0.995 248 T CA -0.306 61.816 62.100 0.037 0.000 0.970 248 T CB 1.593 70.466 68.868 0.009 0.000 0.976 248 T HN 0.793 nan 8.240 nan 0.000 0.441 249 V N 4.690 124.647 119.914 0.071 0.000 2.443 249 V HA 0.514 4.635 4.120 0.001 0.000 0.293 249 V C -0.043 176.116 176.094 0.108 0.000 1.021 249 V CA -0.879 61.466 62.300 0.075 0.000 0.848 249 V CB 1.733 33.605 31.823 0.082 0.000 0.998 249 V HN 0.658 nan 8.190 nan 0.000 0.424 250 K N 3.257 123.677 120.400 0.033 0.000 2.206 250 K HA 0.631 4.951 4.320 0.001 0.000 0.264 250 K C 0.049 176.666 176.600 0.029 0.000 0.967 250 K CA -0.314 55.980 56.287 0.011 0.000 0.844 250 K CB 1.711 34.193 32.500 -0.030 0.000 1.099 250 K HN 0.860 nan 8.250 nan 0.000 0.441 251 T N -0.349 114.240 114.554 0.058 0.000 2.912 251 T HA 0.173 4.523 4.350 0.001 0.000 0.280 251 T C 1.131 175.843 174.700 0.019 0.000 0.989 251 T CA -0.723 61.409 62.100 0.054 0.000 0.995 251 T CB 1.469 70.405 68.868 0.114 0.000 1.077 251 T HN 0.677 nan 8.240 nan 0.000 0.531 252 E N 0.283 120.495 120.200 0.020 0.000 2.204 252 E HA -0.169 4.181 4.350 0.001 0.000 0.195 252 E C 1.085 177.692 176.600 0.012 0.000 0.990 252 E CA 1.247 57.657 56.400 0.018 0.000 0.821 252 E CB -0.074 29.648 29.700 0.036 0.000 0.750 252 E HN 0.806 nan 8.360 nan 0.000 0.477 253 D N -0.764 119.645 120.400 0.015 0.000 2.336 253 D HA -0.093 4.547 4.640 0.001 0.000 0.229 253 D C 0.278 176.572 176.300 -0.010 0.000 1.061 253 D CA 0.158 54.162 54.000 0.008 0.000 0.875 253 D CB -0.042 40.767 40.800 0.016 0.000 0.904 253 D HN 0.060 nan 8.370 nan 0.000 0.525 254 N N -1.227 117.461 118.700 -0.019 0.000 2.984 254 N HA -0.160 4.580 4.740 0.001 0.000 0.227 254 N C -0.815 174.643 175.510 -0.087 0.000 0.903 254 N CA 0.833 53.857 53.050 -0.043 0.000 0.995 254 N CB -1.601 36.862 38.487 -0.039 0.000 1.065 254 N HN 0.196 nan 8.380 nan 0.000 0.585 255 S N 0.614 116.251 115.700 -0.106 0.000 2.560 255 S HA 0.317 4.787 4.470 0.001 0.000 0.284 255 S C 0.519 174.897 174.600 -0.371 0.000 1.327 255 S CA -0.141 57.896 58.200 -0.272 0.000 1.055 255 S CB 1.956 64.982 63.200 -0.291 0.000 0.868 255 S HN 0.140 nan 8.310 nan 0.000 0.506 256 V N 3.904 123.510 119.914 -0.512 0.000 2.531 256 V HA 0.414 4.535 4.120 0.001 0.000 0.301 256 V C -1.304 174.479 176.094 -0.518 0.000 1.034 256 V CA -0.709 61.367 62.300 -0.372 0.000 0.865 256 V CB 0.877 32.589 31.823 -0.185 0.000 0.995 256 V HN 0.814 nan 8.190 nan 0.000 0.424 257 Y N 1.516 121.798 120.300 -0.029 0.000 2.393 257 Y HA 0.604 5.155 4.550 0.001 0.000 0.341 257 Y C 0.662 176.546 175.900 -0.026 0.000 0.988 257 Y CA -0.530 57.553 58.100 -0.027 0.000 1.078 257 Y CB 2.157 40.599 38.460 -0.029 0.000 1.203 257 Y HN 0.515 nan 8.280 nan 0.000 0.453 258 S N 1.607 117.377 115.700 0.117 0.000 2.578 258 S HA 0.891 5.361 4.470 0.001 0.000 0.283 258 S C -0.498 174.131 174.600 0.049 0.000 1.195 258 S CA -0.465 57.768 58.200 0.055 0.000 1.050 258 S CB 1.034 64.245 63.200 0.018 0.000 1.012 258 S HN 0.795 nan 8.310 nan 0.000 0.511 259 A N 2.290 125.117 122.820 0.012 0.000 2.602 259 A HA 0.608 4.928 4.320 0.001 0.000 0.290 259 A C -0.489 177.037 177.584 -0.096 0.000 1.114 259 A CA -0.680 51.346 52.037 -0.018 0.000 0.683 259 A CB 0.531 19.534 19.000 0.006 0.000 1.281 259 A HN 0.639 nan 8.150 nan 0.000 0.416 260 D N -1.065 119.226 120.400 -0.182 0.000 2.183 260 D HA 0.225 4.865 4.640 0.001 0.000 0.205 260 D C -0.507 175.338 176.300 -0.758 0.000 0.962 260 D CA 1.933 55.633 54.000 -0.501 0.000 0.849 260 D CB 0.008 40.452 40.800 -0.594 0.000 0.978 260 D HN 0.483 nan 8.370 nan 0.000 0.488 261 Y N -1.330 118.995 120.300 0.042 0.000 2.588 261 Y HA 0.530 5.080 4.550 0.000 0.000 0.343 261 Y C -0.882 175.036 175.900 0.031 0.000 1.065 261 Y CA -1.412 56.729 58.100 0.069 0.000 1.038 261 Y CB 1.945 40.443 38.460 0.064 0.000 1.297 261 Y HN -0.372 nan 8.280 nan 0.000 0.467 262 V N 3.258 123.297 119.914 0.208 0.000 2.638 262 V HA 0.607 4.728 4.120 0.001 0.000 0.306 262 V C -1.384 174.725 176.094 0.025 0.000 1.052 262 V CA -0.781 61.559 62.300 0.067 0.000 0.885 262 V CB 1.731 33.561 31.823 0.012 0.000 0.999 262 V HN 0.781 nan 8.190 nan 0.000 0.424 263 M N 7.666 127.246 119.600 -0.033 0.000 2.061 263 M HA 0.547 5.027 4.480 0.001 0.000 0.346 263 M C -1.171 175.063 176.300 -0.110 0.000 1.112 263 M CA -0.038 55.215 55.300 -0.079 0.000 1.021 263 M CB 1.143 33.691 32.600 -0.086 0.000 1.530 263 M HN 0.420 nan 8.290 nan 0.000 0.437 264 V N 4.856 124.655 119.914 -0.192 0.000 2.408 264 V HA 0.316 4.436 4.120 0.001 0.000 0.267 264 V C 0.713 176.821 176.094 0.022 0.000 1.047 264 V CA 0.199 62.437 62.300 -0.102 0.000 0.937 264 V CB 0.636 32.371 31.823 -0.146 0.000 0.999 264 V HN 1.013 nan 8.190 nan 0.000 0.472 265 S N 3.252 118.974 115.700 0.038 0.000 2.559 265 S HA 0.363 4.834 4.470 0.001 0.000 0.226 265 S C 0.841 175.522 174.600 0.134 0.000 1.000 265 S CA 0.270 58.513 58.200 0.072 0.000 0.948 265 S CB 0.359 63.567 63.200 0.014 0.000 0.870 265 S HN 0.921 nan 8.310 nan 0.000 0.497 266 A N 2.680 125.572 122.820 0.120 0.000 2.483 266 A HA 0.544 4.864 4.320 0.001 0.000 0.238 266 A C 0.858 178.527 177.584 0.142 0.000 1.070 266 A CA 0.153 52.244 52.037 0.090 0.000 0.770 266 A CB -0.157 18.872 19.000 0.049 0.000 1.008 266 A HN 0.980 nan 8.150 nan 0.000 0.497 267 S N 1.526 117.273 115.700 0.079 0.000 2.569 267 S HA 0.086 4.557 4.470 0.001 0.000 0.274 267 S C 1.120 175.545 174.600 -0.292 0.000 1.353 267 S CA 0.202 58.397 58.200 -0.008 0.000 1.023 267 S CB 0.223 63.482 63.200 0.098 0.000 0.876 267 S HN 1.417 nan 8.310 nan 0.000 0.540 268 L N 2.857 123.706 121.223 -0.624 0.000 2.081 268 L HA 0.048 4.388 4.340 0.001 0.000 0.212 268 L C 2.304 179.031 176.870 -0.237 0.000 1.080 268 L CA 2.559 57.063 54.840 -0.559 0.000 0.754 268 L CB -1.483 40.355 42.059 -0.369 0.000 0.893 268 L HN 0.977 nan 8.230 nan 0.000 0.433 269 G N -1.290 107.452 108.800 -0.096 0.000 2.418 269 G HA2 -0.187 3.773 3.960 0.001 0.000 0.217 269 G HA3 -0.187 3.773 3.960 0.001 0.000 0.217 269 G C 1.526 176.423 174.900 -0.005 0.000 1.158 269 G CA 0.985 46.085 45.100 0.000 0.000 0.771 269 G HN 0.338 nan 8.290 nan 0.000 0.545 270 V N 1.048 120.958 119.914 -0.006 0.000 2.295 270 V HA -0.141 3.980 4.120 0.001 0.000 0.246 270 V C 2.924 179.021 176.094 0.005 0.000 1.049 270 V CA 1.462 63.768 62.300 0.009 0.000 1.024 270 V CB -0.459 31.375 31.823 0.018 0.000 0.648 270 V HN 0.343 nan 8.190 nan 0.000 0.447 271 L N -0.553 120.646 121.223 -0.039 0.000 2.079 271 L HA -0.261 4.079 4.340 0.001 0.000 0.210 271 L C 2.632 179.413 176.870 -0.147 0.000 1.081 271 L CA 1.667 56.477 54.840 -0.049 0.000 0.752 271 L CB -0.550 41.422 42.059 -0.143 0.000 0.896 271 L HN 0.415 nan 8.230 nan 0.000 0.433 272 Q N -0.478 119.193 119.800 -0.213 0.000 2.297 272 Q HA -0.056 4.285 4.340 0.001 0.000 0.204 272 Q C 1.346 177.406 176.000 0.101 0.000 0.962 272 Q CA 0.772 56.407 55.803 -0.280 0.000 0.879 272 Q CB 0.089 28.694 28.738 -0.222 0.000 0.947 272 Q HN 0.581 nan 8.270 nan 0.000 0.462 273 S N 0.060 115.804 115.700 0.073 0.000 2.640 273 S HA 0.052 4.522 4.470 0.001 0.000 0.262 273 S C 0.483 175.148 174.600 0.108 0.000 1.232 273 S CA -0.600 57.657 58.200 0.094 0.000 0.988 273 S CB 0.692 63.914 63.200 0.038 0.000 1.034 273 S HN -0.003 nan 8.310 nan 0.000 0.569 274 D N -0.211 120.234 120.400 0.075 0.000 2.339 274 D HA 0.123 4.763 4.640 0.001 0.000 0.217 274 D C 1.460 177.783 176.300 0.039 0.000 1.050 274 D CA -0.049 53.992 54.000 0.067 0.000 0.856 274 D CB -0.130 40.697 40.800 0.046 0.000 0.922 274 D HN 0.390 nan 8.370 nan 0.000 0.518 275 L N 0.641 121.882 121.223 0.030 0.000 2.013 275 L HA -0.097 4.244 4.340 0.001 0.000 0.212 275 L C 0.619 177.484 176.870 -0.009 0.000 1.073 275 L CA 1.616 56.466 54.840 0.018 0.000 0.753 275 L CB -0.064 42.017 42.059 0.037 0.000 0.890 275 L HN -0.084 nan 8.230 nan 0.000 0.432 276 I N 0.131 120.685 120.570 -0.027 0.000 2.339 276 I HA 0.214 4.384 4.170 0.001 0.000 0.290 276 I C 0.024 176.035 176.117 -0.177 0.000 0.994 276 I CA -0.286 60.922 61.300 -0.153 0.000 1.191 276 I CB 1.185 39.038 38.000 -0.245 0.000 1.343 276 I HN 0.163 nan 8.210 nan 0.000 0.458 277 Q N 5.624 125.306 119.800 -0.196 0.000 2.243 277 Q HA 0.438 4.778 4.340 0.001 0.000 0.252 277 Q C -1.631 174.222 176.000 -0.245 0.000 0.909 277 Q CA -0.493 55.248 55.803 -0.104 0.000 0.922 277 Q CB 1.268 29.977 28.738 -0.047 0.000 1.215 277 Q HN 0.471 nan 8.270 nan 0.000 0.427 278 F N 2.913 122.916 119.950 0.089 0.000 2.426 278 F HA 0.400 4.927 4.527 0.000 0.000 0.348 278 F C 0.251 176.121 175.800 0.117 0.000 1.124 278 F CA -0.596 57.501 58.000 0.162 0.000 1.008 278 F CB 1.429 40.560 39.000 0.218 0.000 1.139 278 F HN 0.224 nan 8.300 nan 0.000 0.452 279 K N 6.073 126.586 120.400 0.190 0.000 2.394 279 K HA 0.419 4.739 4.320 0.001 0.000 0.260 279 K C -2.730 173.687 176.600 -0.306 0.000 0.967 279 K CA -2.087 54.192 56.287 -0.012 0.000 0.855 279 K CB 1.814 34.293 32.500 -0.035 0.000 1.101 279 K HN 0.206 nan 8.250 nan 0.000 0.433 280 P HA 0.080 nan 4.420 nan 0.000 0.274 280 P C -0.944 176.388 177.300 0.053 0.000 1.246 280 P CA -0.361 62.639 63.100 -0.167 0.000 0.795 280 P CB 0.779 32.368 31.700 -0.185 0.000 1.006 281 K N 0.672 121.122 120.400 0.084 0.000 2.485 281 K HA 0.106 4.426 4.320 0.001 0.000 0.277 281 K C 0.396 177.059 176.600 0.105 0.000 0.990 281 K CA -0.176 56.189 56.287 0.130 0.000 0.994 281 K CB -0.238 32.301 32.500 0.066 0.000 0.906 281 K HN 0.370 nan 8.250 nan 0.000 0.488 282 L N 4.576 125.811 121.223 0.020 0.000 2.506 282 L HA 0.046 4.386 4.340 0.001 0.000 0.281 282 L C -1.590 175.141 176.870 -0.232 0.000 1.228 282 L CA -1.589 53.140 54.840 -0.185 0.000 0.850 282 L CB -0.279 41.522 42.059 -0.431 0.000 1.110 282 L HN 0.488 nan 8.230 nan 0.000 0.496 283 P HA 0.022 nan 4.420 nan 0.000 0.270 283 P C 0.562 177.607 177.300 -0.425 0.000 1.223 283 P CA -0.248 62.636 63.100 -0.361 0.000 0.785 283 P CB 0.501 31.920 31.700 -0.469 0.000 0.923 284 T N 0.785 115.228 114.554 -0.184 0.000 2.653 284 T HA -0.181 4.170 4.350 0.001 0.000 0.268 284 T C 1.610 176.256 174.700 -0.090 0.000 1.035 284 T CA 1.976 64.021 62.100 -0.092 0.000 1.154 284 T CB -0.697 68.181 68.868 0.017 0.000 0.862 284 T HN 0.641 nan 8.240 nan 0.000 0.441 285 W N 2.578 123.865 121.300 -0.021 0.000 2.318 285 W HA -0.196 4.464 4.660 0.000 0.000 0.313 285 W C 2.019 178.485 176.519 -0.087 0.000 1.221 285 W CA 1.516 58.839 57.345 -0.036 0.000 1.266 285 W CB -1.025 28.418 29.460 -0.030 0.000 1.150 285 W HN 0.186 nan 8.180 nan 0.000 0.496 286 K N 1.476 121.310 120.400 -0.943 0.000 2.097 286 K HA -0.097 4.223 4.320 0.001 0.000 0.205 286 K C 1.941 178.260 176.600 -0.468 0.000 1.050 286 K CA 2.183 57.925 56.287 -0.910 0.000 0.938 286 K CB -0.681 30.964 32.500 -1.425 0.000 0.718 286 K HN 0.086 nan 8.250 nan 0.000 0.442 287 V N 1.611 121.319 119.914 -0.343 0.000 2.358 287 V HA -0.184 3.936 4.120 0.001 0.000 0.246 287 V C 2.386 178.503 176.094 0.037 0.000 1.047 287 V CA 1.696 63.927 62.300 -0.115 0.000 1.035 287 V CB -0.519 31.280 31.823 -0.040 0.000 0.658 287 V HN 0.287 nan 8.190 nan 0.000 0.452 288 R N 0.638 121.147 120.500 0.015 0.000 2.081 288 R HA -0.057 4.284 4.340 0.001 0.000 0.235 288 R C 2.432 178.764 176.300 0.053 0.000 1.131 288 R CA 1.556 57.699 56.100 0.071 0.000 0.960 288 R CB -1.213 29.131 30.300 0.073 0.000 0.856 288 R HN 0.524 nan 8.270 nan 0.000 0.436 289 A N 1.517 124.332 122.820 -0.008 0.000 1.883 289 A HA -0.148 4.172 4.320 0.001 0.000 0.217 289 A C 2.365 179.882 177.584 -0.112 0.000 1.186 289 A CA 1.374 53.380 52.037 -0.053 0.000 0.624 289 A CB -0.587 18.352 19.000 -0.102 0.000 0.822 289 A HN 0.195 nan 8.150 nan 0.000 0.444 290 I N -2.179 118.265 120.570 -0.210 0.000 2.163 290 I HA -0.288 3.882 4.170 0.001 0.000 0.243 290 I C 2.209 178.140 176.117 -0.311 0.000 1.085 290 I CA 1.576 62.672 61.300 -0.339 0.000 1.347 290 I CB -0.357 37.340 38.000 -0.505 0.000 1.044 290 I HN 0.425 nan 8.210 nan 0.000 0.408 291 Y N 0.058 120.332 120.300 -0.045 0.000 2.544 291 Y HA -0.066 4.484 4.550 0.001 0.000 0.286 291 Y C 2.464 178.372 175.900 0.013 0.000 1.141 291 Y CA 0.510 58.603 58.100 -0.011 0.000 1.299 291 Y CB -0.088 38.362 38.460 -0.016 0.000 1.030 291 Y HN 0.203 nan 8.280 nan 0.000 0.543 292 Q N -1.082 118.795 119.800 0.128 0.000 2.354 292 Q HA 0.008 4.349 4.340 0.001 0.000 0.203 292 Q C -0.019 176.028 176.000 0.078 0.000 0.933 292 Q CA 0.058 55.921 55.803 0.100 0.000 0.901 292 Q CB 0.244 29.039 28.738 0.094 0.000 1.007 292 Q HN 0.252 nan 8.270 nan 0.000 0.495 293 F N 1.472 121.374 119.950 -0.081 0.000 2.410 293 F HA 0.062 4.589 4.527 0.001 0.000 0.334 293 F C -0.012 175.750 175.800 -0.064 0.000 1.134 293 F CA -0.340 57.598 58.000 -0.103 0.000 1.227 293 F CB 0.808 39.726 39.000 -0.136 0.000 1.194 293 F HN -0.113 nan 8.300 nan 0.000 0.571 294 D N 3.741 124.000 120.400 -0.236 0.000 2.193 294 D HA 0.236 4.876 4.640 0.001 0.000 0.244 294 D C -0.650 175.652 176.300 0.004 0.000 1.064 294 D CA -0.258 53.679 54.000 -0.105 0.000 0.845 294 D CB 1.638 42.337 40.800 -0.169 0.000 1.148 294 D HN 0.316 nan 8.370 nan 0.000 0.464 295 M N 2.814 122.429 119.600 0.024 0.000 2.111 295 M HA 0.484 4.964 4.480 0.001 0.000 0.351 295 M C -0.622 175.660 176.300 -0.029 0.000 1.214 295 M CA -0.405 54.913 55.300 0.030 0.000 1.120 295 M CB 0.495 33.125 32.600 0.051 0.000 1.443 295 M HN 0.381 nan 8.290 nan 0.000 0.429 296 A N 4.171 126.921 122.820 -0.115 0.000 2.272 296 A HA 0.764 5.085 4.320 0.001 0.000 0.275 296 A C -0.820 176.596 177.584 -0.280 0.000 1.096 296 A CA -0.667 51.246 52.037 -0.206 0.000 0.822 296 A CB 0.653 19.510 19.000 -0.238 0.000 1.088 296 A HN 0.680 nan 8.150 nan 0.000 0.495 297 V N -0.022 119.756 119.914 -0.226 0.000 2.604 297 V HA 0.446 4.567 4.120 0.001 0.000 0.305 297 V C -1.166 174.882 176.094 -0.077 0.000 1.043 297 V CA -0.320 61.897 62.300 -0.137 0.000 0.888 297 V CB 1.281 33.062 31.823 -0.070 0.000 0.995 297 V HN 0.769 nan 8.190 nan 0.000 0.429 298 Y N 2.302 122.503 120.300 -0.165 0.000 2.327 298 Y HA 0.574 5.125 4.550 0.001 0.000 0.325 298 Y C -0.079 175.893 175.900 0.121 0.000 0.999 298 Y CA -0.218 57.869 58.100 -0.022 0.000 1.195 298 Y CB 1.844 40.307 38.460 0.005 0.000 1.132 298 Y HN 0.675 nan 8.280 nan 0.000 0.455 299 T N 7.675 122.213 114.554 -0.027 0.000 2.788 299 T HA 0.338 4.689 4.350 0.001 0.000 0.296 299 T C -0.141 174.552 174.700 -0.012 0.000 1.009 299 T CA -0.501 61.652 62.100 0.088 0.000 0.949 299 T CB 0.416 69.325 68.868 0.068 0.000 0.946 299 T HN 0.626 nan 8.240 nan 0.000 0.453 300 M N 4.381 124.070 119.600 0.148 0.000 2.664 300 M HA 0.353 4.833 4.480 0.001 0.000 0.332 300 M C -0.275 175.984 176.300 -0.068 0.000 1.354 300 M CA -0.220 55.106 55.300 0.044 0.000 1.399 300 M CB -0.292 32.468 32.600 0.267 0.000 1.224 300 M HN 0.472 nan 8.290 nan 0.000 0.479 301 I N 2.860 123.337 120.570 -0.155 0.000 2.436 301 I HA 0.155 4.325 4.170 0.001 0.000 0.289 301 I C -0.543 175.405 176.117 -0.282 0.000 1.083 301 I CA 0.121 61.344 61.300 -0.129 0.000 1.372 301 I CB 0.147 38.097 38.000 -0.083 0.000 1.408 301 I HN 0.390 nan 8.210 nan 0.000 0.516 302 F N 6.819 126.641 119.950 -0.213 0.000 2.443 302 F HA 0.617 5.144 4.527 0.001 0.000 0.335 302 F C -0.092 175.513 175.800 -0.326 0.000 1.104 302 F CA -0.546 57.244 58.000 -0.349 0.000 1.013 302 F CB 1.394 39.882 39.000 -0.853 0.000 1.136 302 F HN 0.186 nan 8.300 nan 0.000 0.470 303 L N 2.930 124.236 121.223 0.138 0.000 2.401 303 L HA 0.555 4.896 4.340 0.001 0.000 0.266 303 L C -0.867 176.089 176.870 0.143 0.000 0.991 303 L CA -1.002 53.904 54.840 0.109 0.000 0.818 303 L CB 2.179 44.212 42.059 -0.045 0.000 1.321 303 L HN 0.361 nan 8.230 nan 0.000 0.413 304 K N 1.817 122.202 120.400 -0.024 0.000 2.244 304 K HA 0.716 5.036 4.320 0.001 0.000 0.260 304 K C -1.648 174.725 176.600 -0.378 0.000 0.951 304 K CA -0.108 56.111 56.287 -0.115 0.000 0.826 304 K CB 0.874 33.272 32.500 -0.172 0.000 1.108 304 K HN 0.287 nan 8.250 nan 0.000 0.433 305 F N 4.855 124.966 119.950 0.269 0.000 2.546 305 F HA 0.400 4.927 4.527 0.000 0.000 0.320 305 F C -1.438 174.468 175.800 0.177 0.000 1.076 305 F CA -2.218 55.945 58.000 0.272 0.000 0.928 305 F CB 1.880 41.145 39.000 0.441 0.000 1.189 305 F HN 0.524 nan 8.300 nan 0.000 0.465 306 P HA -0.098 nan 4.420 nan 0.000 0.216 306 P C -0.455 176.934 177.300 0.149 0.000 1.153 306 P CA 1.476 64.684 63.100 0.181 0.000 0.848 306 P CB 0.177 31.965 31.700 0.147 0.000 0.787 307 R N -1.178 119.425 120.500 0.171 0.000 2.888 307 R HA 0.559 4.899 4.340 0.001 0.000 0.264 307 R C -0.550 175.730 176.300 -0.033 0.000 1.045 307 R CA -1.131 54.997 56.100 0.046 0.000 0.962 307 R CB 1.292 31.593 30.300 0.003 0.000 1.210 307 R HN -0.171 nan 8.270 nan 0.000 0.479 308 K N 0.131 120.315 120.400 -0.361 0.000 2.095 308 K HA 0.342 4.662 4.320 0.001 0.000 0.252 308 K C -0.614 175.467 176.600 -0.866 0.000 0.977 308 K CA -0.681 54.942 56.287 -1.106 0.000 0.900 308 K CB 0.791 32.391 32.500 -1.500 0.000 1.060 308 K HN 0.727 nan 8.250 nan 0.000 0.449 309 F N -1.960 117.353 119.950 -1.061 0.000 3.022 309 F HA 0.384 4.911 4.527 0.001 0.000 0.351 309 F C -0.994 174.319 175.800 -0.812 0.000 1.170 309 F CA -1.293 56.289 58.000 -0.697 0.000 1.066 309 F CB -0.367 38.330 39.000 -0.505 0.000 1.297 309 F HN 0.545 nan 8.300 nan 0.000 0.519 310 W N 1.321 122.026 121.300 -0.991 0.000 2.578 310 W HA 0.904 5.565 4.660 0.001 0.000 0.353 310 W C -2.801 173.416 176.519 -0.503 0.000 1.088 310 W CA -2.983 53.776 57.345 -0.975 0.000 1.235 310 W CB -0.585 28.240 29.460 -1.058 0.000 1.362 310 W HN -0.323 nan 8.180 nan 0.000 0.592 311 P HA 0.121 nan 4.420 nan 0.000 0.269 311 P C -0.888 176.380 177.300 -0.052 0.000 1.217 311 P CA 0.129 63.176 63.100 -0.088 0.000 0.783 311 P CB 0.675 32.368 31.700 -0.013 0.000 0.898 312 E N -0.495 119.649 120.200 -0.094 0.000 2.433 312 E HA 0.620 4.971 4.350 0.001 0.000 0.278 312 E C -0.459 176.084 176.600 -0.095 0.000 0.976 312 E CA -0.645 55.710 56.400 -0.075 0.000 0.793 312 E CB 2.066 31.703 29.700 -0.104 0.000 1.311 312 E HN 0.680 nan 8.360 nan 0.000 0.460 313 G N 1.531 110.270 108.800 -0.102 0.000 2.409 313 G HA2 -0.169 3.792 3.960 0.001 0.000 0.421 313 G HA3 -0.169 3.792 3.960 0.001 0.000 0.421 313 G C -0.924 173.883 174.900 -0.155 0.000 1.259 313 G CA -0.644 44.385 45.100 -0.118 0.000 1.011 313 G HN 0.477 nan 8.290 nan 0.000 0.497 314 K N 0.853 121.139 120.400 -0.189 0.000 2.530 314 K HA 0.337 4.657 4.320 0.001 0.000 0.280 314 K C 1.547 177.887 176.600 -0.433 0.000 1.004 314 K CA 1.585 57.688 56.287 -0.306 0.000 1.071 314 K CB -0.315 31.988 32.500 -0.329 0.000 0.876 314 K HN 2.391 nan 8.250 nan 0.000 0.487 315 G N 3.723 112.219 108.800 -0.506 0.000 2.233 315 G HA2 -0.283 3.677 3.960 0.001 0.000 0.270 315 G HA3 -0.283 3.677 3.960 0.001 0.000 0.270 315 G C 0.556 175.423 174.900 -0.055 0.000 1.011 315 G CA 0.394 45.291 45.100 -0.338 0.000 0.762 315 G HN 0.662 nan 8.290 nan 0.000 0.511 316 R N -0.278 120.171 120.500 -0.085 0.000 2.362 316 R HA 0.215 4.555 4.340 0.001 0.000 0.227 316 R C 1.853 178.144 176.300 -0.015 0.000 0.905 316 R CA 0.577 56.663 56.100 -0.024 0.000 1.067 316 R CB -0.100 30.165 30.300 -0.058 0.000 1.078 316 R HN 0.718 nan 8.270 nan 0.000 0.516 317 E N -0.009 120.097 120.200 -0.157 0.000 2.072 317 E HA -0.062 4.288 4.350 0.001 0.000 0.191 317 E C -0.559 175.730 176.600 -0.518 0.000 0.985 317 E CA 0.900 57.019 56.400 -0.470 0.000 0.801 317 E CB 0.216 29.431 29.700 -0.809 0.000 0.750 317 E HN 0.049 nan 8.360 nan 0.000 0.452 318 F N 0.193 120.240 119.950 0.162 0.000 2.469 318 F HA 0.399 4.927 4.527 0.001 0.000 0.332 318 F C -0.366 175.659 175.800 0.376 0.000 1.103 318 F CA -1.229 56.894 58.000 0.205 0.000 0.979 318 F CB 1.364 40.487 39.000 0.205 0.000 1.137 318 F HN -0.101 nan 8.300 nan 0.000 0.463 319 F N 0.755 120.896 119.950 0.319 0.000 2.631 319 F HA 0.838 5.365 4.527 0.001 0.000 0.308 319 F C -2.130 173.880 175.800 0.349 0.000 1.097 319 F CA -1.428 56.759 58.000 0.311 0.000 0.952 319 F CB 1.314 40.515 39.000 0.335 0.000 1.307 319 F HN 0.205 nan 8.300 nan 0.000 0.450 320 L N 2.239 123.740 121.223 0.464 0.000 2.333 320 L HA 0.501 4.841 4.340 0.001 0.000 0.269 320 L C -1.596 175.585 176.870 0.519 0.000 1.010 320 L CA -1.230 53.832 54.840 0.370 0.000 0.818 320 L CB 2.204 44.383 42.059 0.201 0.000 1.306 320 L HN 0.734 nan 8.230 nan 0.000 0.430 321 Y N 1.497 121.989 120.300 0.320 0.000 2.345 321 Y HA 0.576 5.127 4.550 0.001 0.000 0.331 321 Y C -0.030 176.015 175.900 0.242 0.000 0.959 321 Y CA -1.271 57.008 58.100 0.299 0.000 1.204 321 Y CB 1.588 40.251 38.460 0.340 0.000 1.135 321 Y HN 0.570 nan 8.280 nan 0.000 0.477 322 A N 5.075 127.831 122.820 -0.107 0.000 3.004 322 A HA 0.349 4.669 4.320 0.001 0.000 0.286 322 A C 0.475 177.855 177.584 -0.339 0.000 1.632 322 A CA -0.040 51.925 52.037 -0.121 0.000 1.339 322 A CB -0.811 18.215 19.000 0.042 0.000 1.136 322 A HN 0.667 nan 8.150 nan 0.000 0.577 323 S N 0.914 116.366 115.700 -0.413 0.000 2.584 323 S HA 0.164 4.634 4.470 0.001 0.000 0.270 323 S C 1.684 176.230 174.600 -0.091 0.000 1.346 323 S CA 0.200 58.239 58.200 -0.267 0.000 1.018 323 S CB 0.522 63.763 63.200 0.069 0.000 0.899 323 S HN 1.228 nan 8.310 nan 0.000 0.542 324 S N 2.946 118.614 115.700 -0.054 0.000 2.522 324 S HA 0.038 4.509 4.470 0.001 0.000 0.227 324 S C 0.772 175.360 174.600 -0.020 0.000 0.986 324 S CA 0.052 58.238 58.200 -0.023 0.000 0.929 324 S CB -0.174 63.017 63.200 -0.014 0.000 0.769 324 S HN 0.721 nan 8.310 nan 0.000 0.529 325 R N 1.863 122.347 120.500 -0.028 0.000 2.247 325 R HA 0.323 4.664 4.340 0.001 0.000 0.329 325 R C -0.243 176.075 176.300 0.031 0.000 1.014 325 R CA -0.708 55.374 56.100 -0.029 0.000 0.907 325 R CB 0.496 30.709 30.300 -0.144 0.000 1.146 325 R HN 0.252 nan 8.270 nan 0.000 0.499 326 R N 2.764 123.283 120.500 0.033 0.000 2.504 326 R HA -0.058 4.283 4.340 0.001 0.000 0.291 326 R C 0.475 176.792 176.300 0.029 0.000 0.974 326 R CA 1.885 58.015 56.100 0.050 0.000 1.077 326 R CB 0.126 30.479 30.300 0.087 0.000 0.926 326 R HN 1.011 nan 8.270 nan 0.000 0.407 327 G N 3.371 112.088 108.800 -0.139 0.000 2.143 327 G HA2 -0.332 3.629 3.960 0.001 0.000 0.248 327 G HA3 -0.332 3.629 3.960 0.001 0.000 0.248 327 G C -0.457 174.266 174.900 -0.296 0.000 0.991 327 G CA 0.347 45.165 45.100 -0.470 0.000 0.689 327 G HN 0.719 nan 8.290 nan 0.000 0.522 328 Y N 0.927 121.085 120.300 -0.237 0.000 2.535 328 Y HA 0.463 5.014 4.550 0.001 0.000 0.349 328 Y C 1.020 176.923 175.900 0.005 0.000 0.992 328 Y CA -0.901 57.100 58.100 -0.164 0.000 1.248 328 Y CB -0.408 38.060 38.460 0.014 0.000 1.124 328 Y HN 0.373 nan 8.280 nan 0.000 0.520 329 Y N 2.662 122.758 120.300 -0.340 0.000 3.037 329 Y HA -0.308 4.243 4.550 0.001 0.000 0.204 329 Y C 1.466 177.349 175.900 -0.028 0.000 1.275 329 Y CA 0.547 58.463 58.100 -0.307 0.000 1.066 329 Y CB -1.135 37.144 38.460 -0.302 0.000 1.305 329 Y HN 0.832 nan 8.280 nan 0.000 0.499 330 G N -0.825 107.922 108.800 -0.088 0.000 2.833 330 G HA2 0.325 4.285 3.960 0.001 0.000 0.210 330 G HA3 0.325 4.285 3.960 0.001 0.000 0.210 330 G C 0.008 174.923 174.900 0.025 0.000 1.139 330 G CA 0.538 45.663 45.100 0.041 0.000 0.771 330 G HN 0.176 nan 8.290 nan 0.000 0.535 331 V N 0.761 120.540 119.914 -0.224 0.000 2.378 331 V HA 0.556 4.676 4.120 0.001 0.000 0.288 331 V C -1.272 174.562 176.094 -0.432 0.000 1.016 331 V CA -0.988 61.171 62.300 -0.234 0.000 0.840 331 V CB 1.008 32.609 31.823 -0.370 0.000 0.994 331 V HN 0.265 nan 8.190 nan 0.000 0.431 332 W N 2.601 123.638 121.300 -0.439 0.000 2.736 332 W HA 0.729 5.389 4.660 0.001 0.000 0.335 332 W C -0.073 176.058 176.519 -0.647 0.000 1.059 332 W CA -0.423 56.474 57.345 -0.746 0.000 1.226 332 W CB 1.640 30.109 29.460 -1.651 0.000 1.416 332 W HN 0.444 nan 8.180 nan 0.000 0.505 333 Q N 2.239 121.890 119.800 -0.248 0.000 2.347 333 Q HA 0.392 4.732 4.340 0.001 0.000 0.271 333 Q C -1.051 174.570 176.000 -0.632 0.000 1.064 333 Q CA -0.764 54.827 55.803 -0.354 0.000 0.800 333 Q CB 2.327 30.947 28.738 -0.197 0.000 1.304 333 Q HN 0.590 nan 8.270 nan 0.000 0.438 334 E N 1.801 121.606 120.200 -0.659 0.000 2.227 334 E HA 0.388 4.739 4.350 0.001 0.000 0.268 334 E C -1.291 174.866 176.600 -0.738 0.000 0.907 334 E CA -0.609 55.391 56.400 -0.666 0.000 0.786 334 E CB 0.906 30.378 29.700 -0.380 0.000 1.191 334 E HN 0.483 nan 8.360 nan 0.000 0.411 335 F N 1.456 121.399 119.950 -0.011 0.000 2.893 335 F HA 0.212 4.739 4.527 0.000 0.000 0.340 335 F C 1.114 176.877 175.800 -0.061 0.000 1.300 335 F CA -0.511 57.440 58.000 -0.081 0.000 1.227 335 F CB 0.288 39.363 39.000 0.127 0.000 1.044 335 F HN 0.677 nan 8.300 nan 0.000 0.512 336 E N 0.328 120.547 120.200 0.032 0.000 2.097 336 E HA -0.236 4.115 4.350 0.001 0.000 0.196 336 E C 1.658 178.192 176.600 -0.111 0.000 1.000 336 E CA 1.361 57.760 56.400 -0.002 0.000 0.804 336 E CB -0.129 29.550 29.700 -0.036 0.000 0.740 336 E HN 0.434 nan 8.360 nan 0.000 0.454 337 K N 0.358 120.595 120.400 -0.272 0.000 1.991 337 K HA -0.126 4.194 4.320 0.001 0.000 0.207 337 K C 2.379 178.657 176.600 -0.538 0.000 1.045 337 K CA 1.772 57.757 56.287 -0.503 0.000 0.937 337 K CB -0.061 31.920 32.500 -0.866 0.000 0.720 337 K HN 0.076 nan 8.250 nan 0.000 0.438 338 Q N -0.486 118.984 119.800 -0.550 0.000 2.016 338 Q HA -0.103 4.237 4.340 0.001 0.000 0.200 338 Q C 0.177 175.830 176.000 -0.579 0.000 0.978 338 Q CA 1.471 56.925 55.803 -0.582 0.000 0.833 338 Q CB 0.084 28.316 28.738 -0.844 0.000 0.895 338 Q HN 0.362 nan 8.270 nan 0.000 0.427 339 Y N -0.287 120.079 120.300 0.109 0.000 2.638 339 Y HA 0.392 4.942 4.550 0.001 0.000 0.367 339 Y C -2.249 173.717 175.900 0.110 0.000 1.001 339 Y CA -3.008 55.154 58.100 0.103 0.000 1.133 339 Y CB 0.375 38.884 38.460 0.082 0.000 1.199 339 Y HN 0.007 nan 8.280 nan 0.000 0.642 340 P HA -0.024 nan 4.420 nan 0.000 0.267 340 P C -0.155 177.217 177.300 0.120 0.000 1.200 340 P CA 0.328 63.488 63.100 0.100 0.000 0.772 340 P CB 0.579 32.306 31.700 0.045 0.000 0.855 341 D N 0.752 121.213 120.400 0.101 0.000 2.803 341 D HA -0.191 4.449 4.640 0.001 0.000 0.233 341 D C 0.660 177.034 176.300 0.124 0.000 1.182 341 D CA 1.419 55.471 54.000 0.088 0.000 0.726 341 D CB -1.156 39.674 40.800 0.049 0.000 0.987 341 D HN 0.503 nan 8.370 nan 0.000 0.412 342 A N 0.683 123.618 122.820 0.192 0.000 2.066 342 A HA 0.191 4.511 4.320 0.001 0.000 0.198 342 A C 0.881 178.613 177.584 0.246 0.000 1.405 342 A CA 0.484 52.640 52.037 0.199 0.000 0.973 342 A CB 0.483 19.634 19.000 0.250 0.000 1.026 342 A HN 0.212 nan 8.150 nan 0.000 0.474 343 N N -0.786 118.129 118.700 0.359 0.000 2.780 343 N HA -0.114 4.626 4.740 0.001 0.000 0.247 343 N C -0.860 175.024 175.510 0.624 0.000 1.076 343 N CA 1.024 54.400 53.050 0.542 0.000 0.688 343 N CB -1.747 36.980 38.487 0.400 0.000 0.957 343 N HN 0.294 nan 8.380 nan 0.000 0.551 344 V N 0.765 121.025 119.914 0.576 0.000 2.495 344 V HA 0.559 4.680 4.120 0.001 0.000 0.298 344 V C 0.549 176.912 176.094 0.448 0.000 1.031 344 V CA -0.716 61.907 62.300 0.538 0.000 0.871 344 V CB 2.327 34.477 31.823 0.544 0.000 0.988 344 V HN 0.168 nan 8.190 nan 0.000 0.432 345 L N 4.567 126.001 121.223 0.352 0.000 2.330 345 L HA 0.641 4.981 4.340 0.001 0.000 0.271 345 L C -0.977 176.051 176.870 0.263 0.000 1.013 345 L CA -0.873 54.074 54.840 0.178 0.000 0.816 345 L CB 2.029 44.207 42.059 0.199 0.000 1.287 345 L HN 0.459 nan 8.230 nan 0.000 0.435 346 L N 3.117 124.404 121.223 0.107 0.000 2.342 346 L HA 0.545 4.885 4.340 0.001 0.000 0.276 346 L C -0.923 175.775 176.870 -0.287 0.000 0.997 346 L CA -0.259 54.519 54.840 -0.104 0.000 0.838 346 L CB 1.702 43.789 42.059 0.046 0.000 1.224 346 L HN 0.309 nan 8.230 nan 0.000 0.416 347 V N 5.061 124.660 119.914 -0.525 0.000 2.472 347 V HA 0.659 4.779 4.120 0.001 0.000 0.290 347 V C -0.139 175.671 176.094 -0.474 0.000 1.037 347 V CA 0.010 61.778 62.300 -0.887 0.000 0.908 347 V CB 2.006 32.840 31.823 -1.648 0.000 0.985 347 V HN 0.925 nan 8.190 nan 0.000 0.454 348 T N 6.396 120.722 114.554 -0.380 0.000 2.824 348 T HA 0.684 5.035 4.350 0.001 0.000 0.280 348 T C -0.495 174.070 174.700 -0.226 0.000 0.995 348 T CA -0.292 61.662 62.100 -0.245 0.000 1.009 348 T CB 1.445 70.254 68.868 -0.098 0.000 0.955 348 T HN 1.009 nan 8.240 nan 0.000 0.452 349 V N 0.379 120.166 119.914 -0.212 0.000 3.078 349 V HA 1.011 5.131 4.120 0.001 0.000 0.311 349 V C -0.332 175.712 176.094 -0.084 0.000 1.138 349 V CA -0.919 61.297 62.300 -0.139 0.000 1.007 349 V CB 1.852 33.528 31.823 -0.244 0.000 1.045 349 V HN 1.034 nan 8.190 nan 0.000 0.432 350 T N -1.615 112.959 114.554 0.034 0.000 2.838 350 T HA 0.692 5.043 4.350 0.001 0.000 0.292 350 T C 0.053 174.746 174.700 -0.012 0.000 1.113 350 T CA 0.514 62.622 62.100 0.013 0.000 1.008 350 T CB 1.703 70.603 68.868 0.053 0.000 1.259 350 T HN 1.538 nan 8.240 nan 0.000 0.520 351 D N 0.277 120.640 120.400 -0.062 0.000 3.927 351 D HA -0.277 4.364 4.640 0.001 0.000 0.142 351 D C 1.227 177.443 176.300 -0.141 0.000 0.830 351 D CA 2.054 55.995 54.000 -0.099 0.000 1.091 351 D CB -1.016 39.760 40.800 -0.040 0.000 0.495 351 D HN 0.845 nan 8.370 nan 0.000 0.489 352 E N -0.211 119.935 120.200 -0.091 0.000 2.153 352 E HA -0.181 4.169 4.350 0.001 0.000 0.194 352 E C 1.749 178.290 176.600 -0.098 0.000 0.988 352 E CA 1.082 57.421 56.400 -0.101 0.000 0.811 352 E CB -0.032 29.642 29.700 -0.045 0.000 0.746 352 E HN 0.334 nan 8.360 nan 0.000 0.466 353 E N -0.157 119.998 120.200 -0.075 0.000 2.216 353 E HA -0.043 4.307 4.350 0.001 0.000 0.192 353 E C 2.111 178.648 176.600 -0.104 0.000 0.988 353 E CA 0.242 56.587 56.400 -0.093 0.000 0.834 353 E CB 0.125 29.743 29.700 -0.137 0.000 0.772 353 E HN 0.052 nan 8.360 nan 0.000 0.479 354 S N 0.711 116.347 115.700 -0.107 0.000 2.348 354 S HA -0.107 4.364 4.470 0.001 0.000 0.221 354 S C 1.923 176.466 174.600 -0.095 0.000 1.033 354 S CA 0.943 59.096 58.200 -0.079 0.000 1.010 354 S CB -0.015 63.140 63.200 -0.076 0.000 0.891 354 S HN 0.224 nan 8.310 nan 0.000 0.442 355 R N 0.617 120.953 120.500 -0.273 0.000 2.120 355 R HA -0.006 4.334 4.340 0.001 0.000 0.234 355 R C 2.590 178.830 176.300 -0.100 0.000 1.123 355 R CA 1.088 56.919 56.100 -0.449 0.000 0.975 355 R CB -0.217 29.558 30.300 -0.875 0.000 0.866 355 R HN 0.301 nan 8.270 nan 0.000 0.446 356 R N 1.003 121.467 120.500 -0.061 0.000 2.066 356 R HA -0.084 4.256 4.340 0.001 0.000 0.232 356 R C 2.124 178.465 176.300 0.067 0.000 1.131 356 R CA 1.360 57.473 56.100 0.022 0.000 0.955 356 R CB -0.184 30.125 30.300 0.015 0.000 0.851 356 R HN 0.124 nan 8.270 nan 0.000 0.432 357 I N 1.045 121.644 120.570 0.049 0.000 2.252 357 I HA -0.224 3.946 4.170 0.001 0.000 0.245 357 I C 2.172 178.359 176.117 0.117 0.000 1.102 357 I CA 1.415 62.764 61.300 0.081 0.000 1.385 357 I CB -0.187 37.843 38.000 0.049 0.000 1.064 357 I HN 0.281 nan 8.210 nan 0.000 0.414 358 E N 0.165 120.455 120.200 0.151 0.000 2.160 358 E HA -0.286 4.065 4.350 0.001 0.000 0.195 358 E C 2.095 178.812 176.600 0.195 0.000 0.991 358 E CA 1.066 57.590 56.400 0.206 0.000 0.810 358 E CB -0.073 29.834 29.700 0.345 0.000 0.742 358 E HN 0.571 nan 8.360 nan 0.000 0.466 359 Q N 0.176 120.101 119.800 0.208 0.000 2.378 359 Q HA -0.063 4.278 4.340 0.001 0.000 0.205 359 Q C 0.783 176.853 176.000 0.118 0.000 0.954 359 Q CA 0.348 56.254 55.803 0.171 0.000 0.901 359 Q CB 0.280 29.135 28.738 0.196 0.000 0.981 359 Q HN 0.280 nan 8.270 nan 0.000 0.483 360 Q N -0.075 119.792 119.800 0.112 0.000 2.215 360 Q HA 0.366 4.706 4.340 0.001 0.000 0.256 360 Q C -0.345 175.707 176.000 0.087 0.000 0.972 360 Q CA -0.665 55.195 55.803 0.096 0.000 0.889 360 Q CB 1.310 30.109 28.738 0.102 0.000 1.281 360 Q HN -0.020 nan 8.270 nan 0.000 0.456 361 S N 1.084 116.830 115.700 0.077 0.000 2.568 361 S HA -0.009 4.461 4.470 0.001 0.000 0.282 361 S C 0.109 174.753 174.600 0.074 0.000 1.338 361 S CA 0.050 58.291 58.200 0.068 0.000 1.045 361 S CB 0.636 63.872 63.200 0.060 0.000 0.873 361 S HN 0.729 nan 8.310 nan 0.000 0.516 362 D N 1.580 122.022 120.400 0.068 0.000 2.149 362 D HA -0.081 4.559 4.640 0.001 0.000 0.198 362 D C 1.895 178.237 176.300 0.070 0.000 0.990 362 D CA 1.370 55.413 54.000 0.071 0.000 0.839 362 D CB -0.073 40.767 40.800 0.067 0.000 0.948 362 D HN 0.652 nan 8.370 nan 0.000 0.460 363 E N 0.213 120.451 120.200 0.064 0.000 2.051 363 E HA -0.177 4.174 4.350 0.001 0.000 0.192 363 E C 2.047 178.687 176.600 0.067 0.000 0.991 363 E CA 0.736 57.173 56.400 0.061 0.000 0.799 363 E CB -0.366 29.366 29.700 0.054 0.000 0.748 363 E HN 0.208 nan 8.360 nan 0.000 0.449 364 Q N 0.641 120.485 119.800 0.073 0.000 2.135 364 Q HA -0.103 4.237 4.340 0.001 0.000 0.204 364 Q C 2.010 178.068 176.000 0.098 0.000 0.981 364 Q CA 1.952 57.806 55.803 0.084 0.000 0.856 364 Q CB -0.658 28.133 28.738 0.088 0.000 0.902 364 Q HN 0.209 nan 8.270 nan 0.000 0.425 365 T N 0.193 114.807 114.554 0.101 0.000 2.708 365 T HA -0.159 4.192 4.350 0.001 0.000 0.266 365 T C 1.633 176.359 174.700 0.045 0.000 1.037 365 T CA 1.600 63.768 62.100 0.113 0.000 1.146 365 T CB -0.224 68.716 68.868 0.120 0.000 0.865 365 T HN 0.345 nan 8.240 nan 0.000 0.435 366 K N 0.822 121.251 120.400 0.047 0.000 2.097 366 K HA -0.049 4.272 4.320 0.001 0.000 0.206 366 K C 2.483 179.106 176.600 0.038 0.000 1.049 366 K CA 1.127 57.438 56.287 0.039 0.000 0.933 366 K CB -0.295 32.242 32.500 0.061 0.000 0.717 366 K HN 0.286 nan 8.250 nan 0.000 0.442 367 A N 1.404 124.255 122.820 0.052 0.000 1.865 367 A HA -0.231 4.089 4.320 0.001 0.000 0.217 367 A C 1.867 179.479 177.584 0.048 0.000 1.191 367 A CA 1.855 53.926 52.037 0.057 0.000 0.623 367 A CB -0.587 18.453 19.000 0.068 0.000 0.826 367 A HN 0.451 nan 8.150 nan 0.000 0.444 368 E N -0.408 119.825 120.200 0.055 0.000 2.070 368 E HA -0.206 4.144 4.350 0.001 0.000 0.197 368 E C 1.924 178.446 176.600 -0.130 0.000 1.004 368 E CA 1.477 57.915 56.400 0.063 0.000 0.805 368 E CB -0.353 29.461 29.700 0.190 0.000 0.744 368 E HN 0.701 nan 8.360 nan 0.000 0.451 369 I N 0.441 120.831 120.570 -0.301 0.000 2.286 369 I HA -0.276 3.894 4.170 0.001 0.000 0.248 369 I C 2.357 178.451 176.117 -0.037 0.000 1.115 369 I CA 0.653 61.758 61.300 -0.324 0.000 1.392 369 I CB -0.132 37.726 38.000 -0.237 0.000 1.065 369 I HN 0.194 nan 8.210 nan 0.000 0.418 370 M N -0.095 119.519 119.600 0.024 0.000 2.086 370 M HA -0.245 4.235 4.480 0.001 0.000 0.261 370 M C 2.303 178.605 176.300 0.003 0.000 1.067 370 M CA 1.704 57.036 55.300 0.053 0.000 1.116 370 M CB -1.273 31.370 32.600 0.071 0.000 1.348 370 M HN 0.244 nan 8.290 nan 0.000 0.407 371 Q N -0.199 119.611 119.800 0.016 0.000 2.077 371 Q HA -0.164 4.176 4.340 0.001 0.000 0.206 371 Q C 2.009 178.010 176.000 0.003 0.000 0.989 371 Q CA 2.126 57.947 55.803 0.029 0.000 0.853 371 Q CB -0.011 28.775 28.738 0.080 0.000 0.907 371 Q HN 0.316 nan 8.270 nan 0.000 0.418 372 V N 0.645 120.542 119.914 -0.028 0.000 2.287 372 V HA -0.295 3.825 4.120 0.001 0.000 0.248 372 V C 2.273 178.194 176.094 -0.287 0.000 1.053 372 V CA 1.784 63.978 62.300 -0.177 0.000 1.027 372 V CB -0.516 31.174 31.823 -0.222 0.000 0.646 372 V HN 0.414 nan 8.190 nan 0.000 0.447 373 L N -0.808 120.302 121.223 -0.187 0.000 2.131 373 L HA -0.179 4.161 4.340 0.001 0.000 0.210 373 L C 2.724 179.552 176.870 -0.070 0.000 1.092 373 L CA 1.540 56.295 54.840 -0.142 0.000 0.759 373 L CB -0.453 41.592 42.059 -0.024 0.000 0.903 373 L HN 0.226 nan 8.230 nan 0.000 0.435 374 R N -0.203 120.242 120.500 -0.091 0.000 2.090 374 R HA -0.103 4.237 4.340 0.001 0.000 0.228 374 R C 2.270 178.543 176.300 -0.044 0.000 1.110 374 R CA 0.991 57.049 56.100 -0.070 0.000 0.973 374 R CB -0.026 30.237 30.300 -0.061 0.000 0.869 374 R HN 0.292 nan 8.270 nan 0.000 0.440 375 K N 0.002 120.372 120.400 -0.051 0.000 2.097 375 K HA -0.080 4.241 4.320 0.001 0.000 0.205 375 K C 1.966 178.533 176.600 -0.055 0.000 1.050 375 K CA 1.271 57.552 56.287 -0.011 0.000 0.938 375 K CB -0.018 32.524 32.500 0.070 0.000 0.718 375 K HN 0.206 nan 8.250 nan 0.000 0.442 376 M N -0.398 119.068 119.600 -0.222 0.000 2.319 376 M HA -0.031 4.449 4.480 0.001 0.000 0.265 376 M C 0.122 176.013 176.300 -0.681 0.000 1.068 376 M CA 1.292 56.300 55.300 -0.487 0.000 1.118 376 M CB 0.296 32.294 32.600 -1.004 0.000 1.395 376 M HN -0.040 nan 8.290 nan 0.000 0.435 377 F N 0.256 120.190 119.950 -0.026 0.000 2.577 377 F HA 0.353 4.880 4.527 0.001 0.000 0.342 377 F C -2.309 173.465 175.800 -0.043 0.000 1.479 377 F CA -2.759 55.239 58.000 -0.003 0.000 1.110 377 F CB -0.199 38.804 39.000 0.006 0.000 1.306 377 F HN -0.130 nan 8.300 nan 0.000 0.554 378 P HA 0.256 nan 4.420 nan 0.000 0.275 378 P C 0.984 178.307 177.300 0.038 0.000 1.227 378 P CA 0.622 63.741 63.100 0.033 0.000 0.781 378 P CB 1.564 33.272 31.700 0.012 0.000 0.906 379 G N 1.066 109.874 108.800 0.012 0.000 2.205 379 G HA2 -0.208 3.752 3.960 0.001 0.000 0.261 379 G HA3 -0.208 3.752 3.960 0.001 0.000 0.261 379 G C 0.269 175.173 174.900 0.006 0.000 0.980 379 G CA 0.046 45.150 45.100 0.006 0.000 0.632 379 G HN 0.567 nan 8.290 nan 0.000 0.533 380 K N 0.761 121.173 120.400 0.021 0.000 2.098 380 K HA 0.423 4.743 4.320 0.001 0.000 0.257 380 K C -0.635 175.921 176.600 -0.073 0.000 0.999 380 K CA -0.517 55.762 56.287 -0.014 0.000 0.924 380 K CB 1.142 33.651 32.500 0.015 0.000 1.028 380 K HN 0.201 nan 8.250 nan 0.000 0.466 381 D N 1.592 121.935 120.400 -0.095 0.000 2.485 381 D HA 0.108 4.748 4.640 0.001 0.000 0.221 381 D C -0.773 175.407 176.300 -0.199 0.000 1.112 381 D CA -0.573 53.359 54.000 -0.114 0.000 0.911 381 D CB 0.263 41.022 40.800 -0.069 0.000 1.019 381 D HN 0.216 nan 8.370 nan 0.000 0.516 382 V N 3.058 122.770 119.914 -0.337 0.000 2.368 382 V HA 0.637 4.757 4.120 0.001 0.000 0.266 382 V C -2.354 173.527 176.094 -0.354 0.000 1.045 382 V CA -1.610 60.285 62.300 -0.675 0.000 0.899 382 V CB 0.733 31.798 31.823 -1.263 0.000 1.006 382 V HN 0.334 nan 8.190 nan 0.000 0.470 383 P HA 0.294 nan 4.420 nan 0.000 0.278 383 P C -0.301 177.108 177.300 0.182 0.000 1.238 383 P CA -0.144 62.984 63.100 0.047 0.000 0.794 383 P CB 0.791 32.581 31.700 0.149 0.000 0.955 384 D N 0.600 121.096 120.400 0.160 0.000 2.515 384 D HA 0.164 4.804 4.640 0.001 0.000 0.232 384 D C 0.396 176.887 176.300 0.319 0.000 1.157 384 D CA 0.790 54.915 54.000 0.208 0.000 0.871 384 D CB 0.278 41.150 40.800 0.120 0.000 1.200 384 D HN 0.391 nan 8.370 nan 0.000 0.466 385 A N 2.489 125.471 122.820 0.271 0.000 2.454 385 A HA 0.142 4.462 4.320 0.001 0.000 0.260 385 A C 1.499 179.084 177.584 0.001 0.000 1.106 385 A CA -0.223 51.795 52.037 -0.031 0.000 0.780 385 A CB 0.341 19.181 19.000 -0.268 0.000 1.044 385 A HN 0.685 nan 8.150 nan 0.000 0.498 386 T N 1.192 115.735 114.554 -0.017 0.000 2.737 386 T HA -0.098 4.253 4.350 0.001 0.000 0.269 386 T C 0.467 175.152 174.700 -0.025 0.000 1.040 386 T CA 2.237 64.331 62.100 -0.011 0.000 1.142 386 T CB -0.153 68.697 68.868 -0.031 0.000 0.861 386 T HN 0.806 nan 8.240 nan 0.000 0.456 387 D N -1.215 119.166 120.400 -0.031 0.000 2.837 387 D HA 0.522 5.163 4.640 0.001 0.000 0.220 387 D C -1.655 174.794 176.300 0.247 0.000 1.236 387 D CA -0.586 53.441 54.000 0.046 0.000 0.838 387 D CB 1.713 42.427 40.800 -0.142 0.000 1.647 387 D HN 0.117 nan 8.370 nan 0.000 0.486 388 I N 2.520 123.263 120.570 0.288 0.000 2.647 388 I HA 0.547 4.717 4.170 0.001 0.000 0.295 388 I C -1.786 174.452 176.117 0.202 0.000 1.078 388 I CA -1.029 60.409 61.300 0.231 0.000 1.048 388 I CB 1.823 39.887 38.000 0.107 0.000 1.239 388 I HN 0.287 nan 8.210 nan 0.000 0.421 389 L N 8.468 129.672 121.223 -0.031 0.000 2.372 389 L HA 0.546 4.886 4.340 0.001 0.000 0.274 389 L C -1.460 175.421 176.870 0.018 0.000 0.988 389 L CA -0.401 54.401 54.840 -0.064 0.000 0.833 389 L CB 1.624 43.468 42.059 -0.359 0.000 1.236 389 L HN 0.307 nan 8.230 nan 0.000 0.410 390 V N 6.675 126.620 119.914 0.051 0.000 2.284 390 V HA 0.426 4.546 4.120 0.001 0.000 0.274 390 V C -2.112 174.026 176.094 0.074 0.000 1.023 390 V CA -1.412 60.933 62.300 0.075 0.000 0.808 390 V CB 0.829 32.698 31.823 0.077 0.000 1.035 390 V HN 0.683 nan 8.190 nan 0.000 0.445 391 P HA 0.259 nan 4.420 nan 0.000 0.267 391 P C -0.083 177.246 177.300 0.048 0.000 1.209 391 P CA 0.018 63.140 63.100 0.036 0.000 0.763 391 P CB 0.378 32.212 31.700 0.222 0.000 0.816 392 R N 2.590 123.039 120.500 -0.085 0.000 3.472 392 R HA 0.171 4.512 4.340 0.001 0.000 0.322 392 R C 0.370 176.705 176.300 0.057 0.000 1.330 392 R CA -0.156 55.973 56.100 0.048 0.000 1.387 392 R CB -0.121 30.202 30.300 0.038 0.000 1.446 392 R HN 0.590 nan 8.270 nan 0.000 0.628 393 W N -0.293 121.112 121.300 0.174 0.000 2.363 393 W HA -0.201 4.460 4.660 0.000 0.000 0.296 393 W C 1.861 178.522 176.519 0.238 0.000 1.212 393 W CA 0.569 58.022 57.345 0.180 0.000 1.260 393 W CB -0.137 29.413 29.460 0.151 0.000 1.131 393 W HN 0.534 nan 8.180 nan 0.000 0.530 394 W N 1.178 122.651 121.300 0.289 0.000 2.388 394 W HA -0.164 4.496 4.660 0.000 0.000 0.294 394 W C 2.227 178.822 176.519 0.127 0.000 1.212 394 W CA 2.140 59.593 57.345 0.181 0.000 1.271 394 W CB -0.651 28.882 29.460 0.121 0.000 1.126 394 W HN -0.314 nan 8.180 nan 0.000 0.535 395 S N -0.158 115.495 115.700 -0.078 0.000 2.383 395 S HA -0.174 4.297 4.470 0.001 0.000 0.227 395 S C 0.510 174.967 174.600 -0.238 0.000 1.026 395 S CA 0.995 58.993 58.200 -0.337 0.000 0.981 395 S CB -0.706 62.407 63.200 -0.146 0.000 0.818 395 S HN 0.220 nan 8.310 nan 0.000 0.472 396 D N 2.162 122.518 120.400 -0.073 0.000 2.434 396 D HA -0.037 4.603 4.640 0.001 0.000 0.252 396 D C 1.346 177.579 176.300 -0.112 0.000 1.185 396 D CA -0.116 53.850 54.000 -0.057 0.000 0.886 396 D CB 0.545 41.434 40.800 0.147 0.000 1.148 396 D HN 0.363 nan 8.370 nan 0.000 0.483 397 R N 3.531 123.836 120.500 -0.324 0.000 2.193 397 R HA -0.127 4.213 4.340 0.001 0.000 0.229 397 R C 1.367 177.518 176.300 -0.249 0.000 1.110 397 R CA 1.139 57.032 56.100 -0.345 0.000 0.988 397 R CB -0.429 29.605 30.300 -0.444 0.000 0.871 397 R HN 0.416 nan 8.270 nan 0.000 0.458 398 F N -0.899 118.973 119.950 -0.129 0.000 2.789 398 F HA 0.173 4.700 4.527 0.001 0.000 0.300 398 F C 0.841 176.235 175.800 -0.676 0.000 1.132 398 F CA -0.069 57.692 58.000 -0.398 0.000 1.404 398 F CB 0.313 39.003 39.000 -0.516 0.000 1.114 398 F HN -0.057 nan 8.300 nan 0.000 0.584 399 Y N -1.695 118.756 120.300 0.252 0.000 2.784 399 Y HA 0.177 4.727 4.550 0.001 0.000 0.267 399 Y C 0.828 176.842 175.900 0.190 0.000 1.117 399 Y CA -0.722 57.538 58.100 0.267 0.000 1.231 399 Y CB 0.140 38.884 38.460 0.474 0.000 1.441 399 Y HN -0.388 nan 8.280 nan 0.000 0.469 400 K N 1.254 121.830 120.400 0.293 0.000 3.035 400 K HA -0.137 4.184 4.320 0.001 0.000 0.262 400 K C 0.138 176.943 176.600 0.341 0.000 1.024 400 K CA 1.131 57.537 56.287 0.198 0.000 0.748 400 K CB -1.785 30.771 32.500 0.093 0.000 1.247 400 K HN 0.818 nan 8.250 nan 0.000 0.482 401 G N -2.315 106.725 108.800 0.400 0.000 2.369 401 G HA2 0.130 4.091 3.960 0.001 0.000 0.293 401 G HA3 0.130 4.091 3.960 0.001 0.000 0.293 401 G C 0.406 175.401 174.900 0.159 0.000 1.301 401 G CA 0.391 45.661 45.100 0.284 0.000 0.913 401 G HN 0.185 nan 8.290 nan 0.000 0.540 402 T N -2.595 111.896 114.554 -0.106 0.000 3.026 402 T HA 0.626 4.977 4.350 0.001 0.000 0.245 402 T C 0.419 175.031 174.700 -0.147 0.000 1.004 402 T CA 1.529 63.448 62.100 -0.303 0.000 1.069 402 T CB 0.136 68.751 68.868 -0.422 0.000 1.005 402 T HN 1.891 nan 8.240 nan 0.000 0.472 403 F N 0.664 120.587 119.950 -0.046 0.000 2.744 403 F HA 0.700 5.227 4.527 0.001 0.000 0.311 403 F C -0.514 175.306 175.800 0.033 0.000 1.144 403 F CA -1.649 56.328 58.000 -0.038 0.000 0.938 403 F CB 0.563 39.474 39.000 -0.148 0.000 1.292 403 F HN 0.104 nan 8.300 nan 0.000 0.444 404 S N 1.183 117.082 115.700 0.331 0.000 2.593 404 S HA 0.577 5.047 4.470 0.001 0.000 0.269 404 S C -0.718 174.089 174.600 0.346 0.000 1.334 404 S CA -0.289 58.114 58.200 0.339 0.000 1.015 404 S CB 1.295 64.804 63.200 0.514 0.000 0.912 404 S HN 0.899 nan 8.310 nan 0.000 0.541 405 N N 0.118 118.909 118.700 0.150 0.000 2.260 405 N HA 0.247 4.987 4.740 0.001 0.000 0.293 405 N C -1.848 173.412 175.510 -0.418 0.000 1.058 405 N CA -0.625 52.437 53.050 0.019 0.000 0.824 405 N CB 1.069 39.565 38.487 0.016 0.000 1.551 405 N HN 0.805 nan 8.380 nan 0.000 0.475 406 W N 6.308 127.312 121.300 -0.494 0.000 2.485 406 W HA 0.358 5.018 4.660 0.000 0.000 0.315 406 W C -2.493 173.701 176.519 -0.541 0.000 1.304 406 W CA -1.618 55.303 57.345 -0.707 0.000 1.345 406 W CB 0.240 29.539 29.460 -0.268 0.000 1.368 406 W HN 0.451 nan 8.180 nan 0.000 0.497 407 P HA 0.109 nan 4.420 nan 0.000 0.281 407 P C -0.599 176.722 177.300 0.034 0.000 1.264 407 P CA -0.541 62.476 63.100 -0.138 0.000 0.824 407 P CB 1.655 33.228 31.700 -0.211 0.000 1.092 408 V N 0.812 120.720 119.914 -0.011 0.000 2.637 408 V HA 0.428 4.548 4.120 0.001 0.000 0.296 408 V C 1.288 177.406 176.094 0.039 0.000 1.046 408 V CA 1.706 64.013 62.300 0.011 0.000 1.066 408 V CB -0.393 31.410 31.823 -0.033 0.000 0.968 408 V HN 0.989 nan 8.190 nan 0.000 0.483 409 G N 4.201 113.044 108.800 0.072 0.000 2.194 409 G HA2 -0.177 3.783 3.960 0.001 0.000 0.236 409 G HA3 -0.177 3.783 3.960 0.001 0.000 0.236 409 G C -0.067 174.915 174.900 0.137 0.000 0.987 409 G CA 0.006 45.155 45.100 0.082 0.000 0.635 409 G HN 1.236 nan 8.290 nan 0.000 0.520 410 V N 3.692 123.736 119.914 0.215 0.000 2.350 410 V HA 0.504 4.624 4.120 0.001 0.000 0.276 410 V C 0.535 176.941 176.094 0.521 0.000 1.028 410 V CA -0.545 61.934 62.300 0.299 0.000 0.860 410 V CB 1.248 33.178 31.823 0.178 0.000 0.990 410 V HN 0.622 nan 8.190 nan 0.000 0.453 411 N N 5.414 124.349 118.700 0.391 0.000 2.491 411 N HA 0.296 5.036 4.740 0.001 0.000 0.279 411 N C 0.896 176.716 175.510 0.517 0.000 1.236 411 N CA -0.801 52.492 53.050 0.405 0.000 0.982 411 N CB 1.155 39.792 38.487 0.251 0.000 1.194 411 N HN 0.228 nan 8.380 nan 0.000 0.582 412 R N -0.475 120.296 120.500 0.452 0.000 2.120 412 R HA -0.132 4.208 4.340 0.001 0.000 0.234 412 R C 1.737 178.251 176.300 0.358 0.000 1.123 412 R CA 0.978 57.363 56.100 0.475 0.000 0.975 412 R CB -1.258 29.232 30.300 0.316 0.000 0.866 412 R HN 0.716 nan 8.270 nan 0.000 0.446 413 Y N 1.443 121.846 120.300 0.170 0.000 2.145 413 Y HA -0.231 4.319 4.550 0.000 0.000 0.286 413 Y C 2.359 178.303 175.900 0.074 0.000 1.145 413 Y CA 2.271 60.421 58.100 0.084 0.000 1.148 413 Y CB -0.233 38.252 38.460 0.042 0.000 0.981 413 Y HN 0.174 nan 8.280 nan 0.000 0.507 414 E N -1.369 118.937 120.200 0.177 0.000 2.110 414 E HA -0.288 4.063 4.350 0.001 0.000 0.193 414 E C 2.029 178.610 176.600 -0.031 0.000 0.988 414 E CA 1.267 57.709 56.400 0.071 0.000 0.804 414 E CB -0.535 29.265 29.700 0.167 0.000 0.745 414 E HN 0.625 nan 8.360 nan 0.000 0.458 415 Y N 1.197 121.403 120.300 -0.157 0.000 2.242 415 Y HA -0.165 4.386 4.550 0.000 0.000 0.291 415 Y C 1.781 177.496 175.900 -0.309 0.000 1.137 415 Y CA 1.969 59.829 58.100 -0.399 0.000 1.181 415 Y CB -0.220 37.896 38.460 -0.572 0.000 0.989 415 Y HN 0.111 nan 8.280 nan 0.000 0.527 416 D N -0.596 119.686 120.400 -0.196 0.000 2.178 416 D HA -0.160 4.481 4.640 0.001 0.000 0.202 416 D C 1.891 178.019 176.300 -0.285 0.000 0.974 416 D CA 1.206 55.059 54.000 -0.244 0.000 0.841 416 D CB -0.053 40.675 40.800 -0.120 0.000 0.953 416 D HN 0.499 nan 8.370 nan 0.000 0.478 417 Q N -0.275 119.337 119.800 -0.313 0.000 2.226 417 Q HA -0.096 4.245 4.340 0.001 0.000 0.204 417 Q C 2.277 178.199 176.000 -0.129 0.000 0.975 417 Q CA 0.432 56.150 55.803 -0.142 0.000 0.866 417 Q CB 0.016 28.724 28.738 -0.049 0.000 0.915 417 Q HN 0.390 nan 8.270 nan 0.000 0.440 418 L N 0.604 121.613 121.223 -0.356 0.000 2.083 418 L HA -0.185 4.156 4.340 0.001 0.000 0.209 418 L C 2.617 179.164 176.870 -0.539 0.000 1.083 418 L CA 1.228 55.765 54.840 -0.504 0.000 0.752 418 L CB -0.147 41.511 42.059 -0.670 0.000 0.899 418 L HN 0.189 nan 8.230 nan 0.000 0.433 419 R N 0.225 120.427 120.500 -0.496 0.000 2.173 419 R HA 0.085 4.426 4.340 0.001 0.000 0.208 419 R C 0.900 177.007 176.300 -0.322 0.000 1.035 419 R CA 0.543 56.406 56.100 -0.396 0.000 1.004 419 R CB 0.024 30.084 30.300 -0.401 0.000 0.917 419 R HN 0.238 nan 8.270 nan 0.000 0.462 420 A N 3.421 126.039 122.820 -0.337 0.000 2.565 420 A HA 0.183 4.503 4.320 0.001 0.000 0.237 420 A C -2.139 175.288 177.584 -0.261 0.000 1.053 420 A CA -1.005 50.738 52.037 -0.490 0.000 0.755 420 A CB -0.084 18.829 19.000 -0.145 0.000 0.980 420 A HN 0.298 nan 8.150 nan 0.000 0.506 421 P HA 0.266 nan 4.420 nan 0.000 0.272 421 P C -0.781 176.418 177.300 -0.170 0.000 1.240 421 P CA -0.142 62.735 63.100 -0.371 0.000 0.791 421 P CB 0.755 31.953 31.700 -0.838 0.000 0.978 422 V N 1.460 121.238 119.914 -0.227 0.000 2.376 422 V HA 0.487 4.608 4.120 0.001 0.000 0.287 422 V C 1.171 177.097 176.094 -0.280 0.000 1.015 422 V CA 0.447 62.637 62.300 -0.184 0.000 0.834 422 V CB 0.173 31.820 31.823 -0.294 0.000 1.001 422 V HN 1.075 nan 8.190 nan 0.000 0.428 423 G N 5.900 114.634 108.800 -0.110 0.000 2.629 423 G HA2 -0.346 3.614 3.960 0.001 0.000 0.313 423 G HA3 -0.346 3.614 3.960 0.001 0.000 0.313 423 G C 0.779 175.615 174.900 -0.106 0.000 1.217 423 G CA 0.926 46.009 45.100 -0.028 0.000 0.994 423 G HN 0.672 nan 8.290 nan 0.000 0.549 424 R N -0.321 120.181 120.500 0.004 0.000 2.310 424 R HA 0.345 4.685 4.340 0.001 0.000 0.202 424 R C 0.308 176.625 176.300 0.029 0.000 0.933 424 R CA 0.195 56.380 56.100 0.141 0.000 1.054 424 R CB 0.301 30.696 30.300 0.159 0.000 0.985 424 R HN 0.229 nan 8.270 nan 0.000 0.489 425 V N 1.769 121.516 119.914 -0.278 0.000 2.385 425 V HA 0.178 4.298 4.120 0.001 0.000 0.269 425 V C -0.555 175.168 176.094 -0.619 0.000 1.043 425 V CA -0.451 61.616 62.300 -0.389 0.000 0.906 425 V CB 0.317 31.821 31.823 -0.532 0.000 0.995 425 V HN 0.059 nan 8.190 nan 0.000 0.467 426 Y N 4.099 124.146 120.300 -0.422 0.000 2.457 426 Y HA 0.677 5.228 4.550 0.001 0.000 0.333 426 Y C -0.207 175.313 175.900 -0.633 0.000 1.119 426 Y CA -0.731 57.136 58.100 -0.389 0.000 1.143 426 Y CB 1.726 40.042 38.460 -0.241 0.000 1.230 426 Y HN 0.484 nan 8.280 nan 0.000 0.469 427 F N 0.316 120.238 119.950 -0.046 0.000 2.508 427 F HA 0.639 5.167 4.527 0.001 0.000 0.325 427 F C 0.293 176.010 175.800 -0.138 0.000 1.090 427 F CA -0.535 57.405 58.000 -0.100 0.000 0.945 427 F CB 2.342 41.239 39.000 -0.171 0.000 1.156 427 F HN 0.339 nan 8.300 nan 0.000 0.463 428 T N 0.736 115.309 114.554 0.031 0.000 2.787 428 T HA 0.814 5.165 4.350 0.001 0.000 0.297 428 T C -0.781 173.809 174.700 -0.184 0.000 1.221 428 T CA -0.056 61.985 62.100 -0.099 0.000 1.006 428 T CB 1.667 70.489 68.868 -0.078 0.000 1.328 428 T HN 1.277 nan 8.240 nan 0.000 0.509 429 G N 1.350 110.024 108.800 -0.209 0.000 2.375 429 G HA2 0.137 4.098 3.960 0.001 0.000 0.663 429 G HA3 0.137 4.098 3.960 0.001 0.000 0.663 429 G C 0.230 175.005 174.900 -0.208 0.000 1.391 429 G CA 0.649 45.647 45.100 -0.170 0.000 0.949 429 G HN 0.975 nan 8.290 nan 0.000 0.646 430 E N -0.190 120.017 120.200 0.012 0.000 2.187 430 E HA -0.301 4.049 4.350 0.001 0.000 0.199 430 E C 1.681 178.327 176.600 0.076 0.000 1.004 430 E CA 2.747 59.191 56.400 0.073 0.000 0.813 430 E CB -0.716 29.054 29.700 0.117 0.000 0.736 430 E HN 1.144 nan 8.360 nan 0.000 0.468 431 H N -0.785 118.310 119.070 0.042 0.000 2.563 431 H HA 0.163 4.720 4.556 0.001 0.000 0.272 431 H C 1.383 176.591 175.328 -0.201 0.000 1.005 431 H CA 1.208 57.238 56.048 -0.029 0.000 1.171 431 H CB -0.196 29.521 29.762 -0.076 0.000 1.351 431 H HN 0.346 nan 8.280 nan 0.000 0.602 432 T N -3.306 110.959 114.554 -0.482 0.000 3.023 432 T HA 0.098 4.448 4.350 0.001 0.000 0.253 432 T C 0.942 175.523 174.700 -0.198 0.000 1.038 432 T CA -0.073 61.748 62.100 -0.465 0.000 0.962 432 T CB -0.201 68.405 68.868 -0.436 0.000 1.018 432 T HN 0.245 nan 8.240 nan 0.000 0.521 433 S N 1.592 117.291 115.700 -0.001 0.000 2.544 433 S HA 0.029 4.499 4.470 0.001 0.000 0.290 433 S C 1.457 176.178 174.600 0.202 0.000 1.276 433 S CA -0.369 57.913 58.200 0.136 0.000 1.075 433 S CB 0.316 63.659 63.200 0.239 0.000 0.849 433 S HN 0.333 nan 8.310 nan 0.000 0.494 434 E N 3.506 123.744 120.200 0.062 0.000 2.023 434 E HA -0.144 4.206 4.350 0.001 0.000 0.196 434 E C 0.981 177.359 176.600 -0.369 0.000 1.003 434 E CA 1.703 58.021 56.400 -0.137 0.000 0.809 434 E CB -0.145 29.358 29.700 -0.327 0.000 0.755 434 E HN 0.843 nan 8.360 nan 0.000 0.449 435 H N -2.712 116.263 119.070 -0.158 0.000 3.058 435 H HA 0.141 4.697 4.556 0.001 0.000 0.266 435 H C 0.050 175.084 175.328 -0.489 0.000 1.135 435 H CA 0.046 55.842 56.048 -0.420 0.000 1.174 435 H CB 0.320 29.664 29.762 -0.696 0.000 1.581 435 H HN 0.178 nan 8.280 nan 0.000 0.553 436 Y N 1.477 121.964 120.300 0.312 0.000 2.672 436 Y HA 0.103 4.653 4.550 0.001 0.000 0.272 436 Y C 0.392 176.495 175.900 0.338 0.000 1.055 436 Y CA -1.196 57.113 58.100 0.348 0.000 1.151 436 Y CB -0.211 38.511 38.460 0.436 0.000 1.190 436 Y HN 0.137 nan 8.280 nan 0.000 0.574 437 N N 0.144 119.081 118.700 0.395 0.000 2.407 437 N HA 0.292 5.032 4.740 0.001 0.000 0.250 437 N C 1.251 176.901 175.510 0.234 0.000 1.236 437 N CA 1.041 54.289 53.050 0.331 0.000 0.879 437 N CB 0.674 39.385 38.487 0.374 0.000 1.088 437 N HN 0.459 nan 8.380 nan 0.000 0.450 438 G N -0.553 108.279 108.800 0.053 0.000 2.157 438 G HA2 -0.251 3.709 3.960 0.001 0.000 0.239 438 G HA3 -0.251 3.709 3.960 0.001 0.000 0.239 438 G C -0.747 173.624 174.900 -0.881 0.000 0.982 438 G CA 0.192 45.081 45.100 -0.351 0.000 0.650 438 G HN 0.663 nan 8.290 nan 0.000 0.527 439 Y N -1.756 118.427 120.300 -0.194 0.000 2.545 439 Y HA 0.525 5.075 4.550 0.001 0.000 0.348 439 Y C 1.492 177.207 175.900 -0.309 0.000 1.002 439 Y CA -0.604 57.276 58.100 -0.366 0.000 1.039 439 Y CB 1.701 39.736 38.460 -0.708 0.000 1.271 439 Y HN -0.073 nan 8.280 nan 0.000 0.467 440 V N 1.459 121.337 119.914 -0.060 0.000 2.252 440 V HA -0.360 3.760 4.120 0.001 0.000 0.249 440 V C 2.388 178.502 176.094 0.033 0.000 1.056 440 V CA 2.675 64.960 62.300 -0.025 0.000 1.022 440 V CB -0.789 31.024 31.823 -0.016 0.000 0.641 440 V HN 0.970 nan 8.190 nan 0.000 0.445 441 H N 0.105 119.257 119.070 0.137 0.000 2.421 441 H HA -0.064 4.492 4.556 0.001 0.000 0.298 441 H C 2.347 177.805 175.328 0.217 0.000 1.087 441 H CA 1.677 57.789 56.048 0.106 0.000 1.330 441 H CB -0.816 28.884 29.762 -0.103 0.000 1.388 441 H HN 0.416 nan 8.280 nan 0.000 0.526 442 G N 1.077 109.868 108.800 -0.015 0.000 2.421 442 G HA2 -0.188 3.773 3.960 0.001 0.000 0.216 442 G HA3 -0.188 3.773 3.960 0.001 0.000 0.216 442 G C 2.060 177.067 174.900 0.178 0.000 1.171 442 G CA 1.534 46.775 45.100 0.236 0.000 0.775 442 G HN 0.633 nan 8.290 nan 0.000 0.543 443 A N 0.003 122.889 122.820 0.111 0.000 1.902 443 A HA -0.051 4.269 4.320 0.001 0.000 0.217 443 A C 2.211 179.859 177.584 0.107 0.000 1.181 443 A CA 1.797 53.885 52.037 0.086 0.000 0.623 443 A CB -0.704 18.337 19.000 0.069 0.000 0.818 443 A HN 0.523 nan 8.150 nan 0.000 0.443 444 Y N 0.526 120.854 120.300 0.046 0.000 2.114 444 Y HA -0.143 4.407 4.550 0.001 0.000 0.284 444 Y C 1.938 177.874 175.900 0.060 0.000 1.143 444 Y CA 1.913 60.041 58.100 0.048 0.000 1.135 444 Y CB -0.357 38.138 38.460 0.057 0.000 0.980 444 Y HN 0.188 nan 8.280 nan 0.000 0.499 445 L N 0.154 121.419 121.223 0.070 0.000 2.131 445 L HA -0.197 4.144 4.340 0.001 0.000 0.210 445 L C 2.729 179.582 176.870 -0.028 0.000 1.092 445 L CA 1.536 56.380 54.840 0.007 0.000 0.759 445 L CB -0.876 41.346 42.059 0.271 0.000 0.903 445 L HN 0.439 nan 8.230 nan 0.000 0.435 446 S N -0.192 115.512 115.700 0.007 0.000 2.402 446 S HA -0.095 4.376 4.470 0.001 0.000 0.229 446 S C 2.084 176.628 174.600 -0.093 0.000 1.021 446 S CA 0.872 59.054 58.200 -0.031 0.000 0.974 446 S CB -0.754 62.427 63.200 -0.033 0.000 0.800 446 S HN 0.407 nan 8.310 nan 0.000 0.484 447 G N 2.142 110.867 108.800 -0.126 0.000 2.446 447 G HA2 -0.095 3.866 3.960 0.001 0.000 0.217 447 G HA3 -0.095 3.866 3.960 0.001 0.000 0.217 447 G C 1.423 176.211 174.900 -0.186 0.000 1.168 447 G CA 1.044 46.052 45.100 -0.153 0.000 0.771 447 G HN 0.569 nan 8.290 nan 0.000 0.551 448 I N 1.112 121.538 120.570 -0.241 0.000 2.163 448 I HA -0.166 4.005 4.170 0.001 0.000 0.243 448 I C 2.357 178.395 176.117 -0.133 0.000 1.085 448 I CA 1.415 62.589 61.300 -0.210 0.000 1.347 448 I CB -0.244 37.610 38.000 -0.243 0.000 1.044 448 I HN 0.056 nan 8.210 nan 0.000 0.408 449 D N 0.524 120.869 120.400 -0.092 0.000 2.097 449 D HA -0.127 4.513 4.640 0.001 0.000 0.195 449 D C 2.415 178.677 176.300 -0.064 0.000 0.989 449 D CA 1.365 55.337 54.000 -0.048 0.000 0.827 449 D CB -0.326 40.470 40.800 -0.007 0.000 0.966 449 D HN 0.169 nan 8.370 nan 0.000 0.456 450 S N 0.668 116.315 115.700 -0.087 0.000 2.353 450 S HA -0.185 4.286 4.470 0.001 0.000 0.222 450 S C 2.159 176.651 174.600 -0.180 0.000 1.035 450 S CA 1.347 59.486 58.200 -0.103 0.000 1.025 450 S CB -0.472 62.669 63.200 -0.098 0.000 0.902 450 S HN 0.383 nan 8.310 nan 0.000 0.440 451 A N 1.614 124.318 122.820 -0.194 0.000 1.903 451 A HA -0.236 4.084 4.320 0.001 0.000 0.219 451 A C 1.981 179.425 177.584 -0.232 0.000 1.191 451 A CA 1.887 53.782 52.037 -0.237 0.000 0.638 451 A CB -0.729 18.146 19.000 -0.209 0.000 0.823 451 A HN 0.611 nan 8.150 nan 0.000 0.451 452 E N -0.678 119.424 120.200 -0.163 0.000 2.204 452 E HA -0.099 4.251 4.350 0.001 0.000 0.194 452 E C 1.787 178.315 176.600 -0.119 0.000 0.989 452 E CA 0.882 57.206 56.400 -0.127 0.000 0.824 452 E CB -0.241 29.412 29.700 -0.078 0.000 0.756 452 E HN 0.728 nan 8.360 nan 0.000 0.477 453 I N 0.810 121.312 120.570 -0.114 0.000 2.439 453 I HA -0.218 3.952 4.170 0.001 0.000 0.251 453 I C 2.367 178.377 176.117 -0.178 0.000 1.139 453 I CA 0.664 61.937 61.300 -0.044 0.000 1.438 453 I CB 0.023 38.064 38.000 0.068 0.000 1.085 453 I HN 0.156 nan 8.210 nan 0.000 0.427 454 L N 0.594 121.526 121.223 -0.485 0.000 2.095 454 L HA -0.097 4.244 4.340 0.001 0.000 0.204 454 L C 2.423 178.986 176.870 -0.512 0.000 1.080 454 L CA 1.303 55.645 54.840 -0.830 0.000 0.759 454 L CB -0.038 41.334 42.059 -1.146 0.000 0.914 454 L HN 0.083 nan 8.230 nan 0.000 0.439 455 I N 0.391 120.753 120.570 -0.346 0.000 2.423 455 I HA -0.301 3.870 4.170 0.001 0.000 0.254 455 I C 1.538 177.561 176.117 -0.155 0.000 1.151 455 I CA 1.194 62.359 61.300 -0.225 0.000 1.421 455 I CB -0.433 37.469 38.000 -0.165 0.000 1.079 455 I HN 0.355 nan 8.210 nan 0.000 0.431 456 N N -0.486 118.133 118.700 -0.134 0.000 2.461 456 N HA -0.035 4.705 4.740 0.001 0.000 0.188 456 N C 1.310 176.792 175.510 -0.046 0.000 1.134 456 N CA 0.541 53.552 53.050 -0.065 0.000 0.878 456 N CB 0.072 38.541 38.487 -0.030 0.000 0.972 456 N HN 0.404 nan 8.380 nan 0.000 0.456 457 C N -2.234 117.007 119.300 -0.099 0.000 2.393 457 C HA 0.475 4.935 4.460 0.001 0.000 0.332 457 C C 2.608 177.583 174.990 -0.025 0.000 1.423 457 C CA 0.036 59.028 59.018 -0.044 0.000 2.097 457 C CB -0.805 26.883 27.740 -0.087 0.000 2.274 457 C HN 0.360 nan 8.230 nan 0.000 0.570 458 A N 0.888 123.635 122.820 -0.122 0.000 1.873 458 A HA -0.185 4.135 4.320 0.001 0.000 0.215 458 A C 2.125 179.723 177.584 0.022 0.000 1.186 458 A CA 1.765 53.806 52.037 0.006 0.000 0.616 458 A CB -0.623 18.346 19.000 -0.050 0.000 0.823 458 A HN 0.753 nan 8.150 nan 0.000 0.442 459 Q N -1.323 118.463 119.800 -0.023 0.000 2.107 459 Q HA 0.033 4.374 4.340 0.001 0.000 0.195 459 Q C 1.682 177.682 176.000 -0.002 0.000 0.964 459 Q CA 0.816 56.613 55.803 -0.010 0.000 0.833 459 Q CB 0.022 28.744 28.738 -0.028 0.000 0.910 459 Q HN 0.287 nan 8.270 nan 0.000 0.465 460 K N 0.332 120.726 120.400 -0.009 0.000 2.361 460 K HA 0.053 4.373 4.320 0.001 0.000 0.196 460 K C 0.167 176.775 176.600 0.014 0.000 1.039 460 K CA 0.351 56.638 56.287 -0.000 0.000 1.001 460 K CB 0.584 33.079 32.500 -0.007 0.000 0.795 460 K HN 0.065 nan 8.250 nan 0.000 0.495 461 K N -0.162 120.252 120.400 0.024 0.000 3.391 461 K HA -0.135 4.186 4.320 0.001 0.000 0.307 461 K C -0.278 176.349 176.600 0.046 0.000 1.304 461 K CA 0.693 57.007 56.287 0.044 0.000 0.904 461 K CB -1.741 30.784 32.500 0.040 0.000 1.293 461 K HN 0.142 nan 8.250 nan 0.000 0.470 462 M N 0.810 120.433 119.600 0.039 0.000 2.094 462 M HA 0.113 4.594 4.480 0.001 0.000 0.348 462 M C 1.535 177.881 176.300 0.076 0.000 1.267 462 M CA -0.155 55.173 55.300 0.046 0.000 1.125 462 M CB -0.198 32.421 32.600 0.031 0.000 1.527 462 M HN 0.302 nan 8.290 nan 0.000 0.447 463 C N 0.193 119.548 119.300 0.092 0.000 3.123 463 C HA 0.284 4.744 4.460 0.001 0.000 0.399 463 C C 1.082 176.155 174.990 0.138 0.000 1.320 463 C CA -0.468 58.628 59.018 0.129 0.000 1.949 463 C CB -0.371 27.449 27.740 0.133 0.000 2.692 463 C HN 0.778 nan 8.230 nan 0.000 0.623 464 K N 1.300 121.766 120.400 0.111 0.000 2.383 464 K HA 0.174 4.495 4.320 0.001 0.000 0.286 464 K C -1.148 175.542 176.600 0.149 0.000 1.051 464 K CA -0.142 56.214 56.287 0.115 0.000 0.974 464 K CB 0.192 32.740 32.500 0.081 0.000 0.968 464 K HN 0.572 nan 8.250 nan 0.000 0.475 465 Y N 4.556 124.875 120.300 0.032 0.000 2.320 465 Y HA 0.153 4.703 4.550 0.000 0.000 0.334 465 Y C -0.864 175.049 175.900 0.022 0.000 1.055 465 Y CA -0.630 57.486 58.100 0.027 0.000 1.143 465 Y CB 0.845 39.307 38.460 0.004 0.000 1.193 465 Y HN 0.614 nan 8.280 nan 0.000 0.477 466 H N 6.728 125.464 119.070 -0.557 0.000 2.597 466 H HA 0.338 4.894 4.556 0.001 0.000 0.303 466 H C -0.896 174.137 175.328 -0.493 0.000 1.057 466 H CA -0.507 55.314 56.048 -0.378 0.000 1.261 466 H CB 0.832 30.457 29.762 -0.228 0.000 1.397 466 H HN 0.621 nan 8.280 nan 0.000 0.461 467 V N 5.804 125.381 119.914 -0.562 0.000 2.740 467 V HA -0.002 4.118 4.120 0.001 0.000 0.303 467 V C 0.347 176.285 176.094 -0.261 0.000 1.054 467 V CA 0.482 62.545 62.300 -0.394 0.000 1.106 467 V CB 1.115 32.611 31.823 -0.546 0.000 0.957 467 V HN 0.826 nan 8.190 nan 0.000 0.486 468 Q N 0.000 119.742 119.800 -0.097 0.000 2.315 468 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 468 Q CA 0.000 55.878 55.803 0.124 0.000 1.022 468 Q CB 0.000 28.777 28.738 0.065 0.000 1.108 468 Q HN 0.000 nan 8.270 nan 0.000 0.481