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 2zvi_1_C DATA FIRST_RESID 11 DATA SEQUENCE SELLATYLLT EPGADTEKKA EQIATGLTVX XXXXXXXVKQ EQMQKHKGRV DATA SEQUENCE IKVEERXXXX XXEKQAVITI AYPEINFSQD IPALLTTVFG KLSLDGKIKL DATA SEQUENCE IDLHFSEAFK RALPGPKFGV YGIRKLLGEF ERPLLMSIFK GVIGRDLSDI DATA SEQUENCE KEQLRQQALG GVDLIKDDEI FFETGLAPFE TRIAEGKQIL KETYEQTGHK DATA SEQUENCE TLYAVNLTGR TADLKDKARR AAELGADALL FNVFAYGLDV MQGLAEDPEI DATA SEQUENCE PVPIMAHPAV SGAFTSSPFY GFSHALLLGK LNRYCGADFS LFPSPYGSVA DATA SEQUENCE LPRADALAIH EECVREDAFN QTFAVPSAGI HPGMVPLLMR DFGIDHIINA DATA SEQUENCE GGGVHGHPNG AQGGGRAFRA IIDAVLEAQP IDEKAEQCKD LKLALDKWG 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 11 S HA 0.000 nan 4.470 nan 0.000 0.327 11 S C 0.000 174.632 174.600 0.053 0.000 1.055 11 S CA 0.000 58.221 58.200 0.036 0.000 1.107 11 S CB 0.000 63.220 63.200 0.034 0.000 0.593 12 E N 3.347 123.600 120.200 0.088 0.000 2.433 12 E HA 0.740 5.084 4.350 -0.009 0.000 0.278 12 E C -1.484 175.205 176.600 0.149 0.000 0.976 12 E CA -1.242 55.231 56.400 0.121 0.000 0.793 12 E CB 1.460 31.217 29.700 0.096 0.000 1.311 12 E HN 0.567 nan 8.360 nan 0.000 0.460 13 L N -0.824 120.506 121.223 0.179 0.000 2.386 13 L HA 0.583 4.918 4.340 -0.009 0.000 0.271 13 L C -1.344 175.610 176.870 0.140 0.000 0.993 13 L CA -0.907 53.996 54.840 0.104 0.000 0.819 13 L CB 1.437 43.451 42.059 -0.075 0.000 1.294 13 L HN 0.559 nan 8.230 nan 0.000 0.414 14 L N 3.460 124.753 121.223 0.117 0.000 2.312 14 L HA 0.874 5.209 4.340 -0.009 0.000 0.281 14 L C 0.312 177.227 176.870 0.075 0.000 1.070 14 L CA -0.728 54.192 54.840 0.134 0.000 0.805 14 L CB 1.461 43.602 42.059 0.137 0.000 1.174 14 L HN 0.935 nan 8.230 nan 0.000 0.434 15 A N 2.130 124.992 122.820 0.070 0.000 2.318 15 A HA 0.727 5.041 4.320 -0.009 0.000 0.317 15 A C -0.316 177.077 177.584 -0.318 0.000 1.159 15 A CA -0.411 51.508 52.037 -0.197 0.000 0.799 15 A CB 1.198 20.098 19.000 -0.168 0.000 1.194 15 A HN 0.642 nan 8.150 nan 0.000 0.479 16 T N 2.650 116.955 114.554 -0.415 0.000 2.797 16 T HA 0.605 4.949 4.350 -0.009 0.000 0.279 16 T C -1.116 173.314 174.700 -0.451 0.000 0.991 16 T CA 0.214 62.155 62.100 -0.264 0.000 0.979 16 T CB 0.250 69.073 68.868 -0.075 0.000 0.943 16 T HN 0.440 nan 8.240 nan 0.000 0.444 17 Y N 1.282 121.552 120.300 -0.050 0.000 2.562 17 Y HA 0.631 5.175 4.550 -0.010 0.000 0.343 17 Y C -0.184 175.685 175.900 -0.051 0.000 1.025 17 Y CA -1.417 56.634 58.100 -0.082 0.000 1.082 17 Y CB 1.462 39.894 38.460 -0.045 0.000 1.264 17 Y HN 0.397 nan 8.280 nan 0.000 0.478 18 L N 4.300 125.589 121.223 0.110 0.000 2.298 18 L HA 0.538 4.872 4.340 -0.009 0.000 0.284 18 L C -1.630 175.282 176.870 0.069 0.000 1.013 18 L CA -0.595 54.280 54.840 0.059 0.000 0.824 18 L CB 0.530 42.593 42.059 0.008 0.000 1.221 18 L HN 0.584 nan 8.230 nan 0.000 0.418 19 L N 4.683 125.941 121.223 0.058 0.000 2.287 19 L HA 0.433 4.767 4.340 -0.009 0.000 0.287 19 L C -0.121 176.767 176.870 0.030 0.000 1.022 19 L CA -0.469 54.391 54.840 0.034 0.000 0.814 19 L CB 1.589 43.657 42.059 0.015 0.000 1.217 19 L HN 0.530 nan 8.230 nan 0.000 0.420 20 T N 1.345 115.911 114.554 0.019 0.000 2.767 20 T HA 0.419 4.764 4.350 -0.009 0.000 0.288 20 T C 0.572 175.240 174.700 -0.053 0.000 0.963 20 T CA 0.294 62.401 62.100 0.011 0.000 1.019 20 T CB 1.336 70.224 68.868 0.035 0.000 0.923 20 T HN 0.812 nan 8.240 nan 0.000 0.468 21 E N 2.256 122.431 120.200 -0.042 0.000 2.287 21 E HA -0.137 4.207 4.350 -0.009 0.000 0.229 21 E C -1.872 174.707 176.600 -0.034 0.000 1.194 21 E CA 0.671 57.043 56.400 -0.048 0.000 0.704 21 E CB -3.029 26.624 29.700 -0.078 0.000 1.216 21 E HN 0.703 nan 8.360 nan 0.000 0.381 22 P HA 0.214 nan 4.420 nan 0.000 0.219 22 P C 1.439 178.728 177.300 -0.018 0.000 1.146 22 P CA 2.004 65.093 63.100 -0.017 0.000 0.808 22 P CB 0.325 32.020 31.700 -0.009 0.000 0.779 23 G N -1.688 107.101 108.800 -0.017 0.000 2.456 23 G HA2 0.065 4.019 3.960 -0.009 0.000 0.204 23 G HA3 0.065 4.019 3.960 -0.009 0.000 0.204 23 G C 0.662 175.555 174.900 -0.012 0.000 1.193 23 G CA 0.061 45.151 45.100 -0.016 0.000 1.220 23 G HN 0.292 nan 8.290 nan 0.000 0.565 24 A N -0.884 121.929 122.820 -0.011 0.000 2.051 24 A HA 0.537 4.851 4.320 -0.009 0.000 0.218 24 A C 1.053 178.633 177.584 -0.007 0.000 1.575 24 A CA 1.742 53.774 52.037 -0.008 0.000 0.700 24 A CB -0.238 18.757 19.000 -0.008 0.000 1.245 24 A HN 0.826 nan 8.150 nan 0.000 0.536 25 D N 0.766 121.161 120.400 -0.008 0.000 2.563 25 D HA 0.209 4.843 4.640 -0.009 0.000 0.222 25 D C 1.446 177.741 176.300 -0.009 0.000 1.145 25 D CA 0.665 54.660 54.000 -0.008 0.000 1.001 25 D CB 0.436 41.231 40.800 -0.008 0.000 1.049 25 D HN 0.370 nan 8.370 nan 0.000 0.515 26 T N -0.109 114.440 114.554 -0.008 0.000 2.803 26 T HA -0.212 4.133 4.350 -0.009 0.000 0.269 26 T C 1.591 176.285 174.700 -0.011 0.000 1.052 26 T CA 1.198 63.292 62.100 -0.010 0.000 1.136 26 T CB -0.179 68.686 68.868 -0.005 0.000 0.864 26 T HN 0.367 nan 8.240 nan 0.000 0.467 27 E N 0.702 120.898 120.200 -0.008 0.000 2.209 27 E HA -0.146 4.198 4.350 -0.009 0.000 0.196 27 E C 2.212 178.805 176.600 -0.012 0.000 0.993 27 E CA 0.967 57.362 56.400 -0.008 0.000 0.819 27 E CB -0.089 29.608 29.700 -0.006 0.000 0.745 27 E HN 0.649 nan 8.360 nan 0.000 0.477 28 K N 0.444 120.836 120.400 -0.012 0.000 2.137 28 K HA -0.149 4.166 4.320 -0.009 0.000 0.202 28 K C 2.057 178.646 176.600 -0.018 0.000 1.052 28 K CA 0.991 57.270 56.287 -0.013 0.000 0.961 28 K CB 0.085 32.578 32.500 -0.011 0.000 0.741 28 K HN -0.158 nan 8.250 nan 0.000 0.452 29 K N 1.135 121.523 120.400 -0.021 0.000 2.057 29 K HA -0.058 4.256 4.320 -0.009 0.000 0.207 29 K C 1.717 178.294 176.600 -0.038 0.000 1.049 29 K CA 1.598 57.867 56.287 -0.029 0.000 0.931 29 K CB -0.424 32.057 32.500 -0.031 0.000 0.714 29 K HN 0.223 nan 8.250 nan 0.000 0.440 30 A N 0.741 123.542 122.820 -0.032 0.000 1.933 30 A HA -0.134 4.180 4.320 -0.009 0.000 0.218 30 A C 2.066 179.628 177.584 -0.036 0.000 1.175 30 A CA 1.668 53.684 52.037 -0.035 0.000 0.628 30 A CB -0.527 18.462 19.000 -0.017 0.000 0.814 30 A HN 0.337 nan 8.150 nan 0.000 0.444 31 E N -0.155 120.028 120.200 -0.028 0.000 2.106 31 E HA -0.176 4.168 4.350 -0.009 0.000 0.192 31 E C 2.174 178.760 176.600 -0.023 0.000 0.984 31 E CA 1.259 57.644 56.400 -0.025 0.000 0.806 31 E CB -0.290 29.399 29.700 -0.017 0.000 0.750 31 E HN 0.773 nan 8.360 nan 0.000 0.458 32 Q N 0.067 119.854 119.800 -0.022 0.000 2.020 32 Q HA -0.087 4.248 4.340 -0.009 0.000 0.202 32 Q C 2.382 178.374 176.000 -0.015 0.000 0.982 32 Q CA 1.352 57.145 55.803 -0.016 0.000 0.838 32 Q CB -0.126 28.600 28.738 -0.019 0.000 0.899 32 Q HN 0.280 nan 8.270 nan 0.000 0.423 33 I N 0.383 120.934 120.570 -0.030 0.000 2.163 33 I HA -0.340 3.825 4.170 -0.009 0.000 0.243 33 I C 2.370 178.489 176.117 0.004 0.000 1.085 33 I CA 1.094 62.379 61.300 -0.024 0.000 1.347 33 I CB -0.498 37.449 38.000 -0.088 0.000 1.044 33 I HN 0.219 nan 8.210 nan 0.000 0.408 34 A N 0.775 123.568 122.820 -0.046 0.000 1.883 34 A HA -0.250 4.065 4.320 -0.009 0.000 0.217 34 A C 2.457 180.024 177.584 -0.028 0.000 1.186 34 A CA 2.727 54.706 52.037 -0.097 0.000 0.624 34 A CB -1.169 17.769 19.000 -0.104 0.000 0.822 34 A HN 0.547 nan 8.150 nan 0.000 0.444 35 T N -3.639 110.914 114.554 -0.002 0.000 2.976 35 T HA 0.163 4.508 4.350 -0.009 0.000 0.257 35 T C 1.874 176.599 174.700 0.042 0.000 1.051 35 T CA 1.322 63.435 62.100 0.022 0.000 1.141 35 T CB -0.591 68.285 68.868 0.012 0.000 0.881 35 T HN 0.383 nan 8.240 nan 0.000 0.461 36 G N 1.068 109.890 108.800 0.037 0.000 2.471 36 G HA2 0.073 4.028 3.960 -0.009 0.000 0.219 36 G HA3 0.073 4.028 3.960 -0.009 0.000 0.219 36 G C 1.051 175.992 174.900 0.068 0.000 1.125 36 G CA 0.335 45.459 45.100 0.041 0.000 0.775 36 G HN 0.477 nan 8.290 nan 0.000 0.548 37 L N 1.172 122.466 121.223 0.118 0.000 2.741 37 L HA 0.294 4.628 4.340 -0.009 0.000 0.237 37 L C 1.843 178.842 176.870 0.215 0.000 1.178 37 L CA 0.994 55.937 54.840 0.172 0.000 0.973 37 L CB 0.426 42.652 42.059 0.278 0.000 1.255 37 L HN 0.396 nan 8.230 nan 0.000 0.498 38 T N -5.045 109.610 114.554 0.169 0.000 3.444 38 T HA 0.334 4.678 4.350 -0.009 0.000 0.171 38 T C 0.510 175.279 174.700 0.115 0.000 0.918 38 T CA 0.593 62.802 62.100 0.181 0.000 0.974 38 T CB -0.215 68.778 68.868 0.208 0.000 1.239 38 T HN -0.149 nan 8.240 nan 0.000 0.300 49 K N 1.130 121.537 120.400 0.012 0.000 3.534 49 K HA -0.204 4.110 4.320 -0.009 0.000 0.264 49 K C 0.367 176.976 176.600 0.016 0.000 1.227 49 K CA 1.702 57.996 56.287 0.013 0.000 0.971 49 K CB -2.126 30.380 32.500 0.010 0.000 1.352 49 K HN 0.658 nan 8.250 nan 0.000 0.524 50 Q N 1.547 121.358 119.800 0.017 0.000 2.780 50 Q HA -0.004 4.330 4.340 -0.009 0.000 0.234 50 Q C -0.194 175.824 176.000 0.030 0.000 1.355 50 Q CA 0.330 56.147 55.803 0.022 0.000 0.919 50 Q CB 0.281 29.031 28.738 0.020 0.000 1.645 50 Q HN 0.216 nan 8.270 nan 0.000 0.568 51 E N 1.539 121.756 120.200 0.028 0.000 2.352 51 E HA -0.112 4.232 4.350 -0.009 0.000 0.197 51 E C 0.587 177.212 176.600 0.042 0.000 1.224 51 E CA 0.313 56.732 56.400 0.032 0.000 1.118 51 E CB -0.090 29.623 29.700 0.022 0.000 1.198 51 E HN 0.512 nan 8.360 nan 0.000 0.454 52 Q N -0.183 119.652 119.800 0.058 0.000 2.247 52 Q HA 0.124 4.459 4.340 -0.009 0.000 0.204 52 Q C 0.736 176.822 176.000 0.142 0.000 0.872 52 Q CA -0.006 55.842 55.803 0.074 0.000 0.951 52 Q CB 0.287 29.071 28.738 0.076 0.000 1.099 52 Q HN 0.405 nan 8.270 nan 0.000 0.501 53 M N -0.294 119.393 119.600 0.145 0.000 2.431 53 M HA 0.038 4.512 4.480 -0.009 0.000 0.237 53 M C 1.855 178.251 176.300 0.160 0.000 1.130 53 M CA 0.448 55.888 55.300 0.234 0.000 1.002 53 M CB 0.635 33.316 32.600 0.134 0.000 1.524 53 M HN 0.217 nan 8.290 nan 0.000 0.482 54 Q N 1.837 121.686 119.800 0.082 0.000 2.245 54 Q HA -0.122 4.212 4.340 -0.009 0.000 0.201 54 Q C 1.754 177.764 176.000 0.017 0.000 0.955 54 Q CA 1.525 57.354 55.803 0.044 0.000 0.870 54 Q CB -0.768 27.983 28.738 0.022 0.000 0.945 54 Q HN 0.731 nan 8.270 nan 0.000 0.461 55 K N -1.165 119.214 120.400 -0.034 0.000 2.504 55 K HA -0.059 4.255 4.320 -0.009 0.000 0.195 55 K C 0.414 176.885 176.600 -0.215 0.000 1.036 55 K CA 1.259 57.460 56.287 -0.142 0.000 0.984 55 K CB -0.093 32.272 32.500 -0.225 0.000 0.788 55 K HN 0.659 nan 8.250 nan 0.000 0.488 56 H N 0.331 119.422 119.070 0.035 0.000 2.594 56 H HA 0.245 4.795 4.556 -0.009 0.000 0.279 56 H C -0.549 174.818 175.328 0.065 0.000 1.042 56 H CA -0.335 55.746 56.048 0.055 0.000 1.177 56 H CB 0.688 30.483 29.762 0.054 0.000 1.524 56 H HN 0.029 nan 8.280 nan 0.000 0.537 57 K N 1.176 121.653 120.400 0.127 0.000 2.201 57 K HA 0.334 4.649 4.320 -0.009 0.000 0.278 57 K C 0.473 177.099 176.600 0.043 0.000 1.027 57 K CA -0.589 55.749 56.287 0.084 0.000 0.909 57 K CB 1.031 33.562 32.500 0.052 0.000 1.062 57 K HN 0.281 nan 8.250 nan 0.000 0.465 58 G N 2.986 111.796 108.800 0.017 0.000 2.634 58 G HA2 0.268 4.223 3.960 -0.009 0.000 0.255 58 G HA3 0.268 4.223 3.960 -0.009 0.000 0.255 58 G C -0.797 174.044 174.900 -0.098 0.000 1.205 58 G CA -0.503 44.539 45.100 -0.096 0.000 0.884 58 G HN 0.639 nan 8.290 nan 0.000 0.549 59 R N -0.701 119.713 120.500 -0.143 0.000 2.604 59 R HA 0.377 4.712 4.340 -0.009 0.000 0.281 59 R C -1.170 175.073 176.300 -0.096 0.000 1.020 59 R CA -0.824 55.222 56.100 -0.089 0.000 0.899 59 R CB 2.522 32.790 30.300 -0.053 0.000 1.205 59 R HN 0.341 nan 8.270 nan 0.000 0.450 60 V N 4.840 124.717 119.914 -0.062 0.000 2.470 60 V HA 0.037 4.152 4.120 -0.009 0.000 0.276 60 V C 1.084 177.161 176.094 -0.027 0.000 1.040 60 V CA 0.207 62.482 62.300 -0.042 0.000 1.008 60 V CB 0.767 32.574 31.823 -0.026 0.000 0.990 60 V HN 0.736 nan 8.190 nan 0.000 0.477 61 I N 3.363 123.922 120.570 -0.018 0.000 3.081 61 I HA 0.253 4.418 4.170 -0.009 0.000 0.274 61 I C 0.819 176.932 176.117 -0.007 0.000 1.178 61 I CA 0.884 62.176 61.300 -0.013 0.000 1.460 61 I CB -0.124 37.868 38.000 -0.012 0.000 1.137 61 I HN 0.607 nan 8.210 nan 0.000 0.443 62 K N -0.019 120.383 120.400 0.004 0.000 2.568 62 K HA 0.581 4.895 4.320 -0.009 0.000 0.273 62 K C -1.861 174.749 176.600 0.016 0.000 0.951 62 K CA -0.333 55.958 56.287 0.006 0.000 0.854 62 K CB 2.805 35.307 32.500 0.003 0.000 1.424 62 K HN -0.280 nan 8.250 nan 0.000 0.427 63 V N 3.023 122.944 119.914 0.012 0.000 2.610 63 V HA 0.316 4.430 4.120 -0.009 0.000 0.298 63 V C -1.442 174.660 176.094 0.012 0.000 1.067 63 V CA -0.758 61.551 62.300 0.015 0.000 0.894 63 V CB 1.740 33.569 31.823 0.009 0.000 1.015 63 V HN 0.774 nan 8.190 nan 0.000 0.432 64 E N 3.251 123.461 120.200 0.016 0.000 2.155 64 E HA 0.411 4.756 4.350 -0.009 0.000 0.264 64 E C -0.033 176.575 176.600 0.013 0.000 0.886 64 E CA -0.574 55.834 56.400 0.013 0.000 0.752 64 E CB 2.906 32.614 29.700 0.013 0.000 1.133 64 E HN 0.581 nan 8.360 nan 0.000 0.414 65 E N 2.128 122.334 120.200 0.010 0.000 2.152 65 E HA -0.057 4.287 4.350 -0.009 0.000 0.192 65 E C 0.213 176.820 176.600 0.011 0.000 0.983 65 E CA 0.446 56.851 56.400 0.009 0.000 0.818 65 E CB 0.176 29.879 29.700 0.005 0.000 0.758 65 E HN 0.323 nan 8.360 nan 0.000 0.467 74 K N 0.968 121.375 120.400 0.011 0.000 2.437 74 K HA -0.015 4.299 4.320 -0.009 0.000 0.277 74 K C -0.440 176.173 176.600 0.022 0.000 1.073 74 K CA 0.812 57.107 56.287 0.013 0.000 1.105 74 K CB 0.248 32.748 32.500 0.000 0.000 0.881 74 K HN 0.336 nan 8.250 nan 0.000 0.475 75 Q N 1.691 121.512 119.800 0.034 0.000 2.399 75 Q HA 0.714 5.048 4.340 -0.009 0.000 0.276 75 Q C -1.443 174.575 176.000 0.029 0.000 1.098 75 Q CA -1.234 54.595 55.803 0.043 0.000 0.827 75 Q CB 2.346 31.123 28.738 0.065 0.000 1.386 75 Q HN 0.700 nan 8.270 nan 0.000 0.443 76 A N 0.892 123.730 122.820 0.031 0.000 2.488 76 A HA 0.622 4.937 4.320 -0.009 0.000 0.298 76 A C -1.324 176.283 177.584 0.038 0.000 1.044 76 A CA -0.503 51.550 52.037 0.027 0.000 0.693 76 A CB 1.533 20.544 19.000 0.019 0.000 1.272 76 A HN 0.381 nan 8.150 nan 0.000 0.402 77 V N 3.608 123.545 119.914 0.037 0.000 2.370 77 V HA 0.470 4.584 4.120 -0.009 0.000 0.283 77 V C -0.275 175.856 176.094 0.062 0.000 1.023 77 V CA -0.076 62.254 62.300 0.050 0.000 0.857 77 V CB 0.911 32.753 31.823 0.032 0.000 0.985 77 V HN 0.703 nan 8.190 nan 0.000 0.443 78 I N 3.630 124.266 120.570 0.110 0.000 2.569 78 I HA 0.516 4.681 4.170 -0.009 0.000 0.296 78 I C -0.140 176.087 176.117 0.184 0.000 1.028 78 I CA -0.321 61.055 61.300 0.126 0.000 1.082 78 I CB 2.507 40.578 38.000 0.117 0.000 1.264 78 I HN 0.451 nan 8.210 nan 0.000 0.429 79 T N 6.348 120.974 114.554 0.120 0.000 2.809 79 T HA 0.610 4.954 4.350 -0.009 0.000 0.284 79 T C -0.507 174.246 174.700 0.088 0.000 0.992 79 T CA -0.296 61.866 62.100 0.103 0.000 0.957 79 T CB 1.033 69.927 68.868 0.045 0.000 0.942 79 T HN 0.143 nan 8.240 nan 0.000 0.439 80 I N 2.752 123.399 120.570 0.128 0.000 2.441 80 I HA 0.648 4.812 4.170 -0.009 0.000 0.295 80 I C 0.232 176.288 176.117 -0.101 0.000 0.994 80 I CA -0.771 60.511 61.300 -0.030 0.000 1.144 80 I CB 1.704 39.638 38.000 -0.110 0.000 1.314 80 I HN 0.688 nan 8.210 nan 0.000 0.445 81 A N 5.947 128.665 122.820 -0.171 0.000 2.260 81 A HA 0.688 5.002 4.320 -0.009 0.000 0.308 81 A C -1.385 176.101 177.584 -0.163 0.000 1.254 81 A CA -0.231 51.763 52.037 -0.072 0.000 0.874 81 A CB -0.079 18.905 19.000 -0.026 0.000 1.153 81 A HN 0.544 nan 8.150 nan 0.000 0.527 82 Y N 3.609 123.978 120.300 0.116 0.000 2.335 82 Y HA 0.419 4.964 4.550 -0.008 0.000 0.338 82 Y C -1.994 174.014 175.900 0.180 0.000 0.977 82 Y CA -2.535 55.670 58.100 0.176 0.000 1.114 82 Y CB 1.798 40.406 38.460 0.246 0.000 1.182 82 Y HN 0.514 nan 8.280 nan 0.000 0.463 83 P HA 0.060 nan 4.420 nan 0.000 0.271 83 P C -0.158 177.172 177.300 0.049 0.000 1.226 83 P CA 0.057 63.233 63.100 0.128 0.000 0.765 83 P CB 1.202 32.940 31.700 0.065 0.000 0.835 84 E N 2.148 122.299 120.200 -0.080 0.000 2.409 84 E HA -0.111 4.233 4.350 -0.009 0.000 0.198 84 E C 1.596 177.887 176.600 -0.516 0.000 1.024 84 E CA 0.658 56.798 56.400 -0.434 0.000 0.861 84 E CB -0.383 29.246 29.700 -0.118 0.000 0.788 84 E HN 0.585 nan 8.360 nan 0.000 0.521 85 I N -2.209 118.222 120.570 -0.232 0.000 2.830 85 I HA -0.123 4.042 4.170 -0.009 0.000 0.263 85 I C 1.345 177.435 176.117 -0.045 0.000 1.230 85 I CA 0.977 62.196 61.300 -0.135 0.000 1.480 85 I CB -0.252 37.693 38.000 -0.093 0.000 1.095 85 I HN -0.020 nan 8.210 nan 0.000 0.455 86 N N 0.976 119.661 118.700 -0.025 0.000 2.512 86 N HA 0.058 4.792 4.740 -0.009 0.000 0.183 86 N C -0.290 175.391 175.510 0.285 0.000 1.073 86 N CA 0.615 53.794 53.050 0.215 0.000 0.911 86 N CB 0.123 38.848 38.487 0.397 0.000 0.964 86 N HN 0.493 nan 8.380 nan 0.000 0.447 87 F N -2.044 117.988 119.950 0.138 0.000 2.686 87 F HA 0.447 4.969 4.527 -0.009 0.000 0.311 87 F C -0.234 175.636 175.800 0.116 0.000 1.128 87 F CA -1.635 56.436 58.000 0.119 0.000 0.946 87 F CB 0.506 39.578 39.000 0.121 0.000 1.336 87 F HN -0.287 nan 8.300 nan 0.000 0.457 88 S N -0.255 115.623 115.700 0.297 0.000 2.600 88 S HA 0.249 4.714 4.470 -0.009 0.000 0.265 88 S C -0.400 174.346 174.600 0.243 0.000 1.325 88 S CA -0.798 57.502 58.200 0.167 0.000 1.002 88 S CB 0.822 64.106 63.200 0.140 0.000 0.921 88 S HN 0.732 nan 8.310 nan 0.000 0.554 89 Q N 1.947 121.761 119.800 0.024 0.000 2.835 89 Q HA 0.296 4.631 4.340 -0.009 0.000 0.235 89 Q C -1.133 174.880 176.000 0.022 0.000 1.313 89 Q CA -0.197 55.482 55.803 -0.207 0.000 1.053 89 Q CB -0.360 28.014 28.738 -0.607 0.000 1.443 89 Q HN 0.813 nan 8.270 nan 0.000 0.576 90 D N -1.576 119.047 120.400 0.373 0.000 2.654 90 D HA 0.175 4.809 4.640 -0.009 0.000 0.231 90 D C 0.501 177.059 176.300 0.430 0.000 1.239 90 D CA -0.809 53.399 54.000 0.347 0.000 0.790 90 D CB 0.650 41.568 40.800 0.197 0.000 1.480 90 D HN -0.082 nan 8.370 nan 0.000 0.442 91 I N 0.004 120.780 120.570 0.342 0.000 2.208 91 I HA -0.085 4.080 4.170 -0.009 0.000 0.245 91 I C -0.819 175.393 176.117 0.158 0.000 1.097 91 I CA 0.835 62.290 61.300 0.258 0.000 1.363 91 I CB -2.371 35.754 38.000 0.208 0.000 1.051 91 I HN 0.438 nan 8.210 nan 0.000 0.413 92 P HA -0.113 nan 4.420 nan 0.000 0.215 92 P C 1.753 179.089 177.300 0.061 0.000 1.153 92 P CA 2.052 65.204 63.100 0.087 0.000 0.853 92 P CB 0.025 31.776 31.700 0.085 0.000 0.788 93 A N -0.098 122.783 122.820 0.101 0.000 1.898 93 A HA -0.143 4.171 4.320 -0.009 0.000 0.216 93 A C 2.136 179.644 177.584 -0.126 0.000 1.181 93 A CA 1.158 53.239 52.037 0.074 0.000 0.620 93 A CB -1.686 17.450 19.000 0.226 0.000 0.819 93 A HN 0.138 nan 8.150 nan 0.000 0.442 94 L N -0.120 121.046 121.223 -0.094 0.000 2.017 94 L HA -0.136 4.198 4.340 -0.009 0.000 0.208 94 L C 2.245 178.891 176.870 -0.374 0.000 1.073 94 L CA 2.021 56.611 54.840 -0.418 0.000 0.745 94 L CB -0.838 41.139 42.059 -0.136 0.000 0.894 94 L HN 0.445 nan 8.230 nan 0.000 0.432 95 L N -0.575 120.572 121.223 -0.126 0.000 2.072 95 L HA -0.167 4.168 4.340 -0.009 0.000 0.205 95 L C 2.496 179.344 176.870 -0.037 0.000 1.079 95 L CA 1.476 56.304 54.840 -0.019 0.000 0.752 95 L CB -0.890 41.238 42.059 0.116 0.000 0.906 95 L HN 0.252 nan 8.230 nan 0.000 0.436 96 T N -0.935 113.580 114.554 -0.066 0.000 2.759 96 T HA -0.172 4.172 4.350 -0.009 0.000 0.269 96 T C 1.888 176.515 174.700 -0.122 0.000 1.042 96 T CA 1.913 63.972 62.100 -0.068 0.000 1.140 96 T CB -0.211 68.630 68.868 -0.044 0.000 0.864 96 T HN 0.352 nan 8.240 nan 0.000 0.455 97 T N 1.856 116.265 114.554 -0.242 0.000 2.732 97 T HA -0.050 4.295 4.350 -0.009 0.000 0.261 97 T C 2.217 176.691 174.700 -0.375 0.000 1.040 97 T CA 1.517 63.421 62.100 -0.327 0.000 1.145 97 T CB -0.357 68.135 68.868 -0.627 0.000 0.866 97 T HN 0.442 nan 8.240 nan 0.000 0.427 98 V N -2.363 117.273 119.914 -0.465 0.000 3.608 98 V HA 0.408 4.522 4.120 -0.009 0.000 0.269 98 V C 0.731 176.897 176.094 0.119 0.000 1.245 98 V CA 0.505 62.559 62.300 -0.410 0.000 1.138 98 V CB -0.376 31.105 31.823 -0.569 0.000 0.841 98 V HN 0.338 nan 8.190 nan 0.000 0.451 99 F N 0.741 120.612 119.950 -0.133 0.000 2.656 99 F HA 0.693 5.216 4.527 -0.007 0.000 0.363 99 F C 1.236 176.991 175.800 -0.074 0.000 1.313 99 F CA -0.443 57.514 58.000 -0.072 0.000 1.089 99 F CB 0.437 39.355 39.000 -0.136 0.000 1.247 99 F HN 0.078 nan 8.300 nan 0.000 0.509 100 G N 0.961 109.701 108.800 -0.100 0.000 2.655 100 G HA2 -0.057 3.898 3.960 -0.009 0.000 0.217 100 G HA3 -0.057 3.898 3.960 -0.009 0.000 0.217 100 G C 1.487 176.271 174.900 -0.194 0.000 1.279 100 G CA 0.380 45.395 45.100 -0.141 0.000 0.870 100 G HN 0.244 nan 8.290 nan 0.000 0.560 101 K N 0.068 120.391 120.400 -0.129 0.000 2.026 101 K HA 0.109 4.424 4.320 -0.009 0.000 0.208 101 K C 2.561 179.065 176.600 -0.161 0.000 1.048 101 K CA 0.725 56.942 56.287 -0.118 0.000 0.929 101 K CB -0.447 32.014 32.500 -0.065 0.000 0.713 101 K HN 0.152 nan 8.250 nan 0.000 0.439 102 L N 1.486 122.621 121.223 -0.146 0.000 2.064 102 L HA -0.300 4.034 4.340 -0.009 0.000 0.216 102 L C 2.617 179.312 176.870 -0.291 0.000 1.077 102 L CA 1.812 56.568 54.840 -0.139 0.000 0.766 102 L CB -0.872 41.191 42.059 0.005 0.000 0.890 102 L HN 0.370 nan 8.230 nan 0.000 0.435 103 S N -0.376 114.874 115.700 -0.751 0.000 2.440 103 S HA -0.167 4.297 4.470 -0.009 0.000 0.238 103 S C 1.657 176.036 174.600 -0.369 0.000 1.010 103 S CA 1.082 58.652 58.200 -1.051 0.000 0.972 103 S CB -0.453 61.946 63.200 -1.337 0.000 0.774 103 S HN 0.489 nan 8.310 nan 0.000 0.501 104 L N 0.577 121.654 121.223 -0.243 0.000 2.585 104 L HA 0.306 4.641 4.340 -0.009 0.000 0.226 104 L C 0.876 177.714 176.870 -0.054 0.000 1.113 104 L CA 0.082 54.849 54.840 -0.121 0.000 0.876 104 L CB -0.121 41.870 42.059 -0.113 0.000 1.072 104 L HN 0.145 nan 8.230 nan 0.000 0.468 105 D N 1.616 121.985 120.400 -0.052 0.000 2.801 105 D HA 0.263 4.897 4.640 -0.009 0.000 0.232 105 D C 1.039 177.357 176.300 0.031 0.000 1.128 105 D CA 0.859 54.849 54.000 -0.017 0.000 1.003 105 D CB -0.336 40.441 40.800 -0.038 0.000 1.110 105 D HN 0.304 nan 8.370 nan 0.000 0.477 106 G N 1.800 110.647 108.800 0.077 0.000 2.562 106 G HA2 -0.296 3.658 3.960 -0.009 0.000 0.250 106 G HA3 -0.296 3.658 3.960 -0.009 0.000 0.250 106 G C -0.199 174.835 174.900 0.223 0.000 1.269 106 G CA -0.486 44.696 45.100 0.137 0.000 0.919 106 G HN 0.446 nan 8.290 nan 0.000 0.574 107 K N 0.453 120.877 120.400 0.040 0.000 2.171 107 K HA 0.523 4.838 4.320 -0.009 0.000 0.274 107 K C -0.017 176.519 176.600 -0.107 0.000 1.110 107 K CA 0.185 56.322 56.287 -0.251 0.000 0.952 107 K CB 0.452 32.750 32.500 -0.337 0.000 1.309 107 K HN 0.523 nan 8.250 nan 0.000 0.414 108 I N 1.421 121.990 120.570 -0.001 0.000 2.656 108 I HA 0.285 4.449 4.170 -0.009 0.000 0.292 108 I C -1.686 174.564 176.117 0.222 0.000 1.144 108 I CA -0.761 60.607 61.300 0.113 0.000 1.038 108 I CB 1.736 39.827 38.000 0.151 0.000 1.244 108 I HN 0.347 nan 8.210 nan 0.000 0.420 109 K N 6.656 127.131 120.400 0.125 0.000 2.443 109 K HA 0.427 4.742 4.320 -0.009 0.000 0.252 109 K C -1.681 174.768 176.600 -0.251 0.000 0.933 109 K CA -0.802 55.481 56.287 -0.007 0.000 0.792 109 K CB 1.949 34.433 32.500 -0.027 0.000 1.185 109 K HN 0.556 nan 8.250 nan 0.000 0.425 110 L N 6.783 127.534 121.223 -0.787 0.000 2.342 110 L HA 0.160 4.495 4.340 -0.009 0.000 0.285 110 L C 0.473 177.049 176.870 -0.489 0.000 1.095 110 L CA 0.178 54.467 54.840 -0.918 0.000 0.843 110 L CB 0.321 41.420 42.059 -1.601 0.000 1.201 110 L HN 0.784 nan 8.230 nan 0.000 0.445 111 I N 2.539 122.899 120.570 -0.350 0.000 2.480 111 I HA 0.162 4.327 4.170 -0.009 0.000 0.251 111 I C 0.506 176.507 176.117 -0.192 0.000 1.124 111 I CA 0.726 61.903 61.300 -0.206 0.000 1.444 111 I CB -0.703 37.217 38.000 -0.134 0.000 1.098 111 I HN 0.607 nan 8.210 nan 0.000 0.428 112 D N -0.773 119.472 120.400 -0.259 0.000 2.653 112 D HA 0.484 5.119 4.640 -0.009 0.000 0.258 112 D C -1.420 174.693 176.300 -0.312 0.000 1.252 112 D CA -0.319 53.530 54.000 -0.251 0.000 0.777 112 D CB 1.989 42.671 40.800 -0.196 0.000 1.339 112 D HN -0.212 nan 8.370 nan 0.000 0.422 113 L N 2.058 123.077 121.223 -0.340 0.000 2.438 113 L HA 0.414 4.749 4.340 -0.009 0.000 0.270 113 L C -1.037 175.645 176.870 -0.313 0.000 0.972 113 L CA -0.676 53.981 54.840 -0.305 0.000 0.831 113 L CB 2.037 43.940 42.059 -0.259 0.000 1.273 113 L HN 0.360 nan 8.230 nan 0.000 0.405 114 H N 2.927 121.998 119.070 0.003 0.000 2.673 114 H HA 0.399 4.949 4.556 -0.009 0.000 0.293 114 H C -0.715 174.703 175.328 0.150 0.000 1.065 114 H CA -0.317 55.819 56.048 0.147 0.000 1.236 114 H CB 0.713 30.529 29.762 0.089 0.000 1.389 114 H HN 0.235 nan 8.280 nan 0.000 0.481 115 F N 1.306 121.369 119.950 0.188 0.000 2.459 115 F HA 0.131 4.652 4.527 -0.010 0.000 0.346 115 F C 1.245 177.169 175.800 0.206 0.000 1.128 115 F CA -0.490 57.617 58.000 0.178 0.000 1.268 115 F CB 0.740 39.897 39.000 0.262 0.000 1.161 115 F HN 0.451 nan 8.300 nan 0.000 0.583 116 S N 1.169 117.095 115.700 0.377 0.000 2.624 116 S HA 0.161 4.625 4.470 -0.009 0.000 0.263 116 S C 0.929 175.691 174.600 0.270 0.000 1.287 116 S CA -0.701 57.661 58.200 0.271 0.000 0.990 116 S CB 0.946 64.282 63.200 0.227 0.000 0.950 116 S HN 0.606 nan 8.310 nan 0.000 0.561 117 E N 0.805 121.098 120.200 0.156 0.000 2.107 117 E HA -0.027 4.317 4.350 -0.009 0.000 0.191 117 E C 2.317 178.972 176.600 0.091 0.000 0.982 117 E CA 1.354 57.806 56.400 0.086 0.000 0.809 117 E CB -0.956 28.759 29.700 0.025 0.000 0.756 117 E HN 0.788 nan 8.360 nan 0.000 0.459 118 A N 0.494 123.379 122.820 0.108 0.000 1.933 118 A HA -0.161 4.153 4.320 -0.009 0.000 0.218 118 A C 2.022 179.675 177.584 0.115 0.000 1.175 118 A CA 0.964 53.045 52.037 0.074 0.000 0.628 118 A CB -0.669 18.360 19.000 0.047 0.000 0.814 118 A HN 0.230 nan 8.150 nan 0.000 0.444 119 F N 0.698 120.733 119.950 0.141 0.000 2.186 119 F HA -0.040 4.481 4.527 -0.010 0.000 0.299 119 F C 2.043 177.983 175.800 0.235 0.000 1.090 119 F CA 1.613 59.753 58.000 0.235 0.000 1.307 119 F CB -0.120 39.115 39.000 0.393 0.000 1.019 119 F HN 0.132 nan 8.300 nan 0.000 0.489 120 K N -0.242 120.418 120.400 0.432 0.000 2.280 120 K HA -0.142 4.172 4.320 -0.009 0.000 0.202 120 K C 1.974 178.644 176.600 0.117 0.000 1.047 120 K CA 1.050 57.481 56.287 0.241 0.000 0.942 120 K CB -0.155 32.289 32.500 -0.094 0.000 0.739 120 K HN 0.255 nan 8.250 nan 0.000 0.457 121 R N 0.093 120.623 120.500 0.050 0.000 2.235 121 R HA 0.015 4.350 4.340 -0.009 0.000 0.213 121 R C 1.709 178.020 176.300 0.018 0.000 1.059 121 R CA 0.780 56.879 56.100 -0.002 0.000 0.997 121 R CB 0.090 30.372 30.300 -0.029 0.000 0.884 121 R HN 0.099 nan 8.270 nan 0.000 0.462 122 A N 0.321 123.152 122.820 0.017 0.000 2.275 122 A HA 0.228 4.542 4.320 -0.009 0.000 0.212 122 A C 0.381 178.008 177.584 0.070 0.000 1.201 122 A CA 0.021 52.042 52.037 -0.027 0.000 0.843 122 A CB 0.229 19.101 19.000 -0.214 0.000 0.873 122 A HN 0.061 nan 8.150 nan 0.000 0.492 123 L N -0.264 121.060 121.223 0.170 0.000 2.342 123 L HA 0.376 4.711 4.340 -0.009 0.000 0.271 123 L C -1.470 175.506 176.870 0.176 0.000 1.008 123 L CA -2.022 52.917 54.840 0.166 0.000 0.818 123 L CB 2.160 44.303 42.059 0.140 0.000 1.296 123 L HN -0.003 nan 8.230 nan 0.000 0.427 124 P HA 0.065 nan 4.420 nan 0.000 0.222 124 P C 0.645 177.996 177.300 0.084 0.000 1.157 124 P CA 0.856 63.996 63.100 0.066 0.000 0.816 124 P CB 0.703 32.411 31.700 0.015 0.000 0.813 125 G N 0.991 109.695 108.800 -0.160 0.000 2.796 125 G HA2 -0.162 3.792 3.960 -0.009 0.000 0.226 125 G HA3 -0.162 3.792 3.960 -0.009 0.000 0.226 125 G C -2.972 171.899 174.900 -0.049 0.000 1.381 125 G CA -0.675 44.277 45.100 -0.247 0.000 0.867 125 G HN 0.122 nan 8.290 nan 0.000 0.552 126 P HA 0.268 nan 4.420 nan 0.000 0.275 126 P C 0.789 178.109 177.300 0.032 0.000 1.227 126 P CA -0.207 62.908 63.100 0.025 0.000 0.781 126 P CB 0.956 32.670 31.700 0.023 0.000 0.906 127 K N 1.540 121.970 120.400 0.050 0.000 2.097 127 K HA -0.063 4.251 4.320 -0.009 0.000 0.205 127 K C 0.988 177.430 176.600 -0.263 0.000 1.050 127 K CA 1.786 58.026 56.287 -0.079 0.000 0.938 127 K CB -0.156 32.328 32.500 -0.026 0.000 0.718 127 K HN 0.442 nan 8.250 nan 0.000 0.442 128 F N -0.547 119.394 119.950 -0.015 0.000 2.532 128 F HA 0.215 4.736 4.527 -0.010 0.000 0.278 128 F C 1.398 177.176 175.800 -0.036 0.000 0.975 128 F CA 0.529 58.518 58.000 -0.018 0.000 1.292 128 F CB -0.494 38.475 39.000 -0.051 0.000 1.112 128 F HN 0.141 nan 8.300 nan 0.000 0.703 129 G N 0.838 109.693 108.800 0.092 0.000 2.752 129 G HA2 -0.248 3.706 3.960 -0.009 0.000 0.234 129 G HA3 -0.248 3.706 3.960 -0.009 0.000 0.234 129 G C 0.772 175.583 174.900 -0.148 0.000 1.367 129 G CA -0.229 44.843 45.100 -0.047 0.000 0.879 129 G HN 0.169 nan 8.290 nan 0.000 0.563 130 V N -0.285 119.434 119.914 -0.325 0.000 2.324 130 V HA -0.245 3.870 4.120 -0.009 0.000 0.250 130 V C 2.242 178.195 176.094 -0.234 0.000 1.060 130 V CA 3.126 65.026 62.300 -0.666 0.000 1.042 130 V CB -1.078 30.302 31.823 -0.738 0.000 0.650 130 V HN 0.718 nan 8.190 nan 0.000 0.450 131 Y N 1.873 122.110 120.300 -0.104 0.000 2.114 131 Y HA -0.092 4.453 4.550 -0.010 0.000 0.284 131 Y C 2.384 178.346 175.900 0.104 0.000 1.143 131 Y CA 1.707 59.849 58.100 0.068 0.000 1.135 131 Y CB -0.986 37.530 38.460 0.093 0.000 0.980 131 Y HN 0.175 nan 8.280 nan 0.000 0.499 132 G N 0.978 109.793 108.800 0.026 0.000 2.440 132 G HA2 -0.250 3.705 3.960 -0.009 0.000 0.218 132 G HA3 -0.250 3.705 3.960 -0.009 0.000 0.218 132 G C 1.588 176.520 174.900 0.053 0.000 1.154 132 G CA 1.294 46.449 45.100 0.092 0.000 0.767 132 G HN 0.402 nan 8.290 nan 0.000 0.552 133 I N 0.815 121.393 120.570 0.014 0.000 2.179 133 I HA -0.077 4.088 4.170 -0.009 0.000 0.242 133 I C 2.816 178.874 176.117 -0.099 0.000 1.088 133 I CA 1.024 62.325 61.300 0.002 0.000 1.357 133 I CB -1.053 37.042 38.000 0.158 0.000 1.051 133 I HN 0.186 nan 8.210 nan 0.000 0.409 134 R N 0.638 121.005 120.500 -0.222 0.000 2.127 134 R HA -0.199 4.136 4.340 -0.009 0.000 0.238 134 R C 2.257 178.056 176.300 -0.835 0.000 1.134 134 R CA 1.285 57.007 56.100 -0.630 0.000 0.975 134 R CB -0.278 29.426 30.300 -0.994 0.000 0.865 134 R HN 0.380 nan 8.270 nan 0.000 0.447 135 K N 0.666 120.746 120.400 -0.534 0.000 2.057 135 K HA -0.131 4.183 4.320 -0.009 0.000 0.206 135 K C 1.751 178.288 176.600 -0.105 0.000 1.050 135 K CA 0.993 57.167 56.287 -0.188 0.000 0.935 135 K CB 0.112 32.462 32.500 -0.250 0.000 0.715 135 K HN 0.011 nan 8.250 nan 0.000 0.439 136 L N 1.332 122.487 121.223 -0.114 0.000 2.141 136 L HA -0.088 4.246 4.340 -0.009 0.000 0.209 136 L C 2.127 178.920 176.870 -0.128 0.000 1.094 136 L CA 1.433 56.216 54.840 -0.095 0.000 0.763 136 L CB -0.786 41.206 42.059 -0.112 0.000 0.908 136 L HN 0.268 nan 8.230 nan 0.000 0.437 137 L N -1.128 120.003 121.223 -0.153 0.000 2.477 137 L HA 0.190 4.525 4.340 -0.009 0.000 0.220 137 L C 1.387 178.205 176.870 -0.087 0.000 1.106 137 L CA 0.545 55.301 54.840 -0.140 0.000 0.851 137 L CB -0.436 41.537 42.059 -0.143 0.000 0.994 137 L HN 0.472 nan 8.230 nan 0.000 0.462 138 G N 1.360 110.107 108.800 -0.089 0.000 2.221 138 G HA2 -0.299 3.656 3.960 -0.009 0.000 0.265 138 G HA3 -0.299 3.656 3.960 -0.009 0.000 0.265 138 G C -0.052 174.881 174.900 0.056 0.000 1.041 138 G CA 0.423 45.561 45.100 0.062 0.000 0.807 138 G HN 0.375 nan 8.290 nan 0.000 0.502 139 E N -0.917 119.178 120.200 -0.176 0.000 2.235 139 E HA 0.706 5.050 4.350 -0.009 0.000 0.252 139 E C 0.218 176.656 176.600 -0.270 0.000 0.886 139 E CA -1.047 55.300 56.400 -0.087 0.000 0.767 139 E CB 0.330 30.006 29.700 -0.041 0.000 1.205 139 E HN 0.060 nan 8.360 nan 0.000 0.421 140 F N 1.857 121.857 119.950 0.084 0.000 2.752 140 F HA 0.283 4.804 4.527 -0.009 0.000 0.310 140 F C 0.869 176.730 175.800 0.102 0.000 1.097 140 F CA -0.129 57.930 58.000 0.098 0.000 1.238 140 F CB 0.801 39.856 39.000 0.092 0.000 1.061 140 F HN 0.415 nan 8.300 nan 0.000 0.591 141 E N 1.104 121.453 120.200 0.248 0.000 2.411 141 E HA 0.217 4.562 4.350 -0.009 0.000 0.204 141 E C 0.148 176.828 176.600 0.134 0.000 1.059 141 E CA -0.090 56.417 56.400 0.178 0.000 1.112 141 E CB 0.583 30.371 29.700 0.148 0.000 1.168 141 E HN 0.014 nan 8.360 nan 0.000 0.445 142 R N 1.339 121.916 120.500 0.128 0.000 2.728 142 R HA 0.190 4.524 4.340 -0.009 0.000 0.259 142 R C -3.135 173.209 176.300 0.073 0.000 1.057 142 R CA -1.644 54.513 56.100 0.094 0.000 0.908 142 R CB 1.441 31.781 30.300 0.067 0.000 1.259 142 R HN -0.070 nan 8.270 nan 0.000 0.472 143 P HA 0.211 nan 4.420 nan 0.000 0.274 143 P C -0.323 176.884 177.300 -0.155 0.000 1.237 143 P CA -0.320 62.732 63.100 -0.080 0.000 0.793 143 P CB 0.863 32.443 31.700 -0.200 0.000 0.977 144 L N 1.317 122.367 121.223 -0.288 0.000 2.379 144 L HA 0.435 4.769 4.340 -0.009 0.000 0.269 144 L C 0.720 177.407 176.870 -0.305 0.000 1.084 144 L CA -0.962 53.704 54.840 -0.291 0.000 0.802 144 L CB 0.616 42.424 42.059 -0.419 0.000 1.175 144 L HN 0.280 nan 8.230 nan 0.000 0.448 145 L N 3.483 124.565 121.223 -0.234 0.000 2.296 145 L HA 0.538 4.873 4.340 -0.009 0.000 0.286 145 L C -0.564 176.134 176.870 -0.287 0.000 1.023 145 L CA -0.221 54.460 54.840 -0.265 0.000 0.812 145 L CB 1.531 43.474 42.059 -0.194 0.000 1.223 145 L HN 0.684 nan 8.230 nan 0.000 0.421 146 M N 4.096 123.487 119.600 -0.349 0.000 2.591 146 M HA 0.490 4.964 4.480 -0.009 0.000 0.306 146 M C -1.336 174.755 176.300 -0.348 0.000 1.190 146 M CA -0.118 54.982 55.300 -0.334 0.000 0.889 146 M CB 2.350 34.743 32.600 -0.345 0.000 1.728 146 M HN 0.611 nan 8.290 nan 0.000 0.458 147 S N 2.776 118.289 115.700 -0.311 0.000 2.705 147 S HA 0.839 5.303 4.470 -0.009 0.000 0.280 147 S C -1.157 173.279 174.600 -0.274 0.000 1.174 147 S CA -0.897 57.135 58.200 -0.279 0.000 0.823 147 S CB 1.592 64.627 63.200 -0.275 0.000 1.162 147 S HN 0.773 nan 8.310 nan 0.000 0.487 148 I N -1.645 118.816 120.570 -0.183 0.000 3.445 148 I HA 0.671 4.835 4.170 -0.009 0.000 0.303 148 I C -1.258 174.764 176.117 -0.159 0.000 1.129 148 I CA -1.337 59.814 61.300 -0.249 0.000 0.989 148 I CB 1.295 39.224 38.000 -0.119 0.000 1.314 148 I HN 0.553 nan 8.210 nan 0.000 0.488 149 F N 1.082 121.014 119.950 -0.029 0.000 2.384 149 F HA 0.584 5.105 4.527 -0.010 0.000 0.338 149 F C 0.931 176.599 175.800 -0.221 0.000 1.103 149 F CA -0.383 57.556 58.000 -0.101 0.000 1.157 149 F CB 1.256 40.165 39.000 -0.153 0.000 1.167 149 F HN 0.699 nan 8.300 nan 0.000 0.529 150 K N 1.987 122.231 120.400 -0.259 0.000 2.109 150 K HA 0.808 5.122 4.320 -0.009 0.000 0.243 150 K C 0.582 177.082 176.600 -0.166 0.000 1.006 150 K CA -0.235 55.806 56.287 -0.411 0.000 0.917 150 K CB 0.516 32.468 32.500 -0.913 0.000 1.081 150 K HN 1.282 nan 8.250 nan 0.000 0.468 151 G N -2.104 106.627 108.800 -0.115 0.000 2.593 151 G HA2 0.249 4.204 3.960 -0.009 0.000 0.237 151 G HA3 0.249 4.204 3.960 -0.009 0.000 0.237 151 G C 0.610 175.498 174.900 -0.020 0.000 1.312 151 G CA 0.501 45.569 45.100 -0.053 0.000 0.896 151 G HN 2.112 nan 8.290 nan 0.000 0.574 152 V N 0.779 120.688 119.914 -0.008 0.000 2.599 152 V HA 0.495 4.609 4.120 -0.009 0.000 0.300 152 V C 1.302 177.416 176.094 0.034 0.000 1.034 152 V CA 0.779 63.088 62.300 0.015 0.000 1.115 152 V CB 0.453 32.286 31.823 0.016 0.000 0.934 152 V HN 1.506 nan 8.190 nan 0.000 0.485 153 I N 4.539 125.149 120.570 0.066 0.000 2.638 153 I HA 0.627 4.791 4.170 -0.009 0.000 0.286 153 I C 0.946 177.154 176.117 0.152 0.000 1.088 153 I CA 0.980 62.355 61.300 0.126 0.000 1.397 153 I CB 1.149 39.227 38.000 0.131 0.000 1.414 153 I HN 1.400 nan 8.210 nan 0.000 0.566 154 G N 6.113 115.073 108.800 0.267 0.000 2.167 154 G HA2 -0.208 3.747 3.960 -0.009 0.000 0.194 154 G HA3 -0.208 3.747 3.960 -0.009 0.000 0.194 154 G C 0.053 175.066 174.900 0.187 0.000 1.027 154 G CA 0.094 45.320 45.100 0.210 0.000 0.717 154 G HN 1.042 nan 8.290 nan 0.000 0.501 155 R N -0.459 120.175 120.500 0.223 0.000 2.652 155 R HA 0.670 5.005 4.340 -0.009 0.000 0.271 155 R C 0.198 176.547 176.300 0.082 0.000 1.129 155 R CA 0.136 56.266 56.100 0.050 0.000 1.200 155 R CB 0.408 30.624 30.300 -0.140 0.000 1.146 155 R HN 0.294 nan 8.270 nan 0.000 0.581 156 D N -0.517 119.871 120.400 -0.021 0.000 2.506 156 D HA 0.167 4.802 4.640 -0.009 0.000 0.254 156 D C 0.866 177.114 176.300 -0.085 0.000 1.089 156 D CA -0.904 53.093 54.000 -0.006 0.000 1.050 156 D CB 0.679 41.473 40.800 -0.010 0.000 1.221 156 D HN 0.428 nan 8.370 nan 0.000 0.589 157 L N -0.140 121.052 121.223 -0.051 0.000 2.217 157 L HA -0.099 4.235 4.340 -0.009 0.000 0.211 157 L C 2.334 179.135 176.870 -0.116 0.000 1.107 157 L CA 1.312 56.101 54.840 -0.085 0.000 0.783 157 L CB -0.496 41.545 42.059 -0.031 0.000 0.919 157 L HN 0.579 nan 8.230 nan 0.000 0.442 158 S N -0.819 114.827 115.700 -0.089 0.000 2.368 158 S HA -0.228 4.236 4.470 -0.009 0.000 0.224 158 S C 1.639 176.166 174.600 -0.122 0.000 1.029 158 S CA 1.490 59.639 58.200 -0.084 0.000 0.988 158 S CB -0.320 62.847 63.200 -0.055 0.000 0.838 158 S HN 0.363 nan 8.310 nan 0.000 0.462 159 D N 1.114 121.423 120.400 -0.152 0.000 2.144 159 D HA 0.042 4.677 4.640 -0.009 0.000 0.199 159 D C 1.784 177.886 176.300 -0.330 0.000 0.984 159 D CA 1.308 55.191 54.000 -0.196 0.000 0.834 159 D CB -0.254 40.428 40.800 -0.196 0.000 0.955 159 D HN 0.518 nan 8.370 nan 0.000 0.465 160 I N 0.271 120.557 120.570 -0.475 0.000 2.202 160 I HA -0.225 3.939 4.170 -0.009 0.000 0.242 160 I C 2.298 178.189 176.117 -0.378 0.000 1.091 160 I CA 0.972 61.820 61.300 -0.753 0.000 1.368 160 I CB -0.128 37.424 38.000 -0.747 0.000 1.058 160 I HN -0.044 nan 8.210 nan 0.000 0.410 161 K N 0.725 120.980 120.400 -0.242 0.000 2.032 161 K HA -0.231 4.083 4.320 -0.009 0.000 0.209 161 K C 2.011 178.555 176.600 -0.094 0.000 1.048 161 K CA 1.851 58.051 56.287 -0.145 0.000 0.927 161 K CB -0.206 32.234 32.500 -0.101 0.000 0.712 161 K HN 0.409 nan 8.250 nan 0.000 0.441 162 E N 0.672 120.821 120.200 -0.085 0.000 2.077 162 E HA -0.211 4.134 4.350 -0.009 0.000 0.193 162 E C 2.165 178.762 176.600 -0.005 0.000 0.989 162 E CA 1.047 57.422 56.400 -0.041 0.000 0.800 162 E CB -0.028 29.649 29.700 -0.039 0.000 0.746 162 E HN 0.349 nan 8.360 nan 0.000 0.452 163 Q N 0.356 120.162 119.800 0.011 0.000 2.230 163 Q HA -0.056 4.278 4.340 -0.009 0.000 0.202 163 Q C 2.299 178.381 176.000 0.136 0.000 0.963 163 Q CA 0.627 56.508 55.803 0.131 0.000 0.866 163 Q CB 0.064 28.964 28.738 0.270 0.000 0.931 163 Q HN 0.316 nan 8.270 nan 0.000 0.452 164 L N 0.082 121.359 121.223 0.091 0.000 2.056 164 L HA -0.168 4.167 4.340 -0.009 0.000 0.207 164 L C 2.658 179.519 176.870 -0.015 0.000 1.078 164 L CA 1.103 55.949 54.840 0.010 0.000 0.749 164 L CB -0.349 41.652 42.059 -0.097 0.000 0.901 164 L HN 0.178 nan 8.230 nan 0.000 0.433 165 R N -0.219 120.273 120.500 -0.013 0.000 2.070 165 R HA -0.177 4.157 4.340 -0.009 0.000 0.233 165 R C 2.407 178.707 176.300 0.000 0.000 1.137 165 R CA 1.429 57.525 56.100 -0.008 0.000 0.945 165 R CB -0.086 30.207 30.300 -0.011 0.000 0.845 165 R HN 0.353 nan 8.270 nan 0.000 0.430 166 Q N 0.405 120.209 119.800 0.006 0.000 2.077 166 Q HA -0.246 4.089 4.340 -0.009 0.000 0.206 166 Q C 2.100 178.089 176.000 -0.018 0.000 0.989 166 Q CA 1.877 57.681 55.803 0.002 0.000 0.853 166 Q CB -0.233 28.518 28.738 0.022 0.000 0.907 166 Q HN 0.600 nan 8.270 nan 0.000 0.418 167 Q N -0.118 119.668 119.800 -0.022 0.000 2.123 167 Q HA -0.001 4.333 4.340 -0.009 0.000 0.199 167 Q C 2.127 178.113 176.000 -0.023 0.000 0.966 167 Q CA 0.987 56.756 55.803 -0.057 0.000 0.845 167 Q CB -0.111 28.573 28.738 -0.091 0.000 0.907 167 Q HN 0.380 nan 8.270 nan 0.000 0.439 168 A N 1.111 123.933 122.820 0.004 0.000 1.877 168 A HA -0.155 4.159 4.320 -0.009 0.000 0.216 168 A C 2.022 179.672 177.584 0.111 0.000 1.186 168 A CA 1.106 53.185 52.037 0.069 0.000 0.620 168 A CB -0.709 18.314 19.000 0.038 0.000 0.822 168 A HN 0.294 nan 8.150 nan 0.000 0.443 169 L N -0.679 120.568 121.223 0.041 0.000 2.275 169 L HA -0.088 4.246 4.340 -0.009 0.000 0.215 169 L C 2.442 179.295 176.870 -0.029 0.000 1.119 169 L CA 0.770 55.620 54.840 0.016 0.000 0.790 169 L CB -0.505 41.553 42.059 -0.001 0.000 0.919 169 L HN 0.512 nan 8.230 nan 0.000 0.443 170 G N -1.232 107.543 108.800 -0.042 0.000 2.920 170 G HA2 0.236 4.190 3.960 -0.009 0.000 0.208 170 G HA3 0.236 4.190 3.960 -0.009 0.000 0.208 170 G C 1.252 176.079 174.900 -0.120 0.000 1.159 170 G CA 0.508 45.560 45.100 -0.081 0.000 0.784 170 G HN 0.491 nan 8.290 nan 0.000 0.535 171 G N -1.125 107.582 108.800 -0.156 0.000 2.175 171 G HA2 -0.251 3.703 3.960 -0.009 0.000 0.244 171 G HA3 -0.251 3.703 3.960 -0.009 0.000 0.244 171 G C 0.351 175.182 174.900 -0.115 0.000 0.982 171 G CA 0.028 44.875 45.100 -0.423 0.000 0.641 171 G HN 0.656 nan 8.290 nan 0.000 0.527 172 V N 1.576 121.506 119.914 0.027 0.000 2.673 172 V HA 0.163 4.277 4.120 -0.009 0.000 0.303 172 V C 1.358 177.538 176.094 0.143 0.000 1.046 172 V CA 0.902 63.205 62.300 0.005 0.000 1.126 172 V CB 1.144 32.911 31.823 -0.094 0.000 0.934 172 V HN 0.334 nan 8.190 nan 0.000 0.487 173 D N 3.144 123.551 120.400 0.012 0.000 2.216 173 D HA 0.139 4.773 4.640 -0.009 0.000 0.208 173 D C 0.015 176.226 176.300 -0.149 0.000 0.960 173 D CA 0.976 54.945 54.000 -0.052 0.000 0.861 173 D CB 0.498 41.249 40.800 -0.081 0.000 0.985 173 D HN 0.328 nan 8.370 nan 0.000 0.493 174 L N 0.550 121.659 121.223 -0.190 0.000 2.431 174 L HA 0.470 4.804 4.340 -0.009 0.000 0.266 174 L C -0.724 175.994 176.870 -0.254 0.000 0.978 174 L CA -0.502 54.198 54.840 -0.233 0.000 0.822 174 L CB 2.884 44.750 42.059 -0.323 0.000 1.310 174 L HN -0.248 nan 8.230 nan 0.000 0.409 175 I N 2.294 122.726 120.570 -0.229 0.000 2.498 175 I HA 0.515 4.679 4.170 -0.009 0.000 0.290 175 I C -0.620 175.347 176.117 -0.250 0.000 1.032 175 I CA -0.683 60.431 61.300 -0.311 0.000 1.073 175 I CB 2.093 39.870 38.000 -0.371 0.000 1.251 175 I HN 0.646 nan 8.210 nan 0.000 0.426 176 K N 3.552 123.739 120.400 -0.354 0.000 2.267 176 K HA 0.560 4.874 4.320 -0.009 0.000 0.246 176 K C -1.136 175.338 176.600 -0.210 0.000 0.954 176 K CA -0.887 55.265 56.287 -0.226 0.000 0.824 176 K CB 2.028 34.404 32.500 -0.207 0.000 1.167 176 K HN 0.266 nan 8.250 nan 0.000 0.431 177 D N 1.405 121.820 120.400 0.024 0.000 2.384 177 D HA 0.096 4.730 4.640 -0.009 0.000 0.244 177 D C -0.611 175.714 176.300 0.041 0.000 1.251 177 D CA 0.134 54.224 54.000 0.151 0.000 0.961 177 D CB 0.697 41.581 40.800 0.139 0.000 1.116 177 D HN 0.466 nan 8.370 nan 0.000 0.484 178 D N 0.188 120.624 120.400 0.061 0.000 2.304 178 D HA 0.005 4.639 4.640 -0.009 0.000 0.247 178 D C 1.404 177.670 176.300 -0.056 0.000 1.089 178 D CA -0.286 53.726 54.000 0.020 0.000 0.910 178 D CB 0.784 41.624 40.800 0.067 0.000 1.199 178 D HN 0.275 nan 8.370 nan 0.000 0.426 179 E N 2.106 122.193 120.200 -0.189 0.000 2.338 179 E HA -0.151 4.193 4.350 -0.009 0.000 0.197 179 E C 1.354 177.721 176.600 -0.390 0.000 1.007 179 E CA 0.833 57.028 56.400 -0.341 0.000 0.849 179 E CB -0.336 28.903 29.700 -0.768 0.000 0.774 179 E HN 0.732 nan 8.360 nan 0.000 0.506 180 I N -2.649 117.737 120.570 -0.306 0.000 3.855 180 I HA 0.327 4.491 4.170 -0.009 0.000 0.327 180 I C 0.097 175.850 176.117 -0.606 0.000 1.359 180 I CA -0.685 60.366 61.300 -0.415 0.000 1.142 180 I CB -0.508 37.499 38.000 0.011 0.000 1.041 180 I HN -0.228 nan 8.210 nan 0.000 0.403 181 F N 3.022 122.604 119.950 -0.614 0.000 2.423 181 F HA 0.498 5.021 4.527 -0.008 0.000 0.356 181 F C -0.376 175.128 175.800 -0.494 0.000 1.170 181 F CA -0.536 57.247 58.000 -0.362 0.000 1.163 181 F CB 0.195 39.118 39.000 -0.128 0.000 1.318 181 F HN -0.126 nan 8.300 nan 0.000 0.569 182 F N 2.251 121.994 119.950 -0.344 0.000 2.461 182 F HA 0.340 4.864 4.527 -0.006 0.000 0.332 182 F C 0.638 176.211 175.800 -0.378 0.000 1.073 182 F CA -1.149 56.702 58.000 -0.250 0.000 1.017 182 F CB 0.327 39.238 39.000 -0.148 0.000 1.301 182 F HN 0.153 nan 8.300 nan 0.000 0.492 183 E N 1.236 121.450 120.200 0.024 0.000 2.493 183 E HA 0.040 4.385 4.350 -0.009 0.000 0.255 183 E C -0.001 176.556 176.600 -0.072 0.000 0.999 183 E CA 0.272 56.656 56.400 -0.027 0.000 0.934 183 E CB 0.450 30.166 29.700 0.026 0.000 0.940 183 E HN 0.597 nan 8.360 nan 0.000 0.473 184 T N -0.055 114.441 114.554 -0.098 0.000 2.887 184 T HA 0.549 4.893 4.350 -0.009 0.000 0.292 184 T C 1.042 175.740 174.700 -0.003 0.000 1.087 184 T CA -0.135 61.923 62.100 -0.070 0.000 1.009 184 T CB 1.476 70.267 68.868 -0.128 0.000 1.203 184 T HN 0.298 nan 8.240 nan 0.000 0.518 185 G N 0.857 109.661 108.800 0.006 0.000 2.623 185 G HA2 0.094 4.048 3.960 -0.009 0.000 0.214 185 G HA3 0.094 4.048 3.960 -0.009 0.000 0.214 185 G C 1.189 176.111 174.900 0.036 0.000 1.138 185 G CA 0.137 45.250 45.100 0.022 0.000 0.794 185 G HN 0.527 nan 8.290 nan 0.000 0.535 186 L N 0.338 121.588 121.223 0.045 0.000 2.102 186 L HA 0.285 4.619 4.340 -0.009 0.000 0.202 186 L C 1.946 178.874 176.870 0.096 0.000 1.076 186 L CA 1.424 56.302 54.840 0.063 0.000 0.761 186 L CB -0.728 41.372 42.059 0.069 0.000 0.921 186 L HN 0.252 nan 8.230 nan 0.000 0.444 187 A N 0.720 123.637 122.820 0.162 0.000 3.105 187 A HA 0.404 4.719 4.320 -0.009 0.000 0.297 187 A C -2.302 175.434 177.584 0.253 0.000 0.977 187 A CA -1.076 51.103 52.037 0.238 0.000 1.020 187 A CB -0.421 18.836 19.000 0.427 0.000 1.098 187 A HN 0.026 nan 8.150 nan 0.000 0.497 188 P HA -0.072 nan 4.420 nan 0.000 0.265 188 P C 0.904 178.343 177.300 0.231 0.000 1.187 188 P CA 0.063 63.265 63.100 0.170 0.000 0.766 188 P CB 0.425 32.196 31.700 0.118 0.000 0.820 189 F N 3.350 123.358 119.950 0.097 0.000 2.039 189 F HA -0.324 4.199 4.527 -0.007 0.000 0.296 189 F C 2.188 178.026 175.800 0.064 0.000 1.119 189 F CA 2.114 60.166 58.000 0.087 0.000 1.211 189 F CB -0.309 38.726 39.000 0.059 0.000 0.956 189 F HN 0.396 nan 8.300 nan 0.000 0.496 190 E N -0.881 119.366 120.200 0.078 0.000 2.110 190 E HA -0.218 4.126 4.350 -0.009 0.000 0.193 190 E C 2.168 178.732 176.600 -0.060 0.000 0.988 190 E CA 1.870 58.227 56.400 -0.071 0.000 0.804 190 E CB -0.317 29.421 29.700 0.063 0.000 0.745 190 E HN 0.641 nan 8.360 nan 0.000 0.458 191 T N -0.303 114.260 114.554 0.014 0.000 2.951 191 T HA -0.115 4.229 4.350 -0.009 0.000 0.268 191 T C 1.871 176.582 174.700 0.018 0.000 1.073 191 T CA 0.873 62.983 62.100 0.017 0.000 1.134 191 T CB -0.258 68.633 68.868 0.038 0.000 0.884 191 T HN 0.200 nan 8.240 nan 0.000 0.479 192 R N 0.637 121.161 120.500 0.039 0.000 2.236 192 R HA 0.290 4.624 4.340 -0.009 0.000 0.208 192 R C 2.120 178.491 176.300 0.118 0.000 1.036 192 R CA 0.582 56.739 56.100 0.096 0.000 1.001 192 R CB -0.680 29.727 30.300 0.179 0.000 0.896 192 R HN 0.367 nan 8.270 nan 0.000 0.464 193 I N 1.542 122.074 120.570 -0.063 0.000 2.233 193 I HA -0.133 4.032 4.170 -0.009 0.000 0.243 193 I C 2.671 178.772 176.117 -0.026 0.000 1.093 193 I CA 1.168 62.398 61.300 -0.117 0.000 1.380 193 I CB -0.335 37.471 38.000 -0.324 0.000 1.067 193 I HN 0.309 nan 8.210 nan 0.000 0.413 194 A N 0.560 123.356 122.820 -0.040 0.000 1.858 194 A HA -0.202 4.112 4.320 -0.009 0.000 0.216 194 A C 2.235 179.819 177.584 0.001 0.000 1.190 194 A CA 1.535 53.560 52.037 -0.019 0.000 0.617 194 A CB -0.511 18.478 19.000 -0.019 0.000 0.827 194 A HN 0.327 nan 8.150 nan 0.000 0.443 195 E N -0.443 119.762 120.200 0.007 0.000 2.058 195 E HA -0.160 4.185 4.350 -0.009 0.000 0.194 195 E C 2.214 178.810 176.600 -0.007 0.000 0.997 195 E CA 1.343 57.741 56.400 -0.003 0.000 0.801 195 E CB -0.914 28.779 29.700 -0.012 0.000 0.746 195 E HN 0.574 nan 8.360 nan 0.000 0.450 196 G N 2.111 110.926 108.800 0.025 0.000 2.422 196 G HA2 -0.329 3.625 3.960 -0.009 0.000 0.218 196 G HA3 -0.329 3.625 3.960 -0.009 0.000 0.218 196 G C 1.635 176.553 174.900 0.032 0.000 1.146 196 G CA 1.461 46.560 45.100 -0.002 0.000 0.769 196 G HN 0.364 nan 8.290 nan 0.000 0.547 197 K N -0.297 120.135 120.400 0.053 0.000 2.147 197 K HA -0.049 4.266 4.320 -0.009 0.000 0.205 197 K C 2.295 178.896 176.600 0.002 0.000 1.049 197 K CA 1.458 57.757 56.287 0.020 0.000 0.936 197 K CB -0.193 32.306 32.500 -0.001 0.000 0.722 197 K HN 0.184 nan 8.250 nan 0.000 0.446 198 Q N 0.684 120.484 119.800 0.000 0.000 2.046 198 Q HA -0.051 4.284 4.340 -0.009 0.000 0.200 198 Q C 2.121 178.121 176.000 -0.001 0.000 0.975 198 Q CA 1.278 57.081 55.803 -0.001 0.000 0.836 198 Q CB -0.102 28.634 28.738 -0.004 0.000 0.896 198 Q HN 0.397 nan 8.270 nan 0.000 0.428 199 I N 0.911 121.473 120.570 -0.013 0.000 2.163 199 I HA -0.283 3.881 4.170 -0.009 0.000 0.243 199 I C 2.359 178.473 176.117 -0.004 0.000 1.085 199 I CA 1.208 62.498 61.300 -0.018 0.000 1.347 199 I CB -1.217 36.757 38.000 -0.045 0.000 1.044 199 I HN 0.204 nan 8.210 nan 0.000 0.408 200 L N 0.058 121.277 121.223 -0.007 0.000 2.217 200 L HA -0.138 4.196 4.340 -0.009 0.000 0.211 200 L C 2.518 179.412 176.870 0.040 0.000 1.107 200 L CA 0.754 55.596 54.840 0.004 0.000 0.783 200 L CB -0.548 41.499 42.059 -0.020 0.000 0.919 200 L HN 0.267 nan 8.230 nan 0.000 0.442 201 K N 0.845 121.264 120.400 0.032 0.000 2.057 201 K HA -0.185 4.129 4.320 -0.009 0.000 0.206 201 K C 1.839 178.500 176.600 0.103 0.000 1.050 201 K CA 1.368 57.691 56.287 0.061 0.000 0.935 201 K CB 0.136 32.655 32.500 0.032 0.000 0.715 201 K HN 0.323 nan 8.250 nan 0.000 0.439 202 E N -0.298 119.937 120.200 0.058 0.000 2.047 202 E HA -0.139 4.205 4.350 -0.009 0.000 0.191 202 E C 1.952 178.579 176.600 0.045 0.000 0.987 202 E CA 1.841 58.267 56.400 0.044 0.000 0.799 202 E CB -0.041 29.671 29.700 0.020 0.000 0.752 202 E HN 0.532 nan 8.360 nan 0.000 0.449 203 T N -1.181 113.403 114.554 0.051 0.000 2.833 203 T HA -0.230 4.114 4.350 -0.009 0.000 0.269 203 T C 1.869 176.612 174.700 0.072 0.000 1.054 203 T CA 1.104 63.234 62.100 0.049 0.000 1.135 203 T CB -0.488 68.410 68.868 0.050 0.000 0.869 203 T HN 0.294 nan 8.240 nan 0.000 0.466 204 Y N 1.983 122.274 120.300 -0.014 0.000 2.220 204 Y HA 0.051 4.595 4.550 -0.009 0.000 0.291 204 Y C 2.367 178.267 175.900 0.000 0.000 1.129 204 Y CA 1.492 59.583 58.100 -0.015 0.000 1.161 204 Y CB -0.145 38.292 38.460 -0.039 0.000 0.997 204 Y HN 0.237 nan 8.280 nan 0.000 0.522 205 E N -0.200 119.954 120.200 -0.076 0.000 2.268 205 E HA -0.234 4.111 4.350 -0.009 0.000 0.195 205 E C 1.821 178.338 176.600 -0.138 0.000 0.995 205 E CA 1.010 57.326 56.400 -0.141 0.000 0.836 205 E CB -0.013 29.690 29.700 0.006 0.000 0.763 205 E HN 0.577 nan 8.360 nan 0.000 0.491 206 Q N -0.569 119.177 119.800 -0.090 0.000 2.319 206 Q HA 0.011 4.346 4.340 -0.009 0.000 0.202 206 Q C 1.201 177.159 176.000 -0.071 0.000 0.896 206 Q CA 0.722 56.487 55.803 -0.063 0.000 0.942 206 Q CB 0.680 29.402 28.738 -0.027 0.000 1.083 206 Q HN 0.070 nan 8.270 nan 0.000 0.510 207 T N -2.945 111.546 114.554 -0.105 0.000 3.073 207 T HA 0.226 4.571 4.350 -0.009 0.000 0.264 207 T C 0.803 175.438 174.700 -0.108 0.000 0.893 207 T CA 0.951 63.010 62.100 -0.069 0.000 0.863 207 T CB 0.414 69.285 68.868 0.006 0.000 1.247 207 T HN 0.426 nan 8.240 nan 0.000 0.546 208 G N 1.407 110.030 108.800 -0.295 0.000 2.205 208 G HA2 -0.249 3.705 3.960 -0.009 0.000 0.261 208 G HA3 -0.249 3.705 3.960 -0.009 0.000 0.261 208 G C -0.099 174.772 174.900 -0.049 0.000 0.980 208 G CA 0.684 45.554 45.100 -0.383 0.000 0.632 208 G HN 0.868 nan 8.290 nan 0.000 0.533 209 H N 0.720 119.783 119.070 -0.011 0.000 2.562 209 H HA 0.689 5.240 4.556 -0.009 0.000 0.314 209 H C 0.216 175.708 175.328 0.274 0.000 1.079 209 H CA -0.246 55.869 56.048 0.113 0.000 1.349 209 H CB 0.896 30.678 29.762 0.035 0.000 1.432 209 H HN 0.260 nan 8.280 nan 0.000 0.479 210 K N 3.018 123.309 120.400 -0.182 0.000 2.130 210 K HA 0.390 4.705 4.320 -0.009 0.000 0.268 210 K C -0.894 175.383 176.600 -0.539 0.000 0.983 210 K CA -0.441 55.703 56.287 -0.240 0.000 0.893 210 K CB 0.824 33.178 32.500 -0.243 0.000 1.066 210 K HN 0.831 nan 8.250 nan 0.000 0.450 211 T N 1.357 115.714 114.554 -0.328 0.000 2.912 211 T HA 0.514 4.858 4.350 -0.009 0.000 0.299 211 T C -0.680 173.924 174.700 -0.159 0.000 1.052 211 T CA -0.988 60.958 62.100 -0.257 0.000 0.996 211 T CB 0.644 69.411 68.868 -0.168 0.000 1.070 211 T HN 0.365 nan 8.240 nan 0.000 0.465 212 L N 2.791 123.929 121.223 -0.141 0.000 2.331 212 L HA 0.554 4.888 4.340 -0.009 0.000 0.275 212 L C -1.026 175.823 176.870 -0.034 0.000 1.022 212 L CA -1.347 53.433 54.840 -0.101 0.000 0.812 212 L CB 1.529 43.511 42.059 -0.128 0.000 1.257 212 L HN 0.699 nan 8.230 nan 0.000 0.435 213 Y N 2.503 122.708 120.300 -0.159 0.000 2.356 213 Y HA 0.607 5.152 4.550 -0.009 0.000 0.334 213 Y C -0.242 175.570 175.900 -0.146 0.000 0.958 213 Y CA -1.768 56.247 58.100 -0.143 0.000 1.196 213 Y CB 1.279 39.691 38.460 -0.080 0.000 1.137 213 Y HN 0.543 nan 8.280 nan 0.000 0.485 214 A N 6.937 129.641 122.820 -0.194 0.000 2.279 214 A HA 0.615 4.929 4.320 -0.009 0.000 0.306 214 A C -0.972 176.345 177.584 -0.445 0.000 1.300 214 A CA -0.509 51.331 52.037 -0.327 0.000 0.925 214 A CB -0.242 18.584 19.000 -0.289 0.000 1.152 214 A HN 0.525 nan 8.150 nan 0.000 0.544 215 V N 3.307 122.920 119.914 -0.502 0.000 2.509 215 V HA 0.136 4.251 4.120 -0.009 0.000 0.284 215 V C 0.556 176.654 176.094 0.008 0.000 1.047 215 V CA -0.803 61.281 62.300 -0.360 0.000 0.952 215 V CB 1.372 32.930 31.823 -0.442 0.000 0.988 215 V HN 0.921 nan 8.190 nan 0.000 0.469 216 N N 4.171 122.938 118.700 0.111 0.000 2.452 216 N HA 0.090 4.824 4.740 -0.009 0.000 0.266 216 N C -0.717 174.908 175.510 0.192 0.000 1.175 216 N CA -0.071 53.057 53.050 0.131 0.000 0.945 216 N CB 0.559 39.097 38.487 0.085 0.000 1.063 216 N HN 0.597 nan 8.380 nan 0.000 0.472 217 L N 4.711 126.018 121.223 0.140 0.000 2.277 217 L HA 0.425 4.760 4.340 -0.009 0.000 0.284 217 L C -0.122 176.768 176.870 0.034 0.000 1.028 217 L CA -0.074 54.762 54.840 -0.006 0.000 0.835 217 L CB -0.141 41.940 42.059 0.037 0.000 1.215 217 L HN 0.803 nan 8.230 nan 0.000 0.425 218 T N 1.266 115.797 114.554 -0.039 0.000 2.724 218 T HA 0.960 5.304 4.350 -0.009 0.000 0.274 218 T C 0.185 174.958 174.700 0.120 0.000 0.984 218 T CA -0.061 62.141 62.100 0.170 0.000 1.024 218 T CB 2.055 71.121 68.868 0.330 0.000 1.320 218 T HN 1.140 nan 8.240 nan 0.000 0.555 219 G N 0.228 109.173 108.800 0.242 0.000 2.409 219 G HA2 0.140 4.094 3.960 -0.009 0.000 0.421 219 G HA3 0.140 4.094 3.960 -0.009 0.000 0.421 219 G C -1.192 173.838 174.900 0.218 0.000 1.259 219 G CA -0.998 44.186 45.100 0.140 0.000 1.011 219 G HN 0.793 nan 8.290 nan 0.000 0.497 220 R N -0.055 120.521 120.500 0.127 0.000 2.594 220 R HA 0.425 4.760 4.340 -0.009 0.000 0.272 220 R C 1.853 178.277 176.300 0.206 0.000 1.074 220 R CA 0.401 56.583 56.100 0.136 0.000 1.105 220 R CB -0.078 30.259 30.300 0.061 0.000 1.008 220 R HN 0.675 nan 8.270 nan 0.000 0.472 221 T N 1.871 116.579 114.554 0.257 0.000 2.737 221 T HA -0.219 4.125 4.350 -0.009 0.000 0.269 221 T C 1.696 176.469 174.700 0.123 0.000 1.040 221 T CA 2.068 64.327 62.100 0.265 0.000 1.142 221 T CB -0.015 69.002 68.868 0.249 0.000 0.861 221 T HN 0.713 nan 8.240 nan 0.000 0.456 222 A N 1.429 124.300 122.820 0.086 0.000 2.066 222 A HA -0.067 4.247 4.320 -0.009 0.000 0.218 222 A C 1.826 179.427 177.584 0.027 0.000 1.157 222 A CA 1.178 53.244 52.037 0.047 0.000 0.670 222 A CB -0.181 18.842 19.000 0.038 0.000 0.804 222 A HN 0.378 nan 8.150 nan 0.000 0.453 223 D N -0.450 119.967 120.400 0.028 0.000 2.360 223 D HA 0.119 4.753 4.640 -0.009 0.000 0.210 223 D C 1.716 178.000 176.300 -0.028 0.000 1.047 223 D CA 0.075 54.076 54.000 0.003 0.000 0.854 223 D CB 0.069 40.870 40.800 0.002 0.000 0.936 223 D HN 0.424 nan 8.370 nan 0.000 0.514 224 L N 0.887 122.090 121.223 -0.033 0.000 2.017 224 L HA -0.167 4.167 4.340 -0.009 0.000 0.208 224 L C 2.556 179.363 176.870 -0.105 0.000 1.073 224 L CA 1.214 55.994 54.840 -0.100 0.000 0.745 224 L CB -0.395 41.581 42.059 -0.139 0.000 0.894 224 L HN -0.060 nan 8.230 nan 0.000 0.432 225 K N 0.034 120.390 120.400 -0.074 0.000 2.074 225 K HA -0.237 4.077 4.320 -0.009 0.000 0.209 225 K C 1.670 178.250 176.600 -0.034 0.000 1.048 225 K CA 1.956 58.208 56.287 -0.059 0.000 0.926 225 K CB -0.028 32.451 32.500 -0.036 0.000 0.713 225 K HN 0.311 nan 8.250 nan 0.000 0.444 226 D N 0.424 120.811 120.400 -0.022 0.000 2.103 226 D HA -0.104 4.530 4.640 -0.009 0.000 0.199 226 D C 1.821 178.131 176.300 0.017 0.000 0.978 226 D CA 1.038 55.038 54.000 -0.000 0.000 0.829 226 D CB 0.044 40.846 40.800 0.004 0.000 0.981 226 D HN 0.280 nan 8.370 nan 0.000 0.464 227 K N 1.043 121.438 120.400 -0.009 0.000 2.057 227 K HA -0.054 4.260 4.320 -0.009 0.000 0.207 227 K C 2.200 178.878 176.600 0.131 0.000 1.049 227 K CA 1.065 57.367 56.287 0.025 0.000 0.931 227 K CB -0.111 32.260 32.500 -0.216 0.000 0.714 227 K HN 0.003 nan 8.250 nan 0.000 0.440 228 A N 2.082 124.921 122.820 0.032 0.000 1.877 228 A HA -0.180 4.135 4.320 -0.009 0.000 0.216 228 A C 2.188 179.806 177.584 0.057 0.000 1.186 228 A CA 1.352 53.419 52.037 0.050 0.000 0.620 228 A CB -0.464 18.502 19.000 -0.057 0.000 0.822 228 A HN 0.222 nan 8.150 nan 0.000 0.443 229 R N -1.264 119.255 120.500 0.032 0.000 2.096 229 R HA -0.143 4.192 4.340 -0.009 0.000 0.235 229 R C 2.442 178.769 176.300 0.045 0.000 1.127 229 R CA 1.601 57.718 56.100 0.029 0.000 0.968 229 R CB -0.242 30.068 30.300 0.017 0.000 0.861 229 R HN 0.460 nan 8.270 nan 0.000 0.440 230 R N 1.033 121.575 120.500 0.070 0.000 2.090 230 R HA -0.003 4.331 4.340 -0.009 0.000 0.228 230 R C 1.932 178.274 176.300 0.071 0.000 1.110 230 R CA 1.665 57.811 56.100 0.077 0.000 0.973 230 R CB -0.548 29.817 30.300 0.109 0.000 0.869 230 R HN 0.196 nan 8.270 nan 0.000 0.440 231 A N 0.465 123.355 122.820 0.117 0.000 1.902 231 A HA -0.022 4.293 4.320 -0.009 0.000 0.217 231 A C 2.390 179.960 177.584 -0.022 0.000 1.181 231 A CA 1.743 53.788 52.037 0.014 0.000 0.623 231 A CB -1.122 17.941 19.000 0.105 0.000 0.818 231 A HN 0.480 nan 8.150 nan 0.000 0.443 232 A N 1.034 123.862 122.820 0.013 0.000 1.865 232 A HA -0.236 4.078 4.320 -0.009 0.000 0.217 232 A C 1.931 179.514 177.584 -0.001 0.000 1.191 232 A CA 1.877 53.918 52.037 0.006 0.000 0.623 232 A CB -0.839 18.177 19.000 0.025 0.000 0.826 232 A HN 0.786 nan 8.150 nan 0.000 0.444 233 E N -0.140 120.064 120.200 0.006 0.000 2.472 233 E HA -0.032 4.313 4.350 -0.009 0.000 0.200 233 E C 1.357 177.952 176.600 -0.009 0.000 1.046 233 E CA 0.774 57.175 56.400 0.003 0.000 0.871 233 E CB -0.318 29.388 29.700 0.010 0.000 0.806 233 E HN 0.614 nan 8.360 nan 0.000 0.533 234 L N 0.033 121.241 121.223 -0.025 0.000 2.607 234 L HA 0.260 4.594 4.340 -0.009 0.000 0.228 234 L C 1.325 178.163 176.870 -0.053 0.000 1.123 234 L CA 0.410 55.225 54.840 -0.043 0.000 0.890 234 L CB 0.262 42.278 42.059 -0.071 0.000 1.103 234 L HN 0.481 nan 8.230 nan 0.000 0.468 235 G N 0.072 108.843 108.800 -0.049 0.000 2.175 235 G HA2 -0.267 3.688 3.960 -0.009 0.000 0.244 235 G HA3 -0.267 3.688 3.960 -0.009 0.000 0.244 235 G C 0.525 175.378 174.900 -0.077 0.000 0.982 235 G CA -0.055 45.014 45.100 -0.053 0.000 0.641 235 G HN 0.472 nan 8.290 nan 0.000 0.527 236 A N 0.267 123.022 122.820 -0.107 0.000 2.609 236 A HA 0.383 4.697 4.320 -0.009 0.000 0.232 236 A C 1.325 178.830 177.584 -0.131 0.000 1.041 236 A CA 1.323 53.270 52.037 -0.149 0.000 0.753 236 A CB 0.259 19.148 19.000 -0.184 0.000 0.966 236 A HN 0.303 nan 8.150 nan 0.000 0.510 237 D N 0.625 120.938 120.400 -0.145 0.000 2.240 237 D HA 0.334 4.969 4.640 -0.009 0.000 0.206 237 D C 0.641 176.838 176.300 -0.172 0.000 0.963 237 D CA 1.788 55.699 54.000 -0.149 0.000 0.863 237 D CB 0.125 40.855 40.800 -0.117 0.000 0.973 237 D HN 0.858 nan 8.370 nan 0.000 0.501 238 A N 0.027 122.746 122.820 -0.168 0.000 2.594 238 A HA 0.555 4.869 4.320 -0.009 0.000 0.296 238 A C -1.813 175.701 177.584 -0.118 0.000 1.056 238 A CA -0.658 51.306 52.037 -0.123 0.000 0.693 238 A CB 0.727 19.659 19.000 -0.114 0.000 1.278 238 A HN 0.036 nan 8.150 nan 0.000 0.408 239 L N 2.112 123.311 121.223 -0.040 0.000 2.294 239 L HA 0.471 4.805 4.340 -0.009 0.000 0.283 239 L C -0.436 176.461 176.870 0.046 0.000 1.015 239 L CA -0.780 54.062 54.840 0.003 0.000 0.831 239 L CB 1.437 43.506 42.059 0.016 0.000 1.217 239 L HN 0.725 nan 8.230 nan 0.000 0.420 240 L N 4.001 125.246 121.223 0.037 0.000 2.410 240 L HA 0.375 4.710 4.340 -0.009 0.000 0.273 240 L C -1.047 175.943 176.870 0.200 0.000 1.152 240 L CA 0.656 55.541 54.840 0.075 0.000 0.855 240 L CB 0.483 42.552 42.059 0.017 0.000 1.129 240 L HN 0.380 nan 8.230 nan 0.000 0.463 241 F N 4.730 124.685 119.950 0.008 0.000 2.562 241 F HA 0.440 4.962 4.527 -0.009 0.000 0.319 241 F C -0.260 175.564 175.800 0.040 0.000 1.154 241 F CA -0.922 57.066 58.000 -0.021 0.000 0.931 241 F CB 1.162 40.117 39.000 -0.075 0.000 1.198 241 F HN 0.476 nan 8.300 nan 0.000 0.444 242 N N 5.800 124.277 118.700 -0.372 0.000 2.895 242 N HA 0.025 4.760 4.740 -0.009 0.000 0.277 242 N C 1.436 176.662 175.510 -0.475 0.000 1.185 242 N CA 0.125 53.043 53.050 -0.220 0.000 1.106 242 N CB 1.156 39.606 38.487 -0.061 0.000 1.422 242 N HN 0.644 nan 8.380 nan 0.000 0.521 243 V N 1.200 120.792 119.914 -0.538 0.000 2.380 243 V HA -0.219 3.896 4.120 -0.009 0.000 0.251 243 V C 1.049 176.888 176.094 -0.426 0.000 1.063 243 V CA 1.813 63.785 62.300 -0.546 0.000 1.055 243 V CB -0.419 31.100 31.823 -0.507 0.000 0.657 243 V HN 0.461 nan 8.190 nan 0.000 0.455 244 F N -0.071 119.926 119.950 0.078 0.000 2.769 244 F HA 0.338 4.859 4.527 -0.011 0.000 0.304 244 F C 1.839 177.708 175.800 0.114 0.000 1.158 244 F CA 0.518 58.611 58.000 0.155 0.000 1.398 244 F CB -0.350 38.788 39.000 0.231 0.000 1.094 244 F HN 0.258 nan 8.300 nan 0.000 0.553 245 A N -1.766 121.110 122.820 0.094 0.000 2.229 245 A HA 0.145 4.459 4.320 -0.009 0.000 0.211 245 A C 1.140 178.592 177.584 -0.219 0.000 1.193 245 A CA 0.427 52.436 52.037 -0.047 0.000 0.879 245 A CB -0.184 18.747 19.000 -0.116 0.000 0.911 245 A HN 0.383 nan 8.150 nan 0.000 0.492 246 Y N -0.707 119.533 120.300 -0.099 0.000 2.609 246 Y HA 0.455 5.001 4.550 -0.006 0.000 0.281 246 Y C 1.251 177.169 175.900 0.030 0.000 1.132 246 Y CA 0.240 58.322 58.100 -0.030 0.000 1.264 246 Y CB 0.599 39.053 38.460 -0.011 0.000 1.325 246 Y HN 0.415 nan 8.280 nan 0.000 0.514 247 G N -0.401 108.510 108.800 0.184 0.000 2.535 247 G HA2 -0.090 3.864 3.960 -0.009 0.000 0.662 247 G HA3 -0.090 3.864 3.960 -0.009 0.000 0.662 247 G C -0.084 174.890 174.900 0.122 0.000 1.417 247 G CA -0.567 44.616 45.100 0.138 0.000 0.866 247 G HN 0.125 nan 8.290 nan 0.000 0.647 248 L N 0.440 121.717 121.223 0.090 0.000 2.079 248 L HA -0.051 4.283 4.340 -0.009 0.000 0.210 248 L C 2.588 179.514 176.870 0.093 0.000 1.081 248 L CA 2.151 57.034 54.840 0.072 0.000 0.752 248 L CB -0.196 41.920 42.059 0.095 0.000 0.896 248 L HN 0.803 nan 8.230 nan 0.000 0.433 249 D N -0.483 119.980 120.400 0.105 0.000 2.144 249 D HA -0.163 4.472 4.640 -0.009 0.000 0.199 249 D C 2.086 178.439 176.300 0.088 0.000 0.984 249 D CA 0.952 55.012 54.000 0.100 0.000 0.834 249 D CB 0.206 41.066 40.800 0.101 0.000 0.955 249 D HN 0.035 nan 8.370 nan 0.000 0.465 250 V N 0.552 120.539 119.914 0.120 0.000 2.343 250 V HA -0.244 3.870 4.120 -0.009 0.000 0.247 250 V C 2.485 178.604 176.094 0.041 0.000 1.051 250 V CA 1.915 64.287 62.300 0.119 0.000 1.036 250 V CB -0.593 31.378 31.823 0.246 0.000 0.654 250 V HN 0.388 nan 8.190 nan 0.000 0.451 251 M N -0.459 119.203 119.600 0.104 0.000 2.175 251 M HA -0.234 4.241 4.480 -0.009 0.000 0.264 251 M C 2.318 178.584 176.300 -0.056 0.000 1.063 251 M CA 1.881 57.165 55.300 -0.027 0.000 1.119 251 M CB -0.211 32.459 32.600 0.118 0.000 1.377 251 M HN 0.379 nan 8.290 nan 0.000 0.415 252 Q N -0.255 119.547 119.800 0.003 0.000 2.050 252 Q HA -0.150 4.185 4.340 -0.009 0.000 0.202 252 Q C 1.901 177.894 176.000 -0.013 0.000 0.980 252 Q CA 1.879 57.684 55.803 0.003 0.000 0.840 252 Q CB -0.431 28.331 28.738 0.041 0.000 0.898 252 Q HN 0.704 nan 8.270 nan 0.000 0.424 253 G N 0.641 109.433 108.800 -0.012 0.000 2.432 253 G HA2 -0.223 3.732 3.960 -0.009 0.000 0.219 253 G HA3 -0.223 3.732 3.960 -0.009 0.000 0.219 253 G C 1.261 176.129 174.900 -0.054 0.000 1.135 253 G CA 0.534 45.621 45.100 -0.021 0.000 0.767 253 G HN 0.248 nan 8.290 nan 0.000 0.550 254 L N 1.092 122.251 121.223 -0.106 0.000 2.044 254 L HA 0.222 4.556 4.340 -0.009 0.000 0.205 254 L C 3.175 179.993 176.870 -0.087 0.000 1.075 254 L CA 1.577 56.330 54.840 -0.146 0.000 0.747 254 L CB -1.061 40.816 42.059 -0.303 0.000 0.903 254 L HN 0.272 nan 8.230 nan 0.000 0.435 255 A N -0.978 121.801 122.820 -0.068 0.000 2.067 255 A HA -0.158 4.156 4.320 -0.009 0.000 0.219 255 A C 2.034 179.610 177.584 -0.013 0.000 1.158 255 A CA 1.271 53.292 52.037 -0.025 0.000 0.661 255 A CB -0.408 18.581 19.000 -0.019 0.000 0.801 255 A HN 0.548 nan 8.150 nan 0.000 0.452 256 E N -0.164 120.026 120.200 -0.017 0.000 2.442 256 E HA -0.035 4.310 4.350 -0.009 0.000 0.195 256 E C -0.224 176.369 176.600 -0.012 0.000 1.030 256 E CA -0.011 56.384 56.400 -0.009 0.000 0.869 256 E CB 0.073 29.772 29.700 -0.002 0.000 0.857 256 E HN 0.419 nan 8.360 nan 0.000 0.505 257 D N 1.821 122.211 120.400 -0.016 0.000 2.344 257 D HA 0.006 4.640 4.640 -0.009 0.000 0.253 257 D C -1.386 174.910 176.300 -0.006 0.000 1.255 257 D CA -2.400 51.592 54.000 -0.013 0.000 0.894 257 D CB 1.093 41.880 40.800 -0.021 0.000 1.067 257 D HN -0.076 nan 8.370 nan 0.000 0.492 258 P HA -0.137 nan 4.420 nan 0.000 0.221 258 P C 0.482 177.785 177.300 0.005 0.000 1.145 258 P CA 0.781 63.877 63.100 -0.006 0.000 0.795 258 P CB 0.509 32.203 31.700 -0.010 0.000 0.775 259 E N -0.410 119.794 120.200 0.006 0.000 2.494 259 E HA 0.119 4.463 4.350 -0.009 0.000 0.193 259 E C 0.884 177.497 176.600 0.021 0.000 1.074 259 E CA 0.106 56.513 56.400 0.012 0.000 0.867 259 E CB -0.151 29.554 29.700 0.008 0.000 0.924 259 E HN 0.471 nan 8.360 nan 0.000 0.502 260 I N 2.586 123.172 120.570 0.025 0.000 2.859 260 I HA 0.119 4.283 4.170 -0.009 0.000 0.296 260 I C -2.103 174.069 176.117 0.092 0.000 1.300 260 I CA -1.512 59.810 61.300 0.038 0.000 1.020 260 I CB 1.149 39.154 38.000 0.008 0.000 1.823 260 I HN -0.275 nan 8.210 nan 0.000 0.599 261 P HA 0.114 nan 4.420 nan 0.000 0.232 261 P C -0.375 177.130 177.300 0.342 0.000 1.738 261 P CA 0.317 63.565 63.100 0.247 0.000 0.948 261 P CB 0.114 31.918 31.700 0.174 0.000 1.943 262 V N 2.396 122.466 119.914 0.260 0.000 2.686 262 V HA 0.340 4.455 4.120 -0.009 0.000 0.306 262 V C -2.371 173.738 176.094 0.025 0.000 1.065 262 V CA -2.436 59.881 62.300 0.028 0.000 0.894 262 V CB 2.496 34.313 31.823 -0.011 0.000 1.004 262 V HN 0.037 nan 8.190 nan 0.000 0.424 263 P HA 0.288 nan 4.420 nan 0.000 0.269 263 P C -0.736 176.622 177.300 0.097 0.000 1.215 263 P CA 0.105 63.168 63.100 -0.060 0.000 0.780 263 P CB 0.560 32.151 31.700 -0.181 0.000 0.898 264 I N 2.553 123.222 120.570 0.164 0.000 2.362 264 I HA 0.367 4.531 4.170 -0.009 0.000 0.289 264 I C 0.309 176.617 176.117 0.317 0.000 0.994 264 I CA -0.607 60.789 61.300 0.161 0.000 1.158 264 I CB 1.325 39.367 38.000 0.069 0.000 1.315 264 I HN 0.237 nan 8.210 nan 0.000 0.451 265 M N 6.807 126.572 119.600 0.275 0.000 2.080 265 M HA 0.510 4.984 4.480 -0.009 0.000 0.350 265 M C -0.226 176.203 176.300 0.215 0.000 1.143 265 M CA -0.443 55.018 55.300 0.269 0.000 1.064 265 M CB 0.672 33.241 32.600 -0.052 0.000 1.429 265 M HN 0.699 nan 8.290 nan 0.000 0.418 266 A N 4.417 127.375 122.820 0.230 0.000 2.404 266 A HA 0.198 4.512 4.320 -0.009 0.000 0.273 266 A C -0.703 176.980 177.584 0.164 0.000 1.144 266 A CA -0.192 51.952 52.037 0.178 0.000 0.806 266 A CB -0.007 19.071 19.000 0.130 0.000 1.080 266 A HN 0.867 nan 8.150 nan 0.000 0.509 267 H N 5.063 124.175 119.070 0.070 0.000 2.458 267 H HA 0.334 4.885 4.556 -0.009 0.000 0.330 267 H C -2.016 173.406 175.328 0.156 0.000 1.111 267 H CA -1.882 54.216 56.048 0.082 0.000 1.245 267 H CB 2.130 31.913 29.762 0.035 0.000 1.456 267 H HN 0.429 nan 8.280 nan 0.000 0.488 268 P HA 0.026 nan 4.420 nan 0.000 0.247 268 P C 0.021 177.503 177.300 0.302 0.000 1.225 268 P CA -0.036 63.206 63.100 0.236 0.000 0.768 268 P CB -0.199 31.538 31.700 0.062 0.000 1.020 269 A N 0.557 123.699 122.820 0.535 0.000 2.580 269 A HA 0.165 4.480 4.320 -0.009 0.000 0.244 269 A C 1.444 179.159 177.584 0.218 0.000 1.045 269 A CA 0.676 52.923 52.037 0.350 0.000 0.761 269 A CB -0.566 18.578 19.000 0.241 0.000 0.962 269 A HN 0.123 nan 8.150 nan 0.000 0.512 270 V N 0.905 120.877 119.914 0.097 0.000 0.499 270 V HA -0.370 3.745 4.120 -0.009 0.000 0.071 270 V C 2.265 178.216 176.094 -0.237 0.000 2.785 270 V CA 2.748 65.060 62.300 0.020 0.000 3.791 270 V CB -2.606 29.295 31.823 0.130 0.000 1.149 270 V HN 1.708 nan 8.190 nan 0.000 1.156 271 S N 1.254 116.757 115.700 -0.328 0.000 2.419 271 S HA -0.102 4.362 4.470 -0.009 0.000 0.235 271 S C 1.911 175.949 174.600 -0.937 0.000 1.019 271 S CA 2.127 59.725 58.200 -1.003 0.000 0.982 271 S CB -0.725 61.983 63.200 -0.819 0.000 0.789 271 S HN 1.468 nan 8.310 nan 0.000 0.490 272 G N 1.390 109.933 108.800 -0.428 0.000 2.462 272 G HA2 0.047 4.002 3.960 -0.009 0.000 0.220 272 G HA3 0.047 4.002 3.960 -0.009 0.000 0.220 272 G C 1.559 176.301 174.900 -0.263 0.000 1.121 272 G CA 0.661 45.609 45.100 -0.253 0.000 0.758 272 G HN 0.829 nan 8.290 nan 0.000 0.559 273 A N 0.432 123.056 122.820 -0.327 0.000 2.125 273 A HA 0.218 4.532 4.320 -0.009 0.000 0.219 273 A C 1.510 179.115 177.584 0.034 0.000 1.156 273 A CA 1.312 53.285 52.037 -0.108 0.000 0.671 273 A CB -0.420 18.598 19.000 0.030 0.000 0.794 273 A HN 0.842 nan 8.150 nan 0.000 0.459 274 F N -3.085 116.870 119.950 0.008 0.000 2.837 274 F HA 0.321 4.842 4.527 -0.010 0.000 0.328 274 F C 0.885 176.735 175.800 0.083 0.000 1.173 274 F CA 0.257 58.313 58.000 0.094 0.000 1.160 274 F CB -0.375 38.728 39.000 0.172 0.000 1.115 274 F HN 0.035 nan 8.300 nan 0.000 0.512 275 T N -5.379 109.102 114.554 -0.122 0.000 3.051 275 T HA 0.122 4.466 4.350 -0.009 0.000 0.254 275 T C 1.560 176.072 174.700 -0.314 0.000 0.916 275 T CA 0.738 62.662 62.100 -0.294 0.000 0.894 275 T CB -0.261 68.205 68.868 -0.669 0.000 1.251 275 T HN 0.014 nan 8.240 nan 0.000 0.517 276 S N 2.119 117.749 115.700 -0.117 0.000 2.399 276 S HA 0.078 4.542 4.470 -0.009 0.000 0.231 276 S C 1.213 175.848 174.600 0.059 0.000 1.022 276 S CA 0.767 58.993 58.200 0.044 0.000 0.983 276 S CB -0.318 62.912 63.200 0.051 0.000 0.803 276 S HN 0.670 nan 8.310 nan 0.000 0.480 277 S N 2.433 118.179 115.700 0.077 0.000 2.531 277 S HA 0.144 4.608 4.470 -0.009 0.000 0.279 277 S C -1.362 173.243 174.600 0.007 0.000 1.305 277 S CA -1.524 56.753 58.200 0.129 0.000 1.058 277 S CB 0.968 64.352 63.200 0.307 0.000 0.899 277 S HN 0.126 nan 8.310 nan 0.000 0.493 278 P HA 0.035 nan 4.420 nan 0.000 0.229 278 P C 0.397 177.289 177.300 -0.679 0.000 1.160 278 P CA 0.922 63.723 63.100 -0.497 0.000 0.777 278 P CB -0.045 31.193 31.700 -0.769 0.000 0.814 279 F N -2.815 117.100 119.950 -0.058 0.000 2.727 279 F HA 0.275 4.796 4.527 -0.010 0.000 0.302 279 F C 0.983 176.548 175.800 -0.391 0.000 1.107 279 F CA -0.359 57.480 58.000 -0.268 0.000 1.277 279 F CB 0.031 38.765 39.000 -0.442 0.000 1.079 279 F HN -0.232 nan 8.300 nan 0.000 0.594 280 Y N -0.472 119.946 120.300 0.197 0.000 2.659 280 Y HA 0.667 5.212 4.550 -0.007 0.000 0.333 280 Y C 1.044 177.039 175.900 0.159 0.000 1.064 280 Y CA -1.010 57.199 58.100 0.181 0.000 1.141 280 Y CB 0.571 39.132 38.460 0.167 0.000 1.316 280 Y HN 0.055 nan 8.280 nan 0.000 0.509 281 G N 0.491 109.551 108.800 0.433 0.000 2.547 281 G HA2 -0.275 3.679 3.960 -0.009 0.000 0.271 281 G HA3 -0.275 3.679 3.960 -0.009 0.000 0.271 281 G C -1.032 173.877 174.900 0.016 0.000 1.209 281 G CA -0.045 45.277 45.100 0.370 0.000 0.959 281 G HN 0.447 nan 8.290 nan 0.000 0.563 282 F N 1.309 121.311 119.950 0.088 0.000 2.523 282 F HA 0.685 5.206 4.527 -0.011 0.000 0.329 282 F C 1.090 176.787 175.800 -0.171 0.000 1.061 282 F CA -0.167 57.782 58.000 -0.085 0.000 0.967 282 F CB 1.945 40.921 39.000 -0.041 0.000 1.218 282 F HN 0.784 nan 8.300 nan 0.000 0.480 283 S N -0.825 114.874 115.700 -0.002 0.000 2.603 283 S HA 0.189 4.653 4.470 -0.009 0.000 0.268 283 S C 0.532 175.056 174.600 -0.126 0.000 1.317 283 S CA -0.356 57.795 58.200 -0.082 0.000 1.012 283 S CB 0.583 63.749 63.200 -0.057 0.000 0.926 283 S HN 0.688 nan 8.310 nan 0.000 0.539 284 H N 1.283 120.314 119.070 -0.066 0.000 2.389 284 H HA 0.104 4.655 4.556 -0.009 0.000 0.299 284 H C 2.357 177.610 175.328 -0.126 0.000 1.081 284 H CA 1.812 57.793 56.048 -0.112 0.000 1.345 284 H CB -0.575 29.104 29.762 -0.138 0.000 1.393 284 H HN 0.778 nan 8.280 nan 0.000 0.520 285 A N 0.978 123.798 122.820 0.001 0.000 1.902 285 A HA -0.130 4.184 4.320 -0.009 0.000 0.217 285 A C 2.311 179.851 177.584 -0.072 0.000 1.181 285 A CA 1.259 53.261 52.037 -0.057 0.000 0.623 285 A CB -0.718 18.250 19.000 -0.054 0.000 0.818 285 A HN 0.424 nan 8.150 nan 0.000 0.443 286 L N -0.893 120.290 121.223 -0.067 0.000 2.056 286 L HA -0.077 4.257 4.340 -0.009 0.000 0.207 286 L C 2.459 179.290 176.870 -0.064 0.000 1.078 286 L CA 1.363 56.157 54.840 -0.078 0.000 0.749 286 L CB -0.249 41.783 42.059 -0.045 0.000 0.901 286 L HN 0.437 nan 8.230 nan 0.000 0.433 287 L N -0.731 120.458 121.223 -0.057 0.000 2.022 287 L HA -0.181 4.154 4.340 -0.009 0.000 0.204 287 L C 2.428 179.322 176.870 0.040 0.000 1.076 287 L CA 1.190 55.981 54.840 -0.082 0.000 0.749 287 L CB -0.340 41.563 42.059 -0.260 0.000 0.903 287 L HN 0.260 nan 8.230 nan 0.000 0.439 288 L N -0.293 120.933 121.223 0.005 0.000 2.291 288 L HA 0.018 4.352 4.340 -0.009 0.000 0.214 288 L C 2.198 179.108 176.870 0.066 0.000 1.120 288 L CA 1.425 56.330 54.840 0.108 0.000 0.799 288 L CB -1.377 40.711 42.059 0.049 0.000 0.925 288 L HN 0.256 nan 8.230 nan 0.000 0.446 289 G N -1.267 107.524 108.800 -0.016 0.000 2.680 289 G HA2 -0.071 3.884 3.960 -0.009 0.000 0.224 289 G HA3 -0.071 3.884 3.960 -0.009 0.000 0.224 289 G C 1.524 176.375 174.900 -0.082 0.000 1.454 289 G CA 0.356 45.432 45.100 -0.040 0.000 0.900 289 G HN 0.197 nan 8.290 nan 0.000 0.570 290 K N -0.022 120.274 120.400 -0.174 0.000 1.991 290 K HA 0.040 4.354 4.320 -0.009 0.000 0.212 290 K C 2.615 178.907 176.600 -0.513 0.000 1.049 290 K CA 1.188 57.231 56.287 -0.408 0.000 0.932 290 K CB -0.430 31.775 32.500 -0.491 0.000 0.717 290 K HN 0.259 nan 8.250 nan 0.000 0.441 291 L N 1.120 122.163 121.223 -0.301 0.000 2.012 291 L HA -0.234 4.101 4.340 -0.009 0.000 0.210 291 L C 2.420 179.253 176.870 -0.063 0.000 1.073 291 L CA 1.170 55.906 54.840 -0.172 0.000 0.748 291 L CB -0.741 41.309 42.059 -0.014 0.000 0.891 291 L HN 0.337 nan 8.230 nan 0.000 0.431 292 N N 0.116 118.829 118.700 0.022 0.000 2.104 292 N HA -0.220 4.514 4.740 -0.009 0.000 0.190 292 N C 1.905 177.417 175.510 0.003 0.000 1.024 292 N CA 1.320 54.404 53.050 0.056 0.000 0.853 292 N CB -0.210 38.356 38.487 0.132 0.000 1.008 292 N HN 0.268 nan 8.380 nan 0.000 0.424 293 R N -0.573 119.912 120.500 -0.025 0.000 2.061 293 R HA -0.121 4.214 4.340 -0.009 0.000 0.230 293 R C 1.760 177.988 176.300 -0.120 0.000 1.140 293 R CA 1.188 57.274 56.100 -0.023 0.000 0.940 293 R CB -0.367 29.952 30.300 0.032 0.000 0.839 293 R HN 0.174 nan 8.270 nan 0.000 0.429 294 Y N 0.215 120.210 120.300 -0.508 0.000 2.256 294 Y HA -0.207 4.338 4.550 -0.009 0.000 0.288 294 Y C 2.198 177.773 175.900 -0.542 0.000 1.155 294 Y CA 0.390 57.943 58.100 -0.912 0.000 1.203 294 Y CB -0.703 37.278 38.460 -0.797 0.000 0.980 294 Y HN 0.214 nan 8.280 nan 0.000 0.530 295 C N -0.563 118.671 119.300 -0.109 0.000 2.578 295 C HA 0.468 4.922 4.460 -0.009 0.000 0.285 295 C C 1.899 176.862 174.990 -0.045 0.000 1.297 295 C CA 0.699 59.687 59.018 -0.049 0.000 1.690 295 C CB -1.040 26.705 27.740 0.009 0.000 1.773 295 C HN 0.810 nan 8.230 nan 0.000 0.594 296 G N 0.154 108.912 108.800 -0.071 0.000 2.184 296 G HA2 -0.014 3.940 3.960 -0.009 0.000 0.206 296 G HA3 -0.014 3.940 3.960 -0.009 0.000 0.206 296 G C 0.129 175.036 174.900 0.012 0.000 0.995 296 G CA -0.011 45.072 45.100 -0.029 0.000 0.651 296 G HN 0.844 nan 8.290 nan 0.000 0.511 297 A N 0.515 123.349 122.820 0.023 0.000 2.451 297 A HA 0.546 4.860 4.320 -0.009 0.000 0.266 297 A C 1.073 178.688 177.584 0.052 0.000 1.119 297 A CA 0.765 52.845 52.037 0.072 0.000 0.786 297 A CB 0.230 19.287 19.000 0.095 0.000 1.061 297 A HN 0.259 nan 8.150 nan 0.000 0.503 298 D N 1.258 121.684 120.400 0.044 0.000 2.305 298 D HA 0.111 4.746 4.640 -0.009 0.000 0.206 298 D C -0.597 175.501 176.300 -0.336 0.000 0.974 298 D CA 1.301 55.208 54.000 -0.156 0.000 0.871 298 D CB 0.210 40.875 40.800 -0.226 0.000 0.947 298 D HN 0.563 nan 8.370 nan 0.000 0.516 299 F N -0.118 119.916 119.950 0.141 0.000 2.556 299 F HA 0.292 4.813 4.527 -0.010 0.000 0.314 299 F C 0.013 175.895 175.800 0.137 0.000 1.106 299 F CA -0.922 57.170 58.000 0.153 0.000 0.911 299 F CB 2.315 41.361 39.000 0.077 0.000 1.190 299 F HN -0.430 nan 8.300 nan 0.000 0.448 300 S N 4.085 119.999 115.700 0.356 0.000 2.733 300 S HA 0.578 5.042 4.470 -0.009 0.000 0.307 300 S C -1.082 173.703 174.600 0.308 0.000 1.127 300 S CA -0.602 57.780 58.200 0.303 0.000 1.097 300 S CB 0.196 63.570 63.200 0.289 0.000 1.003 300 S HN 0.470 nan 8.310 nan 0.000 0.477 301 L N 6.111 127.434 121.223 0.166 0.000 2.371 301 L HA 0.651 4.986 4.340 -0.009 0.000 0.272 301 L C -0.341 176.577 176.870 0.080 0.000 1.124 301 L CA -0.062 54.766 54.840 -0.020 0.000 0.816 301 L CB 0.425 42.379 42.059 -0.175 0.000 1.129 301 L HN 0.805 nan 8.230 nan 0.000 0.448 302 F N 1.180 121.065 119.950 -0.108 0.000 2.688 302 F HA 0.556 5.077 4.527 -0.010 0.000 0.308 302 F C -2.949 172.781 175.800 -0.116 0.000 1.117 302 F CA -2.611 55.328 58.000 -0.102 0.000 0.976 302 F CB 0.745 39.713 39.000 -0.054 0.000 1.291 302 F HN 0.188 nan 8.300 nan 0.000 0.439 303 P HA 0.122 nan 4.420 nan 0.000 0.263 303 P C -0.180 177.099 177.300 -0.035 0.000 1.195 303 P CA 0.185 63.259 63.100 -0.043 0.000 0.762 303 P CB 0.908 32.604 31.700 -0.006 0.000 0.799 304 S N 4.922 120.532 115.700 -0.150 0.000 2.608 304 S HA 0.285 4.750 4.470 -0.009 0.000 0.261 304 S C -1.775 172.706 174.600 -0.199 0.000 1.314 304 S CA -0.991 57.114 58.200 -0.158 0.000 0.992 304 S CB 0.045 63.197 63.200 -0.080 0.000 0.935 304 S HN 0.337 nan 8.310 nan 0.000 0.564 305 P HA 0.222 nan 4.420 nan 0.000 0.244 305 P C -0.654 176.321 177.300 -0.542 0.000 1.632 305 P CA 0.112 62.941 63.100 -0.451 0.000 0.944 305 P CB -0.796 30.645 31.700 -0.432 0.000 1.569 306 Y N -1.831 118.474 120.300 0.007 0.000 2.423 306 Y HA 0.359 4.903 4.550 -0.009 0.000 0.257 306 Y C 1.796 177.687 175.900 -0.015 0.000 1.087 306 Y CA -0.549 57.545 58.100 -0.010 0.000 1.258 306 Y CB 0.324 38.764 38.460 -0.033 0.000 1.237 306 Y HN 0.013 nan 8.280 nan 0.000 0.517 307 G N -0.424 108.430 108.800 0.090 0.000 2.532 307 G HA2 0.200 4.155 3.960 -0.009 0.000 0.291 307 G HA3 0.200 4.155 3.960 -0.009 0.000 0.291 307 G C 0.924 175.847 174.900 0.039 0.000 1.349 307 G CA 0.224 45.358 45.100 0.056 0.000 1.038 307 G HN 0.095 nan 8.290 nan 0.000 0.518 308 S N -1.909 113.812 115.700 0.035 0.000 2.355 308 S HA -0.085 4.380 4.470 -0.009 0.000 0.222 308 S C 1.150 175.763 174.600 0.021 0.000 1.031 308 S CA 0.797 59.016 58.200 0.032 0.000 0.993 308 S CB -0.232 62.988 63.200 0.034 0.000 0.859 308 S HN 0.256 nan 8.310 nan 0.000 0.453 309 V N 2.536 122.460 119.914 0.017 0.000 2.304 309 V HA 0.705 4.820 4.120 -0.009 0.000 0.262 309 V C 0.300 176.391 176.094 -0.005 0.000 1.061 309 V CA -0.108 62.198 62.300 0.010 0.000 0.872 309 V CB -0.165 31.668 31.823 0.016 0.000 1.077 309 V HN 0.547 nan 8.190 nan 0.000 0.480 310 A N 5.213 128.024 122.820 -0.015 0.000 2.347 310 A HA 0.999 5.314 4.320 -0.009 0.000 0.301 310 A C -1.231 176.314 177.584 -0.064 0.000 1.163 310 A CA -0.713 51.300 52.037 -0.041 0.000 0.860 310 A CB 1.626 20.597 19.000 -0.047 0.000 1.367 310 A HN 0.579 nan 8.150 nan 0.000 0.461 311 L N -0.001 121.166 121.223 -0.094 0.000 2.370 311 L HA 0.633 4.968 4.340 -0.009 0.000 0.266 311 L C -2.512 174.267 176.870 -0.151 0.000 1.002 311 L CA -1.823 52.923 54.840 -0.157 0.000 0.818 311 L CB 1.979 43.951 42.059 -0.146 0.000 1.325 311 L HN 0.397 nan 8.230 nan 0.000 0.418 312 P HA 0.160 nan 4.420 nan 0.000 0.268 312 P C 0.082 177.312 177.300 -0.115 0.000 1.208 312 P CA -0.062 62.965 63.100 -0.120 0.000 0.777 312 P CB 0.561 32.198 31.700 -0.106 0.000 0.875 313 R N 2.690 123.132 120.500 -0.096 0.000 2.080 313 R HA -0.205 4.129 4.340 -0.009 0.000 0.236 313 R C 1.994 178.251 176.300 -0.073 0.000 1.137 313 R CA 2.163 58.210 56.100 -0.089 0.000 0.943 313 R CB -1.034 29.219 30.300 -0.079 0.000 0.846 313 R HN 0.553 nan 8.270 nan 0.000 0.431 314 A N 1.228 124.008 122.820 -0.067 0.000 1.892 314 A HA -0.244 4.071 4.320 -0.009 0.000 0.218 314 A C 1.710 179.256 177.584 -0.062 0.000 1.188 314 A CA 2.122 54.125 52.037 -0.057 0.000 0.631 314 A CB -0.711 18.262 19.000 -0.047 0.000 0.822 314 A HN 0.491 nan 8.150 nan 0.000 0.447 315 D N 0.054 120.401 120.400 -0.088 0.000 2.097 315 D HA -0.072 4.562 4.640 -0.009 0.000 0.195 315 D C 2.302 178.504 176.300 -0.163 0.000 0.989 315 D CA 1.558 55.487 54.000 -0.118 0.000 0.827 315 D CB -0.633 40.037 40.800 -0.216 0.000 0.966 315 D HN 0.443 nan 8.370 nan 0.000 0.456 316 A N 1.236 123.980 122.820 -0.128 0.000 1.892 316 A HA -0.169 4.145 4.320 -0.009 0.000 0.218 316 A C 2.471 180.118 177.584 0.105 0.000 1.188 316 A CA 1.177 53.194 52.037 -0.033 0.000 0.631 316 A CB -0.929 18.215 19.000 0.239 0.000 0.822 316 A HN 0.197 nan 8.150 nan 0.000 0.447 317 L N -1.006 120.259 121.223 0.070 0.000 2.083 317 L HA -0.174 4.160 4.340 -0.009 0.000 0.209 317 L C 3.063 179.977 176.870 0.073 0.000 1.083 317 L CA 1.028 55.902 54.840 0.056 0.000 0.752 317 L CB -0.560 41.457 42.059 -0.070 0.000 0.899 317 L HN 0.445 nan 8.230 nan 0.000 0.433 318 A N 0.181 122.998 122.820 -0.005 0.000 1.969 318 A HA -0.126 4.189 4.320 -0.009 0.000 0.218 318 A C 2.209 179.767 177.584 -0.043 0.000 1.169 318 A CA 1.225 53.250 52.037 -0.020 0.000 0.635 318 A CB -0.538 18.440 19.000 -0.037 0.000 0.810 318 A HN 0.352 nan 8.150 nan 0.000 0.445 319 I N -1.357 119.139 120.570 -0.124 0.000 2.202 319 I HA -0.247 3.917 4.170 -0.009 0.000 0.242 319 I C 2.528 178.623 176.117 -0.036 0.000 1.091 319 I CA 1.799 62.977 61.300 -0.202 0.000 1.368 319 I CB -0.546 37.073 38.000 -0.635 0.000 1.058 319 I HN 0.557 nan 8.210 nan 0.000 0.410 320 H N 1.143 120.219 119.070 0.010 0.000 2.352 320 H HA -0.232 4.318 4.556 -0.010 0.000 0.299 320 H C 2.123 177.532 175.328 0.135 0.000 1.097 320 H CA 2.209 58.377 56.048 0.201 0.000 1.311 320 H CB -0.102 29.932 29.762 0.454 0.000 1.377 320 H HN 0.321 nan 8.280 nan 0.000 0.504 321 E N -0.138 120.060 120.200 -0.004 0.000 2.049 321 E HA -0.226 4.118 4.350 -0.009 0.000 0.198 321 E C 1.970 178.525 176.600 -0.074 0.000 1.007 321 E CA 1.561 57.919 56.400 -0.070 0.000 0.809 321 E CB 0.072 29.772 29.700 0.000 0.000 0.749 321 E HN 0.574 nan 8.360 nan 0.000 0.450 322 E N 0.040 120.215 120.200 -0.042 0.000 2.110 322 E HA -0.173 4.171 4.350 -0.009 0.000 0.193 322 E C 2.293 178.887 176.600 -0.009 0.000 0.988 322 E CA 0.996 57.379 56.400 -0.028 0.000 0.804 322 E CB -0.504 29.164 29.700 -0.055 0.000 0.745 322 E HN 0.423 nan 8.360 nan 0.000 0.458 323 C N 0.336 119.626 119.300 -0.016 0.000 2.432 323 C HA -0.019 4.435 4.460 -0.009 0.000 0.280 323 C C 2.755 177.732 174.990 -0.022 0.000 1.353 323 C CA 0.267 59.295 59.018 0.016 0.000 1.766 323 C CB -0.658 27.135 27.740 0.089 0.000 1.924 323 C HN 0.160 nan 8.230 nan 0.000 0.509 324 V N -0.051 119.798 119.914 -0.109 0.000 3.125 324 V HA 0.081 4.195 4.120 -0.009 0.000 0.249 324 V C 1.229 177.298 176.094 -0.042 0.000 1.113 324 V CA 0.202 62.432 62.300 -0.116 0.000 1.106 324 V CB -0.321 31.329 31.823 -0.288 0.000 0.768 324 V HN 0.458 nan 8.190 nan 0.000 0.468 325 R N 2.230 122.718 120.500 -0.020 0.000 2.566 325 R HA -0.096 4.239 4.340 -0.009 0.000 0.273 325 R C 0.139 176.465 176.300 0.043 0.000 0.981 325 R CA 0.436 56.549 56.100 0.021 0.000 1.091 325 R CB 0.142 30.472 30.300 0.049 0.000 0.924 325 R HN 0.386 nan 8.270 nan 0.000 0.411 326 E N 3.278 123.496 120.200 0.030 0.000 2.417 326 E HA -0.050 4.295 4.350 -0.009 0.000 0.261 326 E C -0.458 176.160 176.600 0.031 0.000 1.000 326 E CA 0.694 57.105 56.400 0.020 0.000 0.919 326 E CB 0.710 30.414 29.700 0.007 0.000 0.955 326 E HN 0.552 nan 8.360 nan 0.000 0.455 327 D N 0.222 120.631 120.400 0.014 0.000 2.825 327 D HA 0.290 4.924 4.640 -0.009 0.000 0.327 327 D C -0.276 175.928 176.300 -0.160 0.000 1.277 327 D CA -0.405 53.587 54.000 -0.013 0.000 0.950 327 D CB 1.071 41.948 40.800 0.129 0.000 1.438 327 D HN 0.215 nan 8.370 nan 0.000 0.526 328 A N -0.245 122.324 122.820 -0.418 0.000 2.235 328 A HA 0.248 4.562 4.320 -0.009 0.000 0.208 328 A C 0.100 177.199 177.584 -0.807 0.000 1.172 328 A CA 0.739 52.369 52.037 -0.678 0.000 0.786 328 A CB -0.497 17.952 19.000 -0.918 0.000 0.804 328 A HN 0.258 nan 8.150 nan 0.000 0.479 329 F N -1.329 118.540 119.950 -0.135 0.000 2.631 329 F HA 0.405 4.927 4.527 -0.009 0.000 0.328 329 F C 0.337 176.099 175.800 -0.063 0.000 1.067 329 F CA -1.555 56.380 58.000 -0.109 0.000 0.969 329 F CB 0.489 39.413 39.000 -0.127 0.000 1.332 329 F HN -0.157 nan 8.300 nan 0.000 0.490 330 N N 0.641 119.436 118.700 0.160 0.000 2.340 330 N HA 0.059 4.794 4.740 -0.009 0.000 0.236 330 N C -0.634 174.923 175.510 0.077 0.000 1.296 330 N CA -0.073 53.024 53.050 0.078 0.000 0.896 330 N CB 0.336 38.860 38.487 0.061 0.000 1.127 330 N HN 0.610 nan 8.380 nan 0.000 0.442 331 Q N -0.021 119.790 119.800 0.018 0.000 2.306 331 Q HA 0.280 4.614 4.340 -0.009 0.000 0.241 331 Q C -0.296 175.667 176.000 -0.061 0.000 0.948 331 Q CA -0.052 55.744 55.803 -0.012 0.000 0.886 331 Q CB 0.850 29.555 28.738 -0.055 0.000 1.227 331 Q HN 0.405 nan 8.270 nan 0.000 0.457 332 T N 1.559 116.098 114.554 -0.026 0.000 2.875 332 T HA 0.315 4.659 4.350 -0.009 0.000 0.284 332 T C -0.640 174.079 174.700 0.032 0.000 0.995 332 T CA -0.428 61.666 62.100 -0.010 0.000 1.060 332 T CB 0.321 69.225 68.868 0.059 0.000 0.967 332 T HN 0.315 nan 8.240 nan 0.000 0.476 333 F N 2.715 122.654 119.950 -0.019 0.000 2.438 333 F HA 0.431 4.952 4.527 -0.010 0.000 0.360 333 F C 1.018 176.938 175.800 0.200 0.000 1.118 333 F CA -0.955 57.088 58.000 0.072 0.000 1.164 333 F CB 0.317 39.306 39.000 -0.019 0.000 1.131 333 F HN 0.591 nan 8.300 nan 0.000 0.527 334 A N 4.222 127.370 122.820 0.547 0.000 2.388 334 A HA 0.523 4.837 4.320 -0.009 0.000 0.257 334 A C -0.480 177.293 177.584 0.314 0.000 1.095 334 A CA -0.432 51.923 52.037 0.531 0.000 0.791 334 A CB 0.600 20.020 19.000 0.700 0.000 1.029 334 A HN 0.545 nan 8.150 nan 0.000 0.489 335 V N 4.364 124.321 119.914 0.071 0.000 2.383 335 V HA 0.227 4.341 4.120 -0.009 0.000 0.261 335 V C -2.645 172.915 176.094 -0.890 0.000 0.987 335 V CA -1.273 60.846 62.300 -0.302 0.000 0.853 335 V CB 0.914 32.634 31.823 -0.173 0.000 1.095 335 V HN 0.698 nan 8.190 nan 0.000 0.461 336 P HA 0.227 nan 4.420 nan 0.000 0.270 336 P C 0.600 177.568 177.300 -0.554 0.000 1.242 336 P CA 0.651 63.115 63.100 -1.060 0.000 0.768 336 P CB 1.134 32.276 31.700 -0.930 0.000 0.820 337 S N 1.808 117.222 115.700 -0.476 0.000 2.549 337 S HA 0.327 4.792 4.470 -0.009 0.000 0.225 337 S C 0.515 175.001 174.600 -0.190 0.000 1.039 337 S CA -0.075 57.927 58.200 -0.331 0.000 0.942 337 S CB 0.428 63.424 63.200 -0.341 0.000 0.881 337 S HN 0.502 nan 8.310 nan 0.000 0.503 338 A N 0.342 123.083 122.820 -0.131 0.000 2.303 338 A HA 0.658 4.973 4.320 -0.009 0.000 0.320 338 A C 0.807 178.400 177.584 0.015 0.000 1.192 338 A CA -0.045 51.961 52.037 -0.051 0.000 0.821 338 A CB 0.396 19.374 19.000 -0.036 0.000 1.188 338 A HN 0.793 nan 8.150 nan 0.000 0.492 339 G N 1.323 110.118 108.800 -0.009 0.000 2.167 339 G HA2 -0.128 3.826 3.960 -0.009 0.000 0.194 339 G HA3 -0.128 3.826 3.960 -0.009 0.000 0.194 339 G C -0.285 174.573 174.900 -0.069 0.000 1.027 339 G CA 0.093 45.196 45.100 0.005 0.000 0.717 339 G HN 0.765 nan 8.290 nan 0.000 0.501 340 I N 2.135 122.639 120.570 -0.109 0.000 2.474 340 I HA 0.516 4.680 4.170 -0.009 0.000 0.294 340 I C 0.487 176.518 176.117 -0.144 0.000 1.005 340 I CA -1.110 60.091 61.300 -0.165 0.000 1.113 340 I CB 1.552 39.512 38.000 -0.065 0.000 1.289 340 I HN 0.406 nan 8.210 nan 0.000 0.436 341 H N 4.467 123.369 119.070 -0.280 0.000 2.865 341 H HA 0.410 4.960 4.556 -0.009 0.000 0.372 341 H C -2.755 172.263 175.328 -0.517 0.000 1.173 341 H CA -2.382 53.314 56.048 -0.587 0.000 1.147 341 H CB 1.501 30.350 29.762 -1.522 0.000 1.805 341 H HN 0.190 nan 8.280 nan 0.000 0.553 342 P HA -0.189 nan 4.420 nan 0.000 0.218 342 P C 1.693 178.889 177.300 -0.174 0.000 1.150 342 P CA 2.602 65.302 63.100 -0.668 0.000 0.841 342 P CB -0.321 31.038 31.700 -0.569 0.000 0.784 343 G N -1.301 107.569 108.800 0.116 0.000 2.448 343 G HA2 -0.230 3.725 3.960 -0.009 0.000 0.219 343 G HA3 -0.230 3.725 3.960 -0.009 0.000 0.219 343 G C 1.258 176.110 174.900 -0.079 0.000 1.127 343 G CA 0.639 45.822 45.100 0.138 0.000 0.766 343 G HN 0.281 nan 8.290 nan 0.000 0.552 344 M N 0.120 119.534 119.600 -0.311 0.000 2.502 344 M HA 0.147 4.621 4.480 -0.009 0.000 0.243 344 M C 2.305 178.510 176.300 -0.159 0.000 1.130 344 M CA -0.122 54.987 55.300 -0.318 0.000 1.055 344 M CB 0.486 32.739 32.600 -0.578 0.000 1.457 344 M HN 0.031 nan 8.290 nan 0.000 0.488 345 V N 2.244 122.116 119.914 -0.070 0.000 2.278 345 V HA -0.224 3.890 4.120 -0.009 0.000 0.251 345 V C -0.324 175.796 176.094 0.044 0.000 1.062 345 V CA 2.344 64.668 62.300 0.040 0.000 1.038 345 V CB -1.950 29.916 31.823 0.073 0.000 0.646 345 V HN 0.327 nan 8.190 nan 0.000 0.447 346 P HA -0.167 nan 4.420 nan 0.000 0.216 346 P C 1.925 179.234 177.300 0.015 0.000 1.150 346 P CA 1.390 64.503 63.100 0.022 0.000 0.837 346 P CB 0.022 31.728 31.700 0.009 0.000 0.786 347 L N -0.560 120.652 121.223 -0.019 0.000 2.027 347 L HA -0.071 4.263 4.340 -0.009 0.000 0.206 347 L C 2.750 179.634 176.870 0.024 0.000 1.074 347 L CA 1.510 56.335 54.840 -0.025 0.000 0.745 347 L CB -1.389 40.611 42.059 -0.097 0.000 0.898 347 L HN -0.188 nan 8.230 nan 0.000 0.433 348 L N -1.452 119.809 121.223 0.063 0.000 2.042 348 L HA -0.269 4.066 4.340 -0.009 0.000 0.210 348 L C 2.516 179.461 176.870 0.126 0.000 1.076 348 L CA 1.611 56.569 54.840 0.196 0.000 0.749 348 L CB -0.484 41.712 42.059 0.229 0.000 0.893 348 L HN 0.321 nan 8.230 nan 0.000 0.432 349 M N -1.155 118.529 119.600 0.139 0.000 2.374 349 M HA -0.184 4.291 4.480 -0.009 0.000 0.264 349 M C 2.364 178.701 176.300 0.062 0.000 1.067 349 M CA 1.327 56.720 55.300 0.156 0.000 1.103 349 M CB -0.397 32.303 32.600 0.166 0.000 1.402 349 M HN 0.208 nan 8.290 nan 0.000 0.444 350 R N 0.651 121.160 120.500 0.015 0.000 2.062 350 R HA -0.113 4.222 4.340 -0.009 0.000 0.226 350 R C 1.274 177.511 176.300 -0.106 0.000 1.125 350 R CA 1.403 57.490 56.100 -0.022 0.000 0.966 350 R CB 0.058 30.346 30.300 -0.021 0.000 0.861 350 R HN 0.280 nan 8.270 nan 0.000 0.433 351 D N -0.710 119.560 120.400 -0.216 0.000 2.234 351 D HA -0.080 4.554 4.640 -0.009 0.000 0.205 351 D C 0.646 176.432 176.300 -0.856 0.000 0.962 351 D CA 1.082 54.757 54.000 -0.541 0.000 0.855 351 D CB 0.230 40.577 40.800 -0.755 0.000 0.951 351 D HN 0.274 nan 8.370 nan 0.000 0.500 352 F N -0.452 119.308 119.950 -0.317 0.000 2.781 352 F HA 0.326 4.847 4.527 -0.009 0.000 0.322 352 F C 1.504 177.125 175.800 -0.298 0.000 1.108 352 F CA -0.186 57.431 58.000 -0.638 0.000 1.179 352 F CB 0.693 39.025 39.000 -1.114 0.000 1.072 352 F HN -0.108 nan 8.300 nan 0.000 0.545 353 G N 2.286 111.134 108.800 0.080 0.000 2.633 353 G HA2 -0.321 3.633 3.960 -0.009 0.000 0.263 353 G HA3 -0.321 3.633 3.960 -0.009 0.000 0.263 353 G C 0.783 175.906 174.900 0.371 0.000 1.310 353 G CA 0.081 45.312 45.100 0.219 0.000 0.914 353 G HN 0.363 nan 8.290 nan 0.000 0.569 354 I N -1.940 118.824 120.570 0.325 0.000 3.603 354 I HA 0.260 4.424 4.170 -0.009 0.000 0.297 354 I C 0.286 176.619 176.117 0.359 0.000 1.269 354 I CA 1.297 62.780 61.300 0.306 0.000 1.361 354 I CB -0.463 37.665 38.000 0.213 0.000 1.063 354 I HN 0.205 nan 8.210 nan 0.000 0.448 355 D N 4.188 124.848 120.400 0.432 0.000 2.767 355 D HA 0.240 4.875 4.640 -0.009 0.000 0.241 355 D C 0.105 176.824 176.300 0.698 0.000 1.187 355 D CA 0.333 54.613 54.000 0.467 0.000 0.999 355 D CB -0.069 40.887 40.800 0.260 0.000 1.042 355 D HN 0.589 nan 8.370 nan 0.000 0.510 356 H N -1.429 117.961 119.070 0.534 0.000 2.948 356 H HA 0.471 5.021 4.556 -0.010 0.000 0.315 356 H C -1.410 173.964 175.328 0.076 0.000 1.360 356 H CA -0.853 55.419 56.048 0.373 0.000 1.125 356 H CB 0.767 30.586 29.762 0.095 0.000 1.844 356 H HN -0.124 nan 8.280 nan 0.000 0.529 357 I N 2.036 122.451 120.570 -0.259 0.000 2.436 357 I HA 0.287 4.452 4.170 -0.009 0.000 0.289 357 I C -0.033 175.882 176.117 -0.338 0.000 1.010 357 I CA -0.857 60.163 61.300 -0.466 0.000 1.098 357 I CB 2.057 39.789 38.000 -0.447 0.000 1.266 357 I HN 0.354 nan 8.210 nan 0.000 0.434 358 I N 5.505 125.855 120.570 -0.366 0.000 2.322 358 I HA 0.106 4.270 4.170 -0.009 0.000 0.292 358 I C 0.092 176.003 176.117 -0.344 0.000 1.060 358 I CA -0.041 61.109 61.300 -0.250 0.000 1.309 358 I CB 0.380 38.277 38.000 -0.171 0.000 1.415 358 I HN 0.503 nan 8.210 nan 0.000 0.492 359 N N 6.576 125.084 118.700 -0.320 0.000 2.609 359 N HA 0.458 5.192 4.740 -0.009 0.000 0.234 359 N C -0.662 174.662 175.510 -0.311 0.000 1.001 359 N CA -0.361 52.491 53.050 -0.329 0.000 0.926 359 N CB 1.149 39.460 38.487 -0.293 0.000 1.130 359 N HN 0.630 nan 8.380 nan 0.000 0.510 360 A N 2.346 124.918 122.820 -0.414 0.000 3.064 360 A HA 0.506 4.820 4.320 -0.009 0.000 0.339 360 A C 1.309 178.741 177.584 -0.253 0.000 1.078 360 A CA -0.416 51.417 52.037 -0.341 0.000 0.869 360 A CB -0.218 18.512 19.000 -0.450 0.000 1.067 360 A HN 0.641 nan 8.150 nan 0.000 0.480 361 G N 1.084 109.798 108.800 -0.144 0.000 2.440 361 G HA2 -0.071 3.883 3.960 -0.009 0.000 0.218 361 G HA3 -0.071 3.883 3.960 -0.009 0.000 0.218 361 G C 1.432 176.399 174.900 0.112 0.000 1.154 361 G CA 1.422 46.515 45.100 -0.012 0.000 0.767 361 G HN 0.862 nan 8.290 nan 0.000 0.552 362 G N 0.766 109.607 108.800 0.069 0.000 2.446 362 G HA2 0.036 3.991 3.960 -0.009 0.000 0.217 362 G HA3 0.036 3.991 3.960 -0.009 0.000 0.217 362 G C 1.772 176.758 174.900 0.143 0.000 1.168 362 G CA 1.341 46.508 45.100 0.113 0.000 0.771 362 G HN 0.618 nan 8.290 nan 0.000 0.551 363 G N -0.098 108.747 108.800 0.075 0.000 2.471 363 G HA2 -0.003 3.951 3.960 -0.009 0.000 0.219 363 G HA3 -0.003 3.951 3.960 -0.009 0.000 0.219 363 G C 1.651 176.812 174.900 0.436 0.000 1.125 363 G CA 1.040 46.242 45.100 0.170 0.000 0.775 363 G HN 0.344 nan 8.290 nan 0.000 0.548 364 V N 0.026 120.077 119.914 0.229 0.000 2.407 364 V HA -0.062 4.052 4.120 -0.009 0.000 0.245 364 V C 2.262 178.346 176.094 -0.017 0.000 1.041 364 V CA 1.759 64.097 62.300 0.063 0.000 1.040 364 V CB -0.562 31.109 31.823 -0.254 0.000 0.671 364 V HN 0.464 nan 8.190 nan 0.000 0.455 365 H N -0.168 119.006 119.070 0.173 0.000 2.525 365 H HA 0.160 4.710 4.556 -0.009 0.000 0.275 365 H C 2.237 177.692 175.328 0.211 0.000 0.984 365 H CA 0.889 57.032 56.048 0.157 0.000 1.264 365 H CB -0.090 29.733 29.762 0.103 0.000 1.432 365 H HN 0.440 nan 8.280 nan 0.000 0.549 366 G N -0.152 108.892 108.800 0.406 0.000 2.448 366 G HA2 -0.203 3.751 3.960 -0.009 0.000 0.218 366 G HA3 -0.203 3.751 3.960 -0.009 0.000 0.218 366 G C 0.605 175.699 174.900 0.323 0.000 1.135 366 G CA -0.051 45.303 45.100 0.424 0.000 0.784 366 G HN 0.405 nan 8.290 nan 0.000 0.543 367 H N 1.754 121.004 119.070 0.301 0.000 3.152 367 H HA -0.022 4.529 4.556 -0.009 0.000 0.319 367 H C -1.183 174.165 175.328 0.032 0.000 0.994 367 H CA -0.578 55.558 56.048 0.147 0.000 1.370 367 H CB 1.329 31.188 29.762 0.162 0.000 1.322 367 H HN -0.008 nan 8.280 nan 0.000 0.590 368 P HA -0.161 nan 4.420 nan 0.000 0.215 368 P C 0.339 177.690 177.300 0.086 0.000 1.157 368 P CA 1.262 64.282 63.100 -0.134 0.000 0.874 368 P CB 0.256 31.789 31.700 -0.279 0.000 0.790 369 N N -1.170 117.730 118.700 0.333 0.000 2.262 369 N HA 0.223 4.957 4.740 -0.009 0.000 0.260 369 N C 1.082 176.712 175.510 0.200 0.000 1.305 369 N CA 0.490 53.699 53.050 0.264 0.000 0.913 369 N CB -0.519 38.120 38.487 0.253 0.000 1.116 369 N HN -0.060 nan 8.380 nan 0.000 0.512 370 G N -1.210 107.645 108.800 0.091 0.000 2.479 370 G HA2 0.299 4.253 3.960 -0.009 0.000 0.275 370 G HA3 0.299 4.253 3.960 -0.009 0.000 0.275 370 G C 0.686 175.606 174.900 0.033 0.000 1.421 370 G CA 0.355 45.494 45.100 0.066 0.000 1.059 370 G HN 0.615 nan 8.290 nan 0.000 0.535 371 A N -1.609 121.217 122.820 0.010 0.000 2.015 371 A HA -0.018 4.296 4.320 -0.009 0.000 0.219 371 A C 2.293 179.811 177.584 -0.111 0.000 1.163 371 A CA 1.819 53.805 52.037 -0.085 0.000 0.646 371 A CB -0.396 18.548 19.000 -0.093 0.000 0.806 371 A HN 0.668 nan 8.150 nan 0.000 0.448 372 Q N -0.610 119.142 119.800 -0.080 0.000 2.050 372 Q HA -0.138 4.196 4.340 -0.009 0.000 0.202 372 Q C 2.280 178.179 176.000 -0.168 0.000 0.980 372 Q CA 1.323 57.068 55.803 -0.096 0.000 0.840 372 Q CB -0.508 28.192 28.738 -0.063 0.000 0.898 372 Q HN 0.675 nan 8.270 nan 0.000 0.424 373 G N 0.562 109.221 108.800 -0.235 0.000 2.476 373 G HA2 -0.282 3.672 3.960 -0.009 0.000 0.218 373 G HA3 -0.282 3.672 3.960 -0.009 0.000 0.218 373 G C 1.367 175.760 174.900 -0.846 0.000 1.164 373 G CA 0.955 45.722 45.100 -0.554 0.000 0.768 373 G HN 0.495 nan 8.290 nan 0.000 0.560 374 G N 0.627 109.085 108.800 -0.569 0.000 2.432 374 G HA2 0.078 4.033 3.960 -0.009 0.000 0.219 374 G HA3 0.078 4.033 3.960 -0.009 0.000 0.219 374 G C 1.732 176.675 174.900 0.072 0.000 1.135 374 G CA 1.387 46.409 45.100 -0.130 0.000 0.767 374 G HN 0.630 nan 8.290 nan 0.000 0.550 375 G N 0.537 109.311 108.800 -0.042 0.000 2.404 375 G HA2 -0.152 3.802 3.960 -0.009 0.000 0.215 375 G HA3 -0.152 3.802 3.960 -0.009 0.000 0.215 375 G C 1.937 176.844 174.900 0.012 0.000 1.174 375 G CA 0.684 45.782 45.100 -0.004 0.000 0.780 375 G HN 0.435 nan 8.290 nan 0.000 0.537 376 R N 0.503 120.962 120.500 -0.068 0.000 2.115 376 R HA 0.095 4.429 4.340 -0.009 0.000 0.230 376 R C 2.994 179.276 176.300 -0.030 0.000 1.111 376 R CA 0.922 56.986 56.100 -0.061 0.000 0.976 376 R CB -0.304 29.944 30.300 -0.086 0.000 0.870 376 R HN 0.349 nan 8.270 nan 0.000 0.445 377 A N 0.852 123.643 122.820 -0.048 0.000 1.865 377 A HA -0.187 4.128 4.320 -0.009 0.000 0.217 377 A C 1.901 179.437 177.584 -0.080 0.000 1.191 377 A CA 1.368 53.377 52.037 -0.046 0.000 0.623 377 A CB -0.691 18.301 19.000 -0.013 0.000 0.826 377 A HN 0.212 nan 8.150 nan 0.000 0.444 378 F N -0.374 119.569 119.950 -0.013 0.000 2.084 378 F HA -0.130 4.391 4.527 -0.009 0.000 0.296 378 F C 2.660 178.437 175.800 -0.039 0.000 1.111 378 F CA 1.555 59.539 58.000 -0.027 0.000 1.224 378 F CB -0.222 38.743 39.000 -0.059 0.000 0.991 378 F HN 0.039 nan 8.300 nan 0.000 0.471 379 R N 0.377 120.958 120.500 0.134 0.000 2.127 379 R HA -0.127 4.207 4.340 -0.009 0.000 0.238 379 R C 2.211 178.522 176.300 0.018 0.000 1.134 379 R CA 1.200 57.322 56.100 0.038 0.000 0.975 379 R CB -1.328 28.953 30.300 -0.032 0.000 0.865 379 R HN 0.351 nan 8.270 nan 0.000 0.447 380 A N 0.743 123.570 122.820 0.011 0.000 1.872 380 A HA -0.051 4.263 4.320 -0.009 0.000 0.214 380 A C 2.217 179.806 177.584 0.009 0.000 1.187 380 A CA 0.833 52.871 52.037 0.002 0.000 0.614 380 A CB -0.402 18.594 19.000 -0.006 0.000 0.826 380 A HN 0.271 nan 8.150 nan 0.000 0.442 381 I N -0.376 120.198 120.570 0.006 0.000 2.394 381 I HA -0.175 3.989 4.170 -0.009 0.000 0.251 381 I C 2.081 178.217 176.117 0.031 0.000 1.136 381 I CA 1.016 62.320 61.300 0.008 0.000 1.425 381 I CB -0.059 37.929 38.000 -0.020 0.000 1.079 381 I HN 0.342 nan 8.210 nan 0.000 0.425 382 I N 0.716 121.316 120.570 0.050 0.000 2.226 382 I HA -0.320 3.844 4.170 -0.009 0.000 0.245 382 I C 1.957 178.104 176.117 0.049 0.000 1.100 382 I CA 1.400 62.737 61.300 0.062 0.000 1.374 382 I CB -0.582 37.456 38.000 0.064 0.000 1.057 382 I HN 0.242 nan 8.210 nan 0.000 0.413 383 D N 0.968 121.390 120.400 0.037 0.000 2.144 383 D HA -0.128 4.506 4.640 -0.009 0.000 0.199 383 D C 2.252 178.570 176.300 0.031 0.000 0.984 383 D CA 1.451 55.471 54.000 0.032 0.000 0.834 383 D CB -0.175 40.638 40.800 0.021 0.000 0.955 383 D HN 0.326 nan 8.370 nan 0.000 0.465 384 A N 0.766 123.601 122.820 0.026 0.000 1.859 384 A HA -0.208 4.106 4.320 -0.009 0.000 0.217 384 A C 2.499 180.101 177.584 0.029 0.000 1.198 384 A CA 2.736 54.787 52.037 0.023 0.000 0.629 384 A CB -1.143 17.868 19.000 0.018 0.000 0.830 384 A HN 0.246 nan 8.150 nan 0.000 0.446 385 V N -1.770 118.165 119.914 0.035 0.000 2.594 385 V HA -0.177 3.938 4.120 -0.009 0.000 0.253 385 V C 2.222 178.344 176.094 0.046 0.000 1.069 385 V CA 2.012 64.336 62.300 0.040 0.000 1.082 385 V CB -0.878 30.974 31.823 0.048 0.000 0.680 385 V HN 0.467 nan 8.190 nan 0.000 0.469 386 L N 0.953 122.206 121.223 0.050 0.000 2.056 386 L HA -0.056 4.279 4.340 -0.009 0.000 0.207 386 L C 2.691 179.588 176.870 0.046 0.000 1.078 386 L CA 2.044 56.917 54.840 0.054 0.000 0.749 386 L CB -0.561 41.533 42.059 0.059 0.000 0.901 386 L HN 0.514 nan 8.230 nan 0.000 0.433 387 E N 0.409 120.632 120.200 0.038 0.000 2.419 387 E HA 0.205 4.549 4.350 -0.009 0.000 0.190 387 E C 0.751 177.368 176.600 0.028 0.000 1.040 387 E CA 0.484 56.904 56.400 0.032 0.000 0.900 387 E CB 0.310 30.027 29.700 0.028 0.000 1.054 387 E HN 0.292 nan 8.360 nan 0.000 0.462 388 A N 1.661 124.499 122.820 0.030 0.000 2.745 388 A HA -0.283 4.032 4.320 -0.009 0.000 0.296 388 A C 0.330 177.926 177.584 0.021 0.000 1.500 388 A CA 1.344 53.397 52.037 0.026 0.000 0.766 388 A CB -2.151 16.864 19.000 0.025 0.000 1.030 388 A HN 0.538 nan 8.150 nan 0.000 0.489 389 Q N -0.437 119.375 119.800 0.020 0.000 2.243 389 Q HA 0.491 4.825 4.340 -0.009 0.000 0.252 389 Q C -2.409 173.600 176.000 0.015 0.000 0.909 389 Q CA -2.169 53.644 55.803 0.016 0.000 0.922 389 Q CB 0.848 29.595 28.738 0.015 0.000 1.215 389 Q HN 0.379 nan 8.270 nan 0.000 0.427 390 P HA -0.056 nan 4.420 nan 0.000 0.265 390 P C 0.000 177.306 177.300 0.010 0.000 1.193 390 P CA 0.079 63.186 63.100 0.010 0.000 0.765 390 P CB 0.521 32.226 31.700 0.008 0.000 0.823 391 I N 2.489 123.065 120.570 0.010 0.000 2.118 391 I HA -0.282 3.882 4.170 -0.009 0.000 0.241 391 I C 2.542 178.663 176.117 0.007 0.000 1.070 391 I CA 2.598 63.903 61.300 0.009 0.000 1.327 391 I CB -1.877 36.130 38.000 0.011 0.000 1.034 391 I HN 0.437 nan 8.210 nan 0.000 0.405 392 D N 0.145 120.548 120.400 0.005 0.000 2.221 392 D HA -0.202 4.433 4.640 -0.009 0.000 0.204 392 D C 2.020 178.321 176.300 0.001 0.000 0.982 392 D CA 1.646 55.647 54.000 0.002 0.000 0.857 392 D CB -0.599 40.202 40.800 0.001 0.000 0.934 392 D HN 0.647 nan 8.370 nan 0.000 0.475 393 E N -0.735 119.466 120.200 0.003 0.000 2.072 393 E HA -0.102 4.243 4.350 -0.009 0.000 0.190 393 E C 2.286 178.888 176.600 0.003 0.000 0.982 393 E CA 0.532 56.934 56.400 0.003 0.000 0.803 393 E CB 0.105 29.808 29.700 0.004 0.000 0.755 393 E HN 0.177 nan 8.360 nan 0.000 0.453 394 K N 0.693 121.096 120.400 0.004 0.000 2.097 394 K HA -0.111 4.203 4.320 -0.009 0.000 0.206 394 K C 2.019 178.620 176.600 0.002 0.000 1.049 394 K CA 1.019 57.308 56.287 0.004 0.000 0.933 394 K CB -0.291 32.212 32.500 0.005 0.000 0.717 394 K HN 0.077 nan 8.250 nan 0.000 0.442 395 A N 1.380 124.201 122.820 0.002 0.000 1.873 395 A HA -0.259 4.056 4.320 -0.009 0.000 0.218 395 A C 2.338 179.920 177.584 -0.002 0.000 1.193 395 A CA 2.989 55.026 52.037 0.000 0.000 0.629 395 A CB -1.017 17.981 19.000 -0.003 0.000 0.826 395 A HN 0.498 nan 8.150 nan 0.000 0.447 396 E N -1.774 118.424 120.200 -0.003 0.000 2.209 396 E HA -0.141 4.203 4.350 -0.009 0.000 0.196 396 E C 2.042 178.640 176.600 -0.003 0.000 0.993 396 E CA 2.385 58.782 56.400 -0.004 0.000 0.819 396 E CB -1.344 28.354 29.700 -0.004 0.000 0.745 396 E HN 1.024 nan 8.360 nan 0.000 0.477 397 Q N -1.528 118.271 119.800 -0.002 0.000 2.408 397 Q HA 0.465 4.799 4.340 -0.009 0.000 0.205 397 Q C 1.366 177.365 176.000 -0.002 0.000 0.919 397 Q CA 0.766 56.568 55.803 -0.002 0.000 0.932 397 Q CB -0.406 28.332 28.738 -0.001 0.000 1.058 397 Q HN 0.870 nan 8.270 nan 0.000 0.517 398 C N -0.052 119.248 119.300 0.000 0.000 2.571 398 C HA 0.534 4.989 4.460 -0.009 0.000 0.343 398 C C 1.293 176.289 174.990 0.010 0.000 1.082 398 C CA -0.662 58.357 59.018 0.002 0.000 1.339 398 C CB 0.690 28.430 27.740 0.000 0.000 1.893 398 C HN 0.696 nan 8.230 nan 0.000 0.445 399 K N 2.565 122.972 120.400 0.013 0.000 2.148 399 K HA -0.108 4.207 4.320 -0.009 0.000 0.204 399 K C 1.382 178.017 176.600 0.058 0.000 1.050 399 K CA 1.944 58.243 56.287 0.020 0.000 0.942 399 K CB 0.126 32.634 32.500 0.013 0.000 0.724 399 K HN 0.782 nan 8.250 nan 0.000 0.446 400 D N 0.903 121.353 120.400 0.083 0.000 2.123 400 D HA -0.184 4.451 4.640 -0.009 0.000 0.196 400 D C 1.872 178.319 176.300 0.246 0.000 0.992 400 D CA 0.940 55.062 54.000 0.202 0.000 0.833 400 D CB -0.065 40.739 40.800 0.008 0.000 0.954 400 D HN 0.179 nan 8.370 nan 0.000 0.455 401 L N 1.366 122.644 121.223 0.092 0.000 2.056 401 L HA -0.097 4.238 4.340 -0.009 0.000 0.207 401 L C 2.060 178.953 176.870 0.039 0.000 1.078 401 L CA 1.670 56.544 54.840 0.056 0.000 0.749 401 L CB -0.340 41.728 42.059 0.015 0.000 0.901 401 L HN -0.178 nan 8.230 nan 0.000 0.433 402 K N -0.743 119.669 120.400 0.020 0.000 2.032 402 K HA -0.161 4.153 4.320 -0.009 0.000 0.209 402 K C 2.091 178.660 176.600 -0.052 0.000 1.048 402 K CA 1.908 58.188 56.287 -0.013 0.000 0.927 402 K CB -0.302 32.188 32.500 -0.016 0.000 0.712 402 K HN 0.343 nan 8.250 nan 0.000 0.441 403 L N 0.176 121.364 121.223 -0.059 0.000 2.046 403 L HA -0.210 4.124 4.340 -0.009 0.000 0.208 403 L C 2.542 179.238 176.870 -0.290 0.000 1.077 403 L CA 1.187 55.914 54.840 -0.188 0.000 0.747 403 L CB -0.567 41.352 42.059 -0.233 0.000 0.896 403 L HN 0.242 nan 8.230 nan 0.000 0.432 404 A N 0.423 123.161 122.820 -0.135 0.000 1.835 404 A HA -0.188 4.127 4.320 -0.009 0.000 0.215 404 A C 2.240 179.811 177.584 -0.022 0.000 1.199 404 A CA 1.528 53.561 52.037 -0.007 0.000 0.615 404 A CB -0.908 18.248 19.000 0.261 0.000 0.838 404 A HN 0.310 nan 8.150 nan 0.000 0.444 405 L N -0.769 120.476 121.223 0.037 0.000 2.013 405 L HA -0.275 4.059 4.340 -0.009 0.000 0.212 405 L C 2.354 179.184 176.870 -0.065 0.000 1.073 405 L CA 2.074 56.939 54.840 0.041 0.000 0.753 405 L CB -0.830 41.242 42.059 0.021 0.000 0.890 405 L HN 0.406 nan 8.230 nan 0.000 0.432 406 D N -0.483 119.843 120.400 -0.124 0.000 2.221 406 D HA -0.217 4.417 4.640 -0.009 0.000 0.204 406 D C 2.177 178.322 176.300 -0.258 0.000 0.982 406 D CA 1.100 55.005 54.000 -0.159 0.000 0.857 406 D CB 0.128 40.837 40.800 -0.152 0.000 0.934 406 D HN 0.176 nan 8.370 nan 0.000 0.475 407 K N -0.904 119.224 120.400 -0.453 0.000 2.067 407 K HA -0.066 4.248 4.320 -0.009 0.000 0.203 407 K C 0.953 177.200 176.600 -0.589 0.000 1.048 407 K CA 1.085 56.951 56.287 -0.701 0.000 0.954 407 K CB 0.081 31.820 32.500 -1.269 0.000 0.737 407 K HN 0.238 nan 8.250 nan 0.000 0.444 408 W N -0.676 120.439 121.300 -0.309 0.000 2.865 408 W HA 0.493 5.147 4.660 -0.009 0.000 0.300 408 W C 0.452 176.746 176.519 -0.375 0.000 1.096 408 W CA 0.005 57.090 57.345 -0.434 0.000 1.524 408 W CB 0.189 29.148 29.460 -0.835 0.000 0.991 408 W HN 0.220 nan 8.180 nan 0.000 0.571 409 G N 0.000 108.799 108.800 -0.001 0.000 5.446 409 G HA2 0.000 3.954 3.960 -0.009 0.000 0.244 409 G HA3 0.000 3.954 3.960 -0.009 0.000 0.244 409 G CA 0.000 45.130 45.100 0.051 0.000 0.502 409 G HN 0.000 nan 8.290 nan 0.000 0.925