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 2i7p_1_C DATA FIRST_RESID 7 DATA SEQUENCE VPRGSPWFGM DIGGTLVKLS YFEPIDITAE EEQEEVESLK SIRKYLTSNX DATA SEQUENCE XXXXXXXRDV HLELKDLTLF GRRGNLHFIR FPTQDLPTFI QMGRDKNFST DATA SEQUENCE LQTVLCATGG GAYKFEKDFX XXGNLHLHKL DELDCLVKGL LYIDSVSFNG DATA SEQUENCE QAECYYFANA SEPERCQKMP FNLDDPYPLL VVNIGSGVSI LAVHSKDNYK DATA SEQUENCE RVTGTSLGGG TFLGLCSLLT GCESFEEALE MASKGDSTQA DKLVRDIYGG DATA SEQUENCE DYERFGLPGW AVASSFGNMI YKEKRESVSK EDLARATLVT ITNNIGSVAR DATA SEQUENCE MCAVNEKINR VVFVGNFLRV NTLSMKLLAY ALDYWSKGQL KALFLEHEGY DATA SEQUENCE FGAVGALLG 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 175.721 176.094 -0.622 0.000 1.182 7 V CA 0.000 61.966 62.300 -0.557 0.000 1.235 7 V CB 0.000 31.710 31.823 -0.189 0.000 1.184 8 P HA 0.334 nan 4.420 nan 0.000 0.265 8 P C 0.784 177.954 177.300 -0.217 0.000 1.193 8 P CA -0.077 62.604 63.100 -0.697 0.000 0.765 8 P CB 0.814 31.835 31.700 -1.132 0.000 0.823 9 R N 1.695 122.119 120.500 -0.127 0.000 2.155 9 R HA 0.025 4.376 4.340 0.017 0.000 0.215 9 R C 1.536 177.885 176.300 0.082 0.000 1.123 9 R CA 1.306 57.398 56.100 -0.013 0.000 0.882 9 R CB -1.168 29.122 30.300 -0.018 0.000 0.789 9 R HN 0.630 nan 8.270 nan 0.000 0.452 10 G N -0.156 108.692 108.800 0.081 0.000 2.647 10 G HA2 0.209 4.180 3.960 0.017 0.000 0.271 10 G HA3 0.209 4.180 3.960 0.017 0.000 0.271 10 G C -0.477 174.542 174.900 0.198 0.000 1.300 10 G CA 0.117 45.287 45.100 0.117 0.000 0.997 10 G HN 0.490 nan 8.290 nan 0.000 0.533 11 S N -0.603 115.164 115.700 0.111 0.000 2.570 11 S HA 0.726 5.206 4.470 0.017 0.000 0.270 11 S C -3.137 171.401 174.600 -0.103 0.000 1.149 11 S CA -1.123 57.081 58.200 0.006 0.000 0.837 11 S CB 2.537 65.653 63.200 -0.141 0.000 1.124 11 S HN 0.604 nan 8.310 nan 0.000 0.465 12 P HA 0.304 nan 4.420 nan 0.000 0.276 12 P C -0.994 176.418 177.300 0.186 0.000 1.261 12 P CA -0.404 62.591 63.100 -0.175 0.000 0.800 12 P CB 0.374 31.907 31.700 -0.278 0.000 1.066 13 W N 1.555 122.963 121.300 0.180 0.000 2.338 13 W HA 0.387 5.057 4.660 0.017 0.000 0.307 13 W C 0.048 176.744 176.519 0.295 0.000 1.167 13 W CA 0.043 57.469 57.345 0.134 0.000 1.208 13 W CB -0.673 28.889 29.460 0.170 0.000 1.228 13 W HN 0.299 nan 8.180 nan 0.000 0.499 14 F N 0.265 120.450 119.950 0.392 0.000 2.686 14 F HA 0.905 5.442 4.527 0.017 0.000 0.311 14 F C -0.398 175.538 175.800 0.226 0.000 1.128 14 F CA -1.932 56.263 58.000 0.326 0.000 0.946 14 F CB 1.215 40.428 39.000 0.354 0.000 1.336 14 F HN 0.374 nan 8.300 nan 0.000 0.457 15 G N 1.512 110.581 108.800 0.448 0.000 2.682 15 G HA2 0.656 4.627 3.960 0.017 0.000 0.300 15 G HA3 0.656 4.627 3.960 0.017 0.000 0.300 15 G C -1.772 173.319 174.900 0.317 0.000 1.391 15 G CA -1.131 44.131 45.100 0.269 0.000 0.990 15 G HN 1.060 nan 8.290 nan 0.000 0.501 16 M N 0.743 120.480 119.600 0.229 0.000 2.518 16 M HA 0.702 5.192 4.480 0.017 0.000 0.300 16 M C -2.051 174.262 176.300 0.021 0.000 1.175 16 M CA -0.962 54.407 55.300 0.116 0.000 0.890 16 M CB 3.084 35.730 32.600 0.076 0.000 1.710 16 M HN 0.315 nan 8.290 nan 0.000 0.453 17 D N 3.409 123.784 120.400 -0.043 0.000 2.464 17 D HA 0.449 5.100 4.640 0.017 0.000 0.243 17 D C -1.224 174.986 176.300 -0.151 0.000 1.104 17 D CA -0.300 53.653 54.000 -0.078 0.000 0.883 17 D CB 0.775 41.534 40.800 -0.068 0.000 1.050 17 D HN 0.744 nan 8.370 nan 0.000 0.524 18 I N 3.265 123.747 120.570 -0.148 0.000 2.308 18 I HA 0.345 4.525 4.170 0.017 0.000 0.293 18 I C 1.347 177.386 176.117 -0.130 0.000 1.078 18 I CA -0.450 60.740 61.300 -0.184 0.000 1.292 18 I CB 1.139 39.030 38.000 -0.182 0.000 1.423 18 I HN 0.262 nan 8.210 nan 0.000 0.493 19 G N 3.494 112.209 108.800 -0.142 0.000 2.535 19 G HA2 0.387 4.358 3.960 0.017 0.000 0.303 19 G HA3 0.387 4.358 3.960 0.017 0.000 0.303 19 G C 1.011 175.877 174.900 -0.056 0.000 1.237 19 G CA -0.238 44.806 45.100 -0.093 0.000 0.986 19 G HN 0.700 nan 8.290 nan 0.000 0.494 20 G N -1.549 107.235 108.800 -0.027 0.000 2.448 20 G HA2 0.007 3.978 3.960 0.017 0.000 0.219 20 G HA3 0.007 3.978 3.960 0.017 0.000 0.219 20 G C 1.236 176.138 174.900 0.004 0.000 1.127 20 G CA 1.819 46.922 45.100 0.005 0.000 0.766 20 G HN 0.592 nan 8.290 nan 0.000 0.552 21 T N -0.745 113.796 114.554 -0.021 0.000 3.028 21 T HA 0.366 4.727 4.350 0.017 0.000 0.250 21 T C 0.482 175.149 174.700 -0.055 0.000 0.979 21 T CA -0.153 61.937 62.100 -0.017 0.000 1.004 21 T CB 0.325 69.191 68.868 -0.004 0.000 1.120 21 T HN -0.030 nan 8.240 nan 0.000 0.482 22 L N 1.551 122.711 121.223 -0.105 0.000 2.354 22 L HA 0.697 5.048 4.340 0.017 0.000 0.269 22 L C -1.033 175.656 176.870 -0.303 0.000 1.005 22 L CA -1.143 53.585 54.840 -0.186 0.000 0.819 22 L CB 2.490 44.456 42.059 -0.156 0.000 1.311 22 L HN -0.116 nan 8.230 nan 0.000 0.423 23 V N 1.833 121.424 119.914 -0.538 0.000 2.483 23 V HA 0.382 4.513 4.120 0.017 0.000 0.295 23 V C -0.306 175.425 176.094 -0.605 0.000 1.035 23 V CA -0.735 61.161 62.300 -0.675 0.000 0.896 23 V CB 1.750 32.869 31.823 -1.173 0.000 0.986 23 V HN 0.565 nan 8.190 nan 0.000 0.447 24 K N 3.988 124.171 120.400 -0.361 0.000 2.265 24 K HA 0.709 5.039 4.320 0.017 0.000 0.267 24 K C -1.100 175.492 176.600 -0.012 0.000 0.994 24 K CA -0.237 55.932 56.287 -0.196 0.000 0.860 24 K CB 1.532 33.842 32.500 -0.316 0.000 1.099 24 K HN 0.519 nan 8.250 nan 0.000 0.448 25 L N 1.398 122.734 121.223 0.189 0.000 2.385 25 L HA 0.610 4.960 4.340 0.017 0.000 0.273 25 L C -0.979 176.093 176.870 0.336 0.000 0.990 25 L CA -0.076 54.897 54.840 0.223 0.000 0.821 25 L CB 2.210 44.350 42.059 0.135 0.000 1.279 25 L HN 0.533 nan 8.230 nan 0.000 0.412 26 S N 3.526 119.403 115.700 0.295 0.000 2.482 26 S HA 0.791 5.271 4.470 0.017 0.000 0.303 26 S C -1.381 173.382 174.600 0.272 0.000 1.091 26 S CA -0.358 57.903 58.200 0.102 0.000 1.057 26 S CB 0.700 63.939 63.200 0.065 0.000 1.031 26 S HN 0.598 nan 8.310 nan 0.000 0.485 27 Y N 2.001 122.353 120.300 0.086 0.000 2.534 27 Y HA 0.763 5.323 4.550 0.017 0.000 0.345 27 Y C -1.550 174.504 175.900 0.256 0.000 1.031 27 Y CA -1.638 56.614 58.100 0.253 0.000 1.022 27 Y CB 0.699 39.310 38.460 0.252 0.000 1.292 27 Y HN 0.511 nan 8.280 nan 0.000 0.459 28 F N 3.188 123.323 119.950 0.308 0.000 2.415 28 F HA 0.416 4.953 4.527 0.017 0.000 0.348 28 F C -0.133 175.782 175.800 0.192 0.000 1.119 28 F CA -0.596 57.519 58.000 0.192 0.000 1.069 28 F CB 1.168 40.362 39.000 0.323 0.000 1.124 28 F HN 0.764 nan 8.300 nan 0.000 0.472 29 E N 8.963 128.916 120.200 -0.412 0.000 2.035 29 E HA 0.278 4.639 4.350 0.017 0.000 0.271 29 E C -2.617 173.587 176.600 -0.660 0.000 0.953 29 E CA -2.524 53.701 56.400 -0.292 0.000 0.777 29 E CB 0.906 30.621 29.700 0.026 0.000 1.104 29 E HN 0.293 nan 8.360 nan 0.000 0.408 30 P HA 0.023 nan 4.420 nan 0.000 0.271 30 P C 0.608 177.788 177.300 -0.200 0.000 1.216 30 P CA 0.164 63.043 63.100 -0.368 0.000 0.776 30 P CB 0.847 32.444 31.700 -0.172 0.000 0.881 31 I N -1.638 118.856 120.570 -0.126 0.000 4.070 31 I HA 0.310 4.490 4.170 0.017 0.000 0.328 31 I C -0.210 175.892 176.117 -0.024 0.000 1.298 31 I CA 0.164 61.425 61.300 -0.066 0.000 1.173 31 I CB 0.102 38.071 38.000 -0.052 0.000 1.051 31 I HN -0.038 nan 8.210 nan 0.000 0.409 32 D N 3.990 124.387 120.400 -0.005 0.000 2.485 32 D HA 0.478 5.129 4.640 0.017 0.000 0.221 32 D C -0.272 176.030 176.300 0.003 0.000 1.112 32 D CA 0.121 54.128 54.000 0.012 0.000 0.911 32 D CB 1.654 42.476 40.800 0.037 0.000 1.019 32 D HN 0.293 nan 8.370 nan 0.000 0.516 33 I N 0.963 121.529 120.570 -0.006 0.000 2.404 33 I HA 0.172 4.353 4.170 0.017 0.000 0.293 33 I C 1.329 177.445 176.117 -0.002 0.000 0.992 33 I CA -0.378 60.915 61.300 -0.011 0.000 1.149 33 I CB 2.023 40.010 38.000 -0.022 0.000 1.315 33 I HN 0.148 nan 8.210 nan 0.000 0.446 34 T N 0.773 115.328 114.554 0.001 0.000 2.986 34 T HA 0.419 4.779 4.350 0.017 0.000 0.264 34 T C 0.341 175.043 174.700 0.004 0.000 0.964 34 T CA -0.206 61.897 62.100 0.005 0.000 0.895 34 T CB 0.528 69.403 68.868 0.011 0.000 1.163 34 T HN 0.529 nan 8.240 nan 0.000 0.517 35 A N 1.285 124.105 122.820 0.000 0.000 2.303 35 A HA 0.634 4.964 4.320 0.017 0.000 0.320 35 A C 0.984 178.568 177.584 0.000 0.000 1.192 35 A CA -0.559 51.480 52.037 0.002 0.000 0.821 35 A CB 1.159 20.160 19.000 0.002 0.000 1.188 35 A HN 0.331 nan 8.150 nan 0.000 0.492 36 E N 1.788 121.990 120.200 0.003 0.000 2.171 36 E HA -0.274 4.087 4.350 0.017 0.000 0.197 36 E C 1.502 178.105 176.600 0.006 0.000 0.997 36 E CA 1.894 58.296 56.400 0.004 0.000 0.810 36 E CB 0.105 29.808 29.700 0.005 0.000 0.738 36 E HN 0.889 nan 8.360 nan 0.000 0.467 37 E N 0.259 120.464 120.200 0.008 0.000 2.204 37 E HA -0.231 4.130 4.350 0.017 0.000 0.194 37 E C 1.918 178.524 176.600 0.011 0.000 0.989 37 E CA 1.224 57.633 56.400 0.015 0.000 0.824 37 E CB 0.021 29.732 29.700 0.018 0.000 0.756 37 E HN 0.333 nan 8.360 nan 0.000 0.477 38 E N -0.276 119.920 120.200 -0.006 0.000 2.170 38 E HA -0.189 4.171 4.350 0.017 0.000 0.191 38 E C 2.046 178.630 176.600 -0.026 0.000 0.981 38 E CA 0.547 56.929 56.400 -0.029 0.000 0.830 38 E CB 0.089 29.762 29.700 -0.045 0.000 0.775 38 E HN 0.103 nan 8.360 nan 0.000 0.470 39 Q N 1.548 121.340 119.800 -0.013 0.000 2.084 39 Q HA -0.231 4.119 4.340 0.017 0.000 0.202 39 Q C 1.751 177.751 176.000 0.001 0.000 0.978 39 Q CA 2.351 58.149 55.803 -0.009 0.000 0.844 39 Q CB -0.145 28.591 28.738 -0.004 0.000 0.898 39 Q HN 0.534 nan 8.270 nan 0.000 0.426 40 E N -0.750 119.457 120.200 0.012 0.000 2.358 40 E HA -0.169 4.192 4.350 0.017 0.000 0.195 40 E C 1.770 178.404 176.600 0.056 0.000 1.010 40 E CA 0.911 57.326 56.400 0.025 0.000 0.856 40 E CB -0.241 29.473 29.700 0.023 0.000 0.795 40 E HN 0.557 nan 8.360 nan 0.000 0.504 41 E N 0.892 121.125 120.200 0.054 0.000 2.106 41 E HA -0.129 4.231 4.350 0.017 0.000 0.192 41 E C 1.995 178.608 176.600 0.021 0.000 0.984 41 E CA 1.110 57.558 56.400 0.081 0.000 0.806 41 E CB 0.239 29.918 29.700 -0.034 0.000 0.750 41 E HN 0.214 nan 8.360 nan 0.000 0.458 42 V N 1.350 121.256 119.914 -0.013 0.000 2.453 42 V HA -0.199 3.932 4.120 0.017 0.000 0.247 42 V C 1.919 178.016 176.094 0.004 0.000 1.048 42 V CA 1.907 64.196 62.300 -0.017 0.000 1.049 42 V CB -0.379 31.430 31.823 -0.024 0.000 0.672 42 V HN 0.268 nan 8.190 nan 0.000 0.457 43 E N 0.094 120.302 120.200 0.012 0.000 2.106 43 E HA -0.141 4.219 4.350 0.017 0.000 0.192 43 E C 2.385 178.992 176.600 0.011 0.000 0.984 43 E CA 1.408 57.813 56.400 0.009 0.000 0.806 43 E CB -0.192 29.512 29.700 0.007 0.000 0.750 43 E HN 0.497 nan 8.360 nan 0.000 0.458 44 S N 1.164 116.890 115.700 0.043 0.000 2.368 44 S HA -0.093 4.387 4.470 0.017 0.000 0.225 44 S C 2.033 176.656 174.600 0.038 0.000 1.030 44 S CA 0.732 58.960 58.200 0.047 0.000 0.999 44 S CB -0.164 63.109 63.200 0.122 0.000 0.844 44 S HN 0.182 nan 8.310 nan 0.000 0.459 45 L N 1.279 122.529 121.223 0.046 0.000 2.083 45 L HA -0.150 4.201 4.340 0.017 0.000 0.209 45 L C 2.555 179.332 176.870 -0.155 0.000 1.083 45 L CA 1.305 56.077 54.840 -0.114 0.000 0.752 45 L CB -0.406 41.512 42.059 -0.236 0.000 0.899 45 L HN 0.296 nan 8.230 nan 0.000 0.433 46 K N -0.241 120.118 120.400 -0.068 0.000 2.057 46 K HA -0.147 4.183 4.320 0.017 0.000 0.206 46 K C 2.253 178.837 176.600 -0.025 0.000 1.050 46 K CA 1.607 57.869 56.287 -0.042 0.000 0.935 46 K CB 0.052 32.542 32.500 -0.016 0.000 0.715 46 K HN 0.107 nan 8.250 nan 0.000 0.439 47 S N 1.082 116.769 115.700 -0.022 0.000 2.356 47 S HA -0.123 4.357 4.470 0.017 0.000 0.223 47 S C 1.886 176.484 174.600 -0.003 0.000 1.032 47 S CA 1.432 59.625 58.200 -0.012 0.000 1.005 47 S CB -0.268 62.913 63.200 -0.032 0.000 0.867 47 S HN 0.273 nan 8.310 nan 0.000 0.449 48 I N 1.254 121.802 120.570 -0.037 0.000 2.127 48 I HA -0.263 3.917 4.170 0.017 0.000 0.241 48 I C 2.725 178.843 176.117 0.002 0.000 1.075 48 I CA 1.502 62.785 61.300 -0.028 0.000 1.334 48 I CB -0.344 37.631 38.000 -0.042 0.000 1.040 48 I HN 0.245 nan 8.210 nan 0.000 0.405 49 R N 1.536 122.015 120.500 -0.035 0.000 2.083 49 R HA -0.217 4.133 4.340 0.017 0.000 0.237 49 R C 2.262 178.585 176.300 0.038 0.000 1.137 49 R CA 1.748 57.855 56.100 0.011 0.000 0.951 49 R CB -0.127 30.206 30.300 0.055 0.000 0.851 49 R HN 0.268 nan 8.270 nan 0.000 0.434 50 K N -0.765 119.659 120.400 0.040 0.000 2.097 50 K HA -0.220 4.111 4.320 0.017 0.000 0.206 50 K C 2.043 178.675 176.600 0.052 0.000 1.049 50 K CA 1.749 58.062 56.287 0.043 0.000 0.933 50 K CB -0.333 32.191 32.500 0.040 0.000 0.717 50 K HN 0.285 nan 8.250 nan 0.000 0.442 51 Y N 1.574 121.848 120.300 -0.044 0.000 2.184 51 Y HA -0.132 4.429 4.550 0.017 0.000 0.290 51 Y C 1.827 177.692 175.900 -0.059 0.000 1.129 51 Y CA 1.243 59.314 58.100 -0.049 0.000 1.144 51 Y CB -0.165 38.256 38.460 -0.064 0.000 0.995 51 Y HN -0.101 nan 8.280 nan 0.000 0.513 52 L N -0.167 121.058 121.223 0.003 0.000 2.131 52 L HA -0.185 4.165 4.340 0.017 0.000 0.210 52 L C 2.225 179.047 176.870 -0.080 0.000 1.092 52 L CA 1.883 56.635 54.840 -0.147 0.000 0.759 52 L CB -0.895 40.946 42.059 -0.363 0.000 0.903 52 L HN 0.410 nan 8.230 nan 0.000 0.435 53 T N -4.996 109.543 114.554 -0.024 0.000 3.129 53 T HA 0.071 4.431 4.350 0.017 0.000 0.251 53 T C 0.869 175.553 174.700 -0.027 0.000 1.117 53 T CA -0.198 61.916 62.100 0.024 0.000 1.034 53 T CB -0.097 68.809 68.868 0.063 0.000 0.968 53 T HN 0.023 nan 8.240 nan 0.000 0.526 54 S N 3.134 118.772 115.700 -0.104 0.000 2.437 54 S HA 0.285 4.766 4.470 0.017 0.000 0.304 54 S C 0.219 174.756 174.600 -0.104 0.000 1.167 54 S CA -0.550 57.583 58.200 -0.112 0.000 1.106 54 S CB -0.224 62.868 63.200 -0.180 0.000 1.099 54 S HN 0.443 nan 8.310 nan 0.000 0.524 65 D N 1.454 121.877 120.400 0.038 0.000 2.178 65 D HA -0.068 4.582 4.640 0.017 0.000 0.201 65 D C 1.764 178.083 176.300 0.030 0.000 0.980 65 D CA 1.217 55.232 54.000 0.024 0.000 0.842 65 D CB 0.131 40.988 40.800 0.095 0.000 0.948 65 D HN 0.021 nan 8.370 nan 0.000 0.472 66 V N 0.964 120.876 119.914 -0.003 0.000 2.490 66 V HA -0.201 3.930 4.120 0.017 0.000 0.250 66 V C 1.948 178.044 176.094 0.003 0.000 1.061 66 V CA 1.363 63.652 62.300 -0.019 0.000 1.064 66 V CB -0.522 31.221 31.823 -0.133 0.000 0.670 66 V HN 0.306 nan 8.190 nan 0.000 0.461 67 H N -0.629 118.492 119.070 0.085 0.000 2.555 67 H HA 0.156 4.722 4.556 0.017 0.000 0.269 67 H C 1.920 177.375 175.328 0.211 0.000 0.988 67 H CA 0.693 56.809 56.048 0.114 0.000 1.178 67 H CB 0.088 29.896 29.762 0.078 0.000 1.373 67 H HN 0.365 nan 8.280 nan 0.000 0.588 68 L N 0.257 121.590 121.223 0.185 0.000 2.567 68 L HA 0.063 4.413 4.340 0.017 0.000 0.225 68 L C 1.092 178.128 176.870 0.275 0.000 1.119 68 L CA 0.027 54.837 54.840 -0.049 0.000 0.871 68 L CB 0.144 41.832 42.059 -0.618 0.000 1.036 68 L HN 0.125 nan 8.230 nan 0.000 0.459 69 E N 1.873 122.260 120.200 0.312 0.000 2.529 69 E HA -0.019 4.341 4.350 0.017 0.000 0.259 69 E C -0.674 176.089 176.600 0.271 0.000 0.966 69 E CA 0.062 56.600 56.400 0.230 0.000 0.937 69 E CB 0.522 30.232 29.700 0.017 0.000 0.923 69 E HN 0.245 nan 8.360 nan 0.000 0.468 70 L N 5.681 127.027 121.223 0.205 0.000 2.265 70 L HA 0.336 4.686 4.340 0.017 0.000 0.289 70 L C 0.174 177.075 176.870 0.051 0.000 1.033 70 L CA -0.528 54.419 54.840 0.179 0.000 0.814 70 L CB 1.114 43.276 42.059 0.170 0.000 1.203 70 L HN 0.397 nan 8.230 nan 0.000 0.423 71 K N 1.836 122.272 120.400 0.061 0.000 2.118 71 K HA 0.169 4.499 4.320 0.017 0.000 0.267 71 K C -0.168 176.450 176.600 0.029 0.000 0.991 71 K CA -0.757 55.536 56.287 0.009 0.000 0.916 71 K CB 0.966 33.474 32.500 0.015 0.000 1.041 71 K HN 0.488 nan 8.250 nan 0.000 0.455 72 D N 1.913 122.320 120.400 0.012 0.000 2.740 72 D HA -0.172 4.479 4.640 0.017 0.000 0.231 72 D C -0.846 175.502 176.300 0.080 0.000 1.194 72 D CA 0.632 54.656 54.000 0.039 0.000 0.673 72 D CB -0.786 40.032 40.800 0.031 0.000 0.995 72 D HN 0.483 nan 8.370 nan 0.000 0.411 73 L N -2.141 119.160 121.223 0.131 0.000 2.332 73 L HA 0.813 5.163 4.340 0.017 0.000 0.269 73 L C -0.159 176.849 176.870 0.232 0.000 1.016 73 L CA -0.831 54.103 54.840 0.156 0.000 0.809 73 L CB 2.065 44.224 42.059 0.167 0.000 1.280 73 L HN -0.073 nan 8.230 nan 0.000 0.447 74 T N 3.872 118.528 114.554 0.170 0.000 2.756 74 T HA 0.574 4.934 4.350 0.017 0.000 0.290 74 T C -0.597 174.154 174.700 0.085 0.000 0.985 74 T CA -0.206 61.995 62.100 0.167 0.000 0.955 74 T CB 1.004 69.940 68.868 0.113 0.000 0.930 74 T HN 0.469 nan 8.240 nan 0.000 0.451 75 L N 4.480 125.700 121.223 -0.006 0.000 2.381 75 L HA 0.578 4.928 4.340 0.017 0.000 0.274 75 L C -0.195 176.507 176.870 -0.280 0.000 0.988 75 L CA -0.584 54.032 54.840 -0.372 0.000 0.824 75 L CB 0.133 41.743 42.059 -0.748 0.000 1.263 75 L HN 0.834 nan 8.230 nan 0.000 0.410 76 F N 5.075 124.907 119.950 -0.197 0.000 3.091 76 F HA -0.196 4.342 4.527 0.017 0.000 0.288 76 F C 1.561 177.359 175.800 -0.004 0.000 0.907 76 F CA 0.824 58.696 58.000 -0.213 0.000 1.028 76 F CB -1.523 37.120 39.000 -0.595 0.000 1.022 76 F HN 0.954 nan 8.300 nan 0.000 0.665 77 G N -0.191 108.708 108.800 0.166 0.000 2.205 77 G HA2 -0.333 3.637 3.960 0.017 0.000 0.261 77 G HA3 -0.333 3.637 3.960 0.017 0.000 0.261 77 G C 0.224 175.250 174.900 0.210 0.000 0.980 77 G CA 0.257 45.458 45.100 0.169 0.000 0.632 77 G HN 0.518 nan 8.290 nan 0.000 0.533 78 R N 0.107 120.783 120.500 0.292 0.000 2.637 78 R HA 0.617 4.967 4.340 0.017 0.000 0.291 78 R C 0.215 176.762 176.300 0.411 0.000 0.963 78 R CA -0.959 55.343 56.100 0.337 0.000 0.901 78 R CB 1.397 31.951 30.300 0.424 0.000 1.160 78 R HN 0.168 nan 8.270 nan 0.000 0.457 79 R N 0.586 121.269 120.500 0.305 0.000 2.490 79 R HA 0.513 4.863 4.340 0.017 0.000 0.278 79 R C 0.222 176.671 176.300 0.248 0.000 1.069 79 R CA -0.113 56.149 56.100 0.270 0.000 1.080 79 R CB 1.353 31.733 30.300 0.134 0.000 1.030 79 R HN 0.881 nan 8.270 nan 0.000 0.491 80 G N 1.090 109.971 108.800 0.134 0.000 2.342 80 G HA2 0.102 4.072 3.960 0.017 0.000 0.297 80 G HA3 0.102 4.072 3.960 0.017 0.000 0.297 80 G C -1.748 172.970 174.900 -0.303 0.000 1.313 80 G CA -0.849 44.018 45.100 -0.389 0.000 0.830 80 G HN 0.466 nan 8.290 nan 0.000 0.506 81 N N -0.189 118.225 118.700 -0.476 0.000 2.362 81 N HA 0.529 5.279 4.740 0.017 0.000 0.298 81 N C -1.248 174.025 175.510 -0.395 0.000 1.048 81 N CA -0.492 52.356 53.050 -0.336 0.000 0.858 81 N CB 2.491 40.759 38.487 -0.365 0.000 1.218 81 N HN 0.417 nan 8.380 nan 0.000 0.488 82 L N 3.340 124.408 121.223 -0.257 0.000 2.257 82 L HA 0.296 4.647 4.340 0.017 0.000 0.290 82 L C -0.194 176.249 176.870 -0.711 0.000 1.044 82 L CA -0.234 54.421 54.840 -0.308 0.000 0.810 82 L CB 0.000 42.008 42.059 -0.086 0.000 1.193 82 L HN 0.462 nan 8.230 nan 0.000 0.425 83 H N 4.725 123.284 119.070 -0.851 0.000 2.525 83 H HA 0.477 5.043 4.556 0.017 0.000 0.340 83 H C -1.253 173.396 175.328 -1.132 0.000 1.168 83 H CA -0.196 55.313 56.048 -0.898 0.000 1.247 83 H CB 1.441 30.455 29.762 -1.246 0.000 1.568 83 H HN 0.432 nan 8.280 nan 0.000 0.536 84 F N 1.905 121.728 119.950 -0.211 0.000 2.562 84 F HA 0.377 4.915 4.527 0.017 0.000 0.319 84 F C 0.118 175.809 175.800 -0.182 0.000 1.154 84 F CA -0.789 56.965 58.000 -0.411 0.000 0.931 84 F CB 1.343 39.675 39.000 -1.112 0.000 1.198 84 F HN 0.338 nan 8.300 nan 0.000 0.444 85 I N 0.800 121.536 120.570 0.277 0.000 2.894 85 I HA 0.836 5.016 4.170 0.017 0.000 0.302 85 I C -1.298 175.090 176.117 0.452 0.000 1.188 85 I CA -1.251 60.267 61.300 0.364 0.000 1.014 85 I CB 2.866 41.070 38.000 0.341 0.000 1.242 85 I HN 0.694 nan 8.210 nan 0.000 0.430 86 R N 3.444 124.145 120.500 0.336 0.000 2.686 86 R HA 0.840 5.190 4.340 0.017 0.000 0.286 86 R C -1.884 174.520 176.300 0.173 0.000 0.969 86 R CA -0.570 55.603 56.100 0.123 0.000 0.898 86 R CB 1.972 32.303 30.300 0.051 0.000 1.183 86 R HN 0.788 nan 8.270 nan 0.000 0.456 87 F N -1.758 118.185 119.950 -0.013 0.000 2.668 87 F HA 0.648 5.186 4.527 0.018 0.000 0.309 87 F C -3.034 172.745 175.800 -0.034 0.000 1.117 87 F CA -3.294 54.691 58.000 -0.025 0.000 0.951 87 F CB 0.946 39.927 39.000 -0.032 0.000 1.323 87 F HN 0.341 nan 8.300 nan 0.000 0.451 88 P HA 0.148 nan 4.420 nan 0.000 0.268 88 P C 0.546 177.920 177.300 0.122 0.000 1.204 88 P CA 0.216 63.372 63.100 0.094 0.000 0.768 88 P CB 0.938 32.705 31.700 0.112 0.000 0.842 89 T N 1.343 115.900 114.554 0.006 0.000 2.897 89 T HA -0.210 4.150 4.350 0.017 0.000 0.271 89 T C 1.648 176.437 174.700 0.148 0.000 1.084 89 T CA 1.392 63.496 62.100 0.007 0.000 1.123 89 T CB -0.348 68.516 68.868 -0.007 0.000 0.865 89 T HN 0.486 nan 8.240 nan 0.000 0.496 90 Q N 1.588 121.484 119.800 0.160 0.000 2.170 90 Q HA -0.123 4.228 4.340 0.017 0.000 0.203 90 Q C 1.383 177.518 176.000 0.224 0.000 0.976 90 Q CA 1.457 57.370 55.803 0.183 0.000 0.858 90 Q CB -0.194 28.626 28.738 0.136 0.000 0.907 90 Q HN 0.422 nan 8.270 nan 0.000 0.433 91 D N -0.602 119.951 120.400 0.255 0.000 2.349 91 D HA -0.023 4.627 4.640 0.017 0.000 0.214 91 D C 1.259 177.731 176.300 0.288 0.000 1.063 91 D CA -0.039 54.116 54.000 0.258 0.000 0.847 91 D CB 0.342 41.271 40.800 0.214 0.000 0.933 91 D HN 0.234 nan 8.370 nan 0.000 0.513 92 L N 1.775 123.202 121.223 0.341 0.000 2.046 92 L HA -0.052 4.298 4.340 0.017 0.000 0.208 92 L C -0.909 176.156 176.870 0.325 0.000 1.077 92 L CA 2.040 57.055 54.840 0.292 0.000 0.747 92 L CB -1.263 40.707 42.059 -0.148 0.000 0.896 92 L HN -0.076 nan 8.230 nan 0.000 0.432 93 P HA -0.113 nan 4.420 nan 0.000 0.216 93 P C 1.596 179.073 177.300 0.294 0.000 1.150 93 P CA 1.659 65.048 63.100 0.482 0.000 0.837 93 P CB -0.097 31.901 31.700 0.497 0.000 0.786 94 T N -0.966 113.715 114.554 0.213 0.000 2.708 94 T HA -0.158 4.203 4.350 0.017 0.000 0.266 94 T C 1.421 176.137 174.700 0.026 0.000 1.037 94 T CA 1.021 63.177 62.100 0.093 0.000 1.146 94 T CB -1.016 67.913 68.868 0.101 0.000 0.865 94 T HN 0.026 nan 8.240 nan 0.000 0.435 95 F N 2.103 121.998 119.950 -0.092 0.000 2.095 95 F HA -0.127 4.411 4.527 0.017 0.000 0.298 95 F C 1.919 177.648 175.800 -0.117 0.000 1.104 95 F CA 0.968 58.861 58.000 -0.177 0.000 1.232 95 F CB -0.433 38.434 39.000 -0.221 0.000 0.987 95 F HN 0.021 nan 8.300 nan 0.000 0.475 96 I N 0.313 120.835 120.570 -0.080 0.000 2.179 96 I HA -0.283 3.897 4.170 0.017 0.000 0.242 96 I C 2.393 178.428 176.117 -0.136 0.000 1.088 96 I CA 1.509 62.728 61.300 -0.135 0.000 1.357 96 I CB -1.617 36.373 38.000 -0.017 0.000 1.051 96 I HN 0.273 nan 8.210 nan 0.000 0.409 97 Q N 0.701 120.475 119.800 -0.043 0.000 2.119 97 Q HA -0.125 4.225 4.340 0.017 0.000 0.201 97 Q C 2.250 178.127 176.000 -0.206 0.000 0.972 97 Q CA 1.567 57.333 55.803 -0.062 0.000 0.847 97 Q CB -0.217 28.517 28.738 -0.007 0.000 0.903 97 Q HN 0.441 nan 8.270 nan 0.000 0.433 98 M N -1.182 118.240 119.600 -0.296 0.000 2.108 98 M HA -0.100 4.390 4.480 0.017 0.000 0.261 98 M C 2.062 177.996 176.300 -0.611 0.000 1.066 98 M CA 1.635 56.688 55.300 -0.412 0.000 1.107 98 M CB -0.718 31.631 32.600 -0.418 0.000 1.356 98 M HN 0.395 nan 8.290 nan 0.000 0.406 99 G N 0.533 108.923 108.800 -0.684 0.000 2.491 99 G HA2 -0.234 3.736 3.960 0.017 0.000 0.218 99 G HA3 -0.234 3.736 3.960 0.017 0.000 0.218 99 G C 1.629 176.225 174.900 -0.508 0.000 1.180 99 G CA 0.917 45.560 45.100 -0.761 0.000 0.774 99 G HN 0.404 nan 8.290 nan 0.000 0.562 100 R N 0.176 120.516 120.500 -0.266 0.000 2.096 100 R HA -0.031 4.319 4.340 0.017 0.000 0.235 100 R C 2.224 178.421 176.300 -0.171 0.000 1.127 100 R CA 1.373 57.391 56.100 -0.138 0.000 0.968 100 R CB -0.290 29.979 30.300 -0.051 0.000 0.861 100 R HN 0.238 nan 8.270 nan 0.000 0.440 101 D N 0.419 120.683 120.400 -0.226 0.000 2.144 101 D HA -0.083 4.568 4.640 0.017 0.000 0.200 101 D C 1.128 177.285 176.300 -0.239 0.000 0.978 101 D CA 1.101 54.982 54.000 -0.199 0.000 0.833 101 D CB 0.104 40.785 40.800 -0.199 0.000 0.961 101 D HN -0.059 nan 8.370 nan 0.000 0.470 102 K N 0.976 121.128 120.400 -0.413 0.000 2.469 102 K HA 0.099 4.429 4.320 0.017 0.000 0.201 102 K C -0.184 176.260 176.600 -0.259 0.000 1.028 102 K CA -0.197 55.834 56.287 -0.426 0.000 1.170 102 K CB -0.140 31.900 32.500 -0.766 0.000 0.874 102 K HN 0.085 nan 8.250 nan 0.000 0.507 103 N N 1.334 119.941 118.700 -0.155 0.000 2.714 103 N HA -0.192 4.559 4.740 0.017 0.000 0.253 103 N C -1.089 174.572 175.510 0.252 0.000 1.024 103 N CA 0.705 53.774 53.050 0.031 0.000 0.726 103 N CB -1.105 37.413 38.487 0.051 0.000 0.908 103 N HN 0.072 nan 8.380 nan 0.000 0.542 104 F N 0.823 120.762 119.950 -0.017 0.000 2.421 104 F HA 0.151 4.689 4.527 0.017 0.000 0.358 104 F C 2.068 177.901 175.800 0.055 0.000 1.115 104 F CA -1.432 56.580 58.000 0.019 0.000 1.160 104 F CB 0.891 39.894 39.000 0.005 0.000 1.123 104 F HN 0.044 nan 8.300 nan 0.000 0.508 105 S N 0.192 116.030 115.700 0.230 0.000 2.447 105 S HA -0.160 4.320 4.470 0.017 0.000 0.233 105 S C 1.772 176.472 174.600 0.167 0.000 1.006 105 S CA 1.222 59.518 58.200 0.159 0.000 0.957 105 S CB -0.833 62.434 63.200 0.112 0.000 0.773 105 S HN 0.698 nan 8.310 nan 0.000 0.507 106 T N 0.132 114.811 114.554 0.209 0.000 3.023 106 T HA 0.225 4.585 4.350 0.017 0.000 0.266 106 T C 1.319 176.191 174.700 0.286 0.000 1.093 106 T CA 0.430 62.648 62.100 0.197 0.000 1.129 106 T CB -0.507 68.457 68.868 0.160 0.000 0.899 106 T HN 0.410 nan 8.240 nan 0.000 0.491 107 L N 0.397 121.820 121.223 0.334 0.000 2.791 107 L HA 0.296 4.646 4.340 0.017 0.000 0.239 107 L C 2.082 179.059 176.870 0.179 0.000 1.203 107 L CA -0.230 54.775 54.840 0.275 0.000 1.002 107 L CB 0.032 42.200 42.059 0.183 0.000 1.295 107 L HN 0.155 nan 8.230 nan 0.000 0.504 108 Q N -0.745 119.156 119.800 0.170 0.000 2.377 108 Q HA 0.082 4.432 4.340 0.017 0.000 0.193 108 Q C 1.913 177.992 176.000 0.133 0.000 0.986 108 Q CA 1.032 56.914 55.803 0.133 0.000 0.851 108 Q CB -0.445 28.361 28.738 0.114 0.000 0.986 108 Q HN 0.225 nan 8.270 nan 0.000 0.559 109 T N 2.343 116.971 114.554 0.124 0.000 2.413 109 T HA -0.086 4.275 4.350 0.017 0.000 0.244 109 T C 1.011 175.803 174.700 0.154 0.000 1.300 109 T CA 2.171 64.342 62.100 0.119 0.000 1.251 109 T CB -0.478 68.451 68.868 0.102 0.000 0.865 109 T HN 0.317 nan 8.240 nan 0.000 0.395 110 V N -1.225 118.791 119.914 0.170 0.000 3.049 110 V HA 0.768 4.898 4.120 0.017 0.000 0.309 110 V C -1.291 174.917 176.094 0.189 0.000 1.148 110 V CA -1.568 60.857 62.300 0.209 0.000 0.990 110 V CB 1.983 33.963 31.823 0.262 0.000 1.039 110 V HN 0.294 nan 8.190 nan 0.000 0.430 111 L N 3.446 124.780 121.223 0.186 0.000 2.257 111 L HA 0.722 5.072 4.340 0.017 0.000 0.290 111 L C -0.084 176.877 176.870 0.152 0.000 1.044 111 L CA 0.262 55.219 54.840 0.195 0.000 0.810 111 L CB 0.281 42.463 42.059 0.205 0.000 1.193 111 L HN 0.985 nan 8.230 nan 0.000 0.425 112 C N 4.559 123.925 119.300 0.110 0.000 2.365 112 C HA 0.970 5.440 4.460 0.017 0.000 0.351 112 C C 0.445 175.449 174.990 0.023 0.000 1.240 112 C CA -0.191 58.829 59.018 0.005 0.000 2.062 112 C CB -0.024 27.652 27.740 -0.106 0.000 2.387 112 C HN 1.062 nan 8.230 nan 0.000 0.537 113 A N 1.895 124.694 122.820 -0.035 0.000 2.549 113 A HA 0.747 5.077 4.320 0.017 0.000 0.291 113 A C -0.679 176.861 177.584 -0.073 0.000 1.034 113 A CA -0.195 51.829 52.037 -0.021 0.000 0.655 113 A CB 0.972 19.979 19.000 0.012 0.000 1.299 113 A HN 0.775 nan 8.150 nan 0.000 0.427 114 T N -0.875 113.640 114.554 -0.066 0.000 2.718 114 T HA 0.882 5.242 4.350 0.017 0.000 0.267 114 T C 0.332 174.977 174.700 -0.092 0.000 0.957 114 T CA 1.012 63.062 62.100 -0.084 0.000 1.025 114 T CB 1.271 70.109 68.868 -0.050 0.000 1.355 114 T HN 2.838 nan 8.240 nan 0.000 0.572 115 G N -0.979 107.770 108.800 -0.086 0.000 2.629 115 G HA2 0.186 4.157 3.960 0.017 0.000 0.686 115 G HA3 0.186 4.157 3.960 0.017 0.000 0.686 115 G C 0.645 175.494 174.900 -0.085 0.000 1.232 115 G CA 0.034 45.085 45.100 -0.081 0.000 0.803 115 G HN 1.194 nan 8.290 nan 0.000 0.638 116 G N -0.415 108.354 108.800 -0.051 0.000 2.464 116 G HA2 0.361 4.331 3.960 0.017 0.000 0.217 116 G HA3 0.361 4.331 3.960 0.017 0.000 0.217 116 G C 1.601 176.504 174.900 0.006 0.000 1.138 116 G CA 1.364 46.451 45.100 -0.021 0.000 0.793 116 G HN 1.839 nan 8.290 nan 0.000 0.539 117 G N 0.317 109.117 108.800 0.000 0.000 3.088 117 G HA2 0.341 4.311 3.960 0.017 0.000 0.212 117 G HA3 0.341 4.311 3.960 0.017 0.000 0.212 117 G C 1.609 176.564 174.900 0.092 0.000 1.173 117 G CA 1.067 46.198 45.100 0.052 0.000 0.779 117 G HN 0.491 nan 8.290 nan 0.000 0.540 118 A N 0.756 123.583 122.820 0.011 0.000 1.851 118 A HA -0.062 4.268 4.320 0.017 0.000 0.216 118 A C 2.015 179.686 177.584 0.145 0.000 1.195 118 A CA 1.297 53.342 52.037 0.013 0.000 0.622 118 A CB -0.775 18.116 19.000 -0.181 0.000 0.831 118 A HN 0.450 nan 8.150 nan 0.000 0.444 119 Y N -0.426 119.945 120.300 0.118 0.000 2.145 119 Y HA -0.267 4.293 4.550 0.017 0.000 0.286 119 Y C 2.604 178.570 175.900 0.109 0.000 1.145 119 Y CA 1.531 59.692 58.100 0.101 0.000 1.148 119 Y CB -0.101 38.402 38.460 0.071 0.000 0.981 119 Y HN 0.316 nan 8.280 nan 0.000 0.507 120 K N 0.749 121.319 120.400 0.283 0.000 2.044 120 K HA -0.255 4.076 4.320 0.017 0.000 0.210 120 K C 1.790 178.517 176.600 0.211 0.000 1.049 120 K CA 1.778 58.187 56.287 0.203 0.000 0.927 120 K CB -0.986 31.616 32.500 0.171 0.000 0.713 120 K HN 0.266 nan 8.250 nan 0.000 0.443 121 F N 1.746 121.768 119.950 0.120 0.000 2.075 121 F HA -0.134 4.403 4.527 0.017 0.000 0.297 121 F C 2.124 178.027 175.800 0.173 0.000 1.113 121 F CA 2.232 60.308 58.000 0.127 0.000 1.218 121 F CB -0.668 38.382 39.000 0.084 0.000 0.984 121 F HN 0.312 nan 8.300 nan 0.000 0.472 122 E N 0.152 120.364 120.200 0.021 0.000 2.273 122 E HA -0.267 4.093 4.350 0.017 0.000 0.198 122 E C 1.982 178.566 176.600 -0.027 0.000 1.002 122 E CA 1.453 57.834 56.400 -0.032 0.000 0.828 122 E CB -0.034 29.759 29.700 0.156 0.000 0.747 122 E HN 0.527 nan 8.360 nan 0.000 0.491 123 K N 0.287 120.688 120.400 0.002 0.000 1.980 123 K HA -0.100 4.230 4.320 0.017 0.000 0.208 123 K C 1.910 178.492 176.600 -0.030 0.000 1.043 123 K CA 1.354 57.646 56.287 0.009 0.000 0.938 123 K CB -0.080 32.444 32.500 0.039 0.000 0.724 123 K HN 0.098 nan 8.250 nan 0.000 0.438 124 D N 0.466 120.842 120.400 -0.040 0.000 2.190 124 D HA -0.156 4.495 4.640 0.017 0.000 0.200 124 D C 0.908 177.165 176.300 -0.072 0.000 0.992 124 D CA 0.910 54.891 54.000 -0.031 0.000 0.854 124 D CB -0.209 40.610 40.800 0.031 0.000 0.936 124 D HN -0.015 nan 8.370 nan 0.000 0.462 130 N N -0.667 118.020 118.700 -0.022 0.000 2.408 130 N HA 0.647 5.397 4.740 0.017 0.000 0.280 130 N C -1.524 174.157 175.510 0.285 0.000 1.002 130 N CA -0.539 52.577 53.050 0.109 0.000 0.907 130 N CB 1.542 40.076 38.487 0.079 0.000 1.161 130 N HN 0.518 nan 8.380 nan 0.000 0.488 131 L N 3.150 124.566 121.223 0.321 0.000 2.611 131 L HA 0.297 4.647 4.340 0.017 0.000 0.260 131 L C -1.869 175.178 176.870 0.295 0.000 0.924 131 L CA -0.496 54.548 54.840 0.341 0.000 0.901 131 L CB 1.527 43.837 42.059 0.418 0.000 1.369 131 L HN 0.691 nan 8.230 nan 0.000 0.415 132 H N 3.997 123.164 119.070 0.162 0.000 2.541 132 H HA 0.621 5.188 4.556 0.017 0.000 0.316 132 H C -1.216 174.213 175.328 0.169 0.000 1.043 132 H CA -0.377 55.757 56.048 0.144 0.000 1.232 132 H CB 1.255 31.082 29.762 0.108 0.000 1.406 132 H HN 0.694 nan 8.280 nan 0.000 0.469 133 L N 5.787 126.881 121.223 -0.216 0.000 2.305 133 L HA 0.243 4.593 4.340 0.017 0.000 0.281 133 L C -0.684 176.079 176.870 -0.179 0.000 1.085 133 L CA -0.106 54.681 54.840 -0.088 0.000 0.813 133 L CB 0.415 42.520 42.059 0.076 0.000 1.157 133 L HN 0.838 nan 8.230 nan 0.000 0.436 134 H N 4.003 122.998 119.070 -0.124 0.000 2.700 134 H HA 0.289 4.856 4.556 0.017 0.000 0.269 134 H C -0.528 174.782 175.328 -0.030 0.000 1.222 134 H CA -1.133 54.876 56.048 -0.066 0.000 1.254 134 H CB 0.532 30.291 29.762 -0.005 0.000 1.413 134 H HN 0.611 nan 8.280 nan 0.000 0.507 135 K N 5.107 125.610 120.400 0.173 0.000 2.379 135 K HA 0.175 4.505 4.320 0.017 0.000 0.284 135 K C -1.206 175.390 176.600 -0.006 0.000 1.044 135 K CA -0.100 56.178 56.287 -0.015 0.000 0.974 135 K CB 0.182 32.586 32.500 -0.159 0.000 0.962 135 K HN 0.552 nan 8.250 nan 0.000 0.474 136 L N 2.992 124.157 121.223 -0.097 0.000 2.334 136 L HA 0.351 4.701 4.340 0.017 0.000 0.273 136 L C 0.263 177.105 176.870 -0.047 0.000 1.013 136 L CA -1.057 53.733 54.840 -0.082 0.000 0.816 136 L CB 1.602 43.583 42.059 -0.129 0.000 1.278 136 L HN 0.715 nan 8.230 nan 0.000 0.431 137 D N 1.294 121.689 120.400 -0.007 0.000 2.390 137 D HA -0.017 4.634 4.640 0.017 0.000 0.249 137 D C 0.495 176.798 176.300 0.004 0.000 1.144 137 D CA -0.092 53.913 54.000 0.009 0.000 0.880 137 D CB 1.591 42.415 40.800 0.041 0.000 1.182 137 D HN 0.556 nan 8.370 nan 0.000 0.451 138 E N 2.921 123.120 120.200 -0.002 0.000 2.038 138 E HA -0.168 4.193 4.350 0.017 0.000 0.195 138 E C 1.886 178.494 176.600 0.012 0.000 1.000 138 E CA 1.163 57.564 56.400 0.001 0.000 0.803 138 E CB -0.079 29.619 29.700 -0.004 0.000 0.750 138 E HN 0.560 nan 8.360 nan 0.000 0.448 139 L N 0.897 122.132 121.223 0.021 0.000 2.083 139 L HA -0.187 4.163 4.340 0.017 0.000 0.209 139 L C 1.779 178.651 176.870 0.003 0.000 1.083 139 L CA 1.058 55.907 54.840 0.016 0.000 0.752 139 L CB -0.408 41.677 42.059 0.043 0.000 0.899 139 L HN 0.162 nan 8.230 nan 0.000 0.433 140 D N -0.438 119.994 120.400 0.053 0.000 2.117 140 D HA -0.159 4.492 4.640 0.017 0.000 0.198 140 D C 2.264 178.566 176.300 0.003 0.000 0.982 140 D CA 1.331 55.375 54.000 0.074 0.000 0.828 140 D CB -0.171 40.701 40.800 0.120 0.000 0.967 140 D HN 0.377 nan 8.370 nan 0.000 0.464 141 C N 0.678 119.983 119.300 0.009 0.000 2.429 141 C HA -0.092 4.378 4.460 0.017 0.000 0.277 141 C C 2.721 177.723 174.990 0.019 0.000 1.262 141 C CA -0.011 59.014 59.018 0.012 0.000 1.733 141 C CB -0.991 26.760 27.740 0.018 0.000 2.010 141 C HN 0.327 nan 8.230 nan 0.000 0.483 142 L N 1.117 122.348 121.223 0.013 0.000 1.990 142 L HA -0.135 4.216 4.340 0.017 0.000 0.213 142 L C 2.481 179.294 176.870 -0.096 0.000 1.072 142 L CA 2.126 56.982 54.840 0.026 0.000 0.755 142 L CB -0.946 41.119 42.059 0.011 0.000 0.889 142 L HN 0.208 nan 8.230 nan 0.000 0.432 143 V N -0.036 119.758 119.914 -0.200 0.000 2.255 143 V HA -0.339 3.791 4.120 0.017 0.000 0.247 143 V C 2.705 178.652 176.094 -0.244 0.000 1.051 143 V CA 2.324 64.418 62.300 -0.343 0.000 1.018 143 V CB -0.757 30.643 31.823 -0.706 0.000 0.641 143 V HN 0.555 nan 8.190 nan 0.000 0.445 144 K N -0.019 120.291 120.400 -0.149 0.000 2.032 144 K HA -0.166 4.165 4.320 0.017 0.000 0.209 144 K C 2.151 178.749 176.600 -0.004 0.000 1.048 144 K CA 1.731 57.986 56.287 -0.052 0.000 0.927 144 K CB -0.635 31.856 32.500 -0.015 0.000 0.712 144 K HN 0.511 nan 8.250 nan 0.000 0.441 145 G N 1.354 110.170 108.800 0.027 0.000 2.402 145 G HA2 -0.243 3.727 3.960 0.017 0.000 0.216 145 G HA3 -0.243 3.727 3.960 0.017 0.000 0.216 145 G C 1.468 176.414 174.900 0.077 0.000 1.162 145 G CA 0.669 45.861 45.100 0.155 0.000 0.777 145 G HN 0.325 nan 8.290 nan 0.000 0.539 146 L N 0.042 121.066 121.223 -0.332 0.000 2.017 146 L HA 0.008 4.358 4.340 0.017 0.000 0.208 146 L C 2.813 179.417 176.870 -0.443 0.000 1.073 146 L CA 1.113 55.363 54.840 -0.984 0.000 0.745 146 L CB -0.169 41.241 42.059 -1.081 0.000 0.894 146 L HN 0.196 nan 8.230 nan 0.000 0.432 147 L N -1.477 119.593 121.223 -0.255 0.000 2.083 147 L HA -0.262 4.089 4.340 0.017 0.000 0.209 147 L C 2.521 179.351 176.870 -0.067 0.000 1.083 147 L CA 1.403 56.147 54.840 -0.161 0.000 0.752 147 L CB -0.749 41.272 42.059 -0.063 0.000 0.899 147 L HN 0.355 nan 8.230 nan 0.000 0.433 148 Y N 0.639 120.881 120.300 -0.097 0.000 2.133 148 Y HA -0.242 4.318 4.550 0.017 0.000 0.287 148 Y C 2.514 178.385 175.900 -0.048 0.000 1.134 148 Y CA 1.409 59.474 58.100 -0.059 0.000 1.133 148 Y CB -0.020 38.414 38.460 -0.043 0.000 0.987 148 Y HN -0.059 nan 8.280 nan 0.000 0.502 149 I N 0.641 121.186 120.570 -0.042 0.000 2.208 149 I HA -0.310 3.870 4.170 0.017 0.000 0.245 149 I C 2.121 178.128 176.117 -0.183 0.000 1.097 149 I CA 2.143 63.367 61.300 -0.127 0.000 1.363 149 I CB -1.395 36.661 38.000 0.093 0.000 1.051 149 I HN 0.332 nan 8.210 nan 0.000 0.413 150 D N 0.665 120.982 120.400 -0.139 0.000 2.178 150 D HA -0.154 4.496 4.640 0.017 0.000 0.201 150 D C 2.301 178.514 176.300 -0.144 0.000 0.980 150 D CA 1.500 55.429 54.000 -0.118 0.000 0.842 150 D CB 0.208 40.922 40.800 -0.144 0.000 0.948 150 D HN 0.369 nan 8.370 nan 0.000 0.472 151 S N -0.555 115.023 115.700 -0.202 0.000 2.387 151 S HA -0.138 4.343 4.470 0.017 0.000 0.226 151 S C 2.070 176.549 174.600 -0.203 0.000 1.026 151 S CA 1.176 59.264 58.200 -0.186 0.000 0.972 151 S CB -0.686 62.410 63.200 -0.173 0.000 0.814 151 S HN 0.229 nan 8.310 nan 0.000 0.477 152 V N 0.088 119.813 119.914 -0.316 0.000 3.623 152 V HA 0.300 4.430 4.120 0.017 0.000 0.271 152 V C 0.693 176.719 176.094 -0.114 0.000 1.248 152 V CA -0.185 61.968 62.300 -0.245 0.000 1.156 152 V CB -1.876 29.724 31.823 -0.373 0.000 0.870 152 V HN 1.084 nan 8.190 nan 0.000 0.453 153 S N -0.105 115.546 115.700 -0.081 0.000 3.678 153 S HA -0.291 4.189 4.470 0.017 0.000 0.657 153 S C -0.506 174.163 174.600 0.115 0.000 2.117 153 S CA 0.564 58.778 58.200 0.024 0.000 2.262 153 S CB -1.893 61.327 63.200 0.034 0.000 0.326 153 S HN 1.142 nan 8.310 nan 0.000 1.652 154 F N 2.596 122.550 119.950 0.007 0.000 2.441 154 F HA 0.311 4.848 4.527 0.017 0.000 0.337 154 F C 0.707 176.532 175.800 0.042 0.000 1.182 154 F CA -0.721 57.311 58.000 0.054 0.000 1.279 154 F CB -0.704 38.371 39.000 0.125 0.000 1.614 154 F HN 0.691 nan 8.300 nan 0.000 0.574 155 N N 3.198 122.076 118.700 0.296 0.000 2.735 155 N HA -0.216 4.534 4.740 0.017 0.000 0.248 155 N C 0.985 176.512 175.510 0.029 0.000 1.083 155 N CA 1.132 54.254 53.050 0.120 0.000 0.703 155 N CB -1.371 37.160 38.487 0.074 0.000 1.005 155 N HN 1.005 nan 8.380 nan 0.000 0.550 156 G N -1.294 107.533 108.800 0.045 0.000 2.253 156 G HA2 -0.357 3.613 3.960 0.017 0.000 0.251 156 G HA3 -0.357 3.613 3.960 0.017 0.000 0.251 156 G C 0.225 175.124 174.900 -0.001 0.000 0.998 156 G CA 0.933 46.040 45.100 0.011 0.000 0.621 156 G HN 0.549 nan 8.290 nan 0.000 0.524 157 Q N -0.011 119.778 119.800 -0.019 0.000 2.173 157 Q HA 0.698 5.049 4.340 0.017 0.000 0.186 157 Q C 0.537 176.577 176.000 0.065 0.000 1.018 157 Q CA -0.262 55.514 55.803 -0.045 0.000 1.064 157 Q CB 0.753 29.366 28.738 -0.209 0.000 1.130 157 Q HN 0.750 nan 8.270 nan 0.000 0.553 158 A N 1.023 123.889 122.820 0.076 0.000 2.347 158 A HA 0.092 4.422 4.320 0.017 0.000 0.287 158 A C 0.443 178.236 177.584 0.347 0.000 1.199 158 A CA -0.147 51.998 52.037 0.180 0.000 0.851 158 A CB 0.276 19.369 19.000 0.155 0.000 1.118 158 A HN 0.756 nan 8.150 nan 0.000 0.525 159 E N 1.755 122.164 120.200 0.348 0.000 2.250 159 E HA -0.016 4.344 4.350 0.017 0.000 0.192 159 E C 0.285 177.105 176.600 0.368 0.000 0.986 159 E CA 0.649 57.281 56.400 0.386 0.000 0.849 159 E CB 0.142 29.985 29.700 0.238 0.000 0.797 159 E HN 0.608 nan 8.360 nan 0.000 0.482 160 C N 1.141 120.634 119.300 0.321 0.000 2.411 160 C HA 0.762 5.232 4.460 0.017 0.000 0.330 160 C C -1.051 174.193 174.990 0.423 0.000 1.224 160 C CA -0.562 58.637 59.018 0.302 0.000 1.770 160 C CB -0.655 27.239 27.740 0.257 0.000 2.297 160 C HN 0.435 nan 8.230 nan 0.000 0.507 161 Y N 3.575 124.034 120.300 0.266 0.000 2.655 161 Y HA 0.837 5.398 4.550 0.018 0.000 0.336 161 Y C -0.992 175.089 175.900 0.301 0.000 1.154 161 Y CA -1.259 56.980 58.100 0.232 0.000 1.055 161 Y CB 0.820 39.301 38.460 0.035 0.000 1.295 161 Y HN 0.812 nan 8.280 nan 0.000 0.465 162 Y N -1.203 119.212 120.300 0.192 0.000 2.744 162 Y HA 0.798 5.359 4.550 0.017 0.000 0.330 162 Y C -2.424 173.444 175.900 -0.054 0.000 1.263 162 Y CA -2.527 55.659 58.100 0.144 0.000 1.065 162 Y CB 1.428 39.936 38.460 0.080 0.000 1.306 162 Y HN 0.488 nan 8.280 nan 0.000 0.459 163 F N 1.983 122.023 119.950 0.151 0.000 2.375 163 F HA 0.756 5.293 4.527 0.017 0.000 0.361 163 F C 0.461 176.247 175.800 -0.022 0.000 1.117 163 F CA -0.776 57.200 58.000 -0.040 0.000 1.037 163 F CB 1.497 40.538 39.000 0.069 0.000 1.192 163 F HN 0.806 nan 8.300 nan 0.000 0.452 164 A N 3.074 125.822 122.820 -0.120 0.000 2.445 164 A HA 0.204 4.534 4.320 0.017 0.000 0.242 164 A C 0.971 178.647 177.584 0.153 0.000 1.075 164 A CA 0.040 52.136 52.037 0.098 0.000 0.777 164 A CB -0.169 18.832 19.000 0.001 0.000 1.013 164 A HN 1.042 nan 8.150 nan 0.000 0.493 165 N N -0.065 118.740 118.700 0.175 0.000 2.758 165 N HA -0.216 4.534 4.740 0.017 0.000 0.248 165 N C 0.926 176.519 175.510 0.138 0.000 1.076 165 N CA 0.379 53.505 53.050 0.127 0.000 0.696 165 N CB -0.867 37.668 38.487 0.080 0.000 0.979 165 N HN 1.026 nan 8.380 nan 0.000 0.550 166 A N 0.054 122.989 122.820 0.192 0.000 2.076 166 A HA -0.169 4.162 4.320 0.017 0.000 0.220 166 A C 2.096 179.804 177.584 0.206 0.000 1.160 166 A CA 1.871 54.029 52.037 0.202 0.000 0.653 166 A CB -0.543 18.605 19.000 0.246 0.000 0.801 166 A HN 0.852 nan 8.150 nan 0.000 0.455 167 S N -0.378 115.423 115.700 0.168 0.000 2.507 167 S HA -0.050 4.430 4.470 0.017 0.000 0.235 167 S C 0.414 175.095 174.600 0.136 0.000 0.988 167 S CA 0.769 59.085 58.200 0.193 0.000 0.944 167 S CB -0.210 63.038 63.200 0.080 0.000 0.762 167 S HN 0.643 nan 8.310 nan 0.000 0.526 168 E N 1.487 121.720 120.200 0.054 0.000 2.683 168 E HA 0.253 4.613 4.350 0.017 0.000 0.224 168 E C -2.383 174.177 176.600 -0.067 0.000 1.046 168 E CA -2.228 54.145 56.400 -0.046 0.000 0.811 168 E CB 1.523 31.198 29.700 -0.042 0.000 1.296 168 E HN 0.199 nan 8.360 nan 0.000 0.421 169 P HA -0.214 nan 4.420 nan 0.000 0.217 169 P C 0.738 177.940 177.300 -0.164 0.000 1.148 169 P CA 1.164 64.154 63.100 -0.184 0.000 0.828 169 P CB 0.317 31.837 31.700 -0.299 0.000 0.783 170 E N -1.270 118.842 120.200 -0.147 0.000 2.476 170 E HA 0.064 4.424 4.350 0.017 0.000 0.191 170 E C 1.294 177.845 176.600 -0.080 0.000 1.064 170 E CA 0.372 56.702 56.400 -0.117 0.000 0.866 170 E CB 0.103 29.733 29.700 -0.117 0.000 0.952 170 E HN 0.404 nan 8.360 nan 0.000 0.492 171 R N -0.283 120.180 120.500 -0.063 0.000 2.582 171 R HA 0.125 4.476 4.340 0.017 0.000 0.285 171 R C 0.905 177.205 176.300 -0.000 0.000 0.940 171 R CA 0.092 56.173 56.100 -0.032 0.000 1.072 171 R CB 0.137 30.419 30.300 -0.031 0.000 1.527 171 R HN 0.117 nan 8.270 nan 0.000 0.538 172 C N 1.775 121.083 119.300 0.013 0.000 2.702 172 C HA 0.251 4.721 4.460 0.017 0.000 0.411 172 C C 0.176 175.240 174.990 0.124 0.000 1.286 172 C CA -0.571 58.497 59.018 0.083 0.000 1.979 172 C CB 0.352 28.163 27.740 0.117 0.000 2.728 172 C HN 0.230 nan 8.230 nan 0.000 0.652 173 Q N 1.280 121.149 119.800 0.115 0.000 2.353 173 Q HA 0.385 4.735 4.340 0.017 0.000 0.268 173 Q C -0.643 175.320 176.000 -0.061 0.000 1.045 173 Q CA -0.443 55.389 55.803 0.049 0.000 0.811 173 Q CB 2.024 30.750 28.738 -0.020 0.000 1.305 173 Q HN 0.878 nan 8.270 nan 0.000 0.447 174 K N 3.079 123.384 120.400 -0.159 0.000 2.383 174 K HA 0.219 4.550 4.320 0.017 0.000 0.286 174 K C -0.679 175.695 176.600 -0.377 0.000 1.051 174 K CA 0.177 56.159 56.287 -0.508 0.000 0.974 174 K CB 0.410 32.597 32.500 -0.522 0.000 0.968 174 K HN 0.419 nan 8.250 nan 0.000 0.475 175 M N 5.785 125.110 119.600 -0.458 0.000 2.518 175 M HA 0.380 4.871 4.480 0.017 0.000 0.300 175 M C -2.458 173.813 176.300 -0.048 0.000 1.175 175 M CA -2.789 52.337 55.300 -0.290 0.000 0.890 175 M CB 1.588 33.953 32.600 -0.391 0.000 1.710 175 M HN 0.503 nan 8.290 nan 0.000 0.453 176 P HA 0.290 nan 4.420 nan 0.000 0.272 176 P C -1.296 176.258 177.300 0.423 0.000 1.223 176 P CA -0.019 63.223 63.100 0.236 0.000 0.784 176 P CB 0.772 32.547 31.700 0.125 0.000 0.923 177 F N 1.561 121.661 119.950 0.250 0.000 2.561 177 F HA 0.350 4.888 4.527 0.017 0.000 0.313 177 F C -0.372 175.483 175.800 0.091 0.000 1.126 177 F CA -0.979 57.133 58.000 0.187 0.000 0.918 177 F CB 1.699 40.806 39.000 0.179 0.000 1.199 177 F HN 0.165 nan 8.300 nan 0.000 0.444 178 N N 5.532 123.872 118.700 -0.599 0.000 2.408 178 N HA 0.171 4.921 4.740 0.017 0.000 0.257 178 N C -0.864 174.449 175.510 -0.329 0.000 1.064 178 N CA -0.006 52.828 53.050 -0.360 0.000 0.952 178 N CB 1.242 39.535 38.487 -0.324 0.000 1.093 178 N HN 0.794 nan 8.380 nan 0.000 0.490 179 L N 4.517 125.719 121.223 -0.035 0.000 3.141 179 L HA 0.207 4.557 4.340 0.017 0.000 0.263 179 L C 1.206 178.048 176.870 -0.047 0.000 1.312 179 L CA -0.137 54.724 54.840 0.035 0.000 1.012 179 L CB -0.132 41.992 42.059 0.110 0.000 1.408 179 L HN 0.568 nan 8.230 nan 0.000 0.559 180 D N 0.609 120.967 120.400 -0.070 0.000 2.242 180 D HA -0.242 4.409 4.640 0.017 0.000 0.193 180 D C 0.344 176.600 176.300 -0.073 0.000 1.005 180 D CA 2.270 56.231 54.000 -0.065 0.000 0.856 180 D CB 0.092 40.856 40.800 -0.060 0.000 1.001 180 D HN 0.534 nan 8.370 nan 0.000 0.452 181 D N -0.710 119.655 120.400 -0.057 0.000 2.485 181 D HA 0.124 4.774 4.640 0.017 0.000 0.229 181 D C -1.807 174.432 176.300 -0.101 0.000 1.101 181 D CA -1.644 52.327 54.000 -0.050 0.000 0.906 181 D CB 1.163 41.985 40.800 0.036 0.000 1.019 181 D HN 0.244 nan 8.370 nan 0.000 0.516 182 P HA -0.158 nan 4.420 nan 0.000 0.222 182 P C -0.035 177.133 177.300 -0.220 0.000 1.147 182 P CA 0.436 63.369 63.100 -0.278 0.000 0.790 182 P CB -0.067 31.382 31.700 -0.419 0.000 0.780 183 Y N 2.561 122.853 120.300 -0.013 0.000 2.377 183 Y HA 0.240 4.800 4.550 0.017 0.000 0.330 183 Y C -1.138 174.768 175.900 0.009 0.000 1.108 183 Y CA -2.674 55.422 58.100 -0.006 0.000 1.308 183 Y CB -0.545 37.922 38.460 0.013 0.000 1.216 183 Y HN 0.054 nan 8.280 nan 0.000 0.518 184 P HA 0.326 nan 4.420 nan 0.000 0.279 184 P C -1.415 175.900 177.300 0.025 0.000 1.252 184 P CA -0.440 62.742 63.100 0.136 0.000 0.811 184 P CB 2.005 33.773 31.700 0.113 0.000 1.035 185 L N 1.555 122.755 121.223 -0.037 0.000 2.422 185 L HA 0.521 4.871 4.340 0.017 0.000 0.264 185 L C -1.535 175.244 176.870 -0.152 0.000 0.984 185 L CA -0.944 53.832 54.840 -0.107 0.000 0.819 185 L CB 2.007 43.981 42.059 -0.141 0.000 1.330 185 L HN 0.166 nan 8.230 nan 0.000 0.410 186 L N 4.980 126.098 121.223 -0.175 0.000 2.280 186 L HA 0.646 4.996 4.340 0.017 0.000 0.287 186 L C -1.076 175.639 176.870 -0.258 0.000 1.023 186 L CA -0.203 54.517 54.840 -0.200 0.000 0.819 186 L CB 1.649 43.592 42.059 -0.194 0.000 1.212 186 L HN 0.416 nan 8.230 nan 0.000 0.420 187 V N 6.059 125.831 119.914 -0.237 0.000 2.347 187 V HA 0.366 4.497 4.120 0.017 0.000 0.280 187 V C -0.295 175.645 176.094 -0.258 0.000 1.021 187 V CA -0.681 61.466 62.300 -0.256 0.000 0.847 187 V CB 1.682 33.380 31.823 -0.207 0.000 0.990 187 V HN 0.427 nan 8.190 nan 0.000 0.444 188 V N 4.863 124.554 119.914 -0.372 0.000 2.318 188 V HA 0.303 4.434 4.120 0.017 0.000 0.271 188 V C 0.194 176.211 176.094 -0.129 0.000 1.030 188 V CA -0.530 61.576 62.300 -0.324 0.000 0.844 188 V CB 1.138 32.566 31.823 -0.658 0.000 1.015 188 V HN 0.874 nan 8.190 nan 0.000 0.460 189 N N 5.331 123.998 118.700 -0.056 0.000 2.462 189 N HA 0.408 5.159 4.740 0.017 0.000 0.242 189 N C -0.664 174.870 175.510 0.041 0.000 1.010 189 N CA -0.271 52.788 53.050 0.016 0.000 0.939 189 N CB 0.634 39.122 38.487 0.001 0.000 1.127 189 N HN 0.615 nan 8.380 nan 0.000 0.509 190 I N 2.955 123.587 120.570 0.104 0.000 2.307 190 I HA 0.411 4.592 4.170 0.017 0.000 0.287 190 I C 1.106 177.271 176.117 0.080 0.000 1.054 190 I CA -0.509 60.836 61.300 0.076 0.000 1.218 190 I CB 1.094 39.172 38.000 0.130 0.000 1.398 190 I HN 0.541 nan 8.210 nan 0.000 0.475 191 G N 2.791 111.600 108.800 0.015 0.000 3.341 191 G HA2 0.153 4.123 3.960 0.017 0.000 0.177 191 G HA3 0.153 4.123 3.960 0.017 0.000 0.177 191 G C 1.006 175.884 174.900 -0.035 0.000 1.236 191 G CA 0.439 45.543 45.100 0.006 0.000 0.888 191 G HN 0.483 nan 8.290 nan 0.000 0.644 192 S N -0.851 114.829 115.700 -0.034 0.000 2.382 192 S HA 0.242 4.722 4.470 0.017 0.000 0.228 192 S C 1.235 175.809 174.600 -0.043 0.000 1.027 192 S CA 1.249 59.428 58.200 -0.036 0.000 0.991 192 S CB -0.454 62.733 63.200 -0.021 0.000 0.823 192 S HN 1.039 nan 8.310 nan 0.000 0.469 193 G N -0.247 108.531 108.800 -0.037 0.000 3.140 193 G HA2 0.621 4.591 3.960 0.017 0.000 0.271 193 G HA3 0.621 4.591 3.960 0.017 0.000 0.271 193 G C -1.623 173.253 174.900 -0.040 0.000 1.370 193 G CA -0.649 44.428 45.100 -0.039 0.000 1.014 193 G HN 0.304 nan 8.290 nan 0.000 0.541 194 V N 0.261 120.154 119.914 -0.035 0.000 2.487 194 V HA 0.619 4.749 4.120 0.017 0.000 0.298 194 V C -0.197 175.882 176.094 -0.024 0.000 1.028 194 V CA -0.677 61.605 62.300 -0.029 0.000 0.860 194 V CB 1.424 33.229 31.823 -0.031 0.000 0.991 194 V HN 0.619 nan 8.190 nan 0.000 0.427 195 S N 5.008 120.694 115.700 -0.023 0.000 2.472 195 S HA 0.734 5.214 4.470 0.017 0.000 0.303 195 S C -0.515 174.057 174.600 -0.047 0.000 1.099 195 S CA -0.427 57.758 58.200 -0.025 0.000 1.077 195 S CB 1.164 64.356 63.200 -0.012 0.000 1.031 195 S HN 0.559 nan 8.310 nan 0.000 0.487 196 I N 4.138 124.676 120.570 -0.052 0.000 2.389 196 I HA 0.416 4.597 4.170 0.017 0.000 0.288 196 I C -1.001 175.078 176.117 -0.063 0.000 0.999 196 I CA -0.538 60.712 61.300 -0.083 0.000 1.129 196 I CB 1.285 39.230 38.000 -0.091 0.000 1.288 196 I HN 0.308 nan 8.210 nan 0.000 0.444 197 L N 5.785 126.960 121.223 -0.080 0.000 2.329 197 L HA 0.738 5.088 4.340 0.017 0.000 0.279 197 L C 0.090 176.910 176.870 -0.083 0.000 1.014 197 L CA -0.780 54.033 54.840 -0.045 0.000 0.814 197 L CB 1.895 43.935 42.059 -0.032 0.000 1.257 197 L HN 0.606 nan 8.230 nan 0.000 0.424 198 A N 3.339 126.118 122.820 -0.068 0.000 2.249 198 A HA 0.643 4.973 4.320 0.017 0.000 0.314 198 A C -0.427 177.028 177.584 -0.214 0.000 1.290 198 A CA -0.425 51.505 52.037 -0.179 0.000 0.893 198 A CB 0.754 19.652 19.000 -0.170 0.000 1.165 198 A HN 0.434 nan 8.150 nan 0.000 0.530 199 V N 4.972 124.757 119.914 -0.215 0.000 2.311 199 V HA 0.214 4.344 4.120 0.017 0.000 0.275 199 V C 0.631 176.671 176.094 -0.090 0.000 1.022 199 V CA -0.363 61.900 62.300 -0.061 0.000 0.830 199 V CB 0.393 32.216 31.823 0.001 0.000 1.012 199 V HN 1.011 nan 8.190 nan 0.000 0.452 200 H N 2.442 121.590 119.070 0.128 0.000 2.486 200 H HA 0.197 4.763 4.556 0.017 0.000 0.287 200 H C 1.068 176.307 175.328 -0.147 0.000 1.010 200 H CA 0.998 57.069 56.048 0.039 0.000 1.324 200 H CB 1.029 30.788 29.762 -0.005 0.000 1.446 200 H HN 0.702 nan 8.280 nan 0.000 0.537 201 S N -1.147 114.480 115.700 -0.120 0.000 2.636 201 S HA 0.201 4.681 4.470 0.017 0.000 0.268 201 S C 0.657 175.126 174.600 -0.218 0.000 1.159 201 S CA -0.858 56.954 58.200 -0.646 0.000 0.815 201 S CB 2.701 65.661 63.200 -0.400 0.000 1.130 201 S HN 0.027 nan 8.310 nan 0.000 0.471 202 K N 0.000 120.262 120.400 -0.229 0.000 2.144 202 K HA -0.170 4.161 4.320 0.017 0.000 0.209 202 K C 0.203 176.890 176.600 0.145 0.000 1.047 202 K CA 2.317 58.660 56.287 0.094 0.000 0.927 202 K CB -0.234 32.310 32.500 0.073 0.000 0.716 202 K HN 0.614 nan 8.250 nan 0.000 0.454 203 D N -0.902 119.551 120.400 0.088 0.000 2.469 203 D HA 0.010 4.661 4.640 0.017 0.000 0.215 203 D C -0.611 175.717 176.300 0.047 0.000 1.154 203 D CA 0.044 54.110 54.000 0.111 0.000 0.832 203 D CB 0.301 41.122 40.800 0.035 0.000 1.008 203 D HN 0.082 nan 8.370 nan 0.000 0.506 204 N N 1.344 120.098 118.700 0.089 0.000 2.569 204 N HA 0.220 4.970 4.740 0.017 0.000 0.254 204 N C -1.546 174.072 175.510 0.180 0.000 1.004 204 N CA -0.481 52.592 53.050 0.040 0.000 0.904 204 N CB 0.375 38.884 38.487 0.037 0.000 1.165 204 N HN -0.041 nan 8.380 nan 0.000 0.513 205 Y N 0.349 120.682 120.300 0.055 0.000 2.641 205 Y HA 0.605 5.165 4.550 0.017 0.000 0.333 205 Y C -1.535 174.378 175.900 0.022 0.000 1.174 205 Y CA -1.244 56.871 58.100 0.025 0.000 1.057 205 Y CB 0.874 39.328 38.460 -0.011 0.000 1.322 205 Y HN 0.437 nan 8.280 nan 0.000 0.457 206 K N 0.681 121.173 120.400 0.153 0.000 2.579 206 K HA 0.529 4.859 4.320 0.017 0.000 0.284 206 K C -1.803 174.852 176.600 0.092 0.000 0.990 206 K CA -1.225 55.106 56.287 0.072 0.000 0.880 206 K CB 2.296 34.801 32.500 0.009 0.000 1.488 206 K HN 0.866 nan 8.250 nan 0.000 0.425 207 R N 2.028 122.566 120.500 0.063 0.000 2.248 207 R HA 0.098 4.449 4.340 0.017 0.000 0.337 207 R C 0.897 177.206 176.300 0.014 0.000 1.106 207 R CA -0.209 55.913 56.100 0.036 0.000 0.959 207 R CB 0.448 30.768 30.300 0.032 0.000 1.075 207 R HN 0.654 nan 8.270 nan 0.000 0.480 208 V N 0.655 120.571 119.914 0.003 0.000 2.548 208 V HA 0.078 4.209 4.120 0.017 0.000 0.249 208 V C 0.897 176.984 176.094 -0.012 0.000 1.055 208 V CA 1.468 63.766 62.300 -0.003 0.000 1.065 208 V CB -0.195 31.623 31.823 -0.009 0.000 0.681 208 V HN 0.761 nan 8.190 nan 0.000 0.462 209 T N -2.592 111.950 114.554 -0.020 0.000 2.674 209 T HA 0.600 4.961 4.350 0.017 0.000 0.298 209 T C -0.547 174.136 174.700 -0.028 0.000 1.775 209 T CA 0.229 62.315 62.100 -0.023 0.000 0.960 209 T CB 0.886 69.736 68.868 -0.029 0.000 1.976 209 T HN 1.218 nan 8.240 nan 0.000 0.459 210 G N -0.221 108.562 108.800 -0.029 0.000 2.428 210 G HA2 0.562 4.533 3.960 0.017 0.000 0.304 210 G HA3 0.562 4.533 3.960 0.017 0.000 0.304 210 G C -1.273 173.610 174.900 -0.029 0.000 1.303 210 G CA 0.516 45.598 45.100 -0.030 0.000 0.825 210 G HN 0.894 nan 8.290 nan 0.000 0.484 211 T N -1.627 112.910 114.554 -0.027 0.000 2.956 211 T HA 0.533 4.893 4.350 0.017 0.000 0.312 211 T C 1.109 175.795 174.700 -0.023 0.000 1.151 211 T CA 0.653 62.737 62.100 -0.025 0.000 1.024 211 T CB 1.428 70.280 68.868 -0.027 0.000 1.140 211 T HN 1.508 nan 8.240 nan 0.000 0.473 212 S N 3.213 118.902 115.700 -0.018 0.000 2.593 212 S HA 0.197 4.678 4.470 0.017 0.000 0.217 212 S C 0.458 175.048 174.600 -0.017 0.000 0.966 212 S CA -0.093 58.097 58.200 -0.016 0.000 0.914 212 S CB -0.464 62.730 63.200 -0.010 0.000 0.776 212 S HN 0.488 nan 8.310 nan 0.000 0.523 213 L N 2.698 123.911 121.223 -0.017 0.000 2.352 213 L HA 0.664 5.014 4.340 0.017 0.000 0.272 213 L C 0.834 177.673 176.870 -0.052 0.000 1.109 213 L CA 0.108 54.941 54.840 -0.012 0.000 0.952 213 L CB 0.432 42.497 42.059 0.010 0.000 1.314 213 L HN 0.343 nan 8.230 nan 0.000 0.427 214 G N 0.089 108.843 108.800 -0.077 0.000 3.211 214 G HA2 0.463 4.433 3.960 0.017 0.000 0.167 214 G HA3 0.463 4.433 3.960 0.017 0.000 0.167 214 G C 0.860 175.621 174.900 -0.232 0.000 1.212 214 G CA 0.025 45.013 45.100 -0.187 0.000 0.928 214 G HN 0.381 nan 8.290 nan 0.000 0.607 215 G N -0.279 108.337 108.800 -0.307 0.000 2.448 215 G HA2 0.146 4.116 3.960 0.017 0.000 0.219 215 G HA3 0.146 4.116 3.960 0.017 0.000 0.219 215 G C 1.598 176.555 174.900 0.095 0.000 1.127 215 G CA 1.629 46.669 45.100 -0.100 0.000 0.766 215 G HN 0.943 nan 8.290 nan 0.000 0.552 216 G N 0.175 108.984 108.800 0.015 0.000 2.421 216 G HA2 -0.067 3.903 3.960 0.017 0.000 0.217 216 G HA3 -0.067 3.903 3.960 0.017 0.000 0.217 216 G C 1.783 176.714 174.900 0.051 0.000 1.143 216 G CA 1.582 46.699 45.100 0.028 0.000 0.784 216 G HN 0.376 nan 8.290 nan 0.000 0.541 217 T N 0.862 115.452 114.554 0.059 0.000 2.812 217 T HA -0.066 4.294 4.350 0.017 0.000 0.264 217 T C 1.907 176.687 174.700 0.134 0.000 1.042 217 T CA 0.900 63.042 62.100 0.069 0.000 1.140 217 T CB -0.253 68.650 68.868 0.058 0.000 0.870 217 T HN 0.235 nan 8.240 nan 0.000 0.445 218 F N 2.291 122.287 119.950 0.078 0.000 2.046 218 F HA -0.054 4.483 4.527 0.017 0.000 0.297 218 F C 1.981 177.894 175.800 0.189 0.000 1.123 218 F CA 0.895 58.998 58.000 0.173 0.000 1.199 218 F CB -0.816 38.367 39.000 0.304 0.000 0.972 218 F HN 0.048 nan 8.300 nan 0.000 0.474 219 L N 0.913 122.099 121.223 -0.062 0.000 2.056 219 L HA 0.093 4.444 4.340 0.017 0.000 0.207 219 L C 2.472 179.271 176.870 -0.119 0.000 1.078 219 L CA 2.205 56.948 54.840 -0.161 0.000 0.749 219 L CB -1.643 40.468 42.059 0.088 0.000 0.901 219 L HN 0.255 nan 8.230 nan 0.000 0.433 220 G N -0.283 108.492 108.800 -0.041 0.000 2.446 220 G HA2 -0.263 3.708 3.960 0.017 0.000 0.217 220 G HA3 -0.263 3.708 3.960 0.017 0.000 0.217 220 G C 1.632 176.500 174.900 -0.054 0.000 1.168 220 G CA 1.207 46.286 45.100 -0.034 0.000 0.771 220 G HN 0.432 nan 8.290 nan 0.000 0.551 221 L N -0.265 120.924 121.223 -0.057 0.000 2.109 221 L HA -0.051 4.299 4.340 0.017 0.000 0.207 221 L C 3.039 179.863 176.870 -0.076 0.000 1.086 221 L CA 0.417 55.221 54.840 -0.060 0.000 0.760 221 L CB -0.328 41.712 42.059 -0.030 0.000 0.910 221 L HN 0.275 nan 8.230 nan 0.000 0.437 222 C N -0.903 118.306 119.300 -0.153 0.000 2.432 222 C HA -0.154 4.316 4.460 0.017 0.000 0.277 222 C C 3.114 178.043 174.990 -0.101 0.000 1.249 222 C CA 1.220 60.138 59.018 -0.168 0.000 1.725 222 C CB -0.586 26.921 27.740 -0.387 0.000 2.028 222 C HN 0.503 nan 8.230 nan 0.000 0.477 223 S N 0.989 116.631 115.700 -0.096 0.000 2.370 223 S HA -0.133 4.348 4.470 0.017 0.000 0.226 223 S C 1.637 176.215 174.600 -0.037 0.000 1.033 223 S CA 1.401 59.569 58.200 -0.054 0.000 1.011 223 S CB -0.363 62.813 63.200 -0.040 0.000 0.852 223 S HN 0.572 nan 8.310 nan 0.000 0.457 224 L N 0.352 121.550 121.223 -0.041 0.000 2.179 224 L HA 0.075 4.426 4.340 0.017 0.000 0.208 224 L C 1.954 178.808 176.870 -0.026 0.000 1.096 224 L CA 0.796 55.617 54.840 -0.033 0.000 0.779 224 L CB -0.306 41.729 42.059 -0.040 0.000 0.922 224 L HN 0.266 nan 8.230 nan 0.000 0.443 225 L N -1.127 120.081 121.223 -0.024 0.000 2.416 225 L HA 0.001 4.351 4.340 0.017 0.000 0.216 225 L C 2.214 179.090 176.870 0.010 0.000 1.098 225 L CA 1.211 56.050 54.840 -0.001 0.000 0.840 225 L CB -0.224 41.848 42.059 0.022 0.000 0.981 225 L HN 0.370 nan 8.230 nan 0.000 0.462 226 T N -5.853 108.700 114.554 -0.002 0.000 2.958 226 T HA 0.278 4.638 4.350 0.017 0.000 0.256 226 T C 1.412 176.108 174.700 -0.006 0.000 0.983 226 T CA 0.561 62.662 62.100 0.001 0.000 0.924 226 T CB 1.053 69.921 68.868 0.000 0.000 1.136 226 T HN 0.271 nan 8.240 nan 0.000 0.506 227 G N 1.632 110.424 108.800 -0.013 0.000 2.176 227 G HA2 -0.304 3.666 3.960 0.017 0.000 0.253 227 G HA3 -0.304 3.666 3.960 0.017 0.000 0.253 227 G C 0.585 175.478 174.900 -0.012 0.000 0.979 227 G CA 0.092 45.185 45.100 -0.011 0.000 0.641 227 G HN 1.459 nan 8.290 nan 0.000 0.530 228 C N -0.506 118.783 119.300 -0.019 0.000 2.746 228 C HA 0.540 5.010 4.460 0.017 0.000 0.403 228 C C 1.372 176.357 174.990 -0.009 0.000 1.270 228 C CA 0.637 59.644 59.018 -0.017 0.000 1.978 228 C CB 0.464 28.184 27.740 -0.034 0.000 2.724 228 C HN 0.541 nan 8.230 nan 0.000 0.678 229 E N 0.467 120.669 120.200 0.003 0.000 2.562 229 E HA 0.195 4.555 4.350 0.017 0.000 0.214 229 E C 0.420 177.039 176.600 0.032 0.000 0.979 229 E CA 0.349 56.757 56.400 0.014 0.000 1.002 229 E CB 0.478 30.186 29.700 0.014 0.000 1.048 229 E HN 0.936 nan 8.360 nan 0.000 0.488 230 S N -1.323 114.403 115.700 0.043 0.000 2.587 230 S HA 0.197 4.678 4.470 0.017 0.000 0.269 230 S C 0.002 174.690 174.600 0.145 0.000 1.154 230 S CA -0.856 57.399 58.200 0.091 0.000 0.824 230 S CB 0.570 63.818 63.200 0.080 0.000 1.118 230 S HN 0.009 nan 8.310 nan 0.000 0.462 231 F N 1.896 121.874 119.950 0.047 0.000 2.171 231 F HA 0.074 4.611 4.527 0.017 0.000 0.300 231 F C 1.968 177.832 175.800 0.107 0.000 1.090 231 F CA 2.072 60.135 58.000 0.105 0.000 1.293 231 F CB -0.682 38.394 39.000 0.127 0.000 1.013 231 F HN 0.758 nan 8.300 nan 0.000 0.486 232 E N 0.298 120.491 120.200 -0.012 0.000 2.077 232 E HA -0.225 4.136 4.350 0.017 0.000 0.193 232 E C 2.195 178.733 176.600 -0.105 0.000 0.989 232 E CA 1.595 57.918 56.400 -0.127 0.000 0.800 232 E CB -0.463 29.219 29.700 -0.030 0.000 0.746 232 E HN 0.625 nan 8.360 nan 0.000 0.452 233 E N -0.049 120.128 120.200 -0.038 0.000 2.072 233 E HA -0.133 4.228 4.350 0.017 0.000 0.190 233 E C 1.950 178.535 176.600 -0.025 0.000 0.982 233 E CA 0.882 57.265 56.400 -0.027 0.000 0.803 233 E CB -0.078 29.618 29.700 -0.008 0.000 0.755 233 E HN 0.239 nan 8.360 nan 0.000 0.453 234 A N 1.143 123.951 122.820 -0.021 0.000 1.877 234 A HA -0.156 4.175 4.320 0.017 0.000 0.216 234 A C 2.193 179.862 177.584 0.141 0.000 1.186 234 A CA 1.111 53.144 52.037 -0.007 0.000 0.620 234 A CB -0.684 18.215 19.000 -0.169 0.000 0.822 234 A HN 0.317 nan 8.150 nan 0.000 0.443 235 L N -0.965 120.295 121.223 0.061 0.000 2.083 235 L HA -0.177 4.173 4.340 0.017 0.000 0.209 235 L C 2.669 179.509 176.870 -0.051 0.000 1.083 235 L CA 1.617 56.441 54.840 -0.027 0.000 0.752 235 L CB -0.407 41.444 42.059 -0.347 0.000 0.899 235 L HN 0.444 nan 8.230 nan 0.000 0.433 236 E N 0.460 120.622 120.200 -0.063 0.000 2.077 236 E HA -0.217 4.143 4.350 0.017 0.000 0.193 236 E C 2.235 178.821 176.600 -0.024 0.000 0.989 236 E CA 1.534 57.903 56.400 -0.053 0.000 0.800 236 E CB -0.112 29.558 29.700 -0.050 0.000 0.746 236 E HN 0.296 nan 8.360 nan 0.000 0.452 237 M N -0.396 119.204 119.600 0.001 0.000 2.086 237 M HA -0.148 4.342 4.480 0.017 0.000 0.261 237 M C 2.295 178.611 176.300 0.026 0.000 1.067 237 M CA 1.696 57.004 55.300 0.014 0.000 1.116 237 M CB -0.346 32.268 32.600 0.024 0.000 1.348 237 M HN 0.232 nan 8.290 nan 0.000 0.407 238 A N 0.369 123.228 122.820 0.065 0.000 1.940 238 A HA -0.193 4.137 4.320 0.017 0.000 0.219 238 A C 2.228 179.807 177.584 -0.007 0.000 1.176 238 A CA 2.241 54.318 52.037 0.067 0.000 0.631 238 A CB -1.016 18.070 19.000 0.142 0.000 0.814 238 A HN 0.626 nan 8.150 nan 0.000 0.446 239 S N -0.385 115.293 115.700 -0.035 0.000 2.447 239 S HA -0.104 4.377 4.470 0.017 0.000 0.233 239 S C 1.505 176.072 174.600 -0.055 0.000 1.006 239 S CA 1.449 59.610 58.200 -0.066 0.000 0.957 239 S CB -0.248 62.905 63.200 -0.079 0.000 0.773 239 S HN 0.645 nan 8.310 nan 0.000 0.507 240 K N 0.957 121.335 120.400 -0.036 0.000 2.358 240 K HA 0.287 4.618 4.320 0.017 0.000 0.197 240 K C 1.014 177.598 176.600 -0.027 0.000 1.025 240 K CA 0.209 56.476 56.287 -0.033 0.000 1.104 240 K CB 0.507 32.992 32.500 -0.025 0.000 0.855 240 K HN 0.432 nan 8.250 nan 0.000 0.531 241 G N 0.812 109.599 108.800 -0.022 0.000 2.488 241 G HA2 0.157 4.127 3.960 0.017 0.000 0.318 241 G HA3 0.157 4.127 3.960 0.017 0.000 0.318 241 G C -1.405 173.474 174.900 -0.035 0.000 1.188 241 G CA -0.274 44.815 45.100 -0.019 0.000 0.944 241 G HN 0.011 nan 8.290 nan 0.000 0.495 242 D N -1.376 119.003 120.400 -0.035 0.000 2.462 242 D HA 0.297 4.948 4.640 0.017 0.000 0.245 242 D C 1.486 177.754 176.300 -0.053 0.000 1.122 242 D CA -0.178 53.794 54.000 -0.047 0.000 0.864 242 D CB 1.426 42.202 40.800 -0.039 0.000 1.098 242 D HN 0.202 nan 8.370 nan 0.000 0.541 243 S N 1.717 117.374 115.700 -0.071 0.000 2.399 243 S HA -0.213 4.267 4.470 0.017 0.000 0.231 243 S C 1.841 176.382 174.600 -0.099 0.000 1.022 243 S CA 1.476 59.615 58.200 -0.102 0.000 0.983 243 S CB -0.870 62.266 63.200 -0.107 0.000 0.803 243 S HN 0.562 nan 8.310 nan 0.000 0.480 244 T N -1.028 113.490 114.554 -0.061 0.000 3.139 244 T HA 0.017 4.377 4.350 0.017 0.000 0.267 244 T C 1.614 176.298 174.700 -0.028 0.000 1.164 244 T CA 0.633 62.711 62.100 -0.036 0.000 1.075 244 T CB -0.384 68.476 68.868 -0.012 0.000 0.904 244 T HN 0.301 nan 8.240 nan 0.000 0.540 245 Q N 0.234 120.013 119.800 -0.035 0.000 2.354 245 Q HA 0.359 4.709 4.340 0.017 0.000 0.203 245 Q C 2.334 178.329 176.000 -0.008 0.000 0.933 245 Q CA 1.245 57.039 55.803 -0.015 0.000 0.901 245 Q CB -0.117 28.614 28.738 -0.011 0.000 1.007 245 Q HN 0.758 nan 8.270 nan 0.000 0.495 246 A N 0.145 122.932 122.820 -0.055 0.000 2.085 246 A HA 0.066 4.396 4.320 0.017 0.000 0.208 246 A C 0.327 177.867 177.584 -0.074 0.000 1.191 246 A CA 0.016 52.018 52.037 -0.059 0.000 0.799 246 A CB 0.349 19.251 19.000 -0.164 0.000 0.877 246 A HN 0.083 nan 8.150 nan 0.000 0.473 247 D N 0.500 120.832 120.400 -0.115 0.000 2.264 247 D HA 0.322 4.972 4.640 0.017 0.000 0.249 247 D C -0.248 176.056 176.300 0.007 0.000 1.070 247 D CA 0.030 53.989 54.000 -0.069 0.000 0.912 247 D CB 1.060 41.805 40.800 -0.091 0.000 1.193 247 D HN 0.231 nan 8.370 nan 0.000 0.427 248 K N 2.248 122.671 120.400 0.039 0.000 2.253 248 K HA 0.279 4.609 4.320 0.017 0.000 0.277 248 K C -0.896 175.729 176.600 0.042 0.000 1.053 248 K CA -0.615 55.704 56.287 0.054 0.000 0.892 248 K CB 0.434 32.980 32.500 0.076 0.000 1.102 248 K HN 0.147 nan 8.250 nan 0.000 0.469 249 L N 4.169 125.415 121.223 0.038 0.000 2.399 249 L HA 0.150 4.500 4.340 0.017 0.000 0.265 249 L C 1.512 178.412 176.870 0.049 0.000 1.089 249 L CA 0.064 54.930 54.840 0.044 0.000 0.802 249 L CB 1.365 43.458 42.059 0.056 0.000 1.180 249 L HN 0.521 nan 8.230 nan 0.000 0.454 250 V N 1.728 121.679 119.914 0.061 0.000 2.324 250 V HA -0.304 3.826 4.120 0.017 0.000 0.250 250 V C 2.482 178.667 176.094 0.151 0.000 1.060 250 V CA 2.367 64.748 62.300 0.135 0.000 1.042 250 V CB -0.934 30.953 31.823 0.108 0.000 0.650 250 V HN 0.952 nan 8.190 nan 0.000 0.450 251 R N 0.477 121.032 120.500 0.091 0.000 2.152 251 R HA -0.173 4.178 4.340 0.017 0.000 0.232 251 R C 1.594 177.916 176.300 0.037 0.000 1.117 251 R CA 2.011 58.160 56.100 0.082 0.000 0.981 251 R CB -0.712 29.631 30.300 0.073 0.000 0.870 251 R HN 0.426 nan 8.270 nan 0.000 0.451 252 D N 0.626 121.033 120.400 0.012 0.000 2.312 252 D HA -0.021 4.630 4.640 0.017 0.000 0.211 252 D C 1.818 178.065 176.300 -0.088 0.000 0.964 252 D CA 0.973 54.958 54.000 -0.025 0.000 0.877 252 D CB 0.135 40.929 40.800 -0.010 0.000 0.924 252 D HN 0.421 nan 8.370 nan 0.000 0.515 253 I N -0.984 119.493 120.570 -0.155 0.000 2.685 253 I HA -0.134 4.046 4.170 0.017 0.000 0.251 253 I C 1.330 177.119 176.117 -0.547 0.000 1.102 253 I CA 0.408 61.464 61.300 -0.408 0.000 1.442 253 I CB 0.077 37.681 38.000 -0.660 0.000 1.194 253 I HN -0.127 nan 8.210 nan 0.000 0.448 254 Y N 0.909 121.158 120.300 -0.085 0.000 2.457 254 Y HA 0.336 4.897 4.550 0.018 0.000 0.263 254 Y C 1.698 177.581 175.900 -0.028 0.000 1.164 254 Y CA 0.239 58.293 58.100 -0.077 0.000 1.274 254 Y CB 0.027 38.430 38.460 -0.095 0.000 1.097 254 Y HN 0.268 nan 8.280 nan 0.000 0.523 255 G N -0.050 108.789 108.800 0.066 0.000 2.176 255 G HA2 0.041 4.012 3.960 0.017 0.000 0.252 255 G HA3 0.041 4.012 3.960 0.017 0.000 0.252 255 G C 0.550 175.497 174.900 0.078 0.000 1.024 255 G CA 0.263 45.394 45.100 0.052 0.000 0.755 255 G HN 0.997 nan 8.290 nan 0.000 0.507 256 G N -0.630 108.235 108.800 0.108 0.000 2.373 256 G HA2 0.509 4.479 3.960 0.017 0.000 0.250 256 G HA3 0.509 4.479 3.960 0.017 0.000 0.250 256 G C -0.709 174.255 174.900 0.105 0.000 1.304 256 G CA 0.540 45.697 45.100 0.095 0.000 0.948 256 G HN 1.211 nan 8.290 nan 0.000 0.474 257 D N -0.410 120.029 120.400 0.066 0.000 2.339 257 D HA 0.311 4.961 4.640 0.017 0.000 0.245 257 D C -0.612 175.716 176.300 0.047 0.000 1.115 257 D CA -0.388 53.628 54.000 0.027 0.000 0.917 257 D CB 1.103 41.895 40.800 -0.013 0.000 1.192 257 D HN 0.275 nan 8.370 nan 0.000 0.428 258 Y N 1.538 121.703 120.300 -0.224 0.000 2.636 258 Y HA 0.120 4.682 4.550 0.019 0.000 0.341 258 Y C 1.277 177.024 175.900 -0.254 0.000 1.169 258 Y CA -0.951 56.865 58.100 -0.473 0.000 1.498 258 Y CB -0.355 37.696 38.460 -0.682 0.000 1.362 258 Y HN 0.485 nan 8.280 nan 0.000 0.494 259 E N 2.510 122.704 120.200 -0.010 0.000 2.065 259 E HA -0.356 4.004 4.350 0.017 0.000 0.201 259 E C 1.901 178.332 176.600 -0.282 0.000 1.016 259 E CA 1.709 58.043 56.400 -0.110 0.000 0.818 259 E CB 0.070 29.739 29.700 -0.051 0.000 0.749 259 E HN 0.449 nan 8.360 nan 0.000 0.453 260 R N 0.523 120.780 120.500 -0.404 0.000 2.140 260 R HA -0.179 4.171 4.340 0.017 0.000 0.250 260 R C 1.270 176.938 176.300 -1.053 0.000 1.150 260 R CA 1.729 57.391 56.100 -0.731 0.000 0.966 260 R CB -0.395 29.429 30.300 -0.793 0.000 0.869 260 R HN 0.176 nan 8.270 nan 0.000 0.445 261 F N -1.209 118.327 119.950 -0.689 0.000 2.698 261 F HA 0.376 4.903 4.527 0.001 0.000 0.304 261 F C 1.298 176.903 175.800 -0.326 0.000 1.108 261 F CA 0.067 57.784 58.000 -0.471 0.000 1.263 261 F CB 0.813 39.500 39.000 -0.523 0.000 1.013 261 F HN 0.250 nan 8.300 nan 0.000 0.532 262 G N 1.481 110.159 108.800 -0.203 0.000 2.233 262 G HA2 -0.325 3.646 3.960 0.017 0.000 0.270 262 G HA3 -0.325 3.646 3.960 0.017 0.000 0.270 262 G C 0.212 175.050 174.900 -0.103 0.000 1.011 262 G CA -0.096 44.928 45.100 -0.126 0.000 0.762 262 G HN 0.348 nan 8.290 nan 0.000 0.511 263 L N 1.955 123.124 121.223 -0.090 0.000 2.361 263 L HA 0.267 4.618 4.340 0.017 0.000 0.278 263 L C -1.108 175.663 176.870 -0.165 0.000 1.113 263 L CA -1.749 53.038 54.840 -0.087 0.000 0.849 263 L CB 0.615 42.686 42.059 0.019 0.000 1.155 263 L HN 0.040 nan 8.230 nan 0.000 0.452 264 P HA -0.001 nan 4.420 nan 0.000 0.269 264 P C 0.675 177.666 177.300 -0.514 0.000 1.209 264 P CA -0.160 62.620 63.100 -0.533 0.000 0.776 264 P CB 0.995 32.059 31.700 -1.060 0.000 0.876 265 G N 2.113 110.739 108.800 -0.290 0.000 2.448 265 G HA2 -0.211 3.760 3.960 0.017 0.000 0.219 265 G HA3 -0.211 3.760 3.960 0.017 0.000 0.219 265 G C 1.162 176.019 174.900 -0.071 0.000 1.127 265 G CA -0.012 45.031 45.100 -0.096 0.000 0.766 265 G HN 0.736 nan 8.290 nan 0.000 0.552 266 W N 0.318 121.644 121.300 0.044 0.000 2.905 266 W HA 0.607 5.279 4.660 0.021 0.000 0.251 266 W C 0.817 177.331 176.519 -0.008 0.000 1.305 266 W CA -0.496 56.860 57.345 0.019 0.000 1.465 266 W CB -0.763 28.708 29.460 0.018 0.000 1.122 266 W HN 0.235 nan 8.180 nan 0.000 0.659 267 A N 2.222 124.821 122.820 -0.367 0.000 2.483 267 A HA 0.316 4.646 4.320 0.017 0.000 0.238 267 A C 0.138 177.673 177.584 -0.082 0.000 1.070 267 A CA -0.225 51.628 52.037 -0.306 0.000 0.770 267 A CB 0.513 19.226 19.000 -0.478 0.000 1.008 267 A HN 0.022 nan 8.150 nan 0.000 0.497 268 V N 2.399 122.281 119.914 -0.054 0.000 2.508 268 V HA 0.286 4.417 4.120 0.017 0.000 0.281 268 V C 1.353 177.464 176.094 0.028 0.000 1.041 268 V CA 0.688 62.993 62.300 0.009 0.000 1.016 268 V CB 0.467 32.307 31.823 0.028 0.000 0.984 268 V HN 1.106 nan 8.190 nan 0.000 0.478 269 A N 4.109 126.959 122.820 0.051 0.000 1.887 269 A HA 0.235 4.565 4.320 0.017 0.000 0.212 269 A C 1.192 178.826 177.584 0.083 0.000 1.198 269 A CA 0.930 53.013 52.037 0.076 0.000 0.628 269 A CB 0.172 19.218 19.000 0.076 0.000 0.847 269 A HN 0.763 nan 8.150 nan 0.000 0.449 270 S N -0.217 115.528 115.700 0.075 0.000 2.720 270 S HA 0.477 4.957 4.470 0.017 0.000 0.278 270 S C -0.775 173.881 174.600 0.093 0.000 1.172 270 S CA -0.512 57.740 58.200 0.087 0.000 1.019 270 S CB 1.076 64.320 63.200 0.074 0.000 1.049 270 S HN 0.260 nan 8.310 nan 0.000 0.483 271 S N 3.566 119.341 115.700 0.126 0.000 2.533 271 S HA 0.334 4.814 4.470 0.017 0.000 0.282 271 S C 0.150 174.912 174.600 0.271 0.000 1.304 271 S CA 0.024 58.309 58.200 0.143 0.000 1.063 271 S CB -0.555 62.785 63.200 0.234 0.000 0.881 271 S HN 0.842 nan 8.310 nan 0.000 0.493 272 F N 0.223 120.204 119.950 0.051 0.000 3.021 272 F HA -0.283 4.254 4.527 0.016 0.000 0.294 272 F C 1.815 177.630 175.800 0.025 0.000 0.761 272 F CA 0.605 58.629 58.000 0.039 0.000 1.102 272 F CB -1.902 37.117 39.000 0.032 0.000 1.380 272 F HN 0.767 nan 8.300 nan 0.000 0.387 273 G N -0.089 108.801 108.800 0.149 0.000 2.450 273 G HA2 -0.289 3.681 3.960 0.017 0.000 0.220 273 G HA3 -0.289 3.681 3.960 0.017 0.000 0.220 273 G C 1.255 176.206 174.900 0.084 0.000 1.130 273 G CA 1.203 46.360 45.100 0.096 0.000 0.760 273 G HN 0.600 nan 8.290 nan 0.000 0.557 274 N N -0.245 118.534 118.700 0.132 0.000 2.461 274 N HA 0.076 4.826 4.740 0.017 0.000 0.188 274 N C 1.427 177.053 175.510 0.193 0.000 1.134 274 N CA -0.199 52.992 53.050 0.235 0.000 0.878 274 N CB 0.034 38.643 38.487 0.203 0.000 0.972 274 N HN 0.149 nan 8.380 nan 0.000 0.456 275 M N 0.893 120.562 119.600 0.115 0.000 2.633 275 M HA 0.076 4.566 4.480 0.017 0.000 0.226 275 M C 1.473 177.764 176.300 -0.015 0.000 1.137 275 M CA 0.552 55.911 55.300 0.097 0.000 1.020 275 M CB -0.792 31.909 32.600 0.169 0.000 1.675 275 M HN 0.312 nan 8.290 nan 0.000 0.500 276 I N -3.196 117.263 120.570 -0.186 0.000 3.419 276 I HA 0.001 4.181 4.170 0.017 0.000 0.286 276 I C -0.233 175.655 176.117 -0.383 0.000 1.268 276 I CA 0.099 61.202 61.300 -0.329 0.000 1.414 276 I CB -0.285 37.425 38.000 -0.483 0.000 1.074 276 I HN -0.064 nan 8.210 nan 0.000 0.457 277 Y N 2.491 122.805 120.300 0.023 0.000 2.404 277 Y HA 0.313 4.873 4.550 0.017 0.000 0.344 277 Y C 1.539 177.449 175.900 0.017 0.000 0.970 277 Y CA -0.641 57.468 58.100 0.015 0.000 1.180 277 Y CB 1.147 39.613 38.460 0.011 0.000 1.138 277 Y HN -0.036 nan 8.280 nan 0.000 0.510 278 K N 2.600 123.076 120.400 0.126 0.000 2.052 278 K HA -0.319 4.012 4.320 0.017 0.000 0.215 278 K C 1.121 177.773 176.600 0.086 0.000 1.053 278 K CA 2.493 58.829 56.287 0.081 0.000 0.934 278 K CB 0.078 32.613 32.500 0.059 0.000 0.717 278 K HN 0.874 nan 8.250 nan 0.000 0.450 279 E N 0.115 120.373 120.200 0.096 0.000 2.097 279 E HA -0.201 4.159 4.350 0.017 0.000 0.196 279 E C 2.110 178.752 176.600 0.070 0.000 1.000 279 E CA 1.249 57.689 56.400 0.067 0.000 0.804 279 E CB 0.021 29.748 29.700 0.046 0.000 0.740 279 E HN 0.245 nan 8.360 nan 0.000 0.454 280 K N 0.727 121.193 120.400 0.111 0.000 2.097 280 K HA -0.074 4.257 4.320 0.017 0.000 0.205 280 K C 2.066 178.719 176.600 0.088 0.000 1.050 280 K CA 0.879 57.228 56.287 0.104 0.000 0.938 280 K CB -0.224 32.379 32.500 0.172 0.000 0.718 280 K HN 0.131 nan 8.250 nan 0.000 0.442 281 R N 0.995 121.550 120.500 0.092 0.000 2.115 281 R HA -0.093 4.257 4.340 0.017 0.000 0.230 281 R C 2.167 178.500 176.300 0.055 0.000 1.111 281 R CA 1.064 57.208 56.100 0.073 0.000 0.976 281 R CB -0.113 30.224 30.300 0.062 0.000 0.870 281 R HN 0.397 nan 8.270 nan 0.000 0.445 282 E N 0.470 120.699 120.200 0.048 0.000 2.051 282 E HA -0.151 4.209 4.350 0.017 0.000 0.192 282 E C 2.041 178.660 176.600 0.031 0.000 0.991 282 E CA 1.775 58.196 56.400 0.035 0.000 0.799 282 E CB -0.034 29.684 29.700 0.030 0.000 0.748 282 E HN 0.341 nan 8.360 nan 0.000 0.449 283 S N 0.646 116.365 115.700 0.032 0.000 2.470 283 S HA 0.019 4.500 4.470 0.017 0.000 0.225 283 S C 1.089 175.704 174.600 0.026 0.000 1.006 283 S CA -0.312 57.903 58.200 0.024 0.000 0.934 283 S CB -0.017 63.194 63.200 0.019 0.000 0.778 283 S HN 0.061 nan 8.310 nan 0.000 0.517 284 V N 4.149 124.085 119.914 0.037 0.000 2.599 284 V HA 0.318 4.448 4.120 0.017 0.000 0.300 284 V C 0.514 176.629 176.094 0.035 0.000 1.034 284 V CA 0.108 62.432 62.300 0.039 0.000 1.115 284 V CB 0.559 32.417 31.823 0.059 0.000 0.934 284 V HN 0.709 nan 8.190 nan 0.000 0.485 285 S N 7.129 122.845 115.700 0.027 0.000 2.646 285 S HA 0.435 4.915 4.470 0.017 0.000 0.276 285 S C 0.946 175.566 174.600 0.032 0.000 1.222 285 S CA -0.715 57.500 58.200 0.024 0.000 1.014 285 S CB 1.488 64.696 63.200 0.014 0.000 0.991 285 S HN 0.709 nan 8.310 nan 0.000 0.533 286 K N 1.413 121.830 120.400 0.028 0.000 2.044 286 K HA -0.140 4.190 4.320 0.017 0.000 0.210 286 K C 1.883 178.505 176.600 0.037 0.000 1.049 286 K CA 1.908 58.215 56.287 0.033 0.000 0.927 286 K CB -0.769 31.743 32.500 0.021 0.000 0.713 286 K HN 0.735 nan 8.250 nan 0.000 0.443 287 E N 1.015 121.230 120.200 0.025 0.000 2.118 287 E HA -0.155 4.206 4.350 0.017 0.000 0.195 287 E C 1.692 178.309 176.600 0.027 0.000 0.992 287 E CA 1.256 57.670 56.400 0.024 0.000 0.804 287 E CB -0.166 29.538 29.700 0.008 0.000 0.741 287 E HN 0.255 nan 8.360 nan 0.000 0.458 288 D N -0.125 120.288 120.400 0.021 0.000 2.097 288 D HA -0.096 4.555 4.640 0.017 0.000 0.197 288 D C 1.957 178.268 176.300 0.018 0.000 0.984 288 D CA 0.750 54.754 54.000 0.008 0.000 0.826 288 D CB -0.201 40.601 40.800 0.003 0.000 0.973 288 D HN 0.172 nan 8.370 nan 0.000 0.460 289 L N 0.586 121.849 121.223 0.067 0.000 2.083 289 L HA -0.121 4.230 4.340 0.017 0.000 0.209 289 L C 2.485 179.464 176.870 0.181 0.000 1.083 289 L CA 1.032 55.963 54.840 0.151 0.000 0.752 289 L CB -0.427 41.749 42.059 0.195 0.000 0.899 289 L HN -0.023 nan 8.230 nan 0.000 0.433 290 A N 0.227 123.129 122.820 0.136 0.000 1.898 290 A HA -0.225 4.106 4.320 0.017 0.000 0.216 290 A C 2.376 180.110 177.584 0.250 0.000 1.181 290 A CA 1.681 53.828 52.037 0.182 0.000 0.620 290 A CB -0.421 18.655 19.000 0.126 0.000 0.819 290 A HN 0.270 nan 8.150 nan 0.000 0.442 291 R N 0.210 120.786 120.500 0.128 0.000 2.115 291 R HA 0.087 4.438 4.340 0.017 0.000 0.226 291 R C 2.031 178.353 176.300 0.038 0.000 1.100 291 R CA 1.696 57.841 56.100 0.075 0.000 0.980 291 R CB -0.865 29.437 30.300 0.003 0.000 0.875 291 R HN 0.373 nan 8.270 nan 0.000 0.445 292 A N -0.875 121.924 122.820 -0.034 0.000 1.969 292 A HA -0.083 4.248 4.320 0.017 0.000 0.218 292 A C 2.083 179.622 177.584 -0.075 0.000 1.169 292 A CA 1.863 53.763 52.037 -0.229 0.000 0.635 292 A CB -0.819 17.812 19.000 -0.614 0.000 0.810 292 A HN 0.437 nan 8.150 nan 0.000 0.445 293 T N 0.080 114.781 114.554 0.245 0.000 2.737 293 T HA -0.116 4.244 4.350 0.017 0.000 0.265 293 T C 1.829 176.792 174.700 0.439 0.000 1.038 293 T CA 1.489 63.894 62.100 0.509 0.000 1.144 293 T CB -0.331 68.856 68.868 0.532 0.000 0.866 293 T HN 0.294 nan 8.240 nan 0.000 0.434 294 L N 1.297 122.750 121.223 0.383 0.000 2.056 294 L HA 0.002 4.352 4.340 0.017 0.000 0.207 294 L C 2.424 179.354 176.870 0.099 0.000 1.078 294 L CA 1.415 56.333 54.840 0.130 0.000 0.749 294 L CB -0.657 41.365 42.059 -0.062 0.000 0.901 294 L HN 0.065 nan 8.230 nan 0.000 0.433 295 V N -0.869 119.093 119.914 0.079 0.000 2.407 295 V HA -0.279 3.852 4.120 0.017 0.000 0.248 295 V C 2.443 178.607 176.094 0.117 0.000 1.055 295 V CA 2.137 64.475 62.300 0.064 0.000 1.049 295 V CB -0.973 30.853 31.823 0.006 0.000 0.662 295 V HN 0.530 nan 8.190 nan 0.000 0.455 296 T N 0.416 115.052 114.554 0.137 0.000 2.746 296 T HA -0.108 4.252 4.350 0.017 0.000 0.267 296 T C 1.889 176.697 174.700 0.181 0.000 1.039 296 T CA 1.427 63.636 62.100 0.182 0.000 1.142 296 T CB -0.193 68.840 68.868 0.274 0.000 0.866 296 T HN 0.194 nan 8.240 nan 0.000 0.444 297 I N 2.272 122.947 120.570 0.176 0.000 2.202 297 I HA -0.131 4.049 4.170 0.017 0.000 0.242 297 I C 2.982 179.158 176.117 0.100 0.000 1.091 297 I CA 1.857 63.228 61.300 0.118 0.000 1.368 297 I CB -1.863 36.193 38.000 0.093 0.000 1.058 297 I HN 0.439 nan 8.210 nan 0.000 0.410 298 T N -0.935 113.696 114.554 0.129 0.000 2.857 298 T HA -0.092 4.268 4.350 0.017 0.000 0.266 298 T C 1.741 176.566 174.700 0.209 0.000 1.048 298 T CA 1.113 63.306 62.100 0.154 0.000 1.139 298 T CB -0.414 68.544 68.868 0.150 0.000 0.874 298 T HN 0.139 nan 8.240 nan 0.000 0.455 299 N N 1.959 120.806 118.700 0.245 0.000 2.188 299 N HA -0.038 4.712 4.740 0.017 0.000 0.184 299 N C 1.887 177.634 175.510 0.395 0.000 1.018 299 N CA 1.282 54.559 53.050 0.379 0.000 0.858 299 N CB -0.726 37.965 38.487 0.341 0.000 0.989 299 N HN 0.544 nan 8.380 nan 0.000 0.426 300 N N 0.747 119.581 118.700 0.224 0.000 2.142 300 N HA 0.057 4.807 4.740 0.017 0.000 0.186 300 N C 1.682 177.210 175.510 0.030 0.000 1.023 300 N CA 0.661 53.770 53.050 0.098 0.000 0.852 300 N CB -0.037 38.496 38.487 0.077 0.000 0.998 300 N HN 0.165 nan 8.380 nan 0.000 0.424 301 I N -0.228 120.393 120.570 0.086 0.000 2.226 301 I HA -0.162 4.019 4.170 0.017 0.000 0.245 301 I C 2.281 178.484 176.117 0.143 0.000 1.100 301 I CA 1.221 62.581 61.300 0.100 0.000 1.374 301 I CB -0.693 37.394 38.000 0.144 0.000 1.057 301 I HN 0.284 nan 8.210 nan 0.000 0.413 302 G N -0.388 108.535 108.800 0.205 0.000 2.442 302 G HA2 -0.298 3.672 3.960 0.017 0.000 0.219 302 G HA3 -0.298 3.672 3.960 0.017 0.000 0.219 302 G C 1.772 176.695 174.900 0.038 0.000 1.141 302 G CA 1.104 46.368 45.100 0.273 0.000 0.763 302 G HN 0.395 nan 8.290 nan 0.000 0.554 303 S N -0.416 115.045 115.700 -0.399 0.000 2.355 303 S HA -0.092 4.388 4.470 0.017 0.000 0.222 303 S C 2.530 176.872 174.600 -0.430 0.000 1.031 303 S CA 1.488 59.092 58.200 -0.994 0.000 0.993 303 S CB -0.320 62.006 63.200 -1.458 0.000 0.859 303 S HN 0.120 nan 8.310 nan 0.000 0.453 304 V N 2.392 122.155 119.914 -0.251 0.000 2.295 304 V HA -0.146 3.984 4.120 0.017 0.000 0.246 304 V C 2.915 178.949 176.094 -0.100 0.000 1.049 304 V CA 1.833 64.043 62.300 -0.150 0.000 1.024 304 V CB -1.446 30.322 31.823 -0.093 0.000 0.648 304 V HN 0.618 nan 8.190 nan 0.000 0.447 305 A N -0.030 122.760 122.820 -0.049 0.000 1.908 305 A HA -0.257 4.074 4.320 0.017 0.000 0.218 305 A C 2.439 180.002 177.584 -0.035 0.000 1.181 305 A CA 1.980 53.992 52.037 -0.041 0.000 0.627 305 A CB -0.592 18.431 19.000 0.037 0.000 0.818 305 A HN 0.393 nan 8.150 nan 0.000 0.445 306 R N -0.398 120.097 120.500 -0.008 0.000 2.070 306 R HA -0.093 4.257 4.340 0.017 0.000 0.233 306 R C 2.123 178.408 176.300 -0.026 0.000 1.137 306 R CA 2.122 58.229 56.100 0.012 0.000 0.945 306 R CB -0.530 29.811 30.300 0.069 0.000 0.845 306 R HN 0.624 nan 8.270 nan 0.000 0.430 307 M N -0.586 118.972 119.600 -0.070 0.000 2.159 307 M HA -0.196 4.294 4.480 0.017 0.000 0.263 307 M C 2.734 179.004 176.300 -0.050 0.000 1.063 307 M CA 1.354 56.616 55.300 -0.064 0.000 1.110 307 M CB -0.442 32.100 32.600 -0.098 0.000 1.374 307 M HN 0.290 nan 8.290 nan 0.000 0.411 308 C N 0.494 119.759 119.300 -0.058 0.000 2.466 308 C HA -0.016 4.455 4.460 0.017 0.000 0.278 308 C C 2.992 177.956 174.990 -0.045 0.000 1.288 308 C CA 1.127 60.114 59.018 -0.052 0.000 1.722 308 C CB -0.990 26.710 27.740 -0.067 0.000 2.017 308 C HN 0.585 nan 8.230 nan 0.000 0.488 309 A N 0.070 122.861 122.820 -0.048 0.000 1.877 309 A HA -0.080 4.251 4.320 0.017 0.000 0.216 309 A C 2.329 179.901 177.584 -0.020 0.000 1.186 309 A CA 2.341 54.354 52.037 -0.041 0.000 0.620 309 A CB -0.929 18.048 19.000 -0.039 0.000 0.822 309 A HN 0.449 nan 8.150 nan 0.000 0.443 310 V N 0.825 120.731 119.914 -0.014 0.000 2.255 310 V HA -0.289 3.841 4.120 0.017 0.000 0.247 310 V C 2.465 178.557 176.094 -0.004 0.000 1.051 310 V CA 2.450 64.747 62.300 -0.005 0.000 1.018 310 V CB -1.117 30.704 31.823 -0.004 0.000 0.641 310 V HN 0.776 nan 8.190 nan 0.000 0.445 311 N N 0.120 118.815 118.700 -0.009 0.000 2.205 311 N HA -0.186 4.564 4.740 0.017 0.000 0.186 311 N C 1.687 177.201 175.510 0.007 0.000 1.015 311 N CA 1.355 54.402 53.050 -0.005 0.000 0.862 311 N CB -0.076 38.404 38.487 -0.012 0.000 0.986 311 N HN 0.421 nan 8.380 nan 0.000 0.429 312 E N 0.432 120.637 120.200 0.008 0.000 2.478 312 E HA 0.021 4.382 4.350 0.017 0.000 0.194 312 E C -0.111 176.516 176.600 0.044 0.000 1.045 312 E CA 0.157 56.577 56.400 0.032 0.000 0.868 312 E CB 0.135 29.843 29.700 0.013 0.000 0.885 312 E HN 0.361 nan 8.360 nan 0.000 0.505 313 K N 0.428 120.842 120.400 0.022 0.000 3.125 313 K HA -0.171 4.160 4.320 0.017 0.000 0.268 313 K C -0.416 176.200 176.600 0.027 0.000 1.078 313 K CA 0.389 56.691 56.287 0.024 0.000 0.775 313 K CB -1.675 30.844 32.500 0.032 0.000 1.253 313 K HN 0.171 nan 8.250 nan 0.000 0.486 314 I N 1.268 121.843 120.570 0.007 0.000 2.406 314 I HA 0.112 4.292 4.170 0.017 0.000 0.290 314 I C 0.756 176.861 176.117 -0.020 0.000 0.999 314 I CA -0.844 60.453 61.300 -0.006 0.000 1.124 314 I CB 1.523 39.501 38.000 -0.038 0.000 1.289 314 I HN 0.166 nan 8.210 nan 0.000 0.441 315 N N 4.673 123.366 118.700 -0.013 0.000 2.214 315 N HA 0.149 4.900 4.740 0.017 0.000 0.214 315 N C -0.101 175.383 175.510 -0.043 0.000 1.132 315 N CA -0.405 52.634 53.050 -0.018 0.000 0.856 315 N CB 0.408 38.897 38.487 0.003 0.000 1.020 315 N HN 0.435 nan 8.380 nan 0.000 0.509 316 R N 0.390 120.851 120.500 -0.065 0.000 2.388 316 R HA 0.477 4.828 4.340 0.017 0.000 0.314 316 R C -1.430 174.773 176.300 -0.162 0.000 0.959 316 R CA -0.678 55.355 56.100 -0.112 0.000 0.851 316 R CB 2.016 32.278 30.300 -0.064 0.000 1.168 316 R HN -0.051 nan 8.270 nan 0.000 0.472 317 V N 4.074 123.867 119.914 -0.202 0.000 2.350 317 V HA 0.303 4.433 4.120 0.017 0.000 0.285 317 V C -0.350 175.547 176.094 -0.329 0.000 1.014 317 V CA -0.814 61.326 62.300 -0.267 0.000 0.831 317 V CB 1.730 33.433 31.823 -0.200 0.000 1.000 317 V HN 0.428 nan 8.190 nan 0.000 0.433 318 V N 6.393 126.071 119.914 -0.393 0.000 2.483 318 V HA 0.643 4.773 4.120 0.017 0.000 0.295 318 V C -0.998 174.840 176.094 -0.427 0.000 1.035 318 V CA -0.360 61.735 62.300 -0.342 0.000 0.896 318 V CB 1.598 33.273 31.823 -0.246 0.000 0.986 318 V HN 0.649 nan 8.190 nan 0.000 0.447 319 F N 6.162 125.925 119.950 -0.312 0.000 2.436 319 F HA 0.734 5.270 4.527 0.016 0.000 0.340 319 F C 0.339 176.183 175.800 0.075 0.000 1.113 319 F CA -0.388 57.555 58.000 -0.094 0.000 1.022 319 F CB 1.818 40.800 39.000 -0.030 0.000 1.128 319 F HN 0.509 nan 8.300 nan 0.000 0.466 320 V N -0.218 119.845 119.914 0.248 0.000 3.105 320 V HA 1.094 5.224 4.120 0.017 0.000 0.311 320 V C -0.154 176.084 176.094 0.239 0.000 1.287 320 V CA -0.844 61.611 62.300 0.259 0.000 1.066 320 V CB 1.281 33.241 31.823 0.228 0.000 1.105 320 V HN 1.341 nan 8.190 nan 0.000 0.462 321 G N 1.113 110.031 108.800 0.198 0.000 2.525 321 G HA2 -0.001 3.970 3.960 0.017 0.000 0.685 321 G HA3 -0.001 3.970 3.960 0.017 0.000 0.685 321 G C -0.182 174.809 174.900 0.152 0.000 1.285 321 G CA 0.217 45.413 45.100 0.161 0.000 0.849 321 G HN 2.112 nan 8.290 nan 0.000 0.653 322 N N -0.213 118.542 118.700 0.091 0.000 2.334 322 N HA -0.136 4.614 4.740 0.017 0.000 0.187 322 N C 1.839 177.403 175.510 0.089 0.000 1.016 322 N CA 2.427 55.506 53.050 0.049 0.000 0.879 322 N CB -0.189 38.285 38.487 -0.021 0.000 0.965 322 N HN 0.792 nan 8.380 nan 0.000 0.438 323 F N 0.637 120.572 119.950 -0.024 0.000 2.408 323 F HA 0.137 4.674 4.527 0.018 0.000 0.300 323 F C 1.275 177.205 175.800 0.217 0.000 1.090 323 F CA 0.779 58.794 58.000 0.025 0.000 1.427 323 F CB 0.195 39.217 39.000 0.037 0.000 1.070 323 F HN 0.043 nan 8.300 nan 0.000 0.549 324 L N -0.427 120.870 121.223 0.123 0.000 2.640 324 L HA 0.183 4.534 4.340 0.017 0.000 0.230 324 L C 1.751 178.643 176.870 0.037 0.000 1.123 324 L CA 0.026 54.885 54.840 0.032 0.000 0.900 324 L CB -0.314 41.857 42.059 0.186 0.000 1.146 324 L HN -0.049 nan 8.230 nan 0.000 0.484 325 R N -0.531 120.019 120.500 0.082 0.000 2.276 325 R HA 0.011 4.362 4.340 0.017 0.000 0.203 325 R C 1.669 178.001 176.300 0.053 0.000 1.017 325 R CA 0.311 56.451 56.100 0.067 0.000 1.010 325 R CB 0.085 30.420 30.300 0.059 0.000 0.900 325 R HN 0.157 nan 8.270 nan 0.000 0.469 326 V N 0.548 120.492 119.914 0.049 0.000 2.523 326 V HA -0.016 4.115 4.120 0.017 0.000 0.226 326 V C 0.679 176.708 176.094 -0.108 0.000 1.107 326 V CA 0.740 63.013 62.300 -0.044 0.000 1.121 326 V CB -0.098 31.620 31.823 -0.176 0.000 0.753 326 V HN 0.232 nan 8.190 nan 0.000 0.497 327 N N 0.639 119.226 118.700 -0.190 0.000 2.472 327 N HA 0.224 4.974 4.740 0.017 0.000 0.289 327 N C 0.775 176.176 175.510 -0.183 0.000 1.156 327 N CA 0.598 53.540 53.050 -0.179 0.000 0.940 327 N CB 1.489 39.849 38.487 -0.213 0.000 1.200 327 N HN 0.480 nan 8.380 nan 0.000 0.511 328 T N -1.873 112.587 114.554 -0.156 0.000 3.148 328 T HA -0.029 4.331 4.350 0.017 0.000 0.253 328 T C 1.666 176.193 174.700 -0.288 0.000 1.134 328 T CA 0.128 62.123 62.100 -0.175 0.000 1.051 328 T CB -0.083 68.736 68.868 -0.082 0.000 0.959 328 T HN 0.283 nan 8.240 nan 0.000 0.525 329 L N 1.879 122.944 121.223 -0.262 0.000 2.017 329 L HA 0.041 4.391 4.340 0.017 0.000 0.208 329 L C 2.576 179.272 176.870 -0.290 0.000 1.073 329 L CA 1.712 56.388 54.840 -0.274 0.000 0.745 329 L CB -1.103 40.817 42.059 -0.233 0.000 0.894 329 L HN 0.244 nan 8.230 nan 0.000 0.432 330 S N -0.607 114.907 115.700 -0.311 0.000 2.359 330 S HA -0.220 4.260 4.470 0.017 0.000 0.224 330 S C 1.934 176.420 174.600 -0.190 0.000 1.035 330 S CA 1.984 60.025 58.200 -0.265 0.000 1.018 330 S CB -0.357 62.532 63.200 -0.518 0.000 0.876 330 S HN 0.458 nan 8.310 nan 0.000 0.448 331 M N 0.971 120.396 119.600 -0.293 0.000 2.108 331 M HA -0.159 4.331 4.480 0.017 0.000 0.261 331 M C 2.132 178.143 176.300 -0.482 0.000 1.066 331 M CA 1.477 56.511 55.300 -0.443 0.000 1.107 331 M CB -0.463 31.649 32.600 -0.813 0.000 1.356 331 M HN 0.204 nan 8.290 nan 0.000 0.406 332 K N 0.347 120.363 120.400 -0.639 0.000 2.097 332 K HA -0.068 4.262 4.320 0.017 0.000 0.205 332 K C 1.850 178.301 176.600 -0.247 0.000 1.050 332 K CA 1.054 56.952 56.287 -0.649 0.000 0.938 332 K CB -0.197 31.908 32.500 -0.659 0.000 0.718 332 K HN 0.349 nan 8.250 nan 0.000 0.442 333 L N 0.778 121.898 121.223 -0.171 0.000 2.217 333 L HA -0.125 4.225 4.340 0.017 0.000 0.211 333 L C 2.208 179.134 176.870 0.093 0.000 1.107 333 L CA 0.751 55.578 54.840 -0.023 0.000 0.783 333 L CB -0.304 41.729 42.059 -0.044 0.000 0.919 333 L HN 0.186 nan 8.230 nan 0.000 0.442 334 L N -0.457 120.774 121.223 0.014 0.000 2.109 334 L HA -0.126 4.224 4.340 0.017 0.000 0.207 334 L C 2.859 179.716 176.870 -0.021 0.000 1.086 334 L CA 0.965 55.777 54.840 -0.047 0.000 0.760 334 L CB -0.547 41.366 42.059 -0.244 0.000 0.910 334 L HN 0.212 nan 8.230 nan 0.000 0.437 335 A N -0.509 122.364 122.820 0.089 0.000 1.898 335 A HA -0.293 4.037 4.320 0.017 0.000 0.216 335 A C 2.187 179.878 177.584 0.178 0.000 1.181 335 A CA 1.589 53.740 52.037 0.190 0.000 0.620 335 A CB -0.910 18.274 19.000 0.307 0.000 0.819 335 A HN 0.488 nan 8.150 nan 0.000 0.442 336 Y N 0.801 121.123 120.300 0.038 0.000 2.128 336 Y HA -0.136 4.425 4.550 0.019 0.000 0.284 336 Y C 2.575 178.542 175.900 0.112 0.000 1.154 336 Y CA 1.438 59.565 58.100 0.044 0.000 1.149 336 Y CB -0.593 37.851 38.460 -0.027 0.000 0.976 336 Y HN 0.303 nan 8.280 nan 0.000 0.505 337 A N 0.305 123.183 122.820 0.096 0.000 1.858 337 A HA -0.187 4.144 4.320 0.017 0.000 0.216 337 A C 2.204 179.947 177.584 0.265 0.000 1.190 337 A CA 1.814 53.931 52.037 0.134 0.000 0.617 337 A CB -1.318 17.870 19.000 0.314 0.000 0.827 337 A HN 0.540 nan 8.150 nan 0.000 0.443 338 L N 0.606 121.973 121.223 0.239 0.000 2.046 338 L HA -0.181 4.169 4.340 0.017 0.000 0.208 338 L C 2.117 179.093 176.870 0.177 0.000 1.077 338 L CA 2.610 57.608 54.840 0.263 0.000 0.747 338 L CB -0.629 41.566 42.059 0.228 0.000 0.896 338 L HN 0.603 nan 8.230 nan 0.000 0.432 339 D N -1.861 118.600 120.400 0.102 0.000 2.144 339 D HA -0.304 4.346 4.640 0.017 0.000 0.199 339 D C 2.092 178.391 176.300 -0.003 0.000 0.984 339 D CA 1.461 55.493 54.000 0.054 0.000 0.834 339 D CB -0.078 40.758 40.800 0.059 0.000 0.955 339 D HN 0.514 nan 8.370 nan 0.000 0.465 340 Y N 0.021 120.198 120.300 -0.204 0.000 2.133 340 Y HA -0.176 4.384 4.550 0.017 0.000 0.287 340 Y C 2.067 177.836 175.900 -0.218 0.000 1.134 340 Y CA 1.842 59.761 58.100 -0.302 0.000 1.133 340 Y CB -0.905 37.196 38.460 -0.598 0.000 0.987 340 Y HN -0.016 nan 8.280 nan 0.000 0.502 341 W N 0.320 121.584 121.300 -0.061 0.000 2.425 341 W HA -0.111 4.557 4.660 0.012 0.000 0.277 341 W C 2.501 178.938 176.519 -0.136 0.000 1.231 341 W CA 1.365 58.639 57.345 -0.118 0.000 1.248 341 W CB -0.447 29.054 29.460 0.068 0.000 1.117 341 W HN 0.264 nan 8.180 nan 0.000 0.568 342 S N 0.067 115.833 115.700 0.110 0.000 2.577 342 S HA 0.137 4.617 4.470 0.017 0.000 0.219 342 S C 0.578 175.167 174.600 -0.017 0.000 0.962 342 S CA -0.138 58.095 58.200 0.055 0.000 0.921 342 S CB -0.473 62.767 63.200 0.068 0.000 0.789 342 S HN 0.297 nan 8.310 nan 0.000 0.497 343 K N 0.907 121.248 120.400 -0.099 0.000 3.156 343 K HA -0.191 4.139 4.320 0.017 0.000 0.266 343 K C 0.949 177.529 176.600 -0.034 0.000 0.966 343 K CA 0.302 56.527 56.287 -0.105 0.000 0.719 343 K CB -2.260 30.184 32.500 -0.094 0.000 1.333 343 K HN 0.966 nan 8.250 nan 0.000 0.468 344 G N -0.253 108.541 108.800 -0.011 0.000 2.184 344 G HA2 -0.365 3.605 3.960 0.017 0.000 0.264 344 G HA3 -0.365 3.605 3.960 0.017 0.000 0.264 344 G C 0.786 175.699 174.900 0.022 0.000 0.975 344 G CA 0.628 45.740 45.100 0.020 0.000 0.642 344 G HN 0.393 nan 8.290 nan 0.000 0.536 345 Q N -0.591 119.218 119.800 0.014 0.000 2.245 345 Q HA 0.267 4.617 4.340 0.017 0.000 0.201 345 Q C 1.530 177.535 176.000 0.009 0.000 0.955 345 Q CA 0.851 56.661 55.803 0.013 0.000 0.870 345 Q CB 0.186 28.931 28.738 0.010 0.000 0.945 345 Q HN 0.667 nan 8.270 nan 0.000 0.461 346 L N 0.833 122.065 121.223 0.015 0.000 2.334 346 L HA 0.410 4.760 4.340 0.017 0.000 0.273 346 L C -0.215 176.654 176.870 -0.002 0.000 1.013 346 L CA -0.603 54.237 54.840 -0.000 0.000 0.816 346 L CB 1.770 43.842 42.059 0.022 0.000 1.278 346 L HN -0.255 nan 8.230 nan 0.000 0.431 347 K N 1.634 121.990 120.400 -0.073 0.000 2.270 347 K HA 0.672 5.002 4.320 0.017 0.000 0.255 347 K C -0.658 175.896 176.600 -0.077 0.000 0.936 347 K CA -0.681 55.559 56.287 -0.078 0.000 0.809 347 K CB 2.244 34.574 32.500 -0.284 0.000 1.131 347 K HN 0.646 nan 8.250 nan 0.000 0.427 348 A N 4.161 127.009 122.820 0.048 0.000 2.409 348 A HA 0.366 4.697 4.320 0.017 0.000 0.267 348 A C -0.316 177.115 177.584 -0.254 0.000 1.127 348 A CA -0.361 51.669 52.037 -0.012 0.000 0.795 348 A CB -0.061 18.904 19.000 -0.057 0.000 1.061 348 A HN 0.643 nan 8.150 nan 0.000 0.502 349 L N 1.971 122.916 121.223 -0.462 0.000 2.331 349 L HA 0.730 5.080 4.340 0.017 0.000 0.275 349 L C -0.892 175.453 176.870 -0.876 0.000 1.022 349 L CA -0.421 54.100 54.840 -0.533 0.000 0.812 349 L CB 1.525 43.327 42.059 -0.427 0.000 1.257 349 L HN 0.698 nan 8.230 nan 0.000 0.435 350 F N 1.415 121.191 119.950 -0.289 0.000 2.620 350 F HA 0.667 5.204 4.527 0.017 0.000 0.320 350 F C -0.467 175.080 175.800 -0.422 0.000 1.069 350 F CA -0.749 57.006 58.000 -0.408 0.000 0.953 350 F CB 1.751 40.317 39.000 -0.724 0.000 1.322 350 F HN 0.100 nan 8.300 nan 0.000 0.479 351 L N 1.441 122.717 121.223 0.088 0.000 2.386 351 L HA 0.449 4.799 4.340 0.017 0.000 0.271 351 L C 0.870 177.956 176.870 0.361 0.000 0.993 351 L CA -0.810 54.191 54.840 0.268 0.000 0.819 351 L CB 1.952 44.259 42.059 0.414 0.000 1.294 351 L HN 0.607 nan 8.230 nan 0.000 0.414 352 E N 0.526 120.965 120.200 0.399 0.000 2.118 352 E HA -0.200 4.160 4.350 0.017 0.000 0.195 352 E C 0.840 177.346 176.600 -0.156 0.000 0.992 352 E CA 1.669 58.193 56.400 0.207 0.000 0.804 352 E CB 0.009 29.821 29.700 0.187 0.000 0.741 352 E HN 0.570 nan 8.360 nan 0.000 0.458 353 H N 0.365 119.301 119.070 -0.222 0.000 2.567 353 H HA 0.095 4.662 4.556 0.017 0.000 0.294 353 H C 0.317 175.134 175.328 -0.853 0.000 1.050 353 H CA -0.156 55.562 56.048 -0.549 0.000 1.168 353 H CB 0.014 29.387 29.762 -0.647 0.000 1.422 353 H HN -0.042 nan 8.280 nan 0.000 0.562 354 E N 0.642 120.601 120.200 -0.403 0.000 2.452 354 E HA 0.041 4.401 4.350 0.017 0.000 0.261 354 E C 1.192 177.611 176.600 -0.302 0.000 0.987 354 E CA 1.060 57.269 56.400 -0.320 0.000 0.926 354 E CB 0.434 30.182 29.700 0.080 0.000 0.934 354 E HN 0.699 nan 8.360 nan 0.000 0.452 355 G N 4.383 113.003 108.800 -0.300 0.000 2.284 355 G HA2 -0.309 3.661 3.960 0.017 0.000 0.216 355 G HA3 -0.309 3.661 3.960 0.017 0.000 0.216 355 G C 0.678 175.299 174.900 -0.465 0.000 1.009 355 G CA 0.262 45.174 45.100 -0.315 0.000 0.625 355 G HN 0.554 nan 8.290 nan 0.000 0.501 356 Y N 0.190 120.290 120.300 -0.334 0.000 2.467 356 Y HA 0.466 5.027 4.550 0.017 0.000 0.250 356 Y C 2.109 177.988 175.900 -0.034 0.000 1.155 356 Y CA -0.326 57.692 58.100 -0.137 0.000 1.249 356 Y CB 0.127 38.540 38.460 -0.077 0.000 1.146 356 Y HN 0.210 nan 8.280 nan 0.000 0.524 357 F N -0.337 119.717 119.950 0.172 0.000 2.171 357 F HA -0.075 4.463 4.527 0.017 0.000 0.300 357 F C 2.395 178.251 175.800 0.093 0.000 1.090 357 F CA 1.240 59.316 58.000 0.126 0.000 1.293 357 F CB -1.154 37.883 39.000 0.061 0.000 1.013 357 F HN 0.060 nan 8.300 nan 0.000 0.486 358 G N -0.337 108.596 108.800 0.221 0.000 2.421 358 G HA2 -0.187 3.784 3.960 0.017 0.000 0.216 358 G HA3 -0.187 3.784 3.960 0.017 0.000 0.216 358 G C 1.944 176.916 174.900 0.121 0.000 1.171 358 G CA 1.003 46.175 45.100 0.122 0.000 0.775 358 G HN 0.461 nan 8.290 nan 0.000 0.543 359 A N 0.124 123.036 122.820 0.154 0.000 1.877 359 A HA 0.038 4.368 4.320 0.017 0.000 0.216 359 A C 2.619 180.324 177.584 0.202 0.000 1.186 359 A CA 1.973 54.123 52.037 0.188 0.000 0.620 359 A CB -0.741 18.433 19.000 0.291 0.000 0.822 359 A HN 0.278 nan 8.150 nan 0.000 0.443 360 V N -0.037 120.036 119.914 0.265 0.000 2.343 360 V HA -0.177 3.954 4.120 0.017 0.000 0.247 360 V C 2.810 178.963 176.094 0.099 0.000 1.051 360 V CA 1.916 64.346 62.300 0.216 0.000 1.036 360 V CB -1.469 30.561 31.823 0.346 0.000 0.654 360 V HN 0.627 nan 8.190 nan 0.000 0.451 361 G N -0.339 108.529 108.800 0.113 0.000 2.442 361 G HA2 -0.219 3.751 3.960 0.017 0.000 0.219 361 G HA3 -0.219 3.751 3.960 0.017 0.000 0.219 361 G C 1.747 176.651 174.900 0.007 0.000 1.141 361 G CA 1.043 46.169 45.100 0.043 0.000 0.763 361 G HN 0.612 nan 8.290 nan 0.000 0.554 362 A N 0.317 123.151 122.820 0.024 0.000 1.930 362 A HA 0.138 4.468 4.320 0.017 0.000 0.217 362 A C 2.349 179.919 177.584 -0.024 0.000 1.175 362 A CA 1.344 53.376 52.037 -0.008 0.000 0.627 362 A CB -0.354 18.656 19.000 0.017 0.000 0.815 362 A HN 0.404 nan 8.150 nan 0.000 0.443 363 L N -0.589 120.641 121.223 0.011 0.000 2.056 363 L HA -0.092 4.258 4.340 0.017 0.000 0.207 363 L C 2.321 179.174 176.870 -0.028 0.000 1.078 363 L CA 1.143 55.985 54.840 0.003 0.000 0.749 363 L CB -0.198 41.895 42.059 0.058 0.000 0.901 363 L HN 0.405 nan 8.230 nan 0.000 0.433 364 L N -0.244 120.935 121.223 -0.072 0.000 2.093 364 L HA -0.026 4.324 4.340 0.017 0.000 0.208 364 L C 1.668 178.540 176.870 0.003 0.000 1.085 364 L CA 0.569 55.371 54.840 -0.064 0.000 0.755 364 L CB -1.102 40.842 42.059 -0.191 0.000 0.904 364 L HN 0.328 nan 8.230 nan 0.000 0.435 365 G N 0.000 108.771 108.800 -0.049 0.000 5.446 365 G HA2 0.000 3.970 3.960 0.017 0.000 0.244 365 G HA3 0.000 3.970 3.960 0.017 0.000 0.244 365 G CA 0.000 45.058 45.100 -0.070 0.000 0.502 365 G HN 0.000 nan 8.290 nan 0.000 0.925