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 1c9l_1_A DATA FIRST_RESID 3 DATA SEQUENCE QILPIRFQEH LQLQNLGINP ANIGFSTLTM ESDKFICIRE KVGEQAQVVI DATA SEQUENCE IDMNDPSNPI RRPISADSAI MNPASKVIAL KAGKTLQIFN IEMKSKMKAH DATA SEQUENCE TMTDDVTFWK WISLNTVALV TDNAVYHWSM EGESQPVKMF DRHSSLAGCQ DATA SEQUENCE IINYRTDAKQ KWLLLTGISA QQNRVVGAMQ LYSVDRKVSQ PIEGHAASFA DATA SEQUENCE QFKMEGNAEE STLFCFAVRG QAGGKLHIIE VGTPPTGNQP FPKKAVDVFF DATA SEQUENCE PPEAQNDFPV AMQISEKHDV VFLITKYGYI HLYDLETGTC IYMNRISGET DATA SEQUENCE IFVTAPHEAT AGIIGVNRKG QVLSVCVEEE NIIPYITNVL QNPDLALRMA DATA SEQUENCE VRNNLAG 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 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 176.029 176.000 0.049 0.000 1.003 3 Q CA 0.000 55.828 55.803 0.043 0.000 1.022 3 Q CB 0.000 28.770 28.738 0.054 0.000 1.108 4 I N -1.072 119.546 120.570 0.080 0.000 3.210 4 I HA 0.724 4.912 4.170 0.030 0.000 0.316 4 I C -0.839 175.295 176.117 0.028 0.000 1.067 4 I CA -1.111 60.219 61.300 0.050 0.000 1.047 4 I CB 0.675 38.702 38.000 0.045 0.000 1.352 4 I HN 0.286 nan 8.210 nan 0.000 0.565 5 L N 1.472 122.618 121.223 -0.128 0.000 2.381 5 L HA 0.506 4.864 4.340 0.030 0.000 0.268 5 L C -1.996 174.579 176.870 -0.492 0.000 0.997 5 L CA -1.526 53.061 54.840 -0.421 0.000 0.818 5 L CB 1.840 43.695 42.059 -0.340 0.000 1.310 5 L HN 0.369 nan 8.230 nan 0.000 0.416 6 P HA -0.034 nan 4.420 nan 0.000 0.217 6 P C -0.221 176.863 177.300 -0.360 0.000 1.151 6 P CA 0.951 63.657 63.100 -0.658 0.000 0.828 6 P CB 0.086 31.230 31.700 -0.927 0.000 0.788 7 I N -4.303 116.025 120.570 -0.403 0.000 3.076 7 I HA 0.560 4.748 4.170 0.030 0.000 0.313 7 I C -0.034 176.053 176.117 -0.050 0.000 1.053 7 I CA -1.528 59.698 61.300 -0.122 0.000 1.048 7 I CB 0.942 38.938 38.000 -0.007 0.000 1.264 7 I HN -0.360 nan 8.210 nan 0.000 0.498 8 R N 2.367 122.908 120.500 0.068 0.000 2.500 8 R HA 0.402 4.760 4.340 0.030 0.000 0.299 8 R C -2.168 174.216 176.300 0.141 0.000 1.038 8 R CA -0.497 55.652 56.100 0.082 0.000 0.903 8 R CB 1.200 31.535 30.300 0.059 0.000 1.177 8 R HN 0.783 nan 8.270 nan 0.000 0.455 9 F N 4.486 124.444 119.950 0.014 0.000 2.399 9 F HA 0.355 4.899 4.527 0.030 0.000 0.334 9 F C -0.713 175.095 175.800 0.014 0.000 1.097 9 F CA -0.080 57.933 58.000 0.021 0.000 1.076 9 F CB 1.192 40.206 39.000 0.022 0.000 1.162 9 F HN 0.497 nan 8.300 nan 0.000 0.495 10 Q N 4.262 123.587 119.800 -0.793 0.000 2.364 10 Q HA 0.215 4.573 4.340 0.030 0.000 0.257 10 Q C -1.864 173.854 176.000 -0.469 0.000 0.956 10 Q CA -0.973 54.561 55.803 -0.448 0.000 0.924 10 Q CB 1.557 30.163 28.738 -0.220 0.000 1.413 10 Q HN 0.794 nan 8.270 nan 0.000 0.418 11 E N 3.586 123.640 120.200 -0.243 0.000 2.152 11 E HA 0.130 4.498 4.350 0.030 0.000 0.285 11 E C -0.352 176.252 176.600 0.007 0.000 1.043 11 E CA -0.205 56.150 56.400 -0.076 0.000 0.839 11 E CB 0.554 30.276 29.700 0.036 0.000 1.069 11 E HN 0.798 nan 8.360 nan 0.000 0.399 12 H N 3.754 122.724 119.070 -0.166 0.000 2.486 12 H HA 0.229 4.803 4.556 0.030 0.000 0.287 12 H C 0.438 175.723 175.328 -0.072 0.000 1.010 12 H CA 0.223 56.201 56.048 -0.116 0.000 1.324 12 H CB 0.792 30.474 29.762 -0.133 0.000 1.446 12 H HN 0.339 nan 8.280 nan 0.000 0.537 13 L N 0.371 121.636 121.223 0.070 0.000 2.720 13 L HA 0.256 4.614 4.340 0.030 0.000 0.261 13 L C -1.165 175.720 176.870 0.025 0.000 1.046 13 L CA -0.816 54.045 54.840 0.034 0.000 0.886 13 L CB 2.718 44.793 42.059 0.027 0.000 1.493 13 L HN -0.046 nan 8.230 nan 0.000 0.407 14 Q N 2.031 121.847 119.800 0.027 0.000 2.891 14 Q HA 0.333 4.691 4.340 0.030 0.000 0.242 14 Q C 0.567 176.586 176.000 0.033 0.000 0.959 14 Q CA -0.210 55.612 55.803 0.031 0.000 0.707 14 Q CB 1.766 30.523 28.738 0.032 0.000 1.283 14 Q HN 0.626 nan 8.270 nan 0.000 0.480 15 L N 0.192 121.437 121.223 0.037 0.000 2.171 15 L HA -0.331 4.027 4.340 0.030 0.000 0.216 15 L C 2.114 179.009 176.870 0.042 0.000 1.084 15 L CA 1.746 56.612 54.840 0.043 0.000 0.771 15 L CB -0.204 41.890 42.059 0.058 0.000 0.890 15 L HN 0.549 nan 8.230 nan 0.000 0.437 16 Q N -0.344 119.481 119.800 0.043 0.000 2.224 16 Q HA -0.173 4.185 4.340 0.030 0.000 0.203 16 Q C 1.853 177.871 176.000 0.031 0.000 0.970 16 Q CA 1.306 57.132 55.803 0.039 0.000 0.865 16 Q CB -0.146 28.616 28.738 0.040 0.000 0.922 16 Q HN 0.643 nan 8.270 nan 0.000 0.445 17 N N -0.033 118.684 118.700 0.029 0.000 2.381 17 N HA -0.087 4.671 4.740 0.030 0.000 0.182 17 N C 1.282 176.805 175.510 0.022 0.000 1.025 17 N CA 0.407 53.471 53.050 0.024 0.000 0.888 17 N CB 0.123 38.623 38.487 0.022 0.000 0.965 17 N HN 0.195 nan 8.380 nan 0.000 0.438 18 L N -0.744 120.494 121.223 0.025 0.000 2.492 18 L HA 0.127 4.485 4.340 0.030 0.000 0.223 18 L C 1.386 178.271 176.870 0.025 0.000 1.132 18 L CA 0.277 55.132 54.840 0.024 0.000 0.850 18 L CB 0.105 42.181 42.059 0.028 0.000 0.966 18 L HN 0.289 nan 8.230 nan 0.000 0.454 19 G N 0.268 109.083 108.800 0.026 0.000 2.179 19 G HA2 -0.231 3.747 3.960 0.030 0.000 0.220 19 G HA3 -0.231 3.747 3.960 0.030 0.000 0.220 19 G C 0.313 175.229 174.900 0.028 0.000 0.990 19 G CA -0.483 44.632 45.100 0.025 0.000 0.646 19 G HN 0.193 nan 8.290 nan 0.000 0.517 20 I N 1.886 122.477 120.570 0.034 0.000 2.598 20 I HA 0.057 4.245 4.170 0.030 0.000 0.284 20 I C 0.842 176.982 176.117 0.039 0.000 1.140 20 I CA -0.459 60.863 61.300 0.038 0.000 1.420 20 I CB 0.506 38.535 38.000 0.048 0.000 1.387 20 I HN 0.185 nan 8.210 nan 0.000 0.553 21 N N 9.101 127.821 118.700 0.034 0.000 2.483 21 N HA 0.041 4.799 4.740 0.030 0.000 0.264 21 N C -1.776 173.758 175.510 0.040 0.000 1.197 21 N CA -1.300 51.770 53.050 0.033 0.000 0.927 21 N CB 1.457 39.960 38.487 0.026 0.000 1.065 21 N HN 0.256 nan 8.380 nan 0.000 0.461 22 P HA -0.138 nan 4.420 nan 0.000 0.216 22 P C 0.708 178.035 177.300 0.045 0.000 1.150 22 P CA 1.678 64.808 63.100 0.051 0.000 0.843 22 P CB 0.069 31.798 31.700 0.048 0.000 0.787 23 A N -0.763 122.077 122.820 0.032 0.000 2.131 23 A HA -0.176 4.162 4.320 0.030 0.000 0.220 23 A C 1.783 179.373 177.584 0.010 0.000 1.158 23 A CA 1.519 53.568 52.037 0.021 0.000 0.665 23 A CB -0.995 18.016 19.000 0.019 0.000 0.795 23 A HN 0.193 nan 8.150 nan 0.000 0.460 24 N N -0.507 118.204 118.700 0.018 0.000 2.236 24 N HA 0.176 4.934 4.740 0.030 0.000 0.196 24 N C -0.126 175.392 175.510 0.014 0.000 1.114 24 N CA 0.149 53.205 53.050 0.009 0.000 0.859 24 N CB 0.372 38.872 38.487 0.021 0.000 0.982 24 N HN 0.467 nan 8.380 nan 0.000 0.493 25 I N 1.396 121.989 120.570 0.038 0.000 2.224 25 I HA 0.324 4.512 4.170 0.030 0.000 0.293 25 I C 0.681 176.753 176.117 -0.075 0.000 1.155 25 I CA -0.393 60.975 61.300 0.113 0.000 1.297 25 I CB 0.236 38.352 38.000 0.192 0.000 1.487 25 I HN -0.101 nan 8.210 nan 0.000 0.564 26 G N 2.303 110.830 108.800 -0.456 0.000 2.645 26 G HA2 0.242 4.220 3.960 0.030 0.000 0.292 26 G HA3 0.242 4.220 3.960 0.030 0.000 0.292 26 G C -0.281 173.901 174.900 -1.196 0.000 1.415 26 G CA -0.567 43.911 45.100 -1.037 0.000 0.785 26 G HN 0.223 nan 8.290 nan 0.000 0.483 27 F N 1.285 120.624 119.950 -1.017 0.000 2.161 27 F HA -0.075 4.468 4.527 0.027 0.000 0.300 27 F C 2.546 178.306 175.800 -0.068 0.000 1.089 27 F CA 2.543 60.346 58.000 -0.328 0.000 1.282 27 F CB 0.143 39.110 39.000 -0.055 0.000 1.010 27 F HN 0.374 nan 8.300 nan 0.000 0.485 28 S N -2.260 113.324 115.700 -0.194 0.000 2.577 28 S HA 0.112 4.600 4.470 0.030 0.000 0.219 28 S C 1.053 175.579 174.600 -0.124 0.000 0.962 28 S CA 0.456 58.532 58.200 -0.207 0.000 0.921 28 S CB -0.607 62.563 63.200 -0.050 0.000 0.789 28 S HN 0.461 nan 8.310 nan 0.000 0.497 29 T N -1.012 113.475 114.554 -0.112 0.000 2.992 29 T HA 0.388 4.755 4.350 0.030 0.000 0.255 29 T C -0.005 174.693 174.700 -0.004 0.000 0.938 29 T CA -0.379 61.694 62.100 -0.046 0.000 0.895 29 T CB -0.176 68.670 68.868 -0.037 0.000 1.221 29 T HN 0.338 nan 8.240 nan 0.000 0.512 30 L N 3.446 124.677 121.223 0.013 0.000 2.305 30 L HA 0.717 5.075 4.340 0.030 0.000 0.284 30 L C -0.919 176.067 176.870 0.193 0.000 1.013 30 L CA -0.329 54.594 54.840 0.137 0.000 0.819 30 L CB 1.665 43.889 42.059 0.274 0.000 1.227 30 L HN 0.329 nan 8.230 nan 0.000 0.417 31 T N 2.299 116.936 114.554 0.138 0.000 2.887 31 T HA 0.543 4.910 4.350 0.030 0.000 0.288 31 T C -0.399 174.375 174.700 0.123 0.000 1.021 31 T CA -0.714 61.462 62.100 0.127 0.000 1.000 31 T CB 1.831 70.734 68.868 0.057 0.000 1.034 31 T HN 0.699 nan 8.240 nan 0.000 0.467 32 M N 2.729 122.401 119.600 0.122 0.000 2.073 32 M HA 0.270 4.767 4.480 0.030 0.000 0.218 32 M C 0.165 176.520 176.300 0.091 0.000 0.949 32 M CA -0.531 54.824 55.300 0.091 0.000 0.722 32 M CB 0.920 33.552 32.600 0.053 0.000 1.762 32 M HN 0.631 nan 8.290 nan 0.000 0.348 33 E N 0.951 121.204 120.200 0.088 0.000 2.472 33 E HA 0.017 4.385 4.350 0.030 0.000 0.200 33 E C 0.253 176.893 176.600 0.066 0.000 1.046 33 E CA 0.596 57.051 56.400 0.091 0.000 0.871 33 E CB 0.119 29.869 29.700 0.084 0.000 0.806 33 E HN 0.763 nan 8.360 nan 0.000 0.533 34 S N -0.358 115.376 115.700 0.055 0.000 2.656 34 S HA 0.123 4.611 4.470 0.030 0.000 0.265 34 S C -0.412 174.200 174.600 0.019 0.000 1.132 34 S CA -0.430 57.789 58.200 0.032 0.000 0.819 34 S CB 0.727 63.936 63.200 0.014 0.000 1.119 34 S HN -0.098 nan 8.310 nan 0.000 0.476 35 D N -0.068 120.329 120.400 -0.005 0.000 2.349 35 D HA 0.146 4.804 4.640 0.030 0.000 0.224 35 D C 0.966 177.217 176.300 -0.082 0.000 1.029 35 D CA 0.188 54.178 54.000 -0.018 0.000 0.879 35 D CB -0.161 40.669 40.800 0.050 0.000 0.906 35 D HN 0.559 nan 8.370 nan 0.000 0.528 36 K N -0.854 119.472 120.400 -0.124 0.000 2.186 36 K HA 0.140 4.477 4.320 0.030 0.000 0.202 36 K C -0.140 176.050 176.600 -0.684 0.000 1.052 36 K CA 0.589 56.644 56.287 -0.388 0.000 0.965 36 K CB 0.285 32.564 32.500 -0.369 0.000 0.746 36 K HN 0.127 nan 8.250 nan 0.000 0.457 37 F N -0.352 119.572 119.950 -0.044 0.000 2.643 37 F HA 0.491 5.036 4.527 0.030 0.000 0.314 37 F C -0.577 175.210 175.800 -0.022 0.000 1.096 37 F CA -1.121 56.858 58.000 -0.035 0.000 0.953 37 F CB 1.573 40.544 39.000 -0.049 0.000 1.345 37 F HN -0.317 nan 8.300 nan 0.000 0.468 38 I N 1.548 122.245 120.570 0.213 0.000 2.548 38 I HA 0.328 4.515 4.170 0.030 0.000 0.287 38 I C -1.545 174.645 176.117 0.122 0.000 1.103 38 I CA -0.321 61.055 61.300 0.128 0.000 1.049 38 I CB 1.874 39.924 38.000 0.082 0.000 1.232 38 I HN 0.483 nan 8.210 nan 0.000 0.429 39 C N 6.954 126.312 119.300 0.096 0.000 2.303 39 C HA 0.681 5.159 4.460 0.030 0.000 0.326 39 C C -0.157 174.874 174.990 0.068 0.000 1.285 39 C CA -0.418 58.640 59.018 0.065 0.000 1.675 39 C CB 0.428 28.190 27.740 0.036 0.000 2.289 39 C HN 0.423 nan 8.230 nan 0.000 0.512 40 I N 3.408 124.012 120.570 0.057 0.000 2.466 40 I HA 0.442 4.630 4.170 0.030 0.000 0.289 40 I C 0.147 176.284 176.117 0.034 0.000 1.026 40 I CA -0.294 61.039 61.300 0.054 0.000 1.078 40 I CB 1.004 39.040 38.000 0.060 0.000 1.249 40 I HN 0.450 nan 8.210 nan 0.000 0.429 41 R N 5.464 125.979 120.500 0.026 0.000 2.229 41 R HA 0.523 4.881 4.340 0.030 0.000 0.328 41 R C -0.599 175.710 176.300 0.015 0.000 1.009 41 R CA -0.495 55.615 56.100 0.018 0.000 0.864 41 R CB 1.153 31.462 30.300 0.016 0.000 1.085 41 R HN 0.595 nan 8.270 nan 0.000 0.453 42 E N 2.166 122.374 120.200 0.013 0.000 2.299 42 E HA 0.328 4.696 4.350 0.030 0.000 0.265 42 E C -0.632 175.973 176.600 0.008 0.000 0.911 42 E CA -1.128 55.279 56.400 0.012 0.000 0.789 42 E CB 1.855 31.564 29.700 0.015 0.000 1.246 42 E HN 0.089 nan 8.360 nan 0.000 0.427 43 K N 1.517 121.922 120.400 0.008 0.000 2.606 43 K HA 0.269 4.607 4.320 0.030 0.000 0.196 43 K C -0.841 175.763 176.600 0.006 0.000 1.048 43 K CA -0.424 55.866 56.287 0.005 0.000 1.017 43 K CB 0.816 33.319 32.500 0.005 0.000 1.413 43 K HN 0.207 nan 8.250 nan 0.000 0.568 44 V N 1.525 121.442 119.914 0.005 0.000 2.381 44 V HA 0.328 4.466 4.120 0.030 0.000 0.257 44 V C 1.229 177.326 176.094 0.004 0.000 1.057 44 V CA 0.566 62.869 62.300 0.006 0.000 1.013 44 V CB -0.410 31.416 31.823 0.006 0.000 1.069 44 V HN 0.945 nan 8.190 nan 0.000 0.484 45 G N 5.209 114.012 108.800 0.005 0.000 2.542 45 G HA2 -0.260 3.718 3.960 0.030 0.000 0.235 45 G HA3 -0.260 3.718 3.960 0.030 0.000 0.235 45 G C 0.455 175.356 174.900 0.003 0.000 1.286 45 G CA 0.391 45.493 45.100 0.004 0.000 0.904 45 G HN 0.758 nan 8.290 nan 0.000 0.577 46 E N -0.104 120.097 120.200 0.002 0.000 2.502 46 E HA 0.212 4.580 4.350 0.030 0.000 0.194 46 E C 1.103 177.703 176.600 -0.000 0.000 1.062 46 E CA 0.982 57.383 56.400 0.001 0.000 0.867 46 E CB 0.103 29.803 29.700 0.000 0.000 0.888 46 E HN 0.476 nan 8.360 nan 0.000 0.510 47 Q N 0.492 120.291 119.800 -0.001 0.000 2.303 47 Q HA 0.530 4.888 4.340 0.030 0.000 0.257 47 Q C -1.283 174.715 176.000 -0.002 0.000 0.941 47 Q CA -0.476 55.325 55.803 -0.003 0.000 0.931 47 Q CB 1.407 30.142 28.738 -0.004 0.000 1.215 47 Q HN 0.208 nan 8.270 nan 0.000 0.437 48 A N 4.706 127.523 122.820 -0.004 0.000 2.309 48 A HA 0.657 4.995 4.320 0.030 0.000 0.298 48 A C -0.771 176.809 177.584 -0.007 0.000 1.165 48 A CA -0.366 51.670 52.037 -0.003 0.000 0.821 48 A CB 0.413 19.412 19.000 -0.002 0.000 1.102 48 A HN 0.831 nan 8.150 nan 0.000 0.500 49 Q N 0.294 120.091 119.800 -0.005 0.000 2.565 49 Q HA 0.712 5.069 4.340 0.030 0.000 0.294 49 Q C -1.185 174.811 176.000 -0.006 0.000 1.005 49 Q CA -1.143 54.654 55.803 -0.011 0.000 0.771 49 Q CB 1.664 30.396 28.738 -0.010 0.000 1.486 49 Q HN 0.722 nan 8.270 nan 0.000 0.422 50 V N -1.281 118.626 119.914 -0.012 0.000 2.513 50 V HA 0.719 4.857 4.120 0.030 0.000 0.299 50 V C -0.386 175.708 176.094 -0.001 0.000 1.035 50 V CA -0.868 61.429 62.300 -0.005 0.000 0.889 50 V CB 1.510 33.324 31.823 -0.014 0.000 0.988 50 V HN 0.603 nan 8.190 nan 0.000 0.440 51 V N 5.906 125.829 119.914 0.014 0.000 2.328 51 V HA 0.456 4.594 4.120 0.030 0.000 0.278 51 V C -0.045 176.070 176.094 0.035 0.000 1.021 51 V CA -0.208 62.106 62.300 0.023 0.000 0.838 51 V CB 1.207 33.048 31.823 0.030 0.000 0.999 51 V HN 0.791 nan 8.190 nan 0.000 0.447 52 I N 6.432 127.024 120.570 0.036 0.000 2.297 52 I HA 0.402 4.590 4.170 0.030 0.000 0.291 52 I C -0.155 176.033 176.117 0.118 0.000 1.033 52 I CA -0.104 61.235 61.300 0.066 0.000 1.253 52 I CB 1.014 39.028 38.000 0.023 0.000 1.396 52 I HN 0.413 nan 8.210 nan 0.000 0.476 53 I N 5.365 126.023 120.570 0.146 0.000 2.304 53 I HA 0.153 4.341 4.170 0.030 0.000 0.291 53 I C 0.022 176.229 176.117 0.149 0.000 1.018 53 I CA -0.389 60.982 61.300 0.119 0.000 1.260 53 I CB 0.896 38.941 38.000 0.075 0.000 1.390 53 I HN 0.496 nan 8.210 nan 0.000 0.475 54 D N 7.329 127.784 120.400 0.090 0.000 2.336 54 D HA 0.103 4.761 4.640 0.030 0.000 0.249 54 D C 0.994 177.203 176.300 -0.152 0.000 1.213 54 D CA -0.323 53.625 54.000 -0.087 0.000 0.870 54 D CB 1.116 41.899 40.800 -0.029 0.000 1.076 54 D HN 0.351 nan 8.370 nan 0.000 0.483 55 M N 2.825 122.272 119.600 -0.254 0.000 2.435 55 M HA -0.133 4.365 4.480 0.030 0.000 0.262 55 M C 0.857 177.089 176.300 -0.114 0.000 1.065 55 M CA 0.841 56.053 55.300 -0.148 0.000 1.076 55 M CB -0.616 31.893 32.600 -0.151 0.000 1.403 55 M HN 0.305 nan 8.290 nan 0.000 0.454 56 N N -0.123 118.486 118.700 -0.152 0.000 2.280 56 N HA 0.010 4.768 4.740 0.030 0.000 0.192 56 N C -0.365 175.105 175.510 -0.067 0.000 1.109 56 N CA 0.332 53.321 53.050 -0.102 0.000 0.855 56 N CB 0.450 38.865 38.487 -0.119 0.000 0.974 56 N HN 0.180 nan 8.380 nan 0.000 0.482 57 D N -1.021 119.343 120.400 -0.060 0.000 2.823 57 D HA 0.230 4.887 4.640 0.030 0.000 0.255 57 D C -2.155 174.133 176.300 -0.020 0.000 1.257 57 D CA -1.307 52.674 54.000 -0.032 0.000 0.803 57 D CB 1.086 41.872 40.800 -0.023 0.000 1.384 57 D HN -0.109 nan 8.370 nan 0.000 0.541 58 P HA -0.075 nan 4.420 nan 0.000 0.219 58 P C 1.134 178.438 177.300 0.007 0.000 1.150 58 P CA 0.800 63.899 63.100 -0.001 0.000 0.814 58 P CB 0.240 31.940 31.700 0.001 0.000 0.787 59 S N -2.143 113.559 115.700 0.004 0.000 2.660 59 S HA 0.066 4.554 4.470 0.030 0.000 0.223 59 S C 0.740 175.346 174.600 0.009 0.000 0.963 59 S CA 0.137 58.341 58.200 0.007 0.000 0.932 59 S CB -0.847 62.355 63.200 0.003 0.000 0.775 59 S HN 0.041 nan 8.310 nan 0.000 0.531 60 N N 2.423 121.130 118.700 0.012 0.000 2.723 60 N HA 0.344 5.101 4.740 0.030 0.000 0.290 60 N C -3.200 172.324 175.510 0.024 0.000 1.882 60 N CA -0.945 52.114 53.050 0.015 0.000 0.851 60 N CB 1.088 39.582 38.487 0.012 0.000 1.234 60 N HN 0.281 nan 8.380 nan 0.000 0.491 61 P HA 0.256 nan 4.420 nan 0.000 0.275 61 P C 0.162 177.479 177.300 0.029 0.000 1.227 61 P CA -0.285 62.837 63.100 0.035 0.000 0.781 61 P CB 0.824 32.544 31.700 0.033 0.000 0.906 62 I N -0.359 120.230 120.570 0.033 0.000 2.339 62 I HA 0.539 4.727 4.170 0.030 0.000 0.290 62 I C -0.206 175.917 176.117 0.009 0.000 0.994 62 I CA -0.996 60.316 61.300 0.019 0.000 1.191 62 I CB 1.637 39.648 38.000 0.018 0.000 1.343 62 I HN 0.093 nan 8.210 nan 0.000 0.458 63 R N 6.121 126.623 120.500 0.003 0.000 2.368 63 R HA 0.642 4.999 4.340 0.030 0.000 0.302 63 R C -0.710 175.581 176.300 -0.016 0.000 1.002 63 R CA -0.834 55.264 56.100 -0.003 0.000 0.929 63 R CB 1.379 31.679 30.300 0.001 0.000 1.073 63 R HN 0.598 nan 8.270 nan 0.000 0.464 64 R N 2.632 123.116 120.500 -0.027 0.000 2.673 64 R HA 0.376 4.734 4.340 0.030 0.000 0.281 64 R C -2.823 173.450 176.300 -0.046 0.000 0.991 64 R CA -2.461 53.613 56.100 -0.044 0.000 0.896 64 R CB 1.865 32.123 30.300 -0.070 0.000 1.201 64 R HN 0.391 nan 8.270 nan 0.000 0.457 65 P HA 0.281 nan 4.420 nan 0.000 0.276 65 P C -0.415 176.850 177.300 -0.058 0.000 1.235 65 P CA -0.173 62.902 63.100 -0.041 0.000 0.772 65 P CB 0.568 32.248 31.700 -0.035 0.000 0.871 66 I N -0.723 119.822 120.570 -0.042 0.000 3.239 66 I HA 0.752 4.939 4.170 0.030 0.000 0.314 66 I C -0.178 175.928 176.117 -0.019 0.000 1.126 66 I CA -0.967 60.308 61.300 -0.043 0.000 0.973 66 I CB 2.594 40.573 38.000 -0.034 0.000 1.252 66 I HN 0.177 nan 8.210 nan 0.000 0.463 67 S N 0.377 116.074 115.700 -0.006 0.000 2.949 67 S HA 0.730 5.218 4.470 0.030 0.000 0.246 67 S C -0.250 174.360 174.600 0.016 0.000 0.899 67 S CA -0.165 58.037 58.200 0.004 0.000 1.091 67 S CB 0.006 63.208 63.200 0.003 0.000 1.199 67 S HN 1.090 nan 8.310 nan 0.000 0.507 68 A N 1.542 124.377 122.820 0.026 0.000 2.320 68 A HA 0.678 5.016 4.320 0.030 0.000 0.334 68 A C 0.601 178.203 177.584 0.030 0.000 1.147 68 A CA -0.439 51.624 52.037 0.044 0.000 0.820 68 A CB 0.717 19.772 19.000 0.092 0.000 1.218 68 A HN 0.406 nan 8.150 nan 0.000 0.482 69 D N -0.191 120.217 120.400 0.013 0.000 2.340 69 D HA 0.192 4.849 4.640 0.030 0.000 0.220 69 D C 0.201 176.515 176.300 0.022 0.000 1.039 69 D CA 0.740 54.740 54.000 -0.000 0.000 0.866 69 D CB 0.236 41.016 40.800 -0.032 0.000 0.913 69 D HN 0.417 nan 8.370 nan 0.000 0.523 70 S N -1.095 114.653 115.700 0.079 0.000 2.560 70 S HA 0.621 5.109 4.470 0.030 0.000 0.283 70 S C -2.025 172.737 174.600 0.271 0.000 1.141 70 S CA -0.476 57.823 58.200 0.166 0.000 0.902 70 S CB 0.857 64.181 63.200 0.206 0.000 1.104 70 S HN 0.463 nan 8.310 nan 0.000 0.454 71 A N 4.363 127.297 122.820 0.191 0.000 2.353 71 A HA 0.779 5.116 4.320 0.030 0.000 0.299 71 A C -0.479 177.142 177.584 0.061 0.000 1.089 71 A CA -0.753 51.371 52.037 0.144 0.000 0.736 71 A CB 0.568 19.615 19.000 0.078 0.000 1.195 71 A HN 1.467 nan 8.150 nan 0.000 0.447 72 I N 0.148 120.709 120.570 -0.015 0.000 2.476 72 I HA 0.491 4.679 4.170 0.030 0.000 0.281 72 I C -0.458 175.720 176.117 0.102 0.000 1.040 72 I CA -0.792 60.482 61.300 -0.044 0.000 1.094 72 I CB 1.440 39.278 38.000 -0.269 0.000 1.219 72 I HN 0.411 nan 8.210 nan 0.000 0.450 73 M N 4.667 124.262 119.600 -0.008 0.000 2.252 73 M HA 0.091 4.589 4.480 0.030 0.000 0.333 73 M C 0.526 176.562 176.300 -0.439 0.000 1.111 73 M CA 0.555 55.743 55.300 -0.187 0.000 1.140 73 M CB 0.390 32.828 32.600 -0.271 0.000 1.538 73 M HN 0.774 nan 8.290 nan 0.000 0.448 74 N N 3.594 121.828 118.700 -0.776 0.000 2.453 74 N HA 0.045 4.803 4.740 0.030 0.000 0.253 74 N C -2.082 173.044 175.510 -0.640 0.000 1.252 74 N CA -0.959 51.289 53.050 -1.336 0.000 0.917 74 N CB 1.180 38.986 38.487 -1.135 0.000 1.117 74 N HN 0.252 nan 8.380 nan 0.000 0.442 75 P HA -0.007 nan 4.420 nan 0.000 0.218 75 P C 0.221 177.468 177.300 -0.088 0.000 1.149 75 P CA 1.392 64.376 63.100 -0.193 0.000 0.817 75 P CB 0.253 31.868 31.700 -0.141 0.000 0.785 76 A N -2.401 120.330 122.820 -0.148 0.000 2.013 76 A HA 0.243 4.581 4.320 0.030 0.000 0.204 76 A C 1.386 178.974 177.584 0.007 0.000 1.262 76 A CA 0.600 52.603 52.037 -0.057 0.000 0.800 76 A CB -0.298 18.649 19.000 -0.088 0.000 0.909 76 A HN 0.170 nan 8.150 nan 0.000 0.472 77 S N -0.624 115.018 115.700 -0.097 0.000 2.638 77 S HA 0.410 4.897 4.470 0.030 0.000 0.302 77 S C -0.440 174.036 174.600 -0.206 0.000 1.096 77 S CA -0.669 57.488 58.200 -0.073 0.000 0.953 77 S CB 0.987 64.123 63.200 -0.107 0.000 1.107 77 S HN 0.220 nan 8.310 nan 0.000 0.503 78 K N 2.362 122.659 120.400 -0.171 0.000 2.989 78 K HA 0.174 4.511 4.320 0.030 0.000 0.264 78 K C -0.970 175.488 176.600 -0.237 0.000 1.228 78 K CA 0.114 56.206 56.287 -0.324 0.000 1.186 78 K CB -0.626 31.781 32.500 -0.155 0.000 1.409 78 K HN 0.271 nan 8.250 nan 0.000 0.271 79 V N 2.603 122.353 119.914 -0.274 0.000 2.409 79 V HA 0.405 4.543 4.120 0.030 0.000 0.291 79 V C -0.114 175.893 176.094 -0.145 0.000 1.020 79 V CA -0.874 61.327 62.300 -0.165 0.000 0.848 79 V CB 1.898 33.609 31.823 -0.187 0.000 0.990 79 V HN 0.355 nan 8.190 nan 0.000 0.430 80 I N 3.684 124.258 120.570 0.007 0.000 2.530 80 I HA 0.801 4.989 4.170 0.030 0.000 0.297 80 I C 0.148 176.388 176.117 0.205 0.000 1.011 80 I CA -0.689 60.651 61.300 0.067 0.000 1.107 80 I CB 1.812 39.815 38.000 0.006 0.000 1.285 80 I HN 0.684 nan 8.210 nan 0.000 0.436 81 A N 8.478 131.408 122.820 0.183 0.000 2.253 81 A HA 0.675 5.013 4.320 0.030 0.000 0.316 81 A C -1.033 176.701 177.584 0.250 0.000 1.327 81 A CA -0.451 51.647 52.037 0.101 0.000 0.917 81 A CB 0.227 18.980 19.000 -0.411 0.000 1.162 81 A HN 0.662 nan 8.150 nan 0.000 0.535 82 L N 3.038 124.524 121.223 0.437 0.000 2.334 82 L HA 0.638 4.995 4.340 0.030 0.000 0.276 82 L C 0.206 177.345 176.870 0.448 0.000 1.014 82 L CA -0.680 54.422 54.840 0.436 0.000 0.815 82 L CB 2.018 44.258 42.059 0.302 0.000 1.268 82 L HN 0.878 nan 8.230 nan 0.000 0.428 83 K N 1.873 122.445 120.400 0.287 0.000 2.435 83 K HA 0.932 5.270 4.320 0.030 0.000 0.251 83 K C -1.525 175.056 176.600 -0.032 0.000 0.954 83 K CA -0.865 55.425 56.287 0.005 0.000 0.820 83 K CB 2.697 34.913 32.500 -0.474 0.000 1.292 83 K HN 0.559 nan 8.250 nan 0.000 0.436 84 A N 1.674 124.455 122.820 -0.067 0.000 2.599 84 A HA 0.643 4.981 4.320 0.030 0.000 0.281 84 A C 0.467 177.995 177.584 -0.093 0.000 1.137 84 A CA -0.000 52.002 52.037 -0.058 0.000 0.767 84 A CB 0.444 19.435 19.000 -0.015 0.000 1.266 84 A HN 1.338 nan 8.150 nan 0.000 0.420 85 G N 2.610 111.340 108.800 -0.116 0.000 2.596 85 G HA2 -0.341 3.637 3.960 0.030 0.000 0.304 85 G HA3 -0.341 3.637 3.960 0.030 0.000 0.304 85 G C 0.833 175.636 174.900 -0.162 0.000 1.189 85 G CA 0.821 45.847 45.100 -0.122 0.000 0.986 85 G HN 0.904 nan 8.290 nan 0.000 0.548 86 K N 0.771 121.084 120.400 -0.146 0.000 2.444 86 K HA 0.207 4.544 4.320 0.030 0.000 0.193 86 K C 0.504 176.999 176.600 -0.174 0.000 1.024 86 K CA 0.597 56.780 56.287 -0.173 0.000 1.077 86 K CB 0.330 32.732 32.500 -0.163 0.000 0.833 86 K HN 0.318 nan 8.250 nan 0.000 0.517 87 T N 2.583 117.057 114.554 -0.133 0.000 2.729 87 T HA 0.331 4.699 4.350 0.030 0.000 0.296 87 T C -0.258 174.411 174.700 -0.051 0.000 0.928 87 T CA -0.217 61.828 62.100 -0.091 0.000 1.045 87 T CB 0.489 69.328 68.868 -0.048 0.000 0.902 87 T HN 0.041 nan 8.240 nan 0.000 0.500 88 L N 4.318 125.541 121.223 -0.000 0.000 2.333 88 L HA 0.551 4.909 4.340 0.030 0.000 0.280 88 L C -0.006 177.020 176.870 0.260 0.000 1.004 88 L CA -0.866 54.062 54.840 0.146 0.000 0.820 88 L CB 1.572 43.749 42.059 0.197 0.000 1.247 88 L HN 0.488 nan 8.230 nan 0.000 0.416 89 Q N 3.442 123.423 119.800 0.302 0.000 2.372 89 Q HA 0.651 5.009 4.340 0.030 0.000 0.273 89 Q C -1.483 174.634 176.000 0.196 0.000 1.078 89 Q CA -0.895 55.025 55.803 0.194 0.000 0.806 89 Q CB 3.522 32.346 28.738 0.144 0.000 1.332 89 Q HN 0.414 nan 8.270 nan 0.000 0.435 90 I N 1.896 122.449 120.570 -0.028 0.000 2.436 90 I HA 0.426 4.613 4.170 0.030 0.000 0.289 90 I C -1.161 174.848 176.117 -0.181 0.000 1.010 90 I CA -0.130 61.173 61.300 0.004 0.000 1.098 90 I CB 0.985 38.951 38.000 -0.057 0.000 1.266 90 I HN 0.443 nan 8.210 nan 0.000 0.434 91 F N 3.385 123.357 119.950 0.036 0.000 2.538 91 F HA 0.420 4.965 4.527 0.029 0.000 0.325 91 F C 0.526 176.312 175.800 -0.023 0.000 1.066 91 F CA -0.891 57.114 58.000 0.009 0.000 0.946 91 F CB 1.403 40.409 39.000 0.009 0.000 1.199 91 F HN 0.360 nan 8.300 nan 0.000 0.473 92 N N 2.310 121.113 118.700 0.171 0.000 2.801 92 N HA 0.309 5.067 4.740 0.030 0.000 0.235 92 N C 1.057 176.607 175.510 0.067 0.000 1.069 92 N CA -0.064 53.025 53.050 0.065 0.000 0.946 92 N CB 0.195 38.698 38.487 0.026 0.000 1.212 92 N HN 0.644 nan 8.380 nan 0.000 0.509 93 I N 1.410 121.997 120.570 0.029 0.000 2.147 93 I HA -0.418 3.770 4.170 0.030 0.000 0.245 93 I C 1.881 177.998 176.117 -0.000 0.000 1.059 93 I CA 1.625 62.922 61.300 -0.005 0.000 1.320 93 I CB -0.157 37.806 38.000 -0.062 0.000 1.021 93 I HN 0.670 nan 8.210 nan 0.000 0.415 94 E N 0.760 120.957 120.200 -0.004 0.000 2.031 94 E HA -0.229 4.139 4.350 0.030 0.000 0.193 94 E C 1.927 178.535 176.600 0.013 0.000 0.994 94 E CA 1.758 58.160 56.400 0.004 0.000 0.800 94 E CB -0.209 29.492 29.700 0.002 0.000 0.752 94 E HN 0.612 nan 8.360 nan 0.000 0.447 95 M N -0.048 119.564 119.600 0.020 0.000 2.581 95 M HA 0.252 4.750 4.480 0.030 0.000 0.224 95 M C -0.432 175.895 176.300 0.045 0.000 1.171 95 M CA 0.236 55.552 55.300 0.026 0.000 0.993 95 M CB -0.079 32.533 32.600 0.019 0.000 1.685 95 M HN -0.198 nan 8.290 nan 0.000 0.479 96 K N 1.693 122.128 120.400 0.059 0.000 3.071 96 K HA -0.169 4.169 4.320 0.030 0.000 0.262 96 K C -0.371 176.316 176.600 0.145 0.000 0.977 96 K CA 0.772 57.111 56.287 0.086 0.000 0.721 96 K CB -2.175 30.355 32.500 0.049 0.000 1.293 96 K HN 0.819 nan 8.250 nan 0.000 0.475 97 S N -0.825 114.983 115.700 0.179 0.000 2.632 97 S HA 0.496 4.983 4.470 0.030 0.000 0.289 97 S C -0.668 173.996 174.600 0.107 0.000 1.115 97 S CA -1.219 57.069 58.200 0.148 0.000 0.889 97 S CB 2.535 65.767 63.200 0.054 0.000 1.116 97 S HN 0.215 nan 8.310 nan 0.000 0.486 98 K N 1.333 121.672 120.400 -0.101 0.000 2.267 98 K HA 0.259 4.597 4.320 0.030 0.000 0.282 98 K C 0.585 177.033 176.600 -0.253 0.000 1.078 98 K CA -0.739 55.250 56.287 -0.496 0.000 0.903 98 K CB 0.532 32.726 32.500 -0.511 0.000 1.111 98 K HN 0.592 nan 8.250 nan 0.000 0.475 99 M N 2.288 121.751 119.600 -0.228 0.000 2.115 99 M HA 0.023 4.521 4.480 0.030 0.000 0.261 99 M C 0.448 176.690 176.300 -0.097 0.000 1.079 99 M CA 1.652 56.880 55.300 -0.119 0.000 1.143 99 M CB -0.639 31.905 32.600 -0.093 0.000 1.332 99 M HN 0.376 nan 8.290 nan 0.000 0.421 100 K N -0.886 119.451 120.400 -0.105 0.000 2.466 100 K HA 0.798 5.136 4.320 0.030 0.000 0.260 100 K C -1.359 175.299 176.600 0.096 0.000 1.011 100 K CA -0.740 55.557 56.287 0.017 0.000 0.871 100 K CB 2.743 35.247 32.500 0.006 0.000 1.404 100 K HN 0.109 nan 8.250 nan 0.000 0.450 101 A N 1.015 123.990 122.820 0.258 0.000 2.566 101 A HA 0.594 4.932 4.320 0.030 0.000 0.297 101 A C -2.061 175.677 177.584 0.257 0.000 1.059 101 A CA -0.487 51.697 52.037 0.246 0.000 0.691 101 A CB 1.329 20.369 19.000 0.067 0.000 1.282 101 A HN 0.859 nan 8.150 nan 0.000 0.401 102 H N -0.063 119.007 119.070 -0.001 0.000 2.996 102 H HA 0.726 5.292 4.556 0.017 0.000 0.368 102 H C -1.212 173.978 175.328 -0.230 0.000 1.185 102 H CA 0.034 55.931 56.048 -0.252 0.000 1.160 102 H CB 2.132 31.441 29.762 -0.755 0.000 1.820 102 H HN 0.509 nan 8.280 nan 0.000 0.547 103 T N 6.056 120.080 114.554 -0.883 0.000 2.842 103 T HA 0.262 4.630 4.350 0.030 0.000 0.308 103 T C 0.107 174.362 174.700 -0.742 0.000 1.041 103 T CA -0.854 60.895 62.100 -0.584 0.000 0.964 103 T CB 0.152 68.794 68.868 -0.376 0.000 0.972 103 T HN 0.394 nan 8.240 nan 0.000 0.460 104 M N 1.835 121.186 119.600 -0.415 0.000 2.232 104 M HA 0.149 4.647 4.480 0.030 0.000 0.321 104 M C 1.392 177.545 176.300 -0.245 0.000 1.101 104 M CA 0.358 55.496 55.300 -0.270 0.000 1.181 104 M CB 0.146 32.608 32.600 -0.229 0.000 1.432 104 M HN 0.434 nan 8.290 nan 0.000 0.457 105 T N -0.015 114.416 114.554 -0.205 0.000 3.107 105 T HA 0.112 4.480 4.350 0.030 0.000 0.249 105 T C 0.033 174.659 174.700 -0.123 0.000 1.096 105 T CA 0.336 62.344 62.100 -0.153 0.000 1.012 105 T CB 0.039 68.833 68.868 -0.123 0.000 0.977 105 T HN 0.519 nan 8.240 nan 0.000 0.527 106 D N 0.772 121.092 120.400 -0.135 0.000 2.581 106 D HA 0.268 4.926 4.640 0.030 0.000 0.232 106 D C -1.275 174.951 176.300 -0.123 0.000 1.143 106 D CA -0.567 53.372 54.000 -0.102 0.000 0.881 106 D CB 2.079 42.840 40.800 -0.065 0.000 1.500 106 D HN -0.047 nan 8.370 nan 0.000 0.458 107 D N 0.229 120.567 120.400 -0.103 0.000 2.362 107 D HA 0.190 4.847 4.640 0.030 0.000 0.242 107 D C -0.228 175.993 176.300 -0.131 0.000 1.132 107 D CA 0.022 53.947 54.000 -0.124 0.000 0.907 107 D CB 1.344 42.087 40.800 -0.095 0.000 1.195 107 D HN -0.101 nan 8.370 nan 0.000 0.429 108 V N 1.975 121.770 119.914 -0.199 0.000 2.364 108 V HA 0.093 4.231 4.120 0.030 0.000 0.272 108 V C 1.491 177.490 176.094 -0.159 0.000 1.036 108 V CA -0.230 61.942 62.300 -0.213 0.000 0.880 108 V CB 1.267 32.837 31.823 -0.420 0.000 0.991 108 V HN 0.678 nan 8.190 nan 0.000 0.460 109 T N 4.501 119.040 114.554 -0.026 0.000 3.014 109 T HA 0.143 4.511 4.350 0.030 0.000 0.263 109 T C -0.006 174.817 174.700 0.206 0.000 1.078 109 T CA 0.767 62.906 62.100 0.066 0.000 1.135 109 T CB -0.113 68.813 68.868 0.097 0.000 0.895 109 T HN 0.477 nan 8.240 nan 0.000 0.480 110 F N 1.694 121.666 119.950 0.036 0.000 2.654 110 F HA 0.511 5.051 4.527 0.022 0.000 0.314 110 F C -2.383 173.577 175.800 0.267 0.000 1.116 110 F CA -1.206 56.894 58.000 0.167 0.000 1.017 110 F CB 1.169 40.297 39.000 0.213 0.000 1.285 110 F HN 0.157 nan 8.300 nan 0.000 0.448 111 W N 5.630 126.554 121.300 -0.626 0.000 3.213 111 W HA 0.713 5.394 4.660 0.035 0.000 0.318 111 W C -2.309 173.892 176.519 -0.531 0.000 1.248 111 W CA -1.810 55.297 57.345 -0.397 0.000 1.187 111 W CB 0.669 30.005 29.460 -0.207 0.000 1.403 111 W HN 0.847 nan 8.180 nan 0.000 0.556 112 K N 0.838 121.097 120.400 -0.235 0.000 2.587 112 K HA 0.456 4.794 4.320 0.030 0.000 0.276 112 K C -1.618 174.909 176.600 -0.121 0.000 0.956 112 K CA -0.639 55.504 56.287 -0.240 0.000 0.857 112 K CB 1.286 33.778 32.500 -0.014 0.000 1.431 112 K HN 0.367 nan 8.250 nan 0.000 0.420 113 W N 3.279 124.503 121.300 -0.127 0.000 2.210 113 W HA 0.240 4.924 4.660 0.040 0.000 0.330 113 W C 1.175 177.708 176.519 0.023 0.000 1.334 113 W CA -0.276 57.024 57.345 -0.074 0.000 1.227 113 W CB 0.498 29.892 29.460 -0.111 0.000 1.178 113 W HN 0.631 nan 8.180 nan 0.000 0.560 114 I N 0.253 120.974 120.570 0.252 0.000 4.240 114 I HA 0.384 4.572 4.170 0.030 0.000 0.331 114 I C 0.364 176.563 176.117 0.136 0.000 1.381 114 I CA -0.182 61.228 61.300 0.184 0.000 1.136 114 I CB -0.123 37.963 38.000 0.144 0.000 1.137 114 I HN 0.213 nan 8.210 nan 0.000 0.411 115 S N -0.318 115.483 115.700 0.169 0.000 2.655 115 S HA 0.392 4.879 4.470 0.030 0.000 0.266 115 S C 0.238 174.904 174.600 0.110 0.000 1.149 115 S CA -0.833 57.433 58.200 0.110 0.000 0.818 115 S CB 0.954 64.198 63.200 0.074 0.000 1.130 115 S HN -0.038 nan 8.310 nan 0.000 0.476 116 L N 1.486 122.729 121.223 0.033 0.000 2.131 116 L HA 0.014 4.372 4.340 0.030 0.000 0.210 116 L C 1.385 178.238 176.870 -0.028 0.000 1.092 116 L CA 2.466 57.278 54.840 -0.045 0.000 0.759 116 L CB -1.870 40.161 42.059 -0.046 0.000 0.903 116 L HN 1.001 nan 8.230 nan 0.000 0.435 117 N N -2.444 116.304 118.700 0.080 0.000 2.299 117 N HA 0.030 4.787 4.740 0.030 0.000 0.246 117 N C -0.428 175.197 175.510 0.192 0.000 1.254 117 N CA -0.175 52.957 53.050 0.136 0.000 0.879 117 N CB 0.467 38.979 38.487 0.042 0.000 1.214 117 N HN -0.135 nan 8.380 nan 0.000 0.510 118 T N 0.044 114.752 114.554 0.256 0.000 2.921 118 T HA 0.481 4.849 4.350 0.030 0.000 0.297 118 T C -1.040 173.639 174.700 -0.035 0.000 1.013 118 T CA -0.543 61.600 62.100 0.072 0.000 0.990 118 T CB 2.184 71.061 68.868 0.014 0.000 1.023 118 T HN -0.065 nan 8.240 nan 0.000 0.447 119 V N 2.218 121.950 119.914 -0.304 0.000 2.459 119 V HA 0.802 4.940 4.120 0.030 0.000 0.295 119 V C 0.272 176.326 176.094 -0.068 0.000 1.029 119 V CA -1.046 60.954 62.300 -0.501 0.000 0.874 119 V CB 1.387 32.668 31.823 -0.904 0.000 0.985 119 V HN 1.084 nan 8.190 nan 0.000 0.438 120 A N 5.913 128.745 122.820 0.020 0.000 2.309 120 A HA 0.866 5.204 4.320 0.030 0.000 0.298 120 A C -0.688 177.013 177.584 0.195 0.000 1.165 120 A CA -0.415 51.742 52.037 0.201 0.000 0.821 120 A CB 0.387 19.570 19.000 0.306 0.000 1.102 120 A HN 0.821 nan 8.150 nan 0.000 0.500 121 L N 2.956 124.293 121.223 0.190 0.000 2.333 121 L HA 0.544 4.902 4.340 0.030 0.000 0.280 121 L C -0.805 176.130 176.870 0.108 0.000 1.004 121 L CA -0.753 54.203 54.840 0.193 0.000 0.820 121 L CB 1.914 44.064 42.059 0.153 0.000 1.247 121 L HN 0.399 nan 8.230 nan 0.000 0.416 122 V N 1.840 121.827 119.914 0.121 0.000 2.417 122 V HA 0.535 4.673 4.120 0.030 0.000 0.291 122 V C 0.150 176.280 176.094 0.061 0.000 1.024 122 V CA -0.324 62.018 62.300 0.069 0.000 0.861 122 V CB 1.754 33.680 31.823 0.172 0.000 0.985 122 V HN 0.760 nan 8.190 nan 0.000 0.436 123 T N 1.913 116.484 114.554 0.027 0.000 2.950 123 T HA 0.243 4.611 4.350 0.030 0.000 0.288 123 T C 0.762 175.460 174.700 -0.005 0.000 1.035 123 T CA -0.427 61.687 62.100 0.023 0.000 1.028 123 T CB 1.542 70.466 68.868 0.094 0.000 1.109 123 T HN 0.732 nan 8.240 nan 0.000 0.514 124 D N 1.529 121.926 120.400 -0.005 0.000 2.315 124 D HA -0.107 4.551 4.640 0.030 0.000 0.211 124 D C 1.430 177.716 176.300 -0.023 0.000 0.977 124 D CA 1.138 55.133 54.000 -0.008 0.000 0.894 124 D CB 0.166 40.960 40.800 -0.009 0.000 0.910 124 D HN 0.628 nan 8.370 nan 0.000 0.490 125 N N -1.178 117.496 118.700 -0.043 0.000 2.082 125 N HA 0.257 5.015 4.740 0.030 0.000 0.228 125 N C -0.071 175.349 175.510 -0.150 0.000 1.341 125 N CA -0.205 52.803 53.050 -0.071 0.000 0.873 125 N CB 1.309 39.764 38.487 -0.054 0.000 1.137 125 N HN -0.006 nan 8.380 nan 0.000 0.505 126 A N 0.217 122.906 122.820 -0.217 0.000 2.610 126 A HA 0.656 4.994 4.320 0.030 0.000 0.291 126 A C -1.672 175.517 177.584 -0.659 0.000 1.086 126 A CA -0.517 51.218 52.037 -0.504 0.000 0.677 126 A CB 1.750 20.394 19.000 -0.593 0.000 1.278 126 A HN -0.070 nan 8.150 nan 0.000 0.414 127 V N 1.033 120.282 119.914 -1.107 0.000 2.495 127 V HA 0.627 4.765 4.120 0.030 0.000 0.298 127 V C -1.344 174.146 176.094 -1.006 0.000 1.031 127 V CA -0.317 61.390 62.300 -0.989 0.000 0.871 127 V CB 1.166 32.168 31.823 -1.368 0.000 0.988 127 V HN 0.759 nan 8.190 nan 0.000 0.432 128 Y N 2.040 122.123 120.300 -0.361 0.000 2.536 128 Y HA 0.609 5.104 4.550 -0.091 0.000 0.347 128 Y C 0.099 176.001 175.900 0.002 0.000 1.000 128 Y CA -0.828 57.139 58.100 -0.223 0.000 1.051 128 Y CB 1.728 40.083 38.460 -0.175 0.000 1.259 128 Y HN 0.586 nan 8.280 nan 0.000 0.468 129 H N 0.395 119.558 119.070 0.155 0.000 2.489 129 H HA 0.226 4.804 4.556 0.036 0.000 0.343 129 H C -1.732 173.737 175.328 0.235 0.000 1.086 129 H CA -0.810 55.343 56.048 0.174 0.000 1.198 129 H CB 1.631 31.495 29.762 0.169 0.000 1.490 129 H HN 0.689 nan 8.280 nan 0.000 0.504 130 W N 4.282 125.631 121.300 0.083 0.000 2.587 130 W HA 0.305 4.994 4.660 0.049 0.000 0.324 130 W C -0.730 175.772 176.519 -0.028 0.000 1.008 130 W CA -0.832 56.505 57.345 -0.013 0.000 1.265 130 W CB 1.547 30.954 29.460 -0.088 0.000 1.328 130 W HN 0.380 nan 8.180 nan 0.000 0.432 131 S N 4.746 120.486 115.700 0.067 0.000 2.603 131 S HA 0.304 4.792 4.470 0.030 0.000 0.268 131 S C 0.851 175.265 174.600 -0.310 0.000 1.317 131 S CA -0.089 58.064 58.200 -0.078 0.000 1.012 131 S CB 0.752 63.971 63.200 0.032 0.000 0.926 131 S HN 0.524 nan 8.310 nan 0.000 0.539 132 M N 1.602 121.080 119.600 -0.204 0.000 2.382 132 M HA 0.285 4.783 4.480 0.030 0.000 0.247 132 M C 0.340 176.575 176.300 -0.109 0.000 1.104 132 M CA 0.190 55.350 55.300 -0.233 0.000 1.030 132 M CB -1.200 31.324 32.600 -0.126 0.000 1.424 132 M HN 0.610 nan 8.290 nan 0.000 0.486 133 E N 1.913 122.081 120.200 -0.055 0.000 1.774 133 E HA 0.399 4.767 4.350 0.030 0.000 0.265 133 E C 0.925 177.525 176.600 -0.001 0.000 1.207 133 E CA 0.799 57.189 56.400 -0.016 0.000 1.054 133 E CB -0.560 29.142 29.700 0.004 0.000 1.074 133 E HN 0.547 nan 8.360 nan 0.000 0.433 134 G N 3.590 112.386 108.800 -0.006 0.000 2.545 134 G HA2 -0.276 3.701 3.960 0.030 0.000 0.240 134 G HA3 -0.276 3.701 3.960 0.030 0.000 0.240 134 G C -0.278 174.637 174.900 0.026 0.000 1.172 134 G CA -0.219 44.887 45.100 0.010 0.000 0.949 134 G HN 0.457 nan 8.290 nan 0.000 0.574 135 E N 1.621 121.845 120.200 0.041 0.000 2.206 135 E HA 0.558 4.926 4.350 0.030 0.000 0.244 135 E C -0.455 176.200 176.600 0.091 0.000 1.055 135 E CA 0.028 56.464 56.400 0.060 0.000 0.970 135 E CB 0.575 30.303 29.700 0.046 0.000 1.256 135 E HN 0.441 nan 8.360 nan 0.000 0.456 136 S N 1.417 117.206 115.700 0.148 0.000 2.704 136 S HA 0.513 5.001 4.470 0.030 0.000 0.296 136 S C -0.776 174.021 174.600 0.328 0.000 1.138 136 S CA -1.020 57.302 58.200 0.204 0.000 0.875 136 S CB 1.806 65.129 63.200 0.205 0.000 1.151 136 S HN 0.411 nan 8.310 nan 0.000 0.500 137 Q N -1.039 118.883 119.800 0.203 0.000 2.501 137 Q HA 0.651 5.008 4.340 0.030 0.000 0.288 137 Q C -3.324 172.526 176.000 -0.249 0.000 1.051 137 Q CA -2.335 53.405 55.803 -0.106 0.000 0.788 137 Q CB 0.141 28.787 28.738 -0.152 0.000 1.469 137 Q HN 0.170 nan 8.270 nan 0.000 0.416 138 P HA -0.020 nan 4.420 nan 0.000 0.266 138 P C -1.108 176.112 177.300 -0.132 0.000 1.186 138 P CA 0.099 62.898 63.100 -0.503 0.000 0.767 138 P CB 0.454 31.608 31.700 -0.911 0.000 0.820 139 V N 3.320 123.283 119.914 0.082 0.000 2.588 139 V HA 0.267 4.405 4.120 0.030 0.000 0.304 139 V C 0.181 176.373 176.094 0.163 0.000 1.042 139 V CA -0.800 61.569 62.300 0.116 0.000 0.877 139 V CB 1.920 33.803 31.823 0.099 0.000 0.996 139 V HN 0.411 nan 8.190 nan 0.000 0.425 140 K N 4.215 124.676 120.400 0.102 0.000 2.339 140 K HA 0.262 4.599 4.320 0.030 0.000 0.286 140 K C 0.677 177.091 176.600 -0.311 0.000 1.050 140 K CA -0.463 55.645 56.287 -0.299 0.000 0.956 140 K CB 0.743 33.064 32.500 -0.300 0.000 0.990 140 K HN 0.553 nan 8.250 nan 0.000 0.475 141 M N 4.066 123.371 119.600 -0.491 0.000 2.447 141 M HA 0.143 4.640 4.480 0.030 0.000 0.266 141 M C 0.059 176.166 176.300 -0.321 0.000 1.120 141 M CA 0.803 55.918 55.300 -0.308 0.000 1.166 141 M CB -0.662 31.733 32.600 -0.341 0.000 1.349 141 M HN 0.609 nan 8.290 nan 0.000 0.463 142 F N -2.824 116.726 119.950 -0.666 0.000 2.793 142 F HA 0.459 5.021 4.527 0.058 0.000 0.316 142 F C -1.605 173.886 175.800 -0.515 0.000 1.147 142 F CA -1.836 55.699 58.000 -0.774 0.000 0.930 142 F CB 0.485 38.544 39.000 -1.568 0.000 1.277 142 F HN -0.257 nan 8.300 nan 0.000 0.443 143 D N 2.420 122.685 120.400 -0.225 0.000 2.277 143 D HA 0.271 4.929 4.640 0.030 0.000 0.249 143 D C -0.067 176.222 176.300 -0.018 0.000 1.134 143 D CA -0.245 53.639 54.000 -0.193 0.000 0.863 143 D CB 1.443 42.177 40.800 -0.110 0.000 1.143 143 D HN 0.504 nan 8.370 nan 0.000 0.458 144 R N 1.380 121.830 120.500 -0.082 0.000 2.697 144 R HA -0.048 4.310 4.340 0.030 0.000 0.265 144 R C 0.768 177.142 176.300 0.124 0.000 1.009 144 R CA 0.122 56.267 56.100 0.075 0.000 1.099 144 R CB 0.425 30.729 30.300 0.007 0.000 0.965 144 R HN 0.466 nan 8.270 nan 0.000 0.428 145 H N 0.924 120.046 119.070 0.088 0.000 2.511 145 H HA 0.022 4.596 4.556 0.030 0.000 0.346 145 H C 0.621 175.964 175.328 0.024 0.000 1.128 145 H CA 0.172 56.251 56.048 0.050 0.000 1.342 145 H CB 1.273 31.065 29.762 0.050 0.000 1.470 145 H HN 0.697 nan 8.280 nan 0.000 0.546 146 S N 2.282 117.865 115.700 -0.195 0.000 2.419 146 S HA -0.231 4.256 4.470 0.030 0.000 0.235 146 S C 2.056 176.741 174.600 0.142 0.000 1.019 146 S CA 1.183 59.352 58.200 -0.050 0.000 0.982 146 S CB -0.458 62.641 63.200 -0.168 0.000 0.789 146 S HN 0.671 nan 8.310 nan 0.000 0.490 147 S N 1.214 117.204 115.700 0.482 0.000 2.500 147 S HA 0.072 4.560 4.470 0.030 0.000 0.239 147 S C 1.219 175.884 174.600 0.108 0.000 0.989 147 S CA 0.628 58.979 58.200 0.253 0.000 0.951 147 S CB -0.442 62.834 63.200 0.126 0.000 0.759 147 S HN 0.406 nan 8.310 nan 0.000 0.523 148 L N 0.781 122.075 121.223 0.118 0.000 2.766 148 L HA 0.500 4.858 4.340 0.030 0.000 0.242 148 L C 1.015 177.910 176.870 0.042 0.000 1.136 148 L CA 0.113 54.987 54.840 0.056 0.000 0.933 148 L CB -0.185 41.912 42.059 0.063 0.000 1.241 148 L HN 0.294 nan 8.230 nan 0.000 0.522 149 A N 0.011 122.857 122.820 0.044 0.000 2.515 149 A HA 0.438 4.776 4.320 0.030 0.000 0.263 149 A C 1.507 179.100 177.584 0.014 0.000 1.096 149 A CA 0.856 52.907 52.037 0.023 0.000 0.769 149 A CB -0.633 18.376 19.000 0.014 0.000 1.040 149 A HN 0.644 nan 8.150 nan 0.000 0.505 150 G N 1.247 110.055 108.800 0.012 0.000 2.254 150 G HA2 -0.256 3.722 3.960 0.030 0.000 0.225 150 G HA3 -0.256 3.722 3.960 0.030 0.000 0.225 150 G C 0.615 175.520 174.900 0.009 0.000 1.003 150 G CA -0.002 45.103 45.100 0.009 0.000 0.622 150 G HN 1.086 nan 8.290 nan 0.000 0.507 151 C N 1.369 120.673 119.300 0.007 0.000 2.758 151 C HA 0.530 5.008 4.460 0.030 0.000 0.371 151 C C 0.981 175.980 174.990 0.015 0.000 1.342 151 C CA 0.392 59.409 59.018 -0.001 0.000 2.257 151 C CB 0.931 28.663 27.740 -0.013 0.000 2.621 151 C HN 0.680 nan 8.230 nan 0.000 0.730 152 Q N 1.319 121.127 119.800 0.014 0.000 2.340 152 Q HA 0.369 4.727 4.340 0.030 0.000 0.259 152 Q C -0.800 175.220 176.000 0.032 0.000 0.964 152 Q CA -0.503 55.329 55.803 0.048 0.000 0.900 152 Q CB 0.446 29.218 28.738 0.056 0.000 1.228 152 Q HN 0.585 nan 8.270 nan 0.000 0.449 153 I N 6.952 127.553 120.570 0.051 0.000 2.517 153 I HA -0.048 4.140 4.170 0.030 0.000 0.285 153 I C 1.101 177.155 176.117 -0.105 0.000 1.106 153 I CA 0.486 61.746 61.300 -0.067 0.000 1.402 153 I CB 0.227 38.188 38.000 -0.066 0.000 1.399 153 I HN 0.813 nan 8.210 nan 0.000 0.535 154 I N 2.254 122.684 120.570 -0.233 0.000 4.288 154 I HA 0.391 4.579 4.170 0.030 0.000 0.331 154 I C 0.182 176.218 176.117 -0.135 0.000 1.322 154 I CA -0.052 61.185 61.300 -0.105 0.000 1.149 154 I CB 0.698 38.621 38.000 -0.128 0.000 1.112 154 I HN 0.551 nan 8.210 nan 0.000 0.403 155 N N 0.295 118.732 118.700 -0.438 0.000 2.815 155 N HA 0.351 5.109 4.740 0.030 0.000 0.253 155 N C -2.183 173.374 175.510 0.079 0.000 1.202 155 N CA -0.452 52.557 53.050 -0.069 0.000 0.925 155 N CB 1.709 40.306 38.487 0.183 0.000 1.622 155 N HN 0.167 nan 8.380 nan 0.000 0.497 156 Y N 1.974 122.449 120.300 0.293 0.000 2.386 156 Y HA 0.636 5.211 4.550 0.042 0.000 0.334 156 Y C -0.972 175.163 175.900 0.392 0.000 1.002 156 Y CA -0.424 57.896 58.100 0.367 0.000 1.068 156 Y CB 1.114 39.878 38.460 0.507 0.000 1.203 156 Y HN 0.564 nan 8.280 nan 0.000 0.443 157 R N 2.710 123.097 120.500 -0.188 0.000 2.888 157 R HA 0.803 5.161 4.340 0.030 0.000 0.264 157 R C -1.248 174.969 176.300 -0.137 0.000 1.045 157 R CA -1.220 54.871 56.100 -0.015 0.000 0.962 157 R CB 2.474 32.925 30.300 0.252 0.000 1.210 157 R HN 0.655 nan 8.270 nan 0.000 0.479 158 T N 0.455 115.039 114.554 0.050 0.000 2.883 158 T HA 0.187 4.555 4.350 0.030 0.000 0.301 158 T C -1.455 173.131 174.700 -0.190 0.000 1.158 158 T CA -0.810 61.230 62.100 -0.101 0.000 1.007 158 T CB 1.843 70.685 68.868 -0.044 0.000 1.186 158 T HN 0.729 nan 8.240 nan 0.000 0.499 159 D N 0.666 120.710 120.400 -0.593 0.000 2.411 159 D HA 0.612 5.270 4.640 0.030 0.000 0.251 159 D C 1.573 177.814 176.300 -0.099 0.000 1.201 159 D CA -0.252 53.481 54.000 -0.445 0.000 0.996 159 D CB 0.584 41.036 40.800 -0.580 0.000 1.101 159 D HN 0.483 nan 8.370 nan 0.000 0.504 160 A N 0.715 123.534 122.820 -0.001 0.000 1.869 160 A HA -0.293 4.044 4.320 0.030 0.000 0.218 160 A C 1.943 179.540 177.584 0.021 0.000 1.203 160 A CA 2.085 54.140 52.037 0.029 0.000 0.638 160 A CB -0.974 18.054 19.000 0.047 0.000 0.831 160 A HN 0.687 nan 8.150 nan 0.000 0.450 161 K N -0.634 119.780 120.400 0.024 0.000 2.569 161 K HA 0.041 4.379 4.320 0.030 0.000 0.193 161 K C 0.110 176.721 176.600 0.018 0.000 1.026 161 K CA 0.479 56.782 56.287 0.028 0.000 1.093 161 K CB -0.212 32.312 32.500 0.040 0.000 0.849 161 K HN 0.548 nan 8.250 nan 0.000 0.509 162 Q N -0.276 119.525 119.800 0.002 0.000 2.480 162 Q HA -0.205 4.153 4.340 0.030 0.000 0.265 162 Q C 0.045 176.043 176.000 -0.003 0.000 1.072 162 Q CA 0.583 56.401 55.803 0.026 0.000 1.018 162 Q CB -0.390 28.396 28.738 0.080 0.000 1.433 162 Q HN 0.130 nan 8.270 nan 0.000 0.513 163 K N -1.182 119.167 120.400 -0.086 0.000 2.374 163 K HA 0.098 4.436 4.320 0.030 0.000 0.196 163 K C -0.590 175.580 176.600 -0.716 0.000 1.023 163 K CA 0.620 56.732 56.287 -0.292 0.000 1.103 163 K CB 0.426 32.787 32.500 -0.231 0.000 0.848 163 K HN 0.236 nan 8.250 nan 0.000 0.528 164 W N 1.250 122.387 121.300 -0.271 0.000 2.968 164 W HA 0.413 5.093 4.660 0.033 0.000 0.337 164 W C -0.706 175.601 176.519 -0.352 0.000 1.060 164 W CA -0.543 56.587 57.345 -0.358 0.000 1.240 164 W CB 0.896 30.046 29.460 -0.517 0.000 1.370 164 W HN -0.285 nan 8.180 nan 0.000 0.459 165 L N 4.185 125.424 121.223 0.026 0.000 2.334 165 L HA 0.773 5.131 4.340 0.030 0.000 0.273 165 L C -0.820 176.127 176.870 0.128 0.000 1.013 165 L CA -1.391 53.509 54.840 0.099 0.000 0.816 165 L CB 1.549 43.829 42.059 0.368 0.000 1.278 165 L HN 0.251 nan 8.230 nan 0.000 0.431 166 L N 3.601 124.888 121.223 0.106 0.000 2.415 166 L HA 0.516 4.874 4.340 0.030 0.000 0.268 166 L C -1.171 175.846 176.870 0.245 0.000 0.984 166 L CA -0.295 54.645 54.840 0.166 0.000 0.853 166 L CB 1.596 43.802 42.059 0.246 0.000 1.215 166 L HN 0.486 nan 8.230 nan 0.000 0.419 167 L N 4.320 125.757 121.223 0.356 0.000 2.307 167 L HA 0.791 5.149 4.340 0.030 0.000 0.282 167 L C -0.469 176.511 176.870 0.185 0.000 1.051 167 L CA 0.558 55.648 54.840 0.416 0.000 0.804 167 L CB 1.797 44.143 42.059 0.478 0.000 1.197 167 L HN 0.675 nan 8.230 nan 0.000 0.431 168 T N 3.713 118.330 114.554 0.106 0.000 2.886 168 T HA 0.820 5.188 4.350 0.030 0.000 0.292 168 T C -0.364 174.318 174.700 -0.030 0.000 1.012 168 T CA -0.420 61.699 62.100 0.031 0.000 0.982 168 T CB 1.610 70.508 68.868 0.049 0.000 1.018 168 T HN 0.913 nan 8.240 nan 0.000 0.451 169 G N 1.619 110.396 108.800 -0.038 0.000 2.619 169 G HA2 0.812 4.790 3.960 0.030 0.000 0.296 169 G HA3 0.812 4.790 3.960 0.030 0.000 0.296 169 G C -1.166 173.689 174.900 -0.074 0.000 1.334 169 G CA -0.922 44.148 45.100 -0.049 0.000 0.934 169 G HN 0.921 nan 8.290 nan 0.000 0.476 170 I N -1.217 119.312 120.570 -0.069 0.000 2.892 170 I HA 0.936 5.124 4.170 0.030 0.000 0.306 170 I C -0.162 175.907 176.117 -0.080 0.000 1.078 170 I CA -1.095 60.141 61.300 -0.107 0.000 1.032 170 I CB 2.599 40.536 38.000 -0.104 0.000 1.229 170 I HN 0.702 nan 8.210 nan 0.000 0.435 171 S N 2.244 117.885 115.700 -0.098 0.000 2.587 171 S HA 0.824 5.312 4.470 0.030 0.000 0.269 171 S C -0.905 173.652 174.600 -0.072 0.000 1.154 171 S CA -0.619 57.542 58.200 -0.064 0.000 0.824 171 S CB 1.265 64.437 63.200 -0.046 0.000 1.118 171 S HN 1.280 nan 8.310 nan 0.000 0.462 172 A N 1.264 124.057 122.820 -0.046 0.000 2.309 172 A HA 0.705 5.043 4.320 0.030 0.000 0.290 172 A C -0.098 177.465 177.584 -0.035 0.000 1.206 172 A CA -0.326 51.686 52.037 -0.042 0.000 0.850 172 A CB 0.091 19.078 19.000 -0.021 0.000 1.118 172 A HN 0.721 nan 8.150 nan 0.000 0.523 173 Q N 1.126 120.902 119.800 -0.040 0.000 2.345 173 Q HA 0.365 4.723 4.340 0.030 0.000 0.275 173 Q C -0.822 175.161 176.000 -0.029 0.000 1.063 173 Q CA -0.766 55.018 55.803 -0.032 0.000 0.819 173 Q CB 2.018 30.734 28.738 -0.037 0.000 1.356 173 Q HN 0.823 nan 8.270 nan 0.000 0.418 174 Q N 1.456 121.243 119.800 -0.021 0.000 2.407 174 Q HA -0.357 4.001 4.340 0.030 0.000 0.277 174 Q C -0.529 175.457 176.000 -0.022 0.000 1.161 174 Q CA 1.072 56.863 55.803 -0.019 0.000 0.924 174 Q CB -1.445 27.281 28.738 -0.020 0.000 1.318 174 Q HN 0.789 nan 8.270 nan 0.000 0.513 175 N N -1.194 117.493 118.700 -0.021 0.000 2.800 175 N HA -0.221 4.537 4.740 0.030 0.000 0.250 175 N C -0.363 175.130 175.510 -0.029 0.000 1.078 175 N CA 1.447 54.485 53.050 -0.020 0.000 0.804 175 N CB -0.451 38.027 38.487 -0.016 0.000 1.135 175 N HN 0.667 nan 8.380 nan 0.000 0.565 176 R N -0.999 119.476 120.500 -0.041 0.000 2.673 176 R HA 0.471 4.828 4.340 0.030 0.000 0.281 176 R C -0.650 175.599 176.300 -0.086 0.000 0.991 176 R CA -0.632 55.432 56.100 -0.059 0.000 0.896 176 R CB 1.243 31.507 30.300 -0.060 0.000 1.201 176 R HN -0.144 nan 8.270 nan 0.000 0.457 177 V N 3.467 123.292 119.914 -0.148 0.000 2.434 177 V HA 0.031 4.169 4.120 0.030 0.000 0.281 177 V C 0.242 176.261 176.094 -0.125 0.000 1.005 177 V CA 0.172 62.324 62.300 -0.247 0.000 1.089 177 V CB 0.660 32.069 31.823 -0.689 0.000 0.978 177 V HN 0.457 nan 8.190 nan 0.000 0.474 178 V N 4.706 124.545 119.914 -0.126 0.000 2.617 178 V HA 0.719 4.857 4.120 0.030 0.000 0.298 178 V C 0.789 176.697 176.094 -0.310 0.000 1.048 178 V CA -0.259 61.954 62.300 -0.144 0.000 0.964 178 V CB 1.770 33.531 31.823 -0.103 0.000 1.004 178 V HN 0.895 nan 8.190 nan 0.000 0.466 179 G N 1.977 110.436 108.800 -0.568 0.000 2.415 179 G HA2 0.680 4.658 3.960 0.030 0.000 0.327 179 G HA3 0.680 4.658 3.960 0.030 0.000 0.327 179 G C -0.704 174.012 174.900 -0.305 0.000 1.182 179 G CA -0.375 44.370 45.100 -0.592 0.000 0.924 179 G HN 1.115 nan 8.290 nan 0.000 0.470 180 A N 2.949 125.652 122.820 -0.195 0.000 2.311 180 A HA 0.790 5.128 4.320 0.030 0.000 0.306 180 A C -0.154 177.370 177.584 -0.100 0.000 1.189 180 A CA -0.548 51.410 52.037 -0.132 0.000 0.791 180 A CB 0.889 19.837 19.000 -0.087 0.000 1.172 180 A HN 0.651 nan 8.150 nan 0.000 0.481 181 M N 1.535 121.064 119.600 -0.118 0.000 2.528 181 M HA 0.469 4.967 4.480 0.030 0.000 0.321 181 M C -0.372 175.867 176.300 -0.103 0.000 1.153 181 M CA -0.378 54.872 55.300 -0.083 0.000 0.951 181 M CB 2.325 34.867 32.600 -0.096 0.000 1.705 181 M HN 0.795 nan 8.290 nan 0.000 0.451 182 Q N 2.686 122.464 119.800 -0.037 0.000 2.325 182 Q HA 0.566 4.923 4.340 0.030 0.000 0.270 182 Q C -2.038 173.918 176.000 -0.073 0.000 1.020 182 Q CA -0.778 54.992 55.803 -0.055 0.000 0.785 182 Q CB 1.882 30.659 28.738 0.066 0.000 1.259 182 Q HN 0.681 nan 8.270 nan 0.000 0.452 183 L N 5.437 126.583 121.223 -0.130 0.000 2.295 183 L HA 0.415 4.773 4.340 0.030 0.000 0.281 183 L C -1.899 174.910 176.870 -0.101 0.000 1.018 183 L CA -0.461 54.299 54.840 -0.134 0.000 0.841 183 L CB 0.853 42.770 42.059 -0.235 0.000 1.218 183 L HN 0.648 nan 8.230 nan 0.000 0.424 184 Y N 3.526 123.618 120.300 -0.347 0.000 2.330 184 Y HA 0.552 5.132 4.550 0.050 0.000 0.336 184 Y C -0.030 175.627 175.900 -0.405 0.000 1.036 184 Y CA -0.325 57.485 58.100 -0.483 0.000 1.125 184 Y CB 1.665 39.457 38.460 -1.114 0.000 1.194 184 Y HN 0.640 nan 8.280 nan 0.000 0.469 185 S N 5.548 120.506 115.700 -1.236 0.000 2.423 185 S HA 0.271 4.759 4.470 0.030 0.000 0.317 185 S C 0.610 174.342 174.600 -1.446 0.000 1.065 185 S CA -0.663 56.689 58.200 -1.414 0.000 1.111 185 S CB 0.302 62.821 63.200 -1.135 0.000 0.968 185 S HN 0.730 nan 8.310 nan 0.000 0.474 186 V N 4.581 123.847 119.914 -1.081 0.000 2.453 186 V HA -0.135 4.003 4.120 0.030 0.000 0.252 186 V C 1.944 177.792 176.094 -0.410 0.000 1.068 186 V CA 2.025 64.003 62.300 -0.537 0.000 1.070 186 V CB -0.414 31.263 31.823 -0.243 0.000 0.664 186 V HN 0.748 nan 8.190 nan 0.000 0.461 187 D N 0.173 120.279 120.400 -0.490 0.000 2.183 187 D HA -0.060 4.598 4.640 0.030 0.000 0.205 187 D C 2.131 178.284 176.300 -0.245 0.000 0.962 187 D CA 0.971 54.794 54.000 -0.295 0.000 0.849 187 D CB -0.106 40.547 40.800 -0.246 0.000 0.978 187 D HN 0.576 nan 8.370 nan 0.000 0.488 188 R N 0.781 121.087 120.500 -0.324 0.000 2.427 188 R HA 0.224 4.581 4.340 0.030 0.000 0.262 188 R C 0.094 176.277 176.300 -0.195 0.000 0.943 188 R CA -0.300 55.677 56.100 -0.206 0.000 1.081 188 R CB -0.148 30.060 30.300 -0.154 0.000 1.166 188 R HN -0.205 nan 8.270 nan 0.000 0.534 189 K N 0.750 120.999 120.400 -0.251 0.000 3.356 189 K HA -0.171 4.167 4.320 0.030 0.000 0.270 189 K C -0.979 175.603 176.600 -0.029 0.000 0.901 189 K CA 0.639 56.872 56.287 -0.091 0.000 0.688 189 K CB -1.170 31.348 32.500 0.029 0.000 1.460 189 K HN 0.169 nan 8.250 nan 0.000 0.458 190 V N 0.088 119.889 119.914 -0.188 0.000 3.007 190 V HA 0.517 4.655 4.120 0.030 0.000 0.311 190 V C -0.425 175.629 176.094 -0.067 0.000 1.120 190 V CA -0.590 61.678 62.300 -0.054 0.000 0.980 190 V CB 2.262 34.046 31.823 -0.064 0.000 1.033 190 V HN 0.376 nan 8.190 nan 0.000 0.429 191 S N 2.620 118.361 115.700 0.069 0.000 2.547 191 S HA 0.743 5.230 4.470 0.030 0.000 0.281 191 S C -1.164 173.453 174.600 0.028 0.000 1.118 191 S CA -0.693 57.542 58.200 0.059 0.000 0.947 191 S CB 2.012 65.311 63.200 0.164 0.000 1.053 191 S HN 0.791 nan 8.310 nan 0.000 0.482 192 Q N 2.632 122.409 119.800 -0.038 0.000 2.293 192 Q HA 0.686 5.044 4.340 0.030 0.000 0.261 192 Q C -2.942 172.951 176.000 -0.179 0.000 0.960 192 Q CA -1.760 53.995 55.803 -0.079 0.000 0.882 192 Q CB 1.629 30.333 28.738 -0.057 0.000 1.275 192 Q HN 0.477 nan 8.270 nan 0.000 0.445 193 P HA 0.411 nan 4.420 nan 0.000 0.284 193 P C -0.978 176.186 177.300 -0.227 0.000 1.253 193 P CA -0.136 62.757 63.100 -0.346 0.000 0.800 193 P CB 0.846 32.267 31.700 -0.466 0.000 0.961 194 I N 0.600 121.032 120.570 -0.230 0.000 2.692 194 I HA 0.231 4.419 4.170 0.030 0.000 0.293 194 I C -0.077 175.904 176.117 -0.227 0.000 1.200 194 I CA -0.820 60.330 61.300 -0.250 0.000 1.036 194 I CB 2.599 40.372 38.000 -0.378 0.000 1.258 194 I HN 0.261 nan 8.210 nan 0.000 0.421 195 E N 4.225 124.323 120.200 -0.171 0.000 2.180 195 E HA 0.612 4.980 4.350 0.030 0.000 0.283 195 E C -0.461 176.087 176.600 -0.087 0.000 1.061 195 E CA -0.222 56.106 56.400 -0.119 0.000 0.861 195 E CB 1.100 30.772 29.700 -0.048 0.000 1.056 195 E HN 0.817 nan 8.360 nan 0.000 0.407 196 G N 3.163 111.884 108.800 -0.131 0.000 2.632 196 G HA2 0.147 4.125 3.960 0.030 0.000 0.292 196 G HA3 0.147 4.125 3.960 0.030 0.000 0.292 196 G C -0.515 174.324 174.900 -0.100 0.000 1.465 196 G CA -0.502 44.606 45.100 0.014 0.000 0.824 196 G HN 0.621 nan 8.290 nan 0.000 0.509 197 H N -0.015 119.152 119.070 0.162 0.000 2.481 197 H HA 0.513 5.088 4.556 0.031 0.000 0.291 197 H C 1.114 176.546 175.328 0.172 0.000 1.009 197 H CA 1.067 57.218 56.048 0.171 0.000 1.282 197 H CB 1.431 31.358 29.762 0.276 0.000 1.457 197 H HN 0.714 nan 8.280 nan 0.000 0.525 198 A N 0.510 123.507 122.820 0.296 0.000 2.539 198 A HA 0.765 5.102 4.320 0.030 0.000 0.296 198 A C -1.114 176.555 177.584 0.142 0.000 1.073 198 A CA 0.159 52.314 52.037 0.196 0.000 0.700 198 A CB 2.011 21.112 19.000 0.169 0.000 1.296 198 A HN 0.387 nan 8.150 nan 0.000 0.405 199 A N -0.201 122.673 122.820 0.090 0.000 2.467 199 A HA 0.975 5.312 4.320 0.030 0.000 0.301 199 A C -0.473 177.105 177.584 -0.010 0.000 1.126 199 A CA 0.223 52.247 52.037 -0.021 0.000 0.632 199 A CB 0.539 19.495 19.000 -0.073 0.000 1.331 199 A HN 2.516 nan 8.150 nan 0.000 0.482 200 S N -1.522 114.101 115.700 -0.128 0.000 2.611 200 S HA 0.714 5.202 4.470 0.030 0.000 0.270 200 S C -1.813 172.712 174.600 -0.125 0.000 1.131 200 S CA -0.515 57.677 58.200 -0.013 0.000 0.826 200 S CB 0.404 63.642 63.200 0.063 0.000 1.095 200 S HN 1.025 nan 8.310 nan 0.000 0.461 201 F N 1.378 121.423 119.950 0.159 0.000 2.509 201 F HA 0.933 5.477 4.527 0.028 0.000 0.334 201 F C 0.695 176.542 175.800 0.079 0.000 1.060 201 F CA 0.232 58.319 58.000 0.146 0.000 0.997 201 F CB 2.044 41.138 39.000 0.157 0.000 1.271 201 F HN 0.902 nan 8.300 nan 0.000 0.488 202 A N 0.775 123.755 122.820 0.268 0.000 2.594 202 A HA 0.550 4.888 4.320 0.030 0.000 0.296 202 A C -1.784 175.880 177.584 0.134 0.000 1.056 202 A CA -0.926 51.208 52.037 0.162 0.000 0.693 202 A CB 1.411 20.472 19.000 0.102 0.000 1.278 202 A HN 0.470 nan 8.150 nan 0.000 0.408 203 Q N 0.443 120.321 119.800 0.129 0.000 2.235 203 Q HA 0.677 5.035 4.340 0.030 0.000 0.250 203 Q C -1.547 174.558 176.000 0.175 0.000 0.909 203 Q CA 0.042 55.913 55.803 0.114 0.000 0.910 203 Q CB 1.700 30.486 28.738 0.079 0.000 1.223 203 Q HN 0.653 nan 8.270 nan 0.000 0.432 204 F N 1.444 121.376 119.950 -0.031 0.000 2.588 204 F HA 0.276 4.820 4.527 0.029 0.000 0.318 204 F C -0.694 175.112 175.800 0.011 0.000 1.155 204 F CA -1.022 56.964 58.000 -0.023 0.000 0.967 204 F CB 1.508 40.451 39.000 -0.094 0.000 1.236 204 F HN 0.233 nan 8.300 nan 0.000 0.455 205 K N 7.323 127.332 120.400 -0.653 0.000 2.180 205 K HA 0.365 4.703 4.320 0.030 0.000 0.250 205 K C -0.584 175.746 176.600 -0.451 0.000 1.135 205 K CA -0.134 55.906 56.287 -0.412 0.000 1.037 205 K CB -0.108 32.214 32.500 -0.296 0.000 1.624 205 K HN 0.719 nan 8.250 nan 0.000 0.382 206 M N 3.223 122.767 119.600 -0.094 0.000 2.284 206 M HA -0.007 4.490 4.480 0.030 0.000 0.351 206 M C 0.356 176.683 176.300 0.045 0.000 1.443 206 M CA 0.533 55.915 55.300 0.137 0.000 1.031 206 M CB 0.390 33.171 32.600 0.302 0.000 1.893 206 M HN 0.372 nan 8.290 nan 0.000 0.456 207 E N 2.128 122.359 120.200 0.052 0.000 2.608 207 E HA -0.029 4.339 4.350 0.030 0.000 0.259 207 E C 1.083 177.707 176.600 0.040 0.000 0.951 207 E CA 1.248 57.666 56.400 0.030 0.000 0.945 207 E CB 0.352 30.079 29.700 0.044 0.000 0.916 207 E HN 1.002 nan 8.360 nan 0.000 0.477 208 G N 3.573 112.387 108.800 0.024 0.000 2.157 208 G HA2 -0.288 3.689 3.960 0.030 0.000 0.248 208 G HA3 -0.288 3.689 3.960 0.030 0.000 0.248 208 G C 0.150 175.069 174.900 0.031 0.000 0.979 208 G CA 0.190 45.306 45.100 0.027 0.000 0.650 208 G HN 0.557 nan 8.290 nan 0.000 0.529 209 N N -0.355 118.362 118.700 0.030 0.000 2.314 209 N HA 0.622 5.379 4.740 0.030 0.000 0.304 209 N C 0.982 176.502 175.510 0.017 0.000 1.073 209 N CA -0.122 52.948 53.050 0.034 0.000 0.822 209 N CB 1.533 40.052 38.487 0.054 0.000 1.280 209 N HN 0.248 nan 8.380 nan 0.000 0.489 210 A N 1.276 124.107 122.820 0.019 0.000 2.095 210 A HA 0.091 4.429 4.320 0.030 0.000 0.212 210 A C 0.328 177.919 177.584 0.011 0.000 1.162 210 A CA 0.935 52.978 52.037 0.011 0.000 0.753 210 A CB 0.240 19.249 19.000 0.014 0.000 0.840 210 A HN 0.549 nan 8.150 nan 0.000 0.468 211 E N 0.529 120.741 120.200 0.019 0.000 2.244 211 E HA 0.396 4.764 4.350 0.030 0.000 0.266 211 E C -0.675 175.938 176.600 0.021 0.000 0.914 211 E CA -0.542 55.870 56.400 0.021 0.000 0.794 211 E CB 0.957 30.677 29.700 0.032 0.000 1.210 211 E HN 0.459 nan 8.360 nan 0.000 0.414 212 E N 0.465 120.676 120.200 0.017 0.000 2.416 212 E HA 0.270 4.638 4.350 0.030 0.000 0.254 212 E C -0.396 176.233 176.600 0.049 0.000 1.241 212 E CA 0.081 56.491 56.400 0.017 0.000 0.969 212 E CB 0.572 30.282 29.700 0.017 0.000 0.999 212 E HN 0.190 nan 8.360 nan 0.000 0.481 213 S N -0.079 115.661 115.700 0.066 0.000 2.526 213 S HA 0.290 4.778 4.470 0.030 0.000 0.293 213 S C -0.815 173.807 174.600 0.036 0.000 1.092 213 S CA -0.771 57.467 58.200 0.064 0.000 0.980 213 S CB 1.980 65.239 63.200 0.098 0.000 1.048 213 S HN 0.333 nan 8.310 nan 0.000 0.483 214 T N 3.542 118.103 114.554 0.011 0.000 2.733 214 T HA 0.465 4.833 4.350 0.030 0.000 0.294 214 T C -0.320 174.361 174.700 -0.032 0.000 0.956 214 T CA -0.280 61.828 62.100 0.012 0.000 0.987 214 T CB -0.108 68.761 68.868 0.002 0.000 0.920 214 T HN 0.323 nan 8.240 nan 0.000 0.470 215 L N 3.352 124.572 121.223 -0.005 0.000 2.331 215 L HA 0.667 5.025 4.340 0.030 0.000 0.275 215 L C -0.685 176.250 176.870 0.107 0.000 1.022 215 L CA -1.101 53.688 54.840 -0.086 0.000 0.812 215 L CB 1.359 43.230 42.059 -0.314 0.000 1.257 215 L HN 0.521 nan 8.230 nan 0.000 0.435 216 F N 2.794 122.646 119.950 -0.163 0.000 2.477 216 F HA 0.500 5.047 4.527 0.032 0.000 0.335 216 F C -0.686 175.004 175.800 -0.184 0.000 1.130 216 F CA -1.251 56.544 58.000 -0.342 0.000 0.948 216 F CB 1.325 40.123 39.000 -0.337 0.000 1.154 216 F HN 0.423 nan 8.300 nan 0.000 0.439 217 C N 9.317 128.164 119.300 -0.755 0.000 2.364 217 C HA 0.835 5.313 4.460 0.030 0.000 0.324 217 C C -1.133 173.493 174.990 -0.606 0.000 1.234 217 C CA -0.698 57.974 59.018 -0.576 0.000 1.417 217 C CB -0.864 26.680 27.740 -0.328 0.000 2.101 217 C HN 0.770 nan 8.230 nan 0.000 0.466 218 F N 4.167 123.727 119.950 -0.650 0.000 2.588 218 F HA 0.925 5.472 4.527 0.033 0.000 0.314 218 F C -0.368 175.334 175.800 -0.163 0.000 1.069 218 F CA -0.748 57.004 58.000 -0.414 0.000 0.931 218 F CB 1.332 40.077 39.000 -0.426 0.000 1.260 218 F HN 0.767 nan 8.300 nan 0.000 0.465 219 A N 2.267 125.102 122.820 0.026 0.000 2.355 219 A HA 0.836 5.174 4.320 0.030 0.000 0.317 219 A C -1.689 176.058 177.584 0.270 0.000 1.094 219 A CA -0.883 51.158 52.037 0.007 0.000 0.764 219 A CB 1.737 20.722 19.000 -0.025 0.000 1.230 219 A HN 1.480 nan 8.150 nan 0.000 0.448 220 V N 2.375 122.462 119.914 0.288 0.000 2.932 220 V HA 0.653 4.791 4.120 0.030 0.000 0.307 220 V C -0.798 175.494 176.094 0.329 0.000 1.147 220 V CA -0.723 61.843 62.300 0.445 0.000 0.951 220 V CB 2.008 34.098 31.823 0.444 0.000 1.031 220 V HN 0.981 nan 8.190 nan 0.000 0.426 221 R N 4.284 124.953 120.500 0.281 0.000 2.346 221 R HA 0.613 4.971 4.340 0.030 0.000 0.309 221 R C 0.362 176.719 176.300 0.094 0.000 1.119 221 R CA 0.402 56.519 56.100 0.028 0.000 1.112 221 R CB 0.773 30.845 30.300 -0.381 0.000 1.132 221 R HN 0.984 nan 8.270 nan 0.000 0.538 222 G N 1.080 109.942 108.800 0.103 0.000 2.714 222 G HA2 -0.059 3.919 3.960 0.030 0.000 0.197 222 G HA3 -0.059 3.919 3.960 0.030 0.000 0.197 222 G C 0.253 175.169 174.900 0.026 0.000 1.449 222 G CA -0.179 44.969 45.100 0.081 0.000 1.065 222 G HN 0.500 nan 8.290 nan 0.000 0.575 223 Q N -0.817 119.000 119.800 0.027 0.000 2.137 223 Q HA 0.218 4.576 4.340 0.030 0.000 0.198 223 Q C 2.264 178.271 176.000 0.012 0.000 0.960 223 Q CA 1.406 57.215 55.803 0.009 0.000 0.847 223 Q CB -0.296 28.449 28.738 0.012 0.000 0.915 223 Q HN 0.483 nan 8.270 nan 0.000 0.448 224 A N -0.365 122.473 122.820 0.031 0.000 2.346 224 A HA 0.521 4.859 4.320 0.030 0.000 0.242 224 A C 0.839 178.446 177.584 0.038 0.000 1.323 224 A CA 0.591 52.649 52.037 0.035 0.000 0.940 224 A CB -1.222 17.807 19.000 0.049 0.000 0.943 224 A HN 0.418 nan 8.150 nan 0.000 0.501 225 G N -1.054 107.757 108.800 0.019 0.000 2.645 225 G HA2 0.177 4.155 3.960 0.030 0.000 0.239 225 G HA3 0.177 4.155 3.960 0.030 0.000 0.239 225 G C 0.483 175.423 174.900 0.066 0.000 1.331 225 G CA -0.303 44.805 45.100 0.012 0.000 0.890 225 G HN 1.514 nan 8.290 nan 0.000 0.572 226 G N -0.288 108.604 108.800 0.153 0.000 2.442 226 G HA2 0.556 4.534 3.960 0.030 0.000 0.249 226 G HA3 0.556 4.534 3.960 0.030 0.000 0.249 226 G C -0.227 174.767 174.900 0.157 0.000 1.263 226 G CA 0.466 45.733 45.100 0.279 0.000 0.846 226 G HN 0.619 nan 8.290 nan 0.000 0.555 227 K N 0.202 120.661 120.400 0.098 0.000 2.555 227 K HA 0.504 4.841 4.320 0.030 0.000 0.279 227 K C -1.604 174.865 176.600 -0.219 0.000 0.986 227 K CA -0.754 55.485 56.287 -0.081 0.000 0.880 227 K CB 2.576 35.030 32.500 -0.077 0.000 1.474 227 K HN 0.447 nan 8.250 nan 0.000 0.433 228 L N 1.429 122.358 121.223 -0.491 0.000 2.470 228 L HA 0.487 4.845 4.340 0.030 0.000 0.268 228 L C -1.201 175.180 176.870 -0.814 0.000 0.964 228 L CA -0.398 54.084 54.840 -0.598 0.000 0.839 228 L CB 1.457 43.123 42.059 -0.656 0.000 1.276 228 L HN 0.590 nan 8.230 nan 0.000 0.403 229 H N 5.609 124.203 119.070 -0.793 0.000 2.621 229 H HA 0.608 5.183 4.556 0.030 0.000 0.360 229 H C -1.046 173.991 175.328 -0.485 0.000 1.163 229 H CA -0.712 54.954 56.048 -0.638 0.000 1.194 229 H CB 2.726 31.991 29.762 -0.829 0.000 1.649 229 H HN 0.476 nan 8.280 nan 0.000 0.532 230 I N 3.894 124.397 120.570 -0.112 0.000 2.531 230 I HA 0.246 4.433 4.170 0.030 0.000 0.283 230 I C -0.293 175.907 176.117 0.139 0.000 1.083 230 I CA -0.381 60.891 61.300 -0.046 0.000 1.071 230 I CB 1.585 39.590 38.000 0.009 0.000 1.210 230 I HN 0.399 nan 8.210 nan 0.000 0.450 231 I N 1.879 122.509 120.570 0.098 0.000 2.892 231 I HA 0.611 4.799 4.170 0.030 0.000 0.306 231 I C -0.706 175.457 176.117 0.077 0.000 1.078 231 I CA -0.648 60.758 61.300 0.177 0.000 1.032 231 I CB 2.414 40.525 38.000 0.184 0.000 1.229 231 I HN 0.520 nan 8.210 nan 0.000 0.435 232 E N 3.822 124.087 120.200 0.108 0.000 2.200 232 E HA 0.439 4.807 4.350 0.030 0.000 0.283 232 E C -0.969 175.576 176.600 -0.092 0.000 1.015 232 E CA -0.860 55.536 56.400 -0.006 0.000 0.819 232 E CB 1.618 31.376 29.700 0.096 0.000 1.081 232 E HN 0.619 nan 8.360 nan 0.000 0.397 233 V N 2.137 121.890 119.914 -0.269 0.000 2.407 233 V HA 0.857 4.994 4.120 0.030 0.000 0.278 233 V C 0.463 176.150 176.094 -0.679 0.000 1.037 233 V CA 0.339 62.233 62.300 -0.676 0.000 0.900 233 V CB 0.374 31.448 31.823 -1.248 0.000 0.983 233 V HN 0.951 nan 8.190 nan 0.000 0.459 234 G N 3.583 112.157 108.800 -0.377 0.000 2.756 234 G HA2 -0.103 3.875 3.960 0.030 0.000 0.678 234 G HA3 -0.103 3.875 3.960 0.030 0.000 0.678 234 G C -0.254 174.709 174.900 0.104 0.000 1.349 234 G CA -0.436 44.758 45.100 0.156 0.000 0.847 234 G HN 1.309 nan 8.290 nan 0.000 0.548 235 T N 3.132 117.777 114.554 0.151 0.000 2.888 235 T HA 0.454 4.822 4.350 0.030 0.000 0.301 235 T C -1.722 173.031 174.700 0.089 0.000 1.001 235 T CA 0.240 62.401 62.100 0.100 0.000 1.147 235 T CB 0.834 69.756 68.868 0.091 0.000 0.931 235 T HN 0.556 nan 8.240 nan 0.000 0.541 236 P HA 0.245 nan 4.420 nan 0.000 0.271 236 P C -2.389 174.952 177.300 0.069 0.000 1.216 236 P CA -1.289 61.855 63.100 0.074 0.000 0.776 236 P CB -0.252 31.495 31.700 0.079 0.000 0.881 237 P HA -0.045 nan 4.420 nan 0.000 0.261 237 P C -0.271 177.058 177.300 0.049 0.000 1.173 237 P CA 0.576 63.711 63.100 0.057 0.000 0.760 237 P CB -0.113 31.619 31.700 0.053 0.000 0.783 238 T N 3.294 117.874 114.554 0.043 0.000 2.819 238 T HA 0.187 4.555 4.350 0.030 0.000 0.282 238 T C 1.503 176.224 174.700 0.035 0.000 1.013 238 T CA 1.718 63.840 62.100 0.037 0.000 1.159 238 T CB -0.505 68.382 68.868 0.031 0.000 1.007 238 T HN 0.843 nan 8.240 nan 0.000 0.514 239 G N 3.621 112.442 108.800 0.035 0.000 2.213 239 G HA2 -0.236 3.741 3.960 0.030 0.000 0.236 239 G HA3 -0.236 3.741 3.960 0.030 0.000 0.236 239 G C 0.180 175.103 174.900 0.038 0.000 0.991 239 G CA -0.065 45.054 45.100 0.032 0.000 0.629 239 G HN 0.705 nan 8.290 nan 0.000 0.517 240 N N 0.195 118.922 118.700 0.046 0.000 2.434 240 N HA 0.447 5.204 4.740 0.030 0.000 0.266 240 N C -0.301 175.247 175.510 0.062 0.000 1.223 240 N CA -0.508 52.576 53.050 0.056 0.000 0.972 240 N CB 0.377 38.904 38.487 0.067 0.000 1.207 240 N HN 0.085 nan 8.380 nan 0.000 0.525 241 Q N 1.374 121.219 119.800 0.075 0.000 2.245 241 Q HA 0.381 4.739 4.340 0.030 0.000 0.256 241 Q C -2.221 173.842 176.000 0.104 0.000 0.942 241 Q CA -1.677 54.172 55.803 0.076 0.000 0.896 241 Q CB 1.531 30.312 28.738 0.073 0.000 1.272 241 Q HN 0.428 nan 8.270 nan 0.000 0.442 242 P HA 0.062 nan 4.420 nan 0.000 0.272 242 P C -0.779 176.621 177.300 0.166 0.000 1.223 242 P CA -0.181 62.991 63.100 0.119 0.000 0.784 242 P CB 0.455 32.203 31.700 0.080 0.000 0.923 243 F N 3.598 123.575 119.950 0.044 0.000 2.404 243 F HA 0.396 4.941 4.527 0.030 0.000 0.358 243 F C -2.136 173.675 175.800 0.018 0.000 1.120 243 F CA -2.732 55.295 58.000 0.044 0.000 1.144 243 F CB 0.537 39.567 39.000 0.050 0.000 1.133 243 F HN 0.143 nan 8.300 nan 0.000 0.495 244 P HA -0.027 nan 4.420 nan 0.000 0.262 244 P C -1.218 175.896 177.300 -0.309 0.000 1.199 244 P CA -0.025 62.886 63.100 -0.314 0.000 0.763 244 P CB 0.232 31.720 31.700 -0.355 0.000 0.790 245 K N 2.527 122.902 120.400 -0.041 0.000 2.448 245 K HA 0.232 4.570 4.320 0.030 0.000 0.278 245 K C -0.385 176.203 176.600 -0.020 0.000 1.009 245 K CA -0.123 56.202 56.287 0.063 0.000 0.995 245 K CB 0.499 33.057 32.500 0.096 0.000 0.917 245 K HN 0.185 nan 8.250 nan 0.000 0.481 246 K N 1.142 121.548 120.400 0.009 0.000 2.316 246 K HA 0.593 4.931 4.320 0.030 0.000 0.251 246 K C -1.378 175.160 176.600 -0.105 0.000 0.934 246 K CA -0.620 55.630 56.287 -0.061 0.000 0.802 246 K CB 2.347 34.801 32.500 -0.078 0.000 1.171 246 K HN 0.778 nan 8.250 nan 0.000 0.426 247 A N 1.404 124.131 122.820 -0.155 0.000 2.449 247 A HA 0.812 5.149 4.320 0.030 0.000 0.302 247 A C -1.297 176.141 177.584 -0.244 0.000 1.048 247 A CA -0.777 51.066 52.037 -0.323 0.000 0.708 247 A CB 1.258 20.088 19.000 -0.284 0.000 1.274 247 A HN 0.621 nan 8.150 nan 0.000 0.410 248 V N -0.486 119.250 119.914 -0.297 0.000 2.924 248 V HA 0.670 4.808 4.120 0.030 0.000 0.300 248 V C -1.418 174.597 176.094 -0.132 0.000 1.227 248 V CA -1.082 61.129 62.300 -0.148 0.000 0.954 248 V CB 1.669 33.456 31.823 -0.061 0.000 1.055 248 V HN 0.985 nan 8.190 nan 0.000 0.429 249 D N 2.740 123.121 120.400 -0.033 0.000 2.302 249 D HA 0.438 5.096 4.640 0.030 0.000 0.248 249 D C 0.237 176.601 176.300 0.107 0.000 1.094 249 D CA -0.343 53.670 54.000 0.021 0.000 0.897 249 D CB 1.922 42.756 40.800 0.057 0.000 1.200 249 D HN 1.020 nan 8.370 nan 0.000 0.429 250 V N 2.818 122.810 119.914 0.129 0.000 2.432 250 V HA 0.410 4.548 4.120 0.030 0.000 0.275 250 V C -0.641 175.533 176.094 0.134 0.000 1.043 250 V CA -0.964 61.457 62.300 0.201 0.000 0.925 250 V CB 0.273 32.197 31.823 0.169 0.000 0.985 250 V HN 0.520 nan 8.190 nan 0.000 0.466 251 F N 7.327 127.219 119.950 -0.096 0.000 2.496 251 F HA 0.597 5.142 4.527 0.030 0.000 0.344 251 F C -0.616 174.944 175.800 -0.399 0.000 1.155 251 F CA -0.418 57.488 58.000 -0.157 0.000 1.302 251 F CB 0.648 39.516 39.000 -0.220 0.000 1.159 251 F HN 0.542 nan 8.300 nan 0.000 0.595 252 F N 5.101 124.276 119.950 -1.292 0.000 2.915 252 F HA 0.295 4.840 4.527 0.029 0.000 0.350 252 F C -2.225 172.790 175.800 -1.309 0.000 1.248 252 F CA -1.669 55.749 58.000 -0.970 0.000 1.084 252 F CB 1.209 39.917 39.000 -0.485 0.000 1.391 252 F HN 0.299 nan 8.300 nan 0.000 0.548 253 P HA 0.149 nan 4.420 nan 0.000 0.272 253 P C -2.422 174.776 177.300 -0.171 0.000 1.223 253 P CA -1.195 61.706 63.100 -0.331 0.000 0.784 253 P CB 1.009 32.724 31.700 0.025 0.000 0.923 254 P HA -0.223 nan 4.420 nan 0.000 0.217 254 P C 1.150 178.429 177.300 -0.036 0.000 1.151 254 P CA 1.766 64.844 63.100 -0.036 0.000 0.849 254 P CB -0.026 31.679 31.700 0.008 0.000 0.787 255 E N -0.011 120.183 120.200 -0.010 0.000 2.110 255 E HA -0.070 4.297 4.350 0.030 0.000 0.193 255 E C 1.345 177.922 176.600 -0.039 0.000 0.988 255 E CA 1.063 57.461 56.400 -0.003 0.000 0.804 255 E CB -1.194 28.535 29.700 0.048 0.000 0.745 255 E HN 0.158 nan 8.360 nan 0.000 0.458 256 A N 1.630 124.413 122.820 -0.061 0.000 3.063 256 A HA 0.053 4.391 4.320 0.030 0.000 0.263 256 A C 0.913 178.431 177.584 -0.109 0.000 1.736 256 A CA -0.148 51.832 52.037 -0.095 0.000 1.408 256 A CB -0.486 18.416 19.000 -0.164 0.000 1.108 256 A HN 0.148 nan 8.150 nan 0.000 0.621 257 Q N 0.904 120.634 119.800 -0.117 0.000 1.967 257 Q HA -0.199 4.159 4.340 0.030 0.000 0.202 257 Q C 0.604 176.529 176.000 -0.124 0.000 0.985 257 Q CA 1.964 57.700 55.803 -0.111 0.000 0.839 257 Q CB -0.173 28.513 28.738 -0.086 0.000 0.906 257 Q HN 0.952 nan 8.270 nan 0.000 0.423 258 N N 0.491 119.132 118.700 -0.097 0.000 2.376 258 N HA 0.108 4.866 4.740 0.030 0.000 0.249 258 N C -1.248 174.339 175.510 0.127 0.000 1.140 258 N CA -0.124 52.915 53.050 -0.019 0.000 0.870 258 N CB 0.382 38.887 38.487 0.030 0.000 1.124 258 N HN 0.076 nan 8.380 nan 0.000 0.505 259 D N 0.554 120.985 120.400 0.051 0.000 2.312 259 D HA 0.479 5.137 4.640 0.030 0.000 0.248 259 D C -0.577 175.820 176.300 0.162 0.000 1.086 259 D CA -0.444 53.705 54.000 0.249 0.000 0.948 259 D CB 0.687 41.651 40.800 0.273 0.000 1.162 259 D HN 0.207 nan 8.370 nan 0.000 0.446 260 F N -1.459 118.543 119.950 0.088 0.000 2.713 260 F HA 0.568 5.112 4.527 0.029 0.000 0.311 260 F C -2.921 172.916 175.800 0.062 0.000 1.141 260 F CA -2.520 55.410 58.000 -0.117 0.000 0.939 260 F CB 0.435 39.124 39.000 -0.518 0.000 1.325 260 F HN 0.050 nan 8.300 nan 0.000 0.453 261 P HA 0.054 nan 4.420 nan 0.000 0.261 261 P C 0.194 177.554 177.300 0.100 0.000 1.183 261 P CA 0.438 63.609 63.100 0.119 0.000 0.761 261 P CB 1.313 33.135 31.700 0.203 0.000 0.785 262 V N 3.079 122.975 119.914 -0.031 0.000 3.473 262 V HA 0.523 4.661 4.120 0.030 0.000 0.253 262 V C 0.241 176.371 176.094 0.060 0.000 1.340 262 V CA 1.105 63.399 62.300 -0.010 0.000 1.103 262 V CB 0.389 32.094 31.823 -0.195 0.000 0.881 262 V HN 0.607 nan 8.190 nan 0.000 0.451 263 A N 0.457 123.306 122.820 0.048 0.000 2.594 263 A HA 0.870 5.208 4.320 0.030 0.000 0.291 263 A C -1.121 176.513 177.584 0.082 0.000 1.105 263 A CA -0.439 51.644 52.037 0.077 0.000 0.694 263 A CB 1.984 21.021 19.000 0.061 0.000 1.291 263 A HN 0.234 nan 8.150 nan 0.000 0.410 264 M N 1.424 121.083 119.600 0.099 0.000 2.274 264 M HA 0.366 4.863 4.480 0.030 0.000 0.272 264 M C -2.097 174.278 176.300 0.125 0.000 1.053 264 M CA -0.366 55.000 55.300 0.109 0.000 0.978 264 M CB 1.853 34.495 32.600 0.070 0.000 1.836 264 M HN 0.763 nan 8.290 nan 0.000 0.484 265 Q N 4.303 124.204 119.800 0.169 0.000 2.387 265 Q HA 0.686 5.044 4.340 0.030 0.000 0.273 265 Q C -1.266 174.887 176.000 0.254 0.000 1.089 265 Q CA -0.506 55.393 55.803 0.160 0.000 0.824 265 Q CB 3.126 31.909 28.738 0.074 0.000 1.367 265 Q HN 0.834 nan 8.270 nan 0.000 0.443 266 I N 0.688 121.381 120.570 0.205 0.000 2.447 266 I HA 0.198 4.386 4.170 0.030 0.000 0.287 266 I C -0.119 176.124 176.117 0.210 0.000 1.023 266 I CA -0.643 60.791 61.300 0.223 0.000 1.083 266 I CB 2.134 40.216 38.000 0.137 0.000 1.245 266 I HN 0.379 nan 8.210 nan 0.000 0.434 267 S N 4.278 120.146 115.700 0.280 0.000 2.411 267 S HA 0.141 4.629 4.470 0.030 0.000 0.304 267 S C 0.896 175.570 174.600 0.123 0.000 1.098 267 S CA -0.341 57.968 58.200 0.182 0.000 1.068 267 S CB 0.371 63.722 63.200 0.251 0.000 1.032 267 S HN 0.605 nan 8.310 nan 0.000 0.511 268 E N 3.645 123.897 120.200 0.086 0.000 2.338 268 E HA -0.061 4.307 4.350 0.030 0.000 0.197 268 E C 1.767 178.408 176.600 0.068 0.000 1.007 268 E CA 0.858 57.316 56.400 0.097 0.000 0.849 268 E CB 0.096 29.840 29.700 0.073 0.000 0.774 268 E HN 0.747 nan 8.360 nan 0.000 0.506 269 K N -0.935 119.456 120.400 -0.014 0.000 2.167 269 K HA -0.082 4.256 4.320 0.030 0.000 0.203 269 K C 0.904 177.562 176.600 0.098 0.000 1.052 269 K CA 1.222 57.473 56.287 -0.061 0.000 0.956 269 K CB 0.071 32.401 32.500 -0.282 0.000 0.735 269 K HN 0.358 nan 8.250 nan 0.000 0.451 270 H N -0.974 118.171 119.070 0.124 0.000 3.046 270 H HA 0.129 4.703 4.556 0.030 0.000 0.262 270 H C -0.667 174.738 175.328 0.128 0.000 1.044 270 H CA -0.262 55.855 56.048 0.114 0.000 1.209 270 H CB 0.928 30.758 29.762 0.114 0.000 1.507 270 H HN 0.163 nan 8.280 nan 0.000 0.507 271 D N 1.439 121.994 120.400 0.258 0.000 2.705 271 D HA -0.130 4.527 4.640 0.030 0.000 0.240 271 D C -0.816 175.576 176.300 0.153 0.000 1.137 271 D CA 0.405 54.550 54.000 0.243 0.000 0.677 271 D CB -1.232 39.790 40.800 0.369 0.000 1.049 271 D HN 0.125 nan 8.370 nan 0.000 0.427 272 V N 0.046 120.041 119.914 0.135 0.000 2.914 272 V HA 0.548 4.686 4.120 0.030 0.000 0.314 272 V C 0.358 176.450 176.094 -0.003 0.000 1.084 272 V CA -0.858 61.451 62.300 0.015 0.000 0.963 272 V CB 2.748 34.525 31.823 -0.076 0.000 1.025 272 V HN -0.024 nan 8.190 nan 0.000 0.432 273 V N 4.032 123.913 119.914 -0.055 0.000 2.357 273 V HA 0.469 4.607 4.120 0.030 0.000 0.284 273 V C -0.748 175.346 176.094 -0.000 0.000 1.018 273 V CA -0.480 61.843 62.300 0.038 0.000 0.841 273 V CB 1.079 32.931 31.823 0.048 0.000 0.991 273 V HN 0.622 nan 8.190 nan 0.000 0.437 274 F N 5.527 125.552 119.950 0.125 0.000 2.411 274 F HA 0.611 5.155 4.527 0.029 0.000 0.350 274 F C -0.080 175.781 175.800 0.102 0.000 1.114 274 F CA -0.589 57.487 58.000 0.126 0.000 1.135 274 F CB 1.342 40.399 39.000 0.094 0.000 1.120 274 F HN 0.317 nan 8.300 nan 0.000 0.495 275 L N 5.787 127.162 121.223 0.253 0.000 2.372 275 L HA 0.630 4.987 4.340 0.030 0.000 0.274 275 L C -1.093 175.794 176.870 0.028 0.000 0.988 275 L CA -0.406 54.502 54.840 0.112 0.000 0.833 275 L CB 0.966 43.067 42.059 0.069 0.000 1.236 275 L HN 0.479 nan 8.230 nan 0.000 0.410 276 I N 3.878 124.460 120.570 0.021 0.000 2.404 276 I HA 0.453 4.641 4.170 0.030 0.000 0.293 276 I C 0.497 176.580 176.117 -0.057 0.000 0.992 276 I CA -0.584 60.713 61.300 -0.005 0.000 1.149 276 I CB 2.183 40.200 38.000 0.027 0.000 1.315 276 I HN 0.710 nan 8.210 nan 0.000 0.446 277 T N 1.223 115.743 114.554 -0.057 0.000 2.862 277 T HA 0.238 4.606 4.350 0.030 0.000 0.276 277 T C 0.973 175.599 174.700 -0.124 0.000 0.974 277 T CA -0.608 61.453 62.100 -0.064 0.000 0.966 277 T CB 1.588 70.493 68.868 0.062 0.000 1.072 277 T HN 0.705 nan 8.240 nan 0.000 0.538 278 K N -0.405 119.789 120.400 -0.343 0.000 2.152 278 K HA -0.108 4.230 4.320 0.030 0.000 0.206 278 K C 0.370 176.720 176.600 -0.416 0.000 1.048 278 K CA 1.372 57.354 56.287 -0.509 0.000 0.933 278 K CB -0.276 31.650 32.500 -0.955 0.000 0.721 278 K HN 0.728 nan 8.250 nan 0.000 0.447 279 Y N -0.105 120.195 120.300 -0.000 0.000 2.811 279 Y HA 0.268 4.836 4.550 0.030 0.000 0.330 279 Y C 0.908 176.834 175.900 0.042 0.000 1.081 279 Y CA 0.069 58.215 58.100 0.078 0.000 1.408 279 Y CB 0.830 39.387 38.460 0.161 0.000 1.235 279 Y HN 0.299 nan 8.280 nan 0.000 0.529 280 G N -1.080 107.758 108.800 0.064 0.000 2.157 280 G HA2 -0.319 3.659 3.960 0.030 0.000 0.248 280 G HA3 -0.319 3.659 3.960 0.030 0.000 0.248 280 G C -0.360 174.471 174.900 -0.115 0.000 0.979 280 G CA -0.474 44.600 45.100 -0.043 0.000 0.650 280 G HN 0.341 nan 8.290 nan 0.000 0.529 281 Y N -0.607 119.719 120.300 0.044 0.000 2.313 281 Y HA 0.668 5.236 4.550 0.029 0.000 0.332 281 Y C 0.530 176.455 175.900 0.042 0.000 1.071 281 Y CA -1.089 57.046 58.100 0.059 0.000 1.169 281 Y CB 1.319 39.830 38.460 0.086 0.000 1.192 281 Y HN 0.200 nan 8.280 nan 0.000 0.487 282 I N 3.876 124.595 120.570 0.249 0.000 2.441 282 I HA 0.395 4.582 4.170 0.030 0.000 0.295 282 I C -0.945 175.401 176.117 0.382 0.000 0.994 282 I CA -0.735 60.709 61.300 0.240 0.000 1.144 282 I CB 0.704 38.842 38.000 0.230 0.000 1.314 282 I HN 0.635 nan 8.210 nan 0.000 0.445 283 H N 6.833 125.944 119.070 0.069 0.000 2.690 283 H HA 0.540 5.114 4.556 0.030 0.000 0.368 283 H C -1.274 174.006 175.328 -0.080 0.000 1.150 283 H CA -1.276 54.740 56.048 -0.054 0.000 1.174 283 H CB 2.127 31.926 29.762 0.061 0.000 1.684 283 H HN 0.293 nan 8.280 nan 0.000 0.538 284 L N 3.507 124.623 121.223 -0.178 0.000 2.333 284 L HA 0.384 4.742 4.340 0.030 0.000 0.280 284 L C -1.219 175.409 176.870 -0.402 0.000 1.004 284 L CA -0.438 54.259 54.840 -0.238 0.000 0.820 284 L CB 0.976 42.926 42.059 -0.182 0.000 1.247 284 L HN 0.678 nan 8.230 nan 0.000 0.416 285 Y N 0.421 120.650 120.300 -0.120 0.000 2.553 285 Y HA 0.255 4.823 4.550 0.030 0.000 0.347 285 Y C 0.005 175.850 175.900 -0.090 0.000 1.019 285 Y CA -1.173 56.877 58.100 -0.083 0.000 1.032 285 Y CB 1.751 40.168 38.460 -0.072 0.000 1.284 285 Y HN 0.499 nan 8.280 nan 0.000 0.466 286 D N 1.529 121.989 120.400 0.100 0.000 2.312 286 D HA 0.085 4.743 4.640 0.030 0.000 0.252 286 D C 0.671 176.985 176.300 0.022 0.000 1.150 286 D CA -0.135 53.891 54.000 0.043 0.000 0.870 286 D CB 1.325 42.145 40.800 0.032 0.000 1.153 286 D HN 0.543 nan 8.370 nan 0.000 0.457 287 L N 3.990 125.202 121.223 -0.018 0.000 2.131 287 L HA -0.055 4.303 4.340 0.030 0.000 0.210 287 L C 1.804 178.561 176.870 -0.188 0.000 1.092 287 L CA 1.822 56.597 54.840 -0.109 0.000 0.759 287 L CB -0.454 41.527 42.059 -0.130 0.000 0.903 287 L HN 0.713 nan 8.230 nan 0.000 0.435 288 E N -1.395 118.686 120.200 -0.198 0.000 2.076 288 E HA -0.164 4.204 4.350 0.030 0.000 0.190 288 E C 1.682 178.260 176.600 -0.036 0.000 0.979 288 E CA 1.504 57.801 56.400 -0.172 0.000 0.807 288 E CB 0.026 29.694 29.700 -0.053 0.000 0.761 288 E HN 0.661 nan 8.360 nan 0.000 0.454 289 T N -4.554 109.986 114.554 -0.024 0.000 2.969 289 T HA 0.320 4.688 4.350 0.030 0.000 0.250 289 T C 1.446 176.133 174.700 -0.021 0.000 1.021 289 T CA 0.550 62.629 62.100 -0.036 0.000 1.003 289 T CB 0.856 69.713 68.868 -0.018 0.000 1.040 289 T HN 0.303 nan 8.240 nan 0.000 0.492 290 G N 1.471 110.277 108.800 0.011 0.000 2.159 290 G HA2 -0.241 3.737 3.960 0.030 0.000 0.256 290 G HA3 -0.241 3.737 3.960 0.030 0.000 0.256 290 G C 0.162 175.146 174.900 0.140 0.000 0.977 290 G CA 0.169 45.289 45.100 0.034 0.000 0.652 290 G HN 0.720 nan 8.290 nan 0.000 0.531 291 T N 0.850 115.454 114.554 0.083 0.000 2.784 291 T HA 0.293 4.661 4.350 0.030 0.000 0.291 291 T C 0.941 175.658 174.700 0.028 0.000 0.942 291 T CA 0.522 62.655 62.100 0.056 0.000 1.161 291 T CB 1.051 69.926 68.868 0.011 0.000 0.885 291 T HN 0.729 nan 8.240 nan 0.000 0.534 292 C N 6.824 126.097 119.300 -0.045 0.000 2.667 292 C HA 0.222 4.700 4.460 0.030 0.000 0.385 292 C C 1.877 176.716 174.990 -0.252 0.000 1.299 292 C CA -0.685 58.098 59.018 -0.392 0.000 1.554 292 C CB -2.566 24.906 27.740 -0.446 0.000 2.275 292 C HN 0.930 nan 8.230 nan 0.000 0.588 293 I N 4.034 124.474 120.570 -0.217 0.000 2.133 293 I HA 0.008 4.196 4.170 0.030 0.000 0.238 293 I C 0.630 176.776 176.117 0.049 0.000 1.074 293 I CA 1.334 62.602 61.300 -0.053 0.000 1.342 293 I CB -0.322 37.647 38.000 -0.052 0.000 1.053 293 I HN 0.702 nan 8.210 nan 0.000 0.404 294 Y N 0.531 120.699 120.300 -0.219 0.000 2.638 294 Y HA 0.624 5.192 4.550 0.029 0.000 0.339 294 Y C -0.799 174.963 175.900 -0.229 0.000 1.084 294 Y CA -1.865 56.122 58.100 -0.189 0.000 1.068 294 Y CB 1.779 40.080 38.460 -0.265 0.000 1.294 294 Y HN 0.068 nan 8.280 nan 0.000 0.480 295 M N 4.464 123.446 119.600 -1.029 0.000 2.333 295 M HA 0.483 4.981 4.480 0.030 0.000 0.286 295 M C -2.381 173.416 176.300 -0.839 0.000 1.113 295 M CA -0.063 54.777 55.300 -0.767 0.000 0.959 295 M CB 1.916 34.136 32.600 -0.634 0.000 1.776 295 M HN 0.800 nan 8.290 nan 0.000 0.492 296 N N 1.379 119.823 118.700 -0.426 0.000 3.356 296 N HA 0.429 5.187 4.740 0.030 0.000 0.246 296 N C -1.951 173.525 175.510 -0.056 0.000 1.480 296 N CA -0.897 52.020 53.050 -0.223 0.000 0.877 296 N CB 1.729 40.056 38.487 -0.265 0.000 1.431 296 N HN 0.910 nan 8.380 nan 0.000 0.500 297 R N 1.830 122.251 120.500 -0.132 0.000 2.295 297 R HA 0.406 4.763 4.340 0.030 0.000 0.324 297 R C 0.840 177.025 176.300 -0.192 0.000 0.968 297 R CA -0.253 55.676 56.100 -0.285 0.000 0.837 297 R CB 0.439 30.430 30.300 -0.514 0.000 1.133 297 R HN 0.549 nan 8.270 nan 0.000 0.450 298 I N -0.568 119.926 120.570 -0.127 0.000 4.018 298 I HA 0.333 4.521 4.170 0.030 0.000 0.337 298 I C -0.108 175.981 176.117 -0.046 0.000 1.327 298 I CA -0.173 61.064 61.300 -0.105 0.000 1.100 298 I CB 0.973 39.066 38.000 0.155 0.000 1.025 298 I HN 0.260 nan 8.210 nan 0.000 0.396 299 S N 0.219 115.873 115.700 -0.077 0.000 2.592 299 S HA 0.565 5.053 4.470 0.030 0.000 0.275 299 S C 0.532 175.097 174.600 -0.058 0.000 1.169 299 S CA -0.101 58.082 58.200 -0.027 0.000 0.958 299 S CB 1.509 64.722 63.200 0.021 0.000 1.095 299 S HN 0.351 nan 8.310 nan 0.000 0.471 300 G N 2.280 111.062 108.800 -0.029 0.000 2.453 300 G HA2 0.093 4.071 3.960 0.030 0.000 0.215 300 G HA3 0.093 4.071 3.960 0.030 0.000 0.215 300 G C 0.315 175.244 174.900 0.048 0.000 1.147 300 G CA 0.343 45.440 45.100 -0.005 0.000 0.802 300 G HN 0.605 nan 8.290 nan 0.000 0.535 301 E N 1.475 121.701 120.200 0.043 0.000 2.331 301 E HA 0.241 4.609 4.350 0.030 0.000 0.272 301 E C 0.426 177.041 176.600 0.025 0.000 1.036 301 E CA -0.132 56.301 56.400 0.056 0.000 0.864 301 E CB 1.127 30.863 29.700 0.059 0.000 1.035 301 E HN 0.253 nan 8.360 nan 0.000 0.408 302 T N 0.102 114.652 114.554 -0.006 0.000 2.855 302 T HA 0.285 4.653 4.350 0.030 0.000 0.314 302 T C 0.815 175.489 174.700 -0.044 0.000 1.077 302 T CA -0.227 61.801 62.100 -0.121 0.000 1.095 302 T CB 0.395 69.106 68.868 -0.261 0.000 0.987 302 T HN 0.292 nan 8.240 nan 0.000 0.546 303 I N 2.675 123.191 120.570 -0.091 0.000 2.389 303 I HA 0.311 4.499 4.170 0.030 0.000 0.288 303 I C 0.228 176.314 176.117 -0.052 0.000 0.999 303 I CA -0.919 60.314 61.300 -0.112 0.000 1.129 303 I CB 1.553 39.483 38.000 -0.117 0.000 1.288 303 I HN 0.859 nan 8.210 nan 0.000 0.444 304 F N 5.861 125.818 119.950 0.012 0.000 2.706 304 F HA 0.556 5.101 4.527 0.029 0.000 0.308 304 F C -0.205 175.691 175.800 0.160 0.000 1.095 304 F CA -0.489 57.549 58.000 0.064 0.000 1.244 304 F CB 0.171 39.249 39.000 0.130 0.000 1.063 304 F HN 0.145 nan 8.300 nan 0.000 0.582 305 V N 1.194 120.979 119.914 -0.215 0.000 2.969 305 V HA 0.729 4.867 4.120 0.030 0.000 0.304 305 V C -0.998 175.040 176.094 -0.093 0.000 1.192 305 V CA 0.398 62.702 62.300 0.007 0.000 0.962 305 V CB 2.021 33.916 31.823 0.120 0.000 1.045 305 V HN 0.538 nan 8.190 nan 0.000 0.428 306 T N 2.900 117.462 114.554 0.014 0.000 2.816 306 T HA 0.986 5.354 4.350 0.030 0.000 0.299 306 T C -0.633 174.082 174.700 0.025 0.000 1.230 306 T CA -0.223 61.863 62.100 -0.024 0.000 1.007 306 T CB 1.856 70.708 68.868 -0.027 0.000 1.289 306 T HN 2.244 nan 8.240 nan 0.000 0.508 307 A N 1.375 124.190 122.820 -0.008 0.000 2.604 307 A HA 0.871 5.208 4.320 0.030 0.000 0.295 307 A C -3.193 174.385 177.584 -0.010 0.000 1.067 307 A CA -1.686 50.362 52.037 0.019 0.000 0.683 307 A CB 1.169 20.183 19.000 0.025 0.000 1.281 307 A HN 0.747 nan 8.150 nan 0.000 0.407 308 P HA 0.068 nan 4.420 nan 0.000 0.268 308 P C -0.830 176.470 177.300 0.001 0.000 1.204 308 P CA 0.557 63.647 63.100 -0.017 0.000 0.768 308 P CB 0.278 31.980 31.700 0.004 0.000 0.842 309 H N 3.767 122.745 119.070 -0.153 0.000 2.908 309 H HA 0.067 4.640 4.556 0.029 0.000 0.269 309 H C 1.330 176.597 175.328 -0.103 0.000 1.303 309 H CA -0.010 55.953 56.048 -0.140 0.000 1.341 309 H CB 0.070 29.727 29.762 -0.174 0.000 1.519 309 H HN 0.301 nan 8.280 nan 0.000 0.505 310 E N 3.526 123.598 120.200 -0.213 0.000 2.068 310 E HA -0.332 4.035 4.350 0.030 0.000 0.207 310 E C 2.080 178.528 176.600 -0.253 0.000 1.032 310 E CA 1.597 57.877 56.400 -0.200 0.000 0.839 310 E CB -0.707 28.896 29.700 -0.161 0.000 0.758 310 E HN 0.734 nan 8.360 nan 0.000 0.457 311 A N 1.279 123.859 122.820 -0.401 0.000 1.859 311 A HA -0.235 4.102 4.320 0.030 0.000 0.218 311 A C 2.500 179.970 177.584 -0.189 0.000 1.209 311 A CA 3.526 55.385 52.037 -0.297 0.000 0.639 311 A CB -1.284 17.509 19.000 -0.345 0.000 0.835 311 A HN 0.472 nan 8.150 nan 0.000 0.450 312 T N -4.284 110.161 114.554 -0.181 0.000 3.148 312 T HA 0.415 4.783 4.350 0.030 0.000 0.253 312 T C 0.973 175.661 174.700 -0.020 0.000 1.134 312 T CA 1.142 63.240 62.100 -0.004 0.000 1.051 312 T CB -0.157 68.802 68.868 0.151 0.000 0.959 312 T HN 2.012 nan 8.240 nan 0.000 0.525 313 A N -0.452 122.314 122.820 -0.090 0.000 2.899 313 A HA 0.009 4.347 4.320 0.030 0.000 0.257 313 A C 1.085 178.616 177.584 -0.088 0.000 1.335 313 A CA 1.147 53.117 52.037 -0.113 0.000 0.924 313 A CB -2.199 16.663 19.000 -0.230 0.000 1.105 313 A HN 1.132 nan 8.150 nan 0.000 0.765 314 G N -1.391 107.341 108.800 -0.113 0.000 2.945 314 G HA2 0.669 4.646 3.960 0.030 0.000 0.156 314 G HA3 0.669 4.646 3.960 0.030 0.000 0.156 314 G C 0.039 174.632 174.900 -0.512 0.000 1.375 314 G CA -0.010 44.834 45.100 -0.428 0.000 1.039 314 G HN 1.361 nan 8.290 nan 0.000 0.586 315 I N -0.610 119.599 120.570 -0.603 0.000 2.619 315 I HA 0.704 4.891 4.170 0.030 0.000 0.292 315 I C -1.773 174.153 176.117 -0.318 0.000 1.100 315 I CA -1.083 59.981 61.300 -0.393 0.000 1.043 315 I CB 2.117 39.860 38.000 -0.427 0.000 1.239 315 I HN 0.404 nan 8.210 nan 0.000 0.420 316 I N 6.516 126.934 120.570 -0.253 0.000 2.545 316 I HA 0.842 5.030 4.170 0.030 0.000 0.292 316 I C -0.540 175.433 176.117 -0.242 0.000 1.040 316 I CA -0.154 60.937 61.300 -0.349 0.000 1.068 316 I CB 1.788 39.536 38.000 -0.421 0.000 1.251 316 I HN 0.711 nan 8.210 nan 0.000 0.424 317 G N 5.595 114.238 108.800 -0.262 0.000 2.684 317 G HA2 0.637 4.615 3.960 0.030 0.000 0.290 317 G HA3 0.637 4.615 3.960 0.030 0.000 0.290 317 G C -1.913 172.831 174.900 -0.261 0.000 1.425 317 G CA -0.527 44.438 45.100 -0.226 0.000 0.822 317 G HN 0.462 nan 8.290 nan 0.000 0.482 318 V N 1.265 120.969 119.914 -0.350 0.000 2.769 318 V HA 0.661 4.799 4.120 0.030 0.000 0.312 318 V C -0.502 175.285 176.094 -0.512 0.000 1.058 318 V CA -1.011 61.070 62.300 -0.366 0.000 0.952 318 V CB 1.794 33.413 31.823 -0.340 0.000 1.019 318 V HN 0.994 nan 8.190 nan 0.000 0.445 319 N N 2.192 120.744 118.700 -0.247 0.000 2.405 319 N HA 0.388 5.146 4.740 0.030 0.000 0.285 319 N C 0.510 176.096 175.510 0.127 0.000 1.262 319 N CA -1.065 51.920 53.050 -0.108 0.000 0.773 319 N CB 1.427 39.888 38.487 -0.043 0.000 1.490 319 N HN 0.401 nan 8.380 nan 0.000 0.486 320 R N -0.063 120.583 120.500 0.244 0.000 2.204 320 R HA -0.220 4.138 4.340 0.030 0.000 0.253 320 R C 1.336 177.734 176.300 0.163 0.000 1.172 320 R CA 1.938 58.190 56.100 0.253 0.000 0.994 320 R CB -0.157 30.246 30.300 0.172 0.000 0.874 320 R HN 0.695 nan 8.270 nan 0.000 0.462 321 K N -0.436 120.032 120.400 0.113 0.000 2.366 321 K HA -0.067 4.271 4.320 0.030 0.000 0.198 321 K C 0.747 177.398 176.600 0.084 0.000 1.044 321 K CA 1.156 57.495 56.287 0.086 0.000 0.973 321 K CB 0.344 32.884 32.500 0.066 0.000 0.767 321 K HN 0.282 nan 8.250 nan 0.000 0.475 322 G N 1.063 109.919 108.800 0.095 0.000 2.140 322 G HA2 -0.267 3.711 3.960 0.030 0.000 0.211 322 G HA3 -0.267 3.711 3.960 0.030 0.000 0.211 322 G C -0.542 174.385 174.900 0.045 0.000 1.013 322 G CA 0.164 45.313 45.100 0.083 0.000 0.705 322 G HN 0.447 nan 8.290 nan 0.000 0.508 323 Q N 0.400 120.218 119.800 0.029 0.000 2.340 323 Q HA 0.554 4.912 4.340 0.030 0.000 0.259 323 Q C 0.020 175.999 176.000 -0.035 0.000 0.964 323 Q CA -0.667 55.145 55.803 0.015 0.000 0.900 323 Q CB 1.399 30.162 28.738 0.040 0.000 1.228 323 Q HN 0.202 nan 8.270 nan 0.000 0.449 324 V N 6.554 126.436 119.914 -0.053 0.000 2.389 324 V HA 0.265 4.403 4.120 0.030 0.000 0.264 324 V C 0.040 176.019 176.094 -0.191 0.000 1.049 324 V CA -0.179 62.039 62.300 -0.137 0.000 0.932 324 V CB 0.287 32.031 31.823 -0.132 0.000 1.011 324 V HN 0.697 nan 8.190 nan 0.000 0.475 325 L N 4.701 125.771 121.223 -0.256 0.000 2.330 325 L HA 0.851 5.209 4.340 0.030 0.000 0.271 325 L C 0.103 176.691 176.870 -0.469 0.000 1.013 325 L CA -0.332 54.302 54.840 -0.344 0.000 0.816 325 L CB 2.298 44.248 42.059 -0.181 0.000 1.287 325 L HN 0.740 nan 8.230 nan 0.000 0.435 326 S N 0.729 116.103 115.700 -0.543 0.000 2.564 326 S HA 0.849 5.337 4.470 0.030 0.000 0.274 326 S C -1.203 173.194 174.600 -0.339 0.000 1.124 326 S CA -0.701 57.202 58.200 -0.495 0.000 0.869 326 S CB 2.339 65.146 63.200 -0.654 0.000 1.105 326 S HN 0.272 nan 8.310 nan 0.000 0.472 327 V N 1.575 121.362 119.914 -0.212 0.000 2.777 327 V HA 0.709 4.847 4.120 0.030 0.000 0.306 327 V C -0.032 176.037 176.094 -0.043 0.000 1.112 327 V CA -0.377 61.913 62.300 -0.017 0.000 0.917 327 V CB 1.274 33.195 31.823 0.164 0.000 1.018 327 V HN 1.530 nan 8.190 nan 0.000 0.426 328 C N 2.836 122.219 119.300 0.138 0.000 3.321 328 C HA 0.861 5.339 4.460 0.030 0.000 0.363 328 C C -0.255 174.975 174.990 0.400 0.000 1.705 328 C CA -0.915 58.258 59.018 0.257 0.000 1.298 328 C CB 1.370 29.206 27.740 0.161 0.000 2.086 328 C HN 0.533 nan 8.230 nan 0.000 0.438 329 V N 1.962 122.141 119.914 0.443 0.000 2.432 329 V HA 0.292 4.430 4.120 0.030 0.000 0.271 329 V C 0.420 176.572 176.094 0.096 0.000 1.046 329 V CA 0.633 63.067 62.300 0.223 0.000 0.945 329 V CB 0.882 32.784 31.823 0.132 0.000 0.992 329 V HN 0.904 nan 8.190 nan 0.000 0.471 330 E N 3.605 123.808 120.200 0.005 0.000 1.858 330 E HA 0.006 4.373 4.350 0.030 0.000 0.278 330 E C 1.202 177.773 176.600 -0.049 0.000 1.172 330 E CA 0.289 56.677 56.400 -0.019 0.000 1.127 330 E CB -0.091 29.573 29.700 -0.061 0.000 1.084 330 E HN 0.669 nan 8.360 nan 0.000 0.455 331 E N 2.191 122.368 120.200 -0.039 0.000 2.233 331 E HA -0.255 4.112 4.350 0.030 0.000 0.199 331 E C 0.938 177.511 176.600 -0.045 0.000 1.004 331 E CA 1.475 57.831 56.400 -0.073 0.000 0.819 331 E CB 0.321 30.011 29.700 -0.016 0.000 0.738 331 E HN 0.485 nan 8.360 nan 0.000 0.478 332 E N -0.215 119.970 120.200 -0.025 0.000 2.216 332 E HA -0.079 4.289 4.350 0.030 0.000 0.192 332 E C 1.073 177.662 176.600 -0.019 0.000 0.988 332 E CA 0.711 57.101 56.400 -0.017 0.000 0.834 332 E CB 0.034 29.729 29.700 -0.009 0.000 0.772 332 E HN 0.377 nan 8.360 nan 0.000 0.479 333 N N 0.188 118.872 118.700 -0.028 0.000 2.210 333 N HA 0.092 4.850 4.740 0.030 0.000 0.203 333 N C 1.812 177.318 175.510 -0.007 0.000 1.175 333 N CA -0.153 52.889 53.050 -0.013 0.000 0.894 333 N CB 0.384 38.865 38.487 -0.010 0.000 1.041 333 N HN 0.063 nan 8.380 nan 0.000 0.506 334 I N 1.618 122.159 120.570 -0.048 0.000 2.113 334 I HA -0.322 3.866 4.170 0.030 0.000 0.242 334 I C 1.492 177.622 176.117 0.022 0.000 1.057 334 I CA 1.428 62.700 61.300 -0.046 0.000 1.314 334 I CB 0.081 38.020 38.000 -0.102 0.000 1.022 334 I HN -0.081 nan 8.210 nan 0.000 0.408 335 I N 1.190 121.760 120.570 0.000 0.000 2.099 335 I HA -0.211 3.977 4.170 0.030 0.000 0.239 335 I C -0.088 176.045 176.117 0.028 0.000 1.066 335 I CA 2.029 63.336 61.300 0.011 0.000 1.324 335 I CB -3.205 34.793 38.000 -0.003 0.000 1.037 335 I HN 0.182 nan 8.210 nan 0.000 0.401 336 P HA -0.230 nan 4.420 nan 0.000 0.216 336 P C 1.947 179.265 177.300 0.031 0.000 1.154 336 P CA 1.595 64.706 63.100 0.019 0.000 0.865 336 P CB -0.235 31.477 31.700 0.020 0.000 0.789 337 Y N -0.068 120.198 120.300 -0.057 0.000 2.145 337 Y HA -0.177 4.391 4.550 0.030 0.000 0.286 337 Y C 2.141 178.011 175.900 -0.051 0.000 1.145 337 Y CA 1.480 59.543 58.100 -0.062 0.000 1.148 337 Y CB -0.820 37.585 38.460 -0.092 0.000 0.981 337 Y HN -0.186 nan 8.280 nan 0.000 0.507 338 I N -0.573 120.080 120.570 0.139 0.000 2.179 338 I HA -0.356 3.832 4.170 0.030 0.000 0.242 338 I C 2.143 178.225 176.117 -0.058 0.000 1.088 338 I CA 1.859 63.188 61.300 0.048 0.000 1.357 338 I CB -0.701 37.338 38.000 0.064 0.000 1.051 338 I HN 0.292 nan 8.210 nan 0.000 0.409 339 T N 0.884 115.411 114.554 -0.045 0.000 2.614 339 T HA -0.123 4.245 4.350 0.030 0.000 0.263 339 T C 1.678 176.322 174.700 -0.094 0.000 1.055 339 T CA 1.526 63.592 62.100 -0.056 0.000 1.162 339 T CB -0.360 68.487 68.868 -0.035 0.000 0.863 339 T HN 0.293 nan 8.240 nan 0.000 0.414 340 N N 1.040 119.671 118.700 -0.114 0.000 2.081 340 N HA -0.021 4.736 4.740 0.030 0.000 0.191 340 N C 2.201 177.585 175.510 -0.211 0.000 1.053 340 N CA 0.883 53.852 53.050 -0.134 0.000 0.846 340 N CB -1.064 37.359 38.487 -0.108 0.000 1.032 340 N HN 0.143 nan 8.380 nan 0.000 0.431 341 V N 1.953 121.649 119.914 -0.364 0.000 2.255 341 V HA -0.164 3.974 4.120 0.030 0.000 0.247 341 V C 2.399 178.249 176.094 -0.407 0.000 1.051 341 V CA 1.414 63.409 62.300 -0.509 0.000 1.018 341 V CB -0.584 30.552 31.823 -1.145 0.000 0.641 341 V HN 0.224 nan 8.190 nan 0.000 0.445 342 L N -1.094 119.883 121.223 -0.411 0.000 2.478 342 L HA 0.011 4.369 4.340 0.030 0.000 0.223 342 L C 1.189 177.979 176.870 -0.134 0.000 1.140 342 L CA 0.449 55.164 54.840 -0.208 0.000 0.842 342 L CB -0.274 41.717 42.059 -0.113 0.000 0.953 342 L HN 0.465 nan 8.230 nan 0.000 0.452 343 Q N 0.828 120.546 119.800 -0.135 0.000 2.439 343 Q HA -0.259 4.099 4.340 0.030 0.000 0.325 343 Q C -0.191 175.769 176.000 -0.067 0.000 1.372 343 Q CA 0.412 56.160 55.803 -0.092 0.000 0.909 343 Q CB -1.263 27.425 28.738 -0.084 0.000 1.167 343 Q HN 0.274 nan 8.270 nan 0.000 0.418 344 N N -0.570 118.095 118.700 -0.059 0.000 2.790 344 N HA 0.240 4.998 4.740 0.030 0.000 0.256 344 N C -2.396 173.097 175.510 -0.028 0.000 1.409 344 N CA -1.923 51.104 53.050 -0.039 0.000 0.799 344 N CB 1.194 39.662 38.487 -0.032 0.000 1.170 344 N HN -0.066 nan 8.380 nan 0.000 0.507 345 P HA -0.083 nan 4.420 nan 0.000 0.215 345 P C 0.781 178.074 177.300 -0.011 0.000 1.157 345 P CA 1.095 64.184 63.100 -0.020 0.000 0.868 345 P CB 0.524 32.211 31.700 -0.020 0.000 0.788 346 D N -0.429 119.965 120.400 -0.010 0.000 2.087 346 D HA -0.174 4.483 4.640 0.030 0.000 0.192 346 D C 1.985 178.288 176.300 0.004 0.000 0.993 346 D CA 1.125 55.123 54.000 -0.003 0.000 0.828 346 D CB -0.861 39.936 40.800 -0.005 0.000 0.968 346 D HN 0.016 nan 8.370 nan 0.000 0.448 347 L N 1.534 122.758 121.223 0.002 0.000 1.956 347 L HA -0.218 4.140 4.340 0.030 0.000 0.216 347 L C 2.439 179.318 176.870 0.014 0.000 1.073 347 L CA 2.328 57.174 54.840 0.010 0.000 0.762 347 L CB -1.066 40.997 42.059 0.006 0.000 0.889 347 L HN 0.026 nan 8.230 nan 0.000 0.433 348 A N -0.694 122.130 122.820 0.007 0.000 1.927 348 A HA -0.250 4.088 4.320 0.030 0.000 0.220 348 A C 2.318 179.907 177.584 0.008 0.000 1.185 348 A CA 2.193 54.235 52.037 0.007 0.000 0.639 348 A CB -1.100 17.900 19.000 -0.001 0.000 0.820 348 A HN 0.547 nan 8.150 nan 0.000 0.451 349 L N -0.934 120.293 121.223 0.007 0.000 2.056 349 L HA -0.142 4.216 4.340 0.030 0.000 0.207 349 L C 2.582 179.463 176.870 0.018 0.000 1.078 349 L CA 2.486 57.332 54.840 0.009 0.000 0.749 349 L CB -0.816 41.247 42.059 0.006 0.000 0.901 349 L HN 0.507 nan 8.230 nan 0.000 0.433 350 R N 0.133 120.648 120.500 0.025 0.000 2.062 350 R HA -0.187 4.171 4.340 0.030 0.000 0.231 350 R C 2.296 178.625 176.300 0.049 0.000 1.136 350 R CA 2.115 58.239 56.100 0.040 0.000 0.948 350 R CB -0.793 29.536 30.300 0.048 0.000 0.845 350 R HN 0.288 nan 8.270 nan 0.000 0.430 351 M N -0.242 119.385 119.600 0.044 0.000 2.080 351 M HA -0.161 4.336 4.480 0.030 0.000 0.260 351 M C 2.056 178.376 176.300 0.033 0.000 1.068 351 M CA 2.293 57.621 55.300 0.046 0.000 1.109 351 M CB -0.303 32.312 32.600 0.026 0.000 1.342 351 M HN 0.331 nan 8.290 nan 0.000 0.405 352 A N -0.717 122.114 122.820 0.019 0.000 1.892 352 A HA -0.177 4.161 4.320 0.030 0.000 0.218 352 A C 2.018 179.614 177.584 0.020 0.000 1.188 352 A CA 2.277 54.322 52.037 0.012 0.000 0.631 352 A CB -1.190 17.815 19.000 0.007 0.000 0.822 352 A HN 0.418 nan 8.150 nan 0.000 0.447 353 V N -0.597 119.332 119.914 0.025 0.000 2.488 353 V HA -0.153 3.985 4.120 0.030 0.000 0.246 353 V C 2.561 178.675 176.094 0.033 0.000 1.046 353 V CA 1.910 64.225 62.300 0.026 0.000 1.053 353 V CB -0.816 31.022 31.823 0.024 0.000 0.679 353 V HN 0.590 nan 8.190 nan 0.000 0.458 354 R N 1.008 121.536 120.500 0.047 0.000 2.070 354 R HA -0.139 4.219 4.340 0.030 0.000 0.232 354 R C 1.225 177.562 176.300 0.061 0.000 1.138 354 R CA 2.195 58.331 56.100 0.060 0.000 0.936 354 R CB -0.148 30.212 30.300 0.099 0.000 0.839 354 R HN 0.581 nan 8.270 nan 0.000 0.429 355 N N 0.435 119.180 118.700 0.075 0.000 2.320 355 N HA 0.117 4.875 4.740 0.030 0.000 0.237 355 N C -1.109 174.444 175.510 0.070 0.000 1.129 355 N CA -0.061 53.044 53.050 0.093 0.000 0.854 355 N CB 0.383 38.958 38.487 0.147 0.000 1.083 355 N HN 0.266 nan 8.380 nan 0.000 0.504 356 N N 0.074 118.801 118.700 0.045 0.000 2.707 356 N HA -0.208 4.550 4.740 0.030 0.000 0.253 356 N C -1.083 174.444 175.510 0.027 0.000 0.998 356 N CA 0.132 53.201 53.050 0.033 0.000 0.751 356 N CB -0.875 37.632 38.487 0.032 0.000 0.920 356 N HN 0.291 nan 8.380 nan 0.000 0.539 357 L N -0.091 121.143 121.223 0.017 0.000 2.416 357 L HA 0.791 5.149 4.340 0.030 0.000 0.263 357 L C 0.540 177.409 176.870 -0.003 0.000 1.065 357 L CA -0.674 54.165 54.840 -0.002 0.000 0.798 357 L CB 1.131 43.172 42.059 -0.030 0.000 1.267 357 L HN 0.190 nan 8.230 nan 0.000 0.467 358 A N 0.029 122.844 122.820 -0.009 0.000 2.340 358 A HA 0.830 5.168 4.320 0.030 0.000 0.297 358 A C -0.321 177.258 177.584 -0.008 0.000 1.195 358 A CA 0.017 52.050 52.037 -0.006 0.000 0.769 358 A CB 0.820 19.819 19.000 -0.002 0.000 1.163 358 A HN 0.723 nan 8.150 nan 0.000 0.472 359 G N 0.000 108.796 108.800 -0.006 0.000 5.446 359 G HA2 0.000 3.978 3.960 0.030 0.000 0.244 359 G HA3 0.000 3.978 3.960 0.030 0.000 0.244 359 G CA 0.000 45.097 45.100 -0.005 0.000 0.502 359 G HN 0.000 nan 8.290 nan 0.000 0.925