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 1juj_1_A DATA FIRST_RESID 28 DATA SEQUENCE HGELQYLGQI QHILRCGVEK DDRTGTGTLS VFGMQARYSL RDEFPLLTTK DATA SEQUENCE RVFWKGVLEE LLWFIKGSTN AKELSSKGVK IWDANGSRDF LDSLGFSTRE DATA SEQUENCE EGDLGPVYGF QWRHFGAEYR DMESDYSGQG VDQLQRVIDT IKTNPDDRRI DATA SEQUENCE IMCAWNPRDL PLMALPPCHA LCQFYVVNSE LSCQLYQRSG DMGLGVPFNI DATA SEQUENCE ASYALLTYMI AHITGLKPGD FIHTLGDAHI YLNHIEPLKI QLQREPRPFP DATA SEQUENCE KLRILRKVEK IDDFKAEDFQ IEGYNPHPTI KMEMAV 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 28 H HA 0.000 nan 4.556 nan 0.000 0.296 28 H C 0.000 175.358 175.328 0.050 0.000 0.993 28 H CA 0.000 56.050 56.048 0.003 0.000 1.023 28 H CB 0.000 29.723 29.762 -0.065 0.000 1.292 29 G N -0.298 108.171 108.800 -0.551 0.000 2.762 29 G HA2 -0.035 3.925 3.960 -0.001 0.000 0.209 29 G HA3 -0.035 3.925 3.960 -0.001 0.000 0.209 29 G C 0.884 175.736 174.900 -0.079 0.000 1.134 29 G CA 0.477 45.482 45.100 -0.158 0.000 0.781 29 G HN 0.597 nan 8.290 nan 0.000 0.528 30 E N 0.189 120.117 120.200 -0.454 0.000 2.472 30 E HA 0.076 4.425 4.350 -0.001 0.000 0.200 30 E C 2.051 178.758 176.600 0.178 0.000 1.046 30 E CA 0.023 56.439 56.400 0.027 0.000 0.871 30 E CB -0.106 29.560 29.700 -0.057 0.000 0.806 30 E HN 0.405 nan 8.360 nan 0.000 0.533 31 L N 0.234 121.515 121.223 0.097 0.000 2.156 31 L HA -0.167 4.173 4.340 -0.001 0.000 0.208 31 L C 2.510 179.432 176.870 0.086 0.000 1.095 31 L CA 0.945 55.848 54.840 0.105 0.000 0.770 31 L CB -0.321 41.781 42.059 0.071 0.000 0.914 31 L HN 0.230 nan 8.230 nan 0.000 0.439 32 Q N -0.754 119.077 119.800 0.052 0.000 2.020 32 Q HA -0.273 4.066 4.340 -0.001 0.000 0.202 32 Q C 2.116 178.180 176.000 0.105 0.000 0.982 32 Q CA 2.227 58.033 55.803 0.005 0.000 0.838 32 Q CB -0.340 28.306 28.738 -0.154 0.000 0.899 32 Q HN 0.466 nan 8.270 nan 0.000 0.423 33 Y N 1.306 121.695 120.300 0.147 0.000 2.070 33 Y HA -0.294 4.256 4.550 -0.001 0.000 0.280 33 Y C 1.924 177.899 175.900 0.124 0.000 1.148 33 Y CA 1.669 59.891 58.100 0.202 0.000 1.125 33 Y CB -0.451 38.177 38.460 0.279 0.000 0.975 33 Y HN 0.015 nan 8.280 nan 0.000 0.492 34 L N 0.213 121.535 121.223 0.165 0.000 1.997 34 L HA -0.296 4.044 4.340 -0.001 0.000 0.216 34 L C 2.800 179.638 176.870 -0.054 0.000 1.074 34 L CA 1.706 56.568 54.840 0.036 0.000 0.763 34 L CB -1.404 40.736 42.059 0.135 0.000 0.890 34 L HN 0.514 nan 8.230 nan 0.000 0.434 35 G N -1.232 107.564 108.800 -0.008 0.000 2.440 35 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.218 35 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.218 35 G C 1.472 176.355 174.900 -0.029 0.000 1.154 35 G CA 0.631 45.724 45.100 -0.012 0.000 0.767 35 G HN 0.443 nan 8.290 nan 0.000 0.552 36 Q N -0.391 119.365 119.800 -0.074 0.000 2.181 36 Q HA 0.011 4.351 4.340 -0.001 0.000 0.205 36 Q C 2.538 178.500 176.000 -0.064 0.000 0.980 36 Q CA 0.818 56.580 55.803 -0.068 0.000 0.862 36 Q CB -0.145 28.541 28.738 -0.086 0.000 0.905 36 Q HN 0.533 nan 8.270 nan 0.000 0.429 37 I N 0.091 120.562 120.570 -0.166 0.000 2.286 37 I HA -0.264 3.906 4.170 -0.001 0.000 0.245 37 I C 2.511 178.605 176.117 -0.038 0.000 1.104 37 I CA 0.930 62.146 61.300 -0.139 0.000 1.397 37 I CB -0.039 37.821 38.000 -0.233 0.000 1.072 37 I HN 0.240 nan 8.210 nan 0.000 0.417 38 Q N 0.177 119.967 119.800 -0.017 0.000 2.135 38 Q HA -0.289 4.050 4.340 -0.001 0.000 0.204 38 Q C 2.249 178.280 176.000 0.050 0.000 0.981 38 Q CA 1.731 57.546 55.803 0.019 0.000 0.856 38 Q CB -0.180 28.574 28.738 0.026 0.000 0.902 38 Q HN 0.522 nan 8.270 nan 0.000 0.425 39 H N -0.171 118.876 119.070 -0.038 0.000 2.294 39 H HA -0.033 4.522 4.556 -0.001 0.000 0.306 39 H C 1.886 177.200 175.328 -0.023 0.000 1.065 39 H CA 1.566 57.596 56.048 -0.029 0.000 1.343 39 H CB -0.040 29.701 29.762 -0.035 0.000 1.396 39 H HN 0.332 nan 8.280 nan 0.000 0.506 40 I N 1.206 121.795 120.570 0.031 0.000 2.623 40 I HA -0.272 3.898 4.170 -0.001 0.000 0.261 40 I C 2.118 178.198 176.117 -0.062 0.000 1.204 40 I CA 0.720 62.001 61.300 -0.031 0.000 1.444 40 I CB -0.119 37.888 38.000 0.013 0.000 1.094 40 I HN 0.286 nan 8.210 nan 0.000 0.451 41 L N -0.284 120.908 121.223 -0.052 0.000 2.354 41 L HA 0.058 4.397 4.340 -0.001 0.000 0.212 41 L C 2.160 178.995 176.870 -0.058 0.000 1.091 41 L CA 0.539 55.357 54.840 -0.037 0.000 0.828 41 L CB -0.118 41.935 42.059 -0.009 0.000 0.973 41 L HN 0.116 nan 8.230 nan 0.000 0.461 42 R N -1.763 118.682 120.500 -0.091 0.000 2.397 42 R HA 0.191 4.531 4.340 -0.001 0.000 0.241 42 R C 0.654 176.870 176.300 -0.140 0.000 0.914 42 R CA 0.035 56.083 56.100 -0.087 0.000 1.071 42 R CB 0.572 30.842 30.300 -0.051 0.000 1.116 42 R HN 0.267 nan 8.270 nan 0.000 0.524 43 C N -0.873 118.285 119.300 -0.238 0.000 4.150 43 C HA 0.228 4.688 4.460 -0.001 0.000 0.330 43 C C 1.204 176.064 174.990 -0.217 0.000 1.905 43 C CA -0.740 58.122 59.018 -0.260 0.000 1.724 43 C CB 0.168 27.657 27.740 -0.418 0.000 3.096 43 C HN 0.514 nan 8.230 nan 0.000 0.601 44 G N 0.873 109.566 108.800 -0.177 0.000 2.683 44 G HA2 0.478 4.438 3.960 -0.001 0.000 0.260 44 G HA3 0.478 4.438 3.960 -0.001 0.000 0.260 44 G C -0.652 174.216 174.900 -0.053 0.000 1.238 44 G CA 0.314 45.359 45.100 -0.091 0.000 0.934 44 G HN 0.173 nan 8.290 nan 0.000 0.534 45 V N -0.048 119.851 119.914 -0.026 0.000 2.876 45 V HA 0.279 4.398 4.120 -0.001 0.000 0.312 45 V C -0.150 175.933 176.094 -0.018 0.000 1.085 45 V CA -0.885 61.403 62.300 -0.021 0.000 0.945 45 V CB 2.025 33.839 31.823 -0.015 0.000 1.017 45 V HN 0.816 nan 8.190 nan 0.000 0.428 46 E N 3.199 123.388 120.200 -0.017 0.000 2.414 46 E HA 0.301 4.650 4.350 -0.001 0.000 0.263 46 E C -0.664 175.923 176.600 -0.022 0.000 1.000 46 E CA 0.141 56.531 56.400 -0.017 0.000 0.914 46 E CB 0.965 30.658 29.700 -0.012 0.000 0.948 46 E HN 0.402 nan 8.360 nan 0.000 0.444 47 K N 1.641 122.024 120.400 -0.029 0.000 2.533 47 K HA 0.293 4.613 4.320 -0.001 0.000 0.272 47 K C -1.327 175.249 176.600 -0.040 0.000 0.985 47 K CA -0.768 55.495 56.287 -0.039 0.000 0.876 47 K CB 1.941 34.408 32.500 -0.055 0.000 1.452 47 K HN 0.335 nan 8.250 nan 0.000 0.439 48 D N 0.439 120.817 120.400 -0.037 0.000 2.384 48 D HA 0.359 4.999 4.640 -0.001 0.000 0.250 48 D C -1.171 175.108 176.300 -0.035 0.000 1.029 48 D CA 0.108 54.094 54.000 -0.023 0.000 0.990 48 D CB 1.179 41.972 40.800 -0.011 0.000 1.175 48 D HN 0.500 nan 8.370 nan 0.000 0.532 49 D N -1.880 118.517 120.400 -0.006 0.000 2.665 49 D HA 0.116 4.755 4.640 -0.001 0.000 0.287 49 D C 0.417 176.742 176.300 0.042 0.000 1.266 49 D CA -0.609 53.393 54.000 0.003 0.000 0.830 49 D CB 1.009 41.807 40.800 -0.003 0.000 1.356 49 D HN 0.447 nan 8.370 nan 0.000 0.437 50 R N -0.603 119.933 120.500 0.059 0.000 2.105 50 R HA -0.138 4.202 4.340 -0.001 0.000 0.239 50 R C 1.867 178.210 176.300 0.072 0.000 1.135 50 R CA 2.248 58.387 56.100 0.064 0.000 0.967 50 R CB -1.393 28.956 30.300 0.082 0.000 0.861 50 R HN 0.604 nan 8.270 nan 0.000 0.442 51 T N -2.685 111.934 114.554 0.107 0.000 2.962 51 T HA 0.063 4.413 4.350 -0.001 0.000 0.270 51 T C 1.705 176.443 174.700 0.063 0.000 1.088 51 T CA 1.030 63.185 62.100 0.091 0.000 1.127 51 T CB -0.169 68.754 68.868 0.093 0.000 0.883 51 T HN 0.600 nan 8.240 nan 0.000 0.493 52 G N 0.595 109.434 108.800 0.064 0.000 2.225 52 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.254 52 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.254 52 G C 0.396 175.327 174.900 0.052 0.000 0.988 52 G CA 0.419 45.545 45.100 0.043 0.000 0.625 52 G HN 0.817 nan 8.290 nan 0.000 0.527 53 T N 0.582 115.185 114.554 0.081 0.000 2.698 53 T HA 0.546 4.896 4.350 -0.001 0.000 0.295 53 T C 1.436 176.203 174.700 0.112 0.000 1.007 53 T CA 0.256 62.413 62.100 0.096 0.000 0.980 53 T CB 1.074 70.016 68.868 0.123 0.000 1.036 53 T HN 1.023 nan 8.240 nan 0.000 0.526 54 G N -0.897 107.968 108.800 0.109 0.000 2.509 54 G HA2 0.549 4.509 3.960 -0.001 0.000 0.269 54 G HA3 0.549 4.509 3.960 -0.001 0.000 0.269 54 G C -0.337 174.590 174.900 0.046 0.000 1.416 54 G CA -0.147 44.992 45.100 0.065 0.000 1.052 54 G HN 0.980 nan 8.290 nan 0.000 0.542 55 T N -1.929 112.617 114.554 -0.013 0.000 3.542 55 T HA 0.291 4.641 4.350 -0.001 0.000 0.433 55 T C -2.078 172.593 174.700 -0.048 0.000 1.572 55 T CA -0.685 61.364 62.100 -0.085 0.000 1.107 55 T CB 0.443 69.182 68.868 -0.215 0.000 1.511 55 T HN 0.413 nan 8.240 nan 0.000 0.456 56 L N 4.489 125.696 121.223 -0.026 0.000 2.307 56 L HA 0.868 5.207 4.340 -0.001 0.000 0.284 56 L C 0.445 177.322 176.870 0.012 0.000 1.023 56 L CA 0.074 54.909 54.840 -0.009 0.000 0.810 56 L CB 1.509 43.566 42.059 -0.004 0.000 1.231 56 L HN 0.932 nan 8.230 nan 0.000 0.423 57 S N 2.996 118.706 115.700 0.016 0.000 2.667 57 S HA 0.969 5.438 4.470 -0.001 0.000 0.292 57 S C -1.118 173.520 174.600 0.063 0.000 1.126 57 S CA -0.585 57.650 58.200 0.058 0.000 0.881 57 S CB 2.122 65.358 63.200 0.061 0.000 1.132 57 S HN 0.229 nan 8.310 nan 0.000 0.492 58 V N 1.546 121.524 119.914 0.106 0.000 3.012 58 V HA 0.603 4.723 4.120 -0.001 0.000 0.307 58 V C -1.662 174.545 176.094 0.188 0.000 1.166 58 V CA -0.707 61.672 62.300 0.132 0.000 0.974 58 V CB 1.929 33.833 31.823 0.135 0.000 1.040 58 V HN 0.922 nan 8.190 nan 0.000 0.428 59 F N 2.724 122.690 119.950 0.027 0.000 2.444 59 F HA 0.775 5.302 4.527 -0.001 0.000 0.342 59 F C 0.508 176.312 175.800 0.007 0.000 1.121 59 F CA 0.295 58.304 58.000 0.014 0.000 0.997 59 F CB 1.473 40.481 39.000 0.013 0.000 1.130 59 F HN 0.921 nan 8.300 nan 0.000 0.454 60 G N 6.467 114.873 108.800 -0.656 0.000 3.429 60 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.605 60 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.605 60 G C -1.175 173.582 174.900 -0.239 0.000 0.973 60 G CA -0.073 44.741 45.100 -0.476 0.000 0.774 60 G HN 0.871 nan 8.290 nan 0.000 0.422 61 M N 1.361 120.814 119.600 -0.244 0.000 2.520 61 M HA 0.701 5.181 4.480 -0.001 0.000 0.283 61 M C -0.834 175.342 176.300 -0.206 0.000 1.237 61 M CA -0.794 54.390 55.300 -0.193 0.000 0.885 61 M CB 2.404 34.904 32.600 -0.167 0.000 1.727 61 M HN 0.694 nan 8.290 nan 0.000 0.468 62 Q N 2.060 121.755 119.800 -0.175 0.000 2.263 62 Q HA 0.773 5.113 4.340 -0.001 0.000 0.262 62 Q C -2.222 173.690 176.000 -0.147 0.000 0.984 62 Q CA -0.505 55.197 55.803 -0.168 0.000 0.813 62 Q CB 2.291 30.938 28.738 -0.152 0.000 1.299 62 Q HN 0.813 nan 8.270 nan 0.000 0.428 63 A N 3.587 126.332 122.820 -0.125 0.000 2.384 63 A HA 0.862 5.182 4.320 -0.001 0.000 0.312 63 A C -1.337 176.112 177.584 -0.224 0.000 1.113 63 A CA -0.738 51.197 52.037 -0.169 0.000 0.779 63 A CB 1.769 20.715 19.000 -0.090 0.000 1.307 63 A HN 0.723 nan 8.150 nan 0.000 0.436 64 R N 1.363 121.646 120.500 -0.362 0.000 2.473 64 R HA 0.510 4.849 4.340 -0.001 0.000 0.303 64 R C -2.095 174.006 176.300 -0.333 0.000 1.002 64 R CA -0.301 55.641 56.100 -0.262 0.000 0.884 64 R CB 0.766 30.967 30.300 -0.164 0.000 1.173 64 R HN 0.699 nan 8.270 nan 0.000 0.464 65 Y N 1.362 121.658 120.300 -0.007 0.000 2.342 65 Y HA 0.267 4.817 4.550 -0.001 0.000 0.334 65 Y C 0.706 176.640 175.900 0.057 0.000 1.067 65 Y CA -0.487 57.642 58.100 0.048 0.000 1.128 65 Y CB 2.074 40.585 38.460 0.086 0.000 1.200 65 Y HN 0.467 nan 8.280 nan 0.000 0.464 66 S N 2.806 118.599 115.700 0.156 0.000 2.499 66 S HA 0.251 4.721 4.470 -0.001 0.000 0.275 66 S C 0.186 174.858 174.600 0.121 0.000 1.257 66 S CA -0.550 57.723 58.200 0.122 0.000 1.050 66 S CB 0.291 63.550 63.200 0.097 0.000 0.937 66 S HN 0.634 nan 8.310 nan 0.000 0.490 67 L N 4.612 125.912 121.223 0.128 0.000 2.640 67 L HA 0.357 4.697 4.340 -0.001 0.000 0.230 67 L C 1.103 178.063 176.870 0.149 0.000 1.123 67 L CA 0.466 55.398 54.840 0.154 0.000 0.900 67 L CB -0.322 41.833 42.059 0.160 0.000 1.146 67 L HN 0.621 nan 8.230 nan 0.000 0.484 68 R N 1.016 121.581 120.500 0.108 0.000 2.309 68 R HA 0.145 4.485 4.340 -0.001 0.000 0.331 68 R C -0.467 175.909 176.300 0.127 0.000 1.116 68 R CA -0.168 55.987 56.100 0.093 0.000 0.970 68 R CB -0.363 29.979 30.300 0.070 0.000 1.024 68 R HN 0.110 nan 8.270 nan 0.000 0.472 69 D N 2.086 122.581 120.400 0.157 0.000 2.718 69 D HA -0.193 4.447 4.640 -0.001 0.000 0.242 69 D C -0.823 175.584 176.300 0.179 0.000 1.123 69 D CA 1.808 55.906 54.000 0.163 0.000 0.690 69 D CB -0.700 40.169 40.800 0.116 0.000 1.059 69 D HN 0.816 nan 8.370 nan 0.000 0.429 70 E N -1.528 118.807 120.200 0.225 0.000 2.412 70 E HA 0.339 4.688 4.350 -0.001 0.000 0.283 70 E C -1.590 175.096 176.600 0.142 0.000 1.160 70 E CA -1.014 55.495 56.400 0.181 0.000 0.918 70 E CB 0.305 30.124 29.700 0.198 0.000 1.194 70 E HN -0.018 nan 8.360 nan 0.000 0.428 71 F N 2.112 121.944 119.950 -0.197 0.000 2.467 71 F HA 0.494 5.020 4.527 -0.001 0.000 0.336 71 F C -2.345 173.037 175.800 -0.696 0.000 1.123 71 F CA -2.523 55.239 58.000 -0.397 0.000 0.964 71 F CB 2.305 41.029 39.000 -0.460 0.000 1.136 71 F HN 0.230 nan 8.300 nan 0.000 0.447 72 P HA 0.089 nan 4.420 nan 0.000 0.231 72 P C -0.891 175.916 177.300 -0.822 0.000 1.756 72 P CA 0.243 62.439 63.100 -1.506 0.000 0.990 72 P CB -0.118 30.938 31.700 -1.073 0.000 1.973 73 L N 2.342 123.351 121.223 -0.356 0.000 2.287 73 L HA 0.236 4.575 4.340 -0.001 0.000 0.280 73 L C -0.021 177.000 176.870 0.252 0.000 1.055 73 L CA -0.615 54.172 54.840 -0.089 0.000 0.863 73 L CB -0.129 41.783 42.059 -0.244 0.000 1.245 73 L HN 0.068 nan 8.230 nan 0.000 0.432 74 L N 3.308 124.661 121.223 0.217 0.000 2.654 74 L HA -0.142 4.198 4.340 -0.001 0.000 0.309 74 L C 1.420 178.446 176.870 0.260 0.000 1.267 74 L CA 1.232 56.195 54.840 0.205 0.000 0.866 74 L CB 0.113 42.154 42.059 -0.030 0.000 1.108 74 L HN 0.833 nan 8.230 nan 0.000 0.516 75 T N -4.905 109.723 114.554 0.123 0.000 2.964 75 T HA -0.039 4.310 4.350 -0.001 0.000 0.249 75 T C 1.385 176.016 174.700 -0.115 0.000 1.000 75 T CA 0.346 62.486 62.100 0.066 0.000 0.992 75 T CB -0.072 68.779 68.868 -0.027 0.000 1.087 75 T HN 0.711 nan 8.240 nan 0.000 0.489 76 T N -0.107 114.349 114.554 -0.163 0.000 3.155 76 T HA 0.196 4.545 4.350 -0.001 0.000 0.264 76 T C 0.358 175.026 174.700 -0.053 0.000 1.160 76 T CA 0.180 62.125 62.100 -0.258 0.000 1.075 76 T CB -0.316 68.480 68.868 -0.119 0.000 0.921 76 T HN 0.636 nan 8.240 nan 0.000 0.533 77 K N 0.101 120.507 120.400 0.010 0.000 2.575 77 K HA 0.397 4.716 4.320 -0.001 0.000 0.279 77 K C -1.710 174.940 176.600 0.082 0.000 0.969 77 K CA -0.989 55.334 56.287 0.061 0.000 0.868 77 K CB 1.929 34.470 32.500 0.069 0.000 1.457 77 K HN 0.006 nan 8.250 nan 0.000 0.426 78 R N 2.610 123.158 120.500 0.080 0.000 2.229 78 R HA 0.348 4.688 4.340 -0.001 0.000 0.328 78 R C -1.025 175.393 176.300 0.198 0.000 1.009 78 R CA -0.501 55.661 56.100 0.104 0.000 0.864 78 R CB 1.044 31.364 30.300 0.033 0.000 1.085 78 R HN 0.328 nan 8.270 nan 0.000 0.453 79 V N 6.078 126.180 119.914 0.314 0.000 2.481 79 V HA 0.159 4.279 4.120 -0.001 0.000 0.286 79 V C 0.322 176.607 176.094 0.319 0.000 1.042 79 V CA -0.513 61.944 62.300 0.262 0.000 0.928 79 V CB 1.414 33.324 31.823 0.145 0.000 0.986 79 V HN 0.742 nan 8.190 nan 0.000 0.462 80 F N 4.198 124.196 119.950 0.079 0.000 2.677 80 F HA 0.008 4.534 4.527 -0.000 0.000 0.358 80 F C 1.114 176.830 175.800 -0.139 0.000 1.266 80 F CA -0.520 57.507 58.000 0.046 0.000 1.262 80 F CB -0.058 39.050 39.000 0.181 0.000 1.684 80 F HN 0.892 nan 8.300 nan 0.000 0.671 81 W N 4.026 125.276 121.300 -0.083 0.000 2.341 81 W HA -0.243 4.416 4.660 -0.001 0.000 0.283 81 W C 1.885 178.152 176.519 -0.419 0.000 1.215 81 W CA 1.269 58.435 57.345 -0.299 0.000 1.211 81 W CB -0.060 29.282 29.460 -0.198 0.000 1.131 81 W HN 0.206 nan 8.180 nan 0.000 0.552 82 K N 0.089 120.093 120.400 -0.661 0.000 2.032 82 K HA -0.123 4.197 4.320 -0.001 0.000 0.209 82 K C 2.249 178.191 176.600 -1.096 0.000 1.048 82 K CA 1.841 57.562 56.287 -0.945 0.000 0.927 82 K CB -1.304 30.880 32.500 -0.526 0.000 0.712 82 K HN 0.369 nan 8.250 nan 0.000 0.441 83 G N 0.687 108.592 108.800 -1.491 0.000 2.408 83 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.217 83 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.217 83 G C 1.713 176.262 174.900 -0.584 0.000 1.150 83 G CA 0.861 45.408 45.100 -0.921 0.000 0.776 83 G HN 0.134 nan 8.290 nan 0.000 0.542 84 V N 1.135 120.575 119.914 -0.789 0.000 2.214 84 V HA -0.229 3.891 4.120 -0.001 0.000 0.247 84 V C 2.682 178.438 176.094 -0.564 0.000 1.051 84 V CA 1.975 63.883 62.300 -0.653 0.000 1.003 84 V CB -0.821 30.620 31.823 -0.637 0.000 0.635 84 V HN 0.400 nan 8.190 nan 0.000 0.447 85 L N -0.335 120.436 121.223 -0.753 0.000 2.043 85 L HA -0.211 4.129 4.340 -0.001 0.000 0.212 85 L C 2.747 179.301 176.870 -0.527 0.000 1.075 85 L CA 1.860 56.276 54.840 -0.708 0.000 0.752 85 L CB -0.412 41.048 42.059 -0.998 0.000 0.891 85 L HN 0.342 nan 8.230 nan 0.000 0.432 86 E N -0.096 119.794 120.200 -0.518 0.000 2.077 86 E HA -0.286 4.064 4.350 -0.001 0.000 0.193 86 E C 1.964 178.398 176.600 -0.277 0.000 0.989 86 E CA 1.451 57.636 56.400 -0.358 0.000 0.800 86 E CB -0.179 29.303 29.700 -0.364 0.000 0.746 86 E HN 0.637 nan 8.360 nan 0.000 0.452 87 E N 0.721 120.716 120.200 -0.342 0.000 2.051 87 E HA -0.165 4.185 4.350 -0.001 0.000 0.192 87 E C 2.325 178.585 176.600 -0.567 0.000 0.991 87 E CA 0.683 56.851 56.400 -0.386 0.000 0.799 87 E CB -0.124 29.352 29.700 -0.372 0.000 0.748 87 E HN 0.179 nan 8.360 nan 0.000 0.449 88 L N 0.417 121.359 121.223 -0.469 0.000 2.046 88 L HA -0.192 4.147 4.340 -0.001 0.000 0.208 88 L C 2.350 179.131 176.870 -0.149 0.000 1.077 88 L CA 0.714 55.362 54.840 -0.319 0.000 0.747 88 L CB -0.131 41.781 42.059 -0.246 0.000 0.896 88 L HN 0.246 nan 8.230 nan 0.000 0.432 89 L N -0.997 120.137 121.223 -0.149 0.000 2.083 89 L HA -0.243 4.096 4.340 -0.001 0.000 0.209 89 L C 2.082 178.980 176.870 0.047 0.000 1.083 89 L CA 1.793 56.611 54.840 -0.036 0.000 0.752 89 L CB -1.301 40.727 42.059 -0.051 0.000 0.899 89 L HN 0.496 nan 8.230 nan 0.000 0.433 90 W N -0.641 120.538 121.300 -0.202 0.000 2.363 90 W HA -0.245 4.414 4.660 -0.000 0.000 0.296 90 W C 2.322 178.816 176.519 -0.041 0.000 1.212 90 W CA 1.249 58.502 57.345 -0.154 0.000 1.260 90 W CB -0.321 28.989 29.460 -0.250 0.000 1.131 90 W HN 0.065 nan 8.180 nan 0.000 0.530 91 F N 0.631 120.448 119.950 -0.222 0.000 2.060 91 F HA -0.218 4.309 4.527 -0.001 0.000 0.295 91 F C 2.386 177.988 175.800 -0.330 0.000 1.120 91 F CA 1.053 58.746 58.000 -0.511 0.000 1.205 91 F CB -1.624 36.980 39.000 -0.661 0.000 0.986 91 F HN -0.230 nan 8.300 nan 0.000 0.470 92 I N 0.257 120.903 120.570 0.126 0.000 2.300 92 I HA -0.328 3.842 4.170 -0.001 0.000 0.252 92 I C 2.320 178.485 176.117 0.080 0.000 1.119 92 I CA 1.388 62.792 61.300 0.174 0.000 1.384 92 I CB -1.331 36.782 38.000 0.188 0.000 1.062 92 I HN 0.234 nan 8.210 nan 0.000 0.426 93 K N 0.763 121.175 120.400 0.020 0.000 2.209 93 K HA -0.125 4.195 4.320 -0.001 0.000 0.204 93 K C 1.429 178.017 176.600 -0.019 0.000 1.048 93 K CA 1.241 57.532 56.287 0.007 0.000 0.940 93 K CB -0.054 32.442 32.500 -0.007 0.000 0.729 93 K HN 0.504 nan 8.250 nan 0.000 0.451 94 G N 0.809 109.545 108.800 -0.107 0.000 2.141 94 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.242 94 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.242 94 G C 0.058 174.905 174.900 -0.089 0.000 0.982 94 G CA 0.552 45.609 45.100 -0.072 0.000 0.662 94 G HN 0.430 nan 8.290 nan 0.000 0.527 95 S N -0.457 115.058 115.700 -0.308 0.000 2.593 95 S HA 0.606 5.075 4.470 -0.001 0.000 0.269 95 S C 1.557 175.874 174.600 -0.471 0.000 1.334 95 S CA 1.452 59.466 58.200 -0.311 0.000 1.015 95 S CB 1.074 64.075 63.200 -0.332 0.000 0.912 95 S HN 1.409 nan 8.310 nan 0.000 0.541 96 T N -0.141 114.353 114.554 -0.098 0.000 3.130 96 T HA 0.251 4.600 4.350 -0.001 0.000 0.288 96 T C -0.422 174.431 174.700 0.255 0.000 0.936 96 T CA -0.554 61.539 62.100 -0.011 0.000 0.897 96 T CB -0.374 68.519 68.868 0.041 0.000 1.178 96 T HN 0.545 nan 8.240 nan 0.000 0.543 97 N N 2.511 121.411 118.700 0.334 0.000 2.415 97 N HA 0.434 5.173 4.740 -0.001 0.000 0.250 97 N C 1.207 176.931 175.510 0.357 0.000 1.127 97 N CA 0.300 53.526 53.050 0.294 0.000 0.945 97 N CB 1.438 40.052 38.487 0.212 0.000 1.196 97 N HN 0.423 nan 8.380 nan 0.000 0.499 98 A N 2.610 125.575 122.820 0.241 0.000 2.225 98 A HA -0.168 4.152 4.320 -0.001 0.000 0.215 98 A C 1.999 179.576 177.584 -0.013 0.000 1.164 98 A CA 1.085 53.165 52.037 0.071 0.000 0.710 98 A CB -0.153 18.918 19.000 0.119 0.000 0.780 98 A HN 0.539 nan 8.150 nan 0.000 0.473 99 K N -0.566 119.866 120.400 0.053 0.000 2.044 99 K HA -0.077 4.243 4.320 -0.001 0.000 0.204 99 K C 1.908 178.507 176.600 -0.002 0.000 1.049 99 K CA 1.142 57.443 56.287 0.022 0.000 0.945 99 K CB -0.147 32.382 32.500 0.047 0.000 0.724 99 K HN 0.556 nan 8.250 nan 0.000 0.440 100 E N 0.834 121.072 120.200 0.063 0.000 2.065 100 E HA -0.254 4.096 4.350 -0.001 0.000 0.201 100 E C 1.996 178.550 176.600 -0.077 0.000 1.016 100 E CA 1.328 57.771 56.400 0.072 0.000 0.818 100 E CB -0.109 29.749 29.700 0.263 0.000 0.749 100 E HN 0.086 nan 8.360 nan 0.000 0.453 101 L N 0.441 121.458 121.223 -0.344 0.000 2.141 101 L HA -0.118 4.221 4.340 -0.001 0.000 0.209 101 L C 2.340 179.038 176.870 -0.287 0.000 1.094 101 L CA 1.493 56.009 54.840 -0.540 0.000 0.763 101 L CB -0.360 41.004 42.059 -1.158 0.000 0.908 101 L HN -0.053 nan 8.230 nan 0.000 0.437 102 S N -1.568 114.013 115.700 -0.199 0.000 2.383 102 S HA -0.157 4.313 4.470 -0.001 0.000 0.227 102 S C 2.101 176.660 174.600 -0.068 0.000 1.026 102 S CA 1.411 59.547 58.200 -0.107 0.000 0.981 102 S CB -0.243 62.918 63.200 -0.065 0.000 0.818 102 S HN 0.633 nan 8.310 nan 0.000 0.472 103 S N 1.259 116.924 115.700 -0.058 0.000 2.400 103 S HA -0.025 4.445 4.470 -0.001 0.000 0.232 103 S C 1.751 176.330 174.600 -0.036 0.000 1.025 103 S CA 0.962 59.144 58.200 -0.031 0.000 0.993 103 S CB -0.183 63.010 63.200 -0.012 0.000 0.808 103 S HN 0.427 nan 8.310 nan 0.000 0.478 104 K N 0.305 120.668 120.400 -0.063 0.000 2.418 104 K HA 0.158 4.477 4.320 -0.001 0.000 0.195 104 K C 1.286 177.851 176.600 -0.057 0.000 1.035 104 K CA 0.705 56.952 56.287 -0.066 0.000 1.003 104 K CB -0.162 32.278 32.500 -0.100 0.000 0.793 104 K HN 0.479 nan 8.250 nan 0.000 0.494 105 G N 0.713 109.486 108.800 -0.046 0.000 2.145 105 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.176 105 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.176 105 G C -0.317 174.604 174.900 0.036 0.000 1.013 105 G CA -0.185 44.916 45.100 0.002 0.000 0.689 105 G HN 0.060 nan 8.290 nan 0.000 0.506 106 V N 1.652 121.540 119.914 -0.043 0.000 2.305 106 V HA 0.357 4.476 4.120 -0.001 0.000 0.275 106 V C 1.027 177.088 176.094 -0.054 0.000 1.020 106 V CA -0.762 61.514 62.300 -0.040 0.000 0.811 106 V CB 1.363 33.069 31.823 -0.196 0.000 1.031 106 V HN 0.202 nan 8.190 nan 0.000 0.439 107 K N 3.406 123.814 120.400 0.012 0.000 2.432 107 K HA 0.056 4.376 4.320 -0.001 0.000 0.196 107 K C 1.903 178.460 176.600 -0.072 0.000 1.038 107 K CA 0.722 56.991 56.287 -0.031 0.000 0.986 107 K CB -0.057 32.433 32.500 -0.017 0.000 0.782 107 K HN 0.866 nan 8.250 nan 0.000 0.485 108 I N -2.995 117.522 120.570 -0.088 0.000 2.450 108 I HA -0.245 3.925 4.170 -0.001 0.000 0.260 108 I C 1.063 176.945 176.117 -0.392 0.000 1.145 108 I CA 1.620 62.773 61.300 -0.245 0.000 1.413 108 I CB -0.418 37.407 38.000 -0.292 0.000 1.090 108 I HN 0.060 nan 8.210 nan 0.000 0.445 109 W N 0.906 122.090 121.300 -0.193 0.000 2.862 109 W HA 0.221 4.880 4.660 -0.000 0.000 0.376 109 W C 1.394 177.830 176.519 -0.138 0.000 1.028 109 W CA -0.435 56.813 57.345 -0.162 0.000 1.757 109 W CB 0.261 29.604 29.460 -0.196 0.000 1.128 109 W HN 0.011 nan 8.180 nan 0.000 0.566 110 D N 0.201 120.611 120.400 0.017 0.000 2.269 110 D HA -0.094 4.546 4.640 -0.001 0.000 0.208 110 D C 2.186 178.473 176.300 -0.023 0.000 0.963 110 D CA 1.271 55.276 54.000 0.008 0.000 0.864 110 D CB -0.405 40.385 40.800 -0.016 0.000 0.936 110 D HN 0.125 nan 8.370 nan 0.000 0.505 111 A N 1.276 124.038 122.820 -0.096 0.000 1.858 111 A HA -0.190 4.130 4.320 -0.001 0.000 0.216 111 A C 1.684 179.098 177.584 -0.283 0.000 1.190 111 A CA 1.438 53.380 52.037 -0.158 0.000 0.617 111 A CB -0.680 18.189 19.000 -0.219 0.000 0.827 111 A HN 0.211 nan 8.150 nan 0.000 0.443 112 N N -0.369 118.101 118.700 -0.384 0.000 2.370 112 N HA 0.235 4.974 4.740 -0.001 0.000 0.198 112 N C 1.019 176.458 175.510 -0.120 0.000 1.156 112 N CA 0.680 53.307 53.050 -0.704 0.000 0.839 112 N CB 0.291 38.468 38.487 -0.516 0.000 0.989 112 N HN 0.449 nan 8.380 nan 0.000 0.468 113 G N -0.520 108.294 108.800 0.023 0.000 2.944 113 G HA2 -0.021 3.938 3.960 -0.001 0.000 0.223 113 G HA3 -0.021 3.938 3.960 -0.001 0.000 0.223 113 G C 0.421 175.396 174.900 0.124 0.000 1.071 113 G CA -0.218 44.952 45.100 0.116 0.000 0.806 113 G HN 0.333 nan 8.290 nan 0.000 0.538 114 S N 0.263 116.028 115.700 0.109 0.000 2.563 114 S HA 0.075 4.545 4.470 -0.001 0.000 0.269 114 S C 1.616 176.313 174.600 0.161 0.000 1.364 114 S CA 0.265 58.537 58.200 0.120 0.000 1.010 114 S CB 1.397 64.666 63.200 0.115 0.000 0.877 114 S HN 0.217 nan 8.310 nan 0.000 0.549 115 R N 1.356 121.929 120.500 0.123 0.000 2.081 115 R HA -0.066 4.274 4.340 -0.001 0.000 0.235 115 R C 1.319 177.697 176.300 0.130 0.000 1.131 115 R CA 2.350 58.520 56.100 0.117 0.000 0.960 115 R CB -1.378 28.971 30.300 0.081 0.000 0.856 115 R HN 0.858 nan 8.270 nan 0.000 0.436 116 D N -0.531 119.947 120.400 0.131 0.000 2.077 116 D HA -0.126 4.514 4.640 -0.001 0.000 0.196 116 D C 1.580 177.970 176.300 0.151 0.000 0.986 116 D CA 1.683 55.753 54.000 0.117 0.000 0.829 116 D CB -0.429 40.435 40.800 0.106 0.000 0.983 116 D HN 0.202 nan 8.370 nan 0.000 0.453 117 F N 0.433 120.424 119.950 0.067 0.000 2.154 117 F HA -0.186 4.341 4.527 -0.001 0.000 0.301 117 F C 1.894 177.769 175.800 0.125 0.000 1.087 117 F CA 0.929 58.981 58.000 0.086 0.000 1.274 117 F CB 0.021 39.076 39.000 0.092 0.000 1.009 117 F HN -0.075 nan 8.300 nan 0.000 0.485 118 L N 0.042 121.489 121.223 0.373 0.000 2.109 118 L HA -0.175 4.165 4.340 -0.001 0.000 0.207 118 L C 1.962 178.971 176.870 0.232 0.000 1.086 118 L CA 1.613 56.670 54.840 0.363 0.000 0.760 118 L CB -0.875 41.368 42.059 0.306 0.000 0.910 118 L HN 0.044 nan 8.230 nan 0.000 0.437 119 D N -1.333 119.144 120.400 0.127 0.000 2.183 119 D HA -0.112 4.528 4.640 -0.001 0.000 0.203 119 D C 2.244 178.524 176.300 -0.034 0.000 0.969 119 D CA 1.369 55.401 54.000 0.052 0.000 0.842 119 D CB -0.004 40.821 40.800 0.043 0.000 0.957 119 D HN 0.406 nan 8.370 nan 0.000 0.484 120 S N -0.062 115.594 115.700 -0.073 0.000 2.547 120 S HA -0.038 4.432 4.470 -0.001 0.000 0.235 120 S C 1.719 176.195 174.600 -0.207 0.000 0.980 120 S CA 0.390 58.501 58.200 -0.149 0.000 0.941 120 S CB -0.296 62.775 63.200 -0.214 0.000 0.763 120 S HN 0.250 nan 8.310 nan 0.000 0.532 121 L N 0.433 121.519 121.223 -0.228 0.000 2.808 121 L HA 0.434 4.774 4.340 -0.001 0.000 0.246 121 L C 1.495 177.990 176.870 -0.625 0.000 1.153 121 L CA 0.141 54.749 54.840 -0.387 0.000 0.956 121 L CB -0.241 41.623 42.059 -0.326 0.000 1.270 121 L HN 0.489 nan 8.230 nan 0.000 0.528 122 G N 0.281 108.858 108.800 -0.373 0.000 2.147 122 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.244 122 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.244 122 G C 0.233 174.965 174.900 -0.280 0.000 1.005 122 G CA -0.085 44.827 45.100 -0.313 0.000 0.713 122 G HN 0.401 nan 8.290 nan 0.000 0.515 123 F N 1.601 121.556 119.950 0.009 0.000 2.819 123 F HA 0.220 4.747 4.527 -0.001 0.000 0.294 123 F C 2.107 177.924 175.800 0.030 0.000 1.166 123 F CA 0.126 58.140 58.000 0.024 0.000 1.374 123 F CB 0.579 39.605 39.000 0.043 0.000 0.956 123 F HN 0.265 nan 8.300 nan 0.000 0.509 124 S N -1.454 114.331 115.700 0.141 0.000 2.571 124 S HA -0.174 4.296 4.470 -0.001 0.000 0.245 124 S C 1.581 176.236 174.600 0.091 0.000 0.976 124 S CA 1.216 59.474 58.200 0.096 0.000 0.954 124 S CB -0.929 62.299 63.200 0.046 0.000 0.756 124 S HN 0.511 nan 8.310 nan 0.000 0.535 125 T N -1.773 112.848 114.554 0.111 0.000 3.132 125 T HA 0.360 4.709 4.350 -0.001 0.000 0.274 125 T C 0.356 175.104 174.700 0.081 0.000 1.011 125 T CA -0.745 61.404 62.100 0.081 0.000 0.899 125 T CB 0.120 69.029 68.868 0.069 0.000 1.089 125 T HN 0.229 nan 8.240 nan 0.000 0.543 126 R N 1.115 121.678 120.500 0.104 0.000 2.573 126 R HA 0.545 4.885 4.340 -0.001 0.000 0.272 126 R C -0.445 175.896 176.300 0.068 0.000 1.009 126 R CA -0.636 55.509 56.100 0.076 0.000 1.059 126 R CB 1.122 31.463 30.300 0.068 0.000 1.112 126 R HN 0.439 nan 8.270 nan 0.000 0.517 127 E N 1.454 121.685 120.200 0.052 0.000 2.249 127 E HA 0.067 4.417 4.350 -0.001 0.000 0.280 127 E C -0.611 176.026 176.600 0.061 0.000 1.016 127 E CA -0.412 56.019 56.400 0.051 0.000 0.830 127 E CB 1.174 30.896 29.700 0.037 0.000 1.081 127 E HN 0.334 nan 8.360 nan 0.000 0.395 128 E N 0.528 120.767 120.200 0.065 0.000 2.641 128 E HA -0.131 4.219 4.350 -0.001 0.000 0.272 128 E C 0.820 177.464 176.600 0.074 0.000 0.990 128 E CA 1.240 57.685 56.400 0.074 0.000 0.971 128 E CB 0.219 29.957 29.700 0.065 0.000 0.967 128 E HN 0.879 nan 8.360 nan 0.000 0.464 129 G N 3.033 111.884 108.800 0.086 0.000 2.179 129 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.260 129 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.260 129 G C 0.010 174.973 174.900 0.106 0.000 0.977 129 G CA 0.262 45.420 45.100 0.097 0.000 0.641 129 G HN 0.621 nan 8.290 nan 0.000 0.533 130 D N 0.950 121.397 120.400 0.078 0.000 2.494 130 D HA 0.424 5.064 4.640 -0.001 0.000 0.217 130 D C 1.969 178.264 176.300 -0.008 0.000 1.153 130 D CA -0.518 53.517 54.000 0.057 0.000 0.954 130 D CB -0.179 40.647 40.800 0.043 0.000 1.034 130 D HN 0.248 nan 8.370 nan 0.000 0.518 131 L N 2.246 123.477 121.223 0.013 0.000 2.261 131 L HA 0.038 4.378 4.340 -0.001 0.000 0.216 131 L C 1.529 178.265 176.870 -0.222 0.000 1.114 131 L CA 0.809 55.622 54.840 -0.044 0.000 0.777 131 L CB -0.810 41.239 42.059 -0.015 0.000 0.910 131 L HN 0.589 nan 8.230 nan 0.000 0.440 132 G N -0.345 108.268 108.800 -0.311 0.000 2.710 132 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.668 132 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.668 132 G C -2.483 171.821 174.900 -0.993 0.000 1.320 132 G CA -0.529 44.143 45.100 -0.713 0.000 0.860 132 G HN 0.037 nan 8.290 nan 0.000 0.538 133 P HA 0.252 nan 4.420 nan 0.000 0.219 133 P C 0.713 177.698 177.300 -0.524 0.000 1.501 133 P CA 1.098 63.541 63.100 -1.094 0.000 1.124 133 P CB -0.671 30.438 31.700 -0.985 0.000 1.848 134 V N -0.976 118.672 119.914 -0.445 0.000 3.234 134 V HA 0.332 4.452 4.120 -0.001 0.000 0.317 134 V C 1.334 177.152 176.094 -0.460 0.000 1.147 134 V CA -0.868 61.145 62.300 -0.477 0.000 1.037 134 V CB -0.014 31.534 31.823 -0.457 0.000 1.148 134 V HN 0.128 nan 8.190 nan 0.000 0.455 135 Y N 1.631 121.623 120.300 -0.513 0.000 1.657 135 Y HA -0.398 4.152 4.550 -0.001 0.000 0.129 135 Y C 2.658 177.970 175.900 -0.980 0.000 0.911 135 Y CA 3.194 60.742 58.100 -0.921 0.000 0.638 135 Y CB -2.026 35.486 38.460 -1.580 0.000 0.592 135 Y HN 0.848 nan 8.280 nan 0.000 0.685 136 G N -1.162 107.171 108.800 -0.779 0.000 2.574 136 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.220 136 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.220 136 G C 1.570 176.348 174.900 -0.202 0.000 1.173 136 G CA 1.379 46.162 45.100 -0.527 0.000 0.772 136 G HN 0.492 nan 8.290 nan 0.000 0.585 137 F N 1.049 120.860 119.950 -0.231 0.000 2.216 137 F HA -0.077 4.450 4.527 -0.001 0.000 0.300 137 F C 2.931 178.711 175.800 -0.033 0.000 1.085 137 F CA 1.857 59.811 58.000 -0.077 0.000 1.326 137 F CB 0.101 39.025 39.000 -0.126 0.000 1.027 137 F HN 0.094 nan 8.300 nan 0.000 0.497 138 Q N -0.590 119.227 119.800 0.028 0.000 2.049 138 Q HA -0.174 4.166 4.340 -0.001 0.000 0.198 138 Q C 2.098 178.254 176.000 0.259 0.000 0.971 138 Q CA 1.512 57.405 55.803 0.149 0.000 0.833 138 Q CB -1.061 27.804 28.738 0.211 0.000 0.896 138 Q HN 0.504 nan 8.270 nan 0.000 0.434 139 W N 1.555 122.819 121.300 -0.061 0.000 2.321 139 W HA -0.150 4.510 4.660 -0.001 0.000 0.306 139 W C 2.083 178.521 176.519 -0.136 0.000 1.217 139 W CA 1.012 58.321 57.345 -0.060 0.000 1.257 139 W CB -0.311 29.119 29.460 -0.050 0.000 1.145 139 W HN 0.174 nan 8.180 nan 0.000 0.509 140 R N -2.091 118.376 120.500 -0.055 0.000 2.225 140 R HA 0.082 4.421 4.340 -0.001 0.000 0.194 140 R C 0.282 176.191 176.300 -0.653 0.000 0.957 140 R CA 0.770 56.638 56.100 -0.386 0.000 1.042 140 R CB -0.622 29.319 30.300 -0.599 0.000 1.004 140 R HN 0.265 nan 8.270 nan 0.000 0.509 141 H N -0.444 118.436 119.070 -0.318 0.000 2.624 141 H HA 0.164 4.719 4.556 -0.001 0.000 0.233 141 H C 0.525 175.570 175.328 -0.471 0.000 1.376 141 H CA -0.815 54.948 56.048 -0.475 0.000 1.137 141 H CB -0.217 29.030 29.762 -0.857 0.000 1.867 141 H HN -0.017 nan 8.280 nan 0.000 0.547 142 F N 2.132 121.951 119.950 -0.217 0.000 2.015 142 F HA -0.266 4.260 4.527 -0.001 0.000 0.297 142 F C 2.494 178.268 175.800 -0.042 0.000 1.141 142 F CA 2.347 60.284 58.000 -0.105 0.000 1.192 142 F CB -0.270 38.706 39.000 -0.039 0.000 0.957 142 F HN 0.396 nan 8.300 nan 0.000 0.491 143 G N 0.017 108.887 108.800 0.117 0.000 2.529 143 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.219 143 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.219 143 G C 0.850 175.735 174.900 -0.024 0.000 1.177 143 G CA 0.687 45.804 45.100 0.028 0.000 0.773 143 G HN 0.781 nan 8.290 nan 0.000 0.573 144 A N 0.170 122.992 122.820 0.002 0.000 2.617 144 A HA 0.051 4.370 4.320 -0.001 0.000 0.232 144 A C 0.504 178.183 177.584 0.159 0.000 1.027 144 A CA 0.956 53.037 52.037 0.074 0.000 0.806 144 A CB -0.114 18.884 19.000 -0.003 0.000 0.908 144 A HN 0.562 nan 8.150 nan 0.000 0.484 145 E N 1.979 122.266 120.200 0.144 0.000 2.046 145 E HA 0.355 4.705 4.350 -0.001 0.000 0.279 145 E C -0.631 176.034 176.600 0.108 0.000 0.989 145 E CA -0.474 55.989 56.400 0.105 0.000 0.798 145 E CB 0.280 30.023 29.700 0.071 0.000 1.086 145 E HN 0.589 nan 8.360 nan 0.000 0.399 146 Y N 3.807 124.010 120.300 -0.161 0.000 2.459 146 Y HA 0.294 4.843 4.550 -0.001 0.000 0.349 146 Y C 0.346 176.170 175.900 -0.126 0.000 1.266 146 Y CA 1.297 59.160 58.100 -0.396 0.000 1.483 146 Y CB 0.706 38.742 38.460 -0.708 0.000 1.362 146 Y HN 0.624 nan 8.280 nan 0.000 0.628 147 R N 3.404 123.593 120.500 -0.518 0.000 2.906 147 R HA 0.388 4.728 4.340 -0.001 0.000 0.282 147 R C -1.018 175.044 176.300 -0.397 0.000 0.943 147 R CA -0.396 55.551 56.100 -0.255 0.000 0.889 147 R CB -0.941 nan 30.300 nan 0.000 1.433 147 R HN 1.012 nan 8.270 nan 0.000 0.345 148 D N 1.155 121.318 120.400 -0.396 0.000 10.375 148 D HA -0.172 4.467 4.640 -0.001 0.000 0.304 148 D C 1.086 177.186 176.300 -0.333 0.000 2.977 148 D CA 1.136 54.983 54.000 -0.256 0.000 2.717 148 D CB -0.023 40.673 40.800 -0.173 0.000 1.143 148 D HN 1.370 nan 8.370 nan 0.000 0.875 149 M N 1.008 120.559 119.600 -0.081 0.000 2.686 149 M HA 0.130 4.609 4.480 -0.001 0.000 0.246 149 M C 0.527 176.828 176.300 0.001 0.000 1.096 149 M CA 1.173 56.497 55.300 0.039 0.000 1.076 149 M CB 0.151 32.816 32.600 0.110 0.000 1.504 149 M HN 0.348 nan 8.290 nan 0.000 0.524 150 E N 0.554 120.699 120.200 -0.091 0.000 2.812 150 E HA 0.272 4.622 4.350 -0.001 0.000 0.211 150 E C -0.601 175.867 176.600 -0.220 0.000 0.986 150 E CA -0.342 55.995 56.400 -0.104 0.000 1.119 150 E CB 0.981 30.645 29.700 -0.060 0.000 1.046 150 E HN 0.379 nan 8.360 nan 0.000 0.474 151 S N 0.985 116.437 115.700 -0.414 0.000 2.632 151 S HA 0.097 4.566 4.470 -0.001 0.000 0.271 151 S C -0.191 173.924 174.600 -0.808 0.000 1.260 151 S CA -0.632 57.202 58.200 -0.610 0.000 1.010 151 S CB 1.176 63.917 63.200 -0.764 0.000 0.965 151 S HN 0.217 nan 8.310 nan 0.000 0.534 152 D N 0.699 120.748 120.400 -0.585 0.000 2.339 152 D HA 0.104 4.743 4.640 -0.001 0.000 0.241 152 D C -0.805 175.212 176.300 -0.472 0.000 1.183 152 D CA -0.126 53.623 54.000 -0.419 0.000 0.859 152 D CB 0.332 41.005 40.800 -0.212 0.000 1.067 152 D HN 0.507 nan 8.370 nan 0.000 0.484 153 Y N 1.415 121.605 120.300 -0.183 0.000 2.555 153 Y HA 0.067 4.616 4.550 -0.001 0.000 0.259 153 Y C 1.232 176.836 175.900 -0.494 0.000 1.179 153 Y CA -0.610 57.267 58.100 -0.373 0.000 1.230 153 Y CB -0.125 38.010 38.460 -0.540 0.000 1.146 153 Y HN 0.231 nan 8.280 nan 0.000 0.526 154 S N -0.645 115.002 115.700 -0.089 0.000 2.572 154 S HA 0.406 4.876 4.470 -0.001 0.000 0.279 154 S C 1.611 176.245 174.600 0.058 0.000 1.341 154 S CA 0.237 58.469 58.200 0.053 0.000 1.043 154 S CB 1.104 64.336 63.200 0.053 0.000 0.887 154 S HN 0.806 nan 8.310 nan 0.000 0.516 155 G N 1.891 110.760 108.800 0.116 0.000 2.435 155 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.245 155 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.245 155 G C 0.021 174.975 174.900 0.089 0.000 1.073 155 G CA 0.529 45.680 45.100 0.085 0.000 0.638 155 G HN 1.240 nan 8.290 nan 0.000 0.521 156 Q N -0.077 119.775 119.800 0.086 0.000 2.226 156 Q HA 0.612 4.952 4.340 -0.001 0.000 0.256 156 Q C 0.538 176.613 176.000 0.126 0.000 0.962 156 Q CA -0.349 55.505 55.803 0.084 0.000 0.887 156 Q CB 2.209 30.988 28.738 0.068 0.000 1.282 156 Q HN 2.000 nan 8.270 nan 0.000 0.449 157 G N -0.394 108.464 108.800 0.096 0.000 2.710 157 G HA2 -0.106 3.854 3.960 -0.001 0.000 0.668 157 G HA3 -0.106 3.854 3.960 -0.001 0.000 0.668 157 G C -1.304 173.656 174.900 0.099 0.000 1.320 157 G CA -0.404 44.749 45.100 0.089 0.000 0.860 157 G HN 1.184 nan 8.290 nan 0.000 0.538 158 V N 0.098 120.069 119.914 0.096 0.000 2.409 158 V HA 0.647 4.767 4.120 -0.001 0.000 0.291 158 V C -0.392 175.714 176.094 0.020 0.000 1.020 158 V CA -0.256 62.086 62.300 0.070 0.000 0.848 158 V CB 1.660 33.537 31.823 0.090 0.000 0.990 158 V HN 0.945 nan 8.190 nan 0.000 0.430 159 D N 4.885 125.276 120.400 -0.015 0.000 2.402 159 D HA 0.222 4.862 4.640 -0.001 0.000 0.235 159 D C 0.979 177.260 176.300 -0.032 0.000 1.226 159 D CA 0.329 54.299 54.000 -0.050 0.000 0.918 159 D CB 1.489 42.259 40.800 -0.049 0.000 1.043 159 D HN 0.748 nan 8.370 nan 0.000 0.506 160 Q N 2.009 121.788 119.800 -0.036 0.000 2.046 160 Q HA -0.145 4.194 4.340 -0.001 0.000 0.200 160 Q C 1.785 177.752 176.000 -0.056 0.000 0.975 160 Q CA 0.710 56.476 55.803 -0.061 0.000 0.836 160 Q CB 0.089 28.766 28.738 -0.101 0.000 0.896 160 Q HN 0.450 nan 8.270 nan 0.000 0.428 161 L N 1.166 122.363 121.223 -0.043 0.000 2.013 161 L HA -0.281 4.059 4.340 -0.001 0.000 0.212 161 L C 2.335 179.192 176.870 -0.021 0.000 1.073 161 L CA 1.967 56.787 54.840 -0.033 0.000 0.753 161 L CB -0.668 41.428 42.059 0.061 0.000 0.890 161 L HN 0.255 nan 8.230 nan 0.000 0.432 162 Q N -0.410 119.385 119.800 -0.008 0.000 2.049 162 Q HA -0.251 4.089 4.340 -0.001 0.000 0.198 162 Q C 2.480 178.468 176.000 -0.019 0.000 0.971 162 Q CA 1.619 57.418 55.803 -0.007 0.000 0.833 162 Q CB -0.143 28.596 28.738 0.002 0.000 0.896 162 Q HN 0.523 nan 8.270 nan 0.000 0.434 163 R N -0.092 120.396 120.500 -0.020 0.000 2.119 163 R HA -0.161 4.179 4.340 -0.001 0.000 0.246 163 R C 2.227 178.513 176.300 -0.024 0.000 1.146 163 R CA 1.913 58.001 56.100 -0.020 0.000 0.962 163 R CB -0.551 29.734 30.300 -0.024 0.000 0.863 163 R HN 0.165 nan 8.270 nan 0.000 0.442 164 V N 0.579 120.475 119.914 -0.030 0.000 2.295 164 V HA -0.256 3.863 4.120 -0.001 0.000 0.246 164 V C 2.331 178.378 176.094 -0.079 0.000 1.049 164 V CA 2.106 64.384 62.300 -0.035 0.000 1.024 164 V CB -0.436 31.368 31.823 -0.032 0.000 0.648 164 V HN 0.353 nan 8.190 nan 0.000 0.447 165 I N 0.355 120.874 120.570 -0.085 0.000 2.179 165 I HA -0.260 3.910 4.170 -0.001 0.000 0.242 165 I C 2.217 178.302 176.117 -0.053 0.000 1.088 165 I CA 1.983 63.233 61.300 -0.084 0.000 1.357 165 I CB -0.475 37.497 38.000 -0.047 0.000 1.051 165 I HN 0.344 nan 8.210 nan 0.000 0.409 166 D N 0.112 120.492 120.400 -0.034 0.000 2.178 166 D HA -0.145 4.495 4.640 -0.001 0.000 0.201 166 D C 2.098 178.384 176.300 -0.025 0.000 0.980 166 D CA 1.312 55.298 54.000 -0.024 0.000 0.842 166 D CB -0.192 40.599 40.800 -0.015 0.000 0.948 166 D HN 0.265 nan 8.370 nan 0.000 0.472 167 T N 0.360 114.899 114.554 -0.026 0.000 2.770 167 T HA -0.028 4.322 4.350 -0.001 0.000 0.263 167 T C 2.104 176.788 174.700 -0.026 0.000 1.039 167 T CA 0.468 62.557 62.100 -0.019 0.000 1.142 167 T CB -0.203 68.660 68.868 -0.008 0.000 0.868 167 T HN 0.157 nan 8.240 nan 0.000 0.435 168 I N 0.915 121.460 120.570 -0.041 0.000 2.248 168 I HA -0.243 3.927 4.170 -0.001 0.000 0.248 168 I C 2.547 178.638 176.117 -0.044 0.000 1.107 168 I CA 1.464 62.734 61.300 -0.051 0.000 1.373 168 I CB -0.354 37.593 38.000 -0.087 0.000 1.055 168 I HN 0.247 nan 8.210 nan 0.000 0.418 169 K N 0.171 120.547 120.400 -0.040 0.000 2.001 169 K HA -0.152 4.167 4.320 -0.001 0.000 0.208 169 K C 2.254 178.838 176.600 -0.027 0.000 1.048 169 K CA 2.134 58.402 56.287 -0.032 0.000 0.932 169 K CB -0.329 32.155 32.500 -0.027 0.000 0.715 169 K HN 0.476 nan 8.250 nan 0.000 0.437 170 T N -1.289 113.251 114.554 -0.023 0.000 2.852 170 T HA -0.068 4.282 4.350 -0.001 0.000 0.256 170 T C 0.844 175.533 174.700 -0.020 0.000 1.038 170 T CA 0.759 62.848 62.100 -0.019 0.000 1.141 170 T CB -0.035 68.824 68.868 -0.015 0.000 0.869 170 T HN -0.011 nan 8.240 nan 0.000 0.439 171 N N 1.845 120.533 118.700 -0.019 0.000 2.716 171 N HA 0.432 5.172 4.740 -0.001 0.000 0.253 171 N C -2.553 172.944 175.510 -0.022 0.000 1.170 171 N CA -2.276 50.763 53.050 -0.018 0.000 0.807 171 N CB 1.794 40.275 38.487 -0.011 0.000 1.183 171 N HN -0.015 nan 8.380 nan 0.000 0.524 172 P HA -0.053 nan 4.420 nan 0.000 0.218 172 P C 0.248 177.511 177.300 -0.062 0.000 1.148 172 P CA 1.037 64.106 63.100 -0.051 0.000 0.822 172 P CB 0.351 32.012 31.700 -0.065 0.000 0.784 173 D N -1.229 119.142 120.400 -0.048 0.000 2.347 173 D HA -0.065 4.574 4.640 -0.001 0.000 0.215 173 D C 0.579 176.879 176.300 -0.001 0.000 0.976 173 D CA 0.562 54.538 54.000 -0.041 0.000 0.884 173 D CB -0.508 40.275 40.800 -0.029 0.000 0.915 173 D HN 0.228 nan 8.370 nan 0.000 0.526 174 D N 1.300 121.704 120.400 0.006 0.000 2.571 174 D HA -0.116 4.523 4.640 -0.001 0.000 0.231 174 D C 0.541 176.873 176.300 0.053 0.000 1.133 174 D CA 0.382 54.397 54.000 0.024 0.000 0.862 174 D CB 0.667 41.478 40.800 0.020 0.000 1.179 174 D HN 0.098 nan 8.370 nan 0.000 0.474 175 R N 3.136 123.667 120.500 0.053 0.000 2.609 175 R HA 0.167 4.507 4.340 -0.001 0.000 0.326 175 R C 0.330 176.657 176.300 0.044 0.000 1.090 175 R CA -0.204 55.938 56.100 0.070 0.000 1.072 175 R CB 0.475 30.811 30.300 0.059 0.000 1.330 175 R HN 0.118 nan 8.270 nan 0.000 0.572 176 R N 0.320 120.843 120.500 0.039 0.000 2.629 176 R HA 0.285 4.624 4.340 -0.001 0.000 0.408 176 R C -0.089 176.230 176.300 0.031 0.000 1.057 176 R CA -0.076 56.037 56.100 0.021 0.000 1.119 176 R CB 0.494 30.799 30.300 0.007 0.000 1.403 176 R HN 0.092 nan 8.270 nan 0.000 0.576 177 I N 1.868 122.479 120.570 0.068 0.000 2.366 177 I HA 0.130 4.300 4.170 -0.001 0.000 0.302 177 I C -0.204 175.981 176.117 0.113 0.000 1.194 177 I CA 0.495 61.860 61.300 0.108 0.000 1.667 177 I CB -0.328 37.782 38.000 0.184 0.000 1.501 177 I HN 0.028 nan 8.210 nan 0.000 0.776 178 I N 4.635 125.230 120.570 0.041 0.000 2.530 178 I HA 0.448 4.617 4.170 -0.001 0.000 0.297 178 I C -0.241 175.857 176.117 -0.032 0.000 1.011 178 I CA -0.646 60.651 61.300 -0.005 0.000 1.107 178 I CB 2.261 40.237 38.000 -0.039 0.000 1.285 178 I HN 0.422 nan 8.210 nan 0.000 0.436 179 M N 6.706 126.271 119.600 -0.059 0.000 2.134 179 M HA 0.440 4.920 4.480 -0.001 0.000 0.310 179 M C -1.623 174.616 176.300 -0.101 0.000 0.966 179 M CA -0.250 54.975 55.300 -0.126 0.000 0.922 179 M CB 1.345 33.824 32.600 -0.201 0.000 1.537 179 M HN 0.719 nan 8.290 nan 0.000 0.424 180 C N 4.107 123.350 119.300 -0.095 0.000 2.345 180 C HA 0.838 5.297 4.460 -0.001 0.000 0.323 180 C C 1.104 176.181 174.990 0.145 0.000 1.276 180 C CA -0.053 58.973 59.018 0.014 0.000 1.543 180 C CB 0.659 28.376 27.740 -0.039 0.000 2.211 180 C HN 1.035 nan 8.230 nan 0.000 0.493 181 A N 5.084 128.071 122.820 0.278 0.000 2.044 181 A HA 0.172 4.492 4.320 -0.001 0.000 0.213 181 A C 0.958 178.716 177.584 0.290 0.000 1.169 181 A CA -0.101 52.125 52.037 0.316 0.000 0.724 181 A CB -0.229 18.943 19.000 0.286 0.000 0.840 181 A HN 0.905 nan 8.150 nan 0.000 0.463 182 W N 2.448 123.838 121.300 0.150 0.000 2.565 182 W HA 0.188 4.848 4.660 -0.001 0.000 0.325 182 W C -0.616 176.032 176.519 0.215 0.000 1.408 182 W CA 0.149 57.574 57.345 0.134 0.000 1.350 182 W CB 0.267 29.799 29.460 0.120 0.000 1.426 182 W HN 0.271 nan 8.180 nan 0.000 0.538 183 N N 8.072 126.713 118.700 -0.098 0.000 2.746 183 N HA 0.188 4.927 4.740 -0.001 0.000 0.250 183 N C -1.871 173.499 175.510 -0.232 0.000 1.146 183 N CA -1.882 51.149 53.050 -0.032 0.000 0.828 183 N CB 1.280 39.630 38.487 -0.228 0.000 1.158 183 N HN 0.048 nan 8.380 nan 0.000 0.519 184 P HA -0.274 nan 4.420 nan 0.000 0.222 184 P C 1.369 178.604 177.300 -0.109 0.000 1.157 184 P CA 1.553 64.600 63.100 -0.088 0.000 0.905 184 P CB 0.232 31.988 31.700 0.093 0.000 0.792 185 R N -0.184 120.261 120.500 -0.091 0.000 2.103 185 R HA -0.184 4.156 4.340 -0.001 0.000 0.242 185 R C 1.144 177.366 176.300 -0.129 0.000 1.142 185 R CA 2.219 58.264 56.100 -0.093 0.000 0.960 185 R CB -0.669 29.573 30.300 -0.096 0.000 0.858 185 R HN 0.167 nan 8.270 nan 0.000 0.439 186 D N 0.462 120.744 120.400 -0.197 0.000 2.354 186 D HA -0.041 4.599 4.640 -0.001 0.000 0.209 186 D C 1.906 178.067 176.300 -0.232 0.000 1.015 186 D CA -0.001 53.867 54.000 -0.220 0.000 0.867 186 D CB 0.095 40.729 40.800 -0.277 0.000 0.933 186 D HN 0.145 nan 8.370 nan 0.000 0.520 187 L N 1.873 122.935 121.223 -0.267 0.000 2.054 187 L HA -0.188 4.152 4.340 -0.001 0.000 0.220 187 L C -0.432 176.364 176.870 -0.124 0.000 1.081 187 L CA 2.097 56.776 54.840 -0.268 0.000 0.780 187 L CB -2.412 39.485 42.059 -0.271 0.000 0.893 187 L HN 0.146 nan 8.230 nan 0.000 0.438 188 P HA -0.142 nan 4.420 nan 0.000 0.228 188 P C 1.857 179.251 177.300 0.156 0.000 1.151 188 P CA 1.192 64.310 63.100 0.030 0.000 0.770 188 P CB 0.101 31.808 31.700 0.011 0.000 0.786 189 L N -1.969 119.277 121.223 0.038 0.000 2.513 189 L HA 0.194 4.534 4.340 -0.001 0.000 0.222 189 L C 1.471 178.210 176.870 -0.218 0.000 1.096 189 L CA -0.010 54.819 54.840 -0.018 0.000 0.857 189 L CB -0.321 41.629 42.059 -0.182 0.000 1.026 189 L HN -0.111 nan 8.230 nan 0.000 0.469 190 M N -0.197 119.311 119.600 -0.155 0.000 2.219 190 M HA 0.149 4.629 4.480 -0.001 0.000 0.353 190 M C 1.270 177.588 176.300 0.030 0.000 1.304 190 M CA -0.037 55.157 55.300 -0.176 0.000 1.115 190 M CB 1.146 33.628 32.600 -0.197 0.000 1.664 190 M HN 0.017 nan 8.290 nan 0.000 0.459 191 A N 4.101 126.940 122.820 0.031 0.000 2.167 191 A HA 0.188 4.508 4.320 -0.001 0.000 0.214 191 A C 0.533 178.347 177.584 0.383 0.000 1.151 191 A CA 0.720 52.930 52.037 0.288 0.000 0.735 191 A CB 0.331 19.479 19.000 0.246 0.000 0.802 191 A HN 0.677 nan 8.150 nan 0.000 0.467 192 L N -0.273 121.105 121.223 0.258 0.000 2.929 192 L HA 0.318 4.657 4.340 -0.001 0.000 0.246 192 L C -3.211 173.790 176.870 0.219 0.000 0.960 192 L CA -1.172 53.855 54.840 0.311 0.000 1.056 192 L CB 0.661 42.970 42.059 0.416 0.000 1.437 192 L HN -0.077 nan 8.230 nan 0.000 0.514 193 P HA 0.112 nan 4.420 nan 0.000 0.269 193 P C -2.507 174.862 177.300 0.115 0.000 1.200 193 P CA -0.282 62.832 63.100 0.023 0.000 0.779 193 P CB -0.159 31.584 31.700 0.071 0.000 0.841 194 P HA 0.020 nan 4.420 nan 0.000 0.265 194 P C 0.215 177.764 177.300 0.415 0.000 1.222 194 P CA 0.304 63.395 63.100 -0.014 0.000 0.767 194 P CB -0.051 31.580 31.700 -0.115 0.000 0.801 195 C N 2.007 121.655 119.300 0.579 0.000 2.475 195 C HA -0.044 4.416 4.460 -0.001 0.000 0.279 195 C C 1.113 176.429 174.990 0.543 0.000 1.322 195 C CA 0.382 59.730 59.018 0.549 0.000 1.734 195 C CB -1.711 26.379 27.740 0.583 0.000 2.005 195 C HN 0.641 nan 8.230 nan 0.000 0.495 196 H N -0.783 118.605 119.070 0.530 0.000 2.741 196 H HA 0.596 5.151 4.556 -0.001 0.000 0.282 196 H C 0.603 176.230 175.328 0.498 0.000 1.122 196 H CA 0.020 56.337 56.048 0.449 0.000 1.293 196 H CB 0.643 30.738 29.762 0.555 0.000 1.415 196 H HN 0.176 nan 8.280 nan 0.000 0.472 197 A N 4.343 127.408 122.820 0.407 0.000 2.044 197 A HA 0.231 4.550 4.320 -0.001 0.000 0.213 197 A C 0.494 178.270 177.584 0.321 0.000 1.169 197 A CA 0.242 52.515 52.037 0.393 0.000 0.724 197 A CB 0.400 19.627 19.000 0.379 0.000 0.840 197 A HN 0.680 nan 8.150 nan 0.000 0.463 198 L N -0.482 120.897 121.223 0.259 0.000 2.591 198 L HA 0.553 4.893 4.340 -0.001 0.000 0.257 198 L C -1.575 175.330 176.870 0.059 0.000 0.935 198 L CA -1.015 53.911 54.840 0.145 0.000 0.873 198 L CB 1.828 43.946 42.059 0.099 0.000 1.397 198 L HN 0.395 nan 8.230 nan 0.000 0.414 199 C N 2.115 121.394 119.300 -0.036 0.000 2.898 199 C HA 0.833 5.293 4.460 -0.001 0.000 0.304 199 C C -0.867 173.971 174.990 -0.254 0.000 1.237 199 C CA -0.484 58.431 59.018 -0.170 0.000 1.529 199 C CB 1.537 29.143 27.740 -0.222 0.000 2.021 199 C HN 1.039 nan 8.230 nan 0.000 0.474 200 Q N 1.292 120.882 119.800 -0.349 0.000 2.359 200 Q HA 0.704 5.044 4.340 -0.001 0.000 0.274 200 Q C -2.043 173.722 176.000 -0.392 0.000 1.074 200 Q CA -0.393 55.244 55.803 -0.276 0.000 0.810 200 Q CB 1.850 30.521 28.738 -0.113 0.000 1.342 200 Q HN 0.769 nan 8.270 nan 0.000 0.427 201 F N 2.178 122.171 119.950 0.071 0.000 2.458 201 F HA 0.560 5.086 4.527 -0.001 0.000 0.330 201 F C -0.704 175.195 175.800 0.165 0.000 1.082 201 F CA -0.728 57.336 58.000 0.107 0.000 0.995 201 F CB 1.486 40.529 39.000 0.071 0.000 1.170 201 F HN 0.538 nan 8.300 nan 0.000 0.478 202 Y N 2.410 122.831 120.300 0.201 0.000 2.470 202 Y HA 0.639 5.188 4.550 -0.001 0.000 0.341 202 Y C -1.691 174.269 175.900 0.101 0.000 1.021 202 Y CA -1.333 56.832 58.100 0.108 0.000 1.025 202 Y CB 1.658 40.152 38.460 0.057 0.000 1.266 202 Y HN 0.480 nan 8.280 nan 0.000 0.448 203 V N 4.693 124.391 119.914 -0.361 0.000 2.540 203 V HA 0.904 5.023 4.120 -0.001 0.000 0.302 203 V C -1.791 174.007 176.094 -0.493 0.000 1.035 203 V CA -0.832 61.286 62.300 -0.304 0.000 0.873 203 V CB 0.973 32.711 31.823 -0.143 0.000 0.992 203 V HN 0.749 nan 8.190 nan 0.000 0.428 204 V N 4.854 124.578 119.914 -0.318 0.000 2.733 204 V HA 0.564 4.684 4.120 -0.001 0.000 0.306 204 V C -0.533 175.504 176.094 -0.094 0.000 1.084 204 V CA -0.540 61.622 62.300 -0.230 0.000 0.905 204 V CB 1.910 33.620 31.823 -0.188 0.000 1.010 204 V HN 1.166 nan 8.190 nan 0.000 0.424 205 N N 4.781 123.439 118.700 -0.070 0.000 2.620 205 N HA -0.218 4.522 4.740 -0.001 0.000 0.293 205 N C 1.038 176.528 175.510 -0.033 0.000 1.178 205 N CA 1.527 54.554 53.050 -0.039 0.000 0.750 205 N CB -0.831 37.646 38.487 -0.018 0.000 0.949 205 N HN 1.694 nan 8.380 nan 0.000 0.555 206 S N -2.138 113.538 115.700 -0.040 0.000 2.749 206 S HA -0.384 4.086 4.470 -0.001 0.000 0.265 206 S C 0.161 174.742 174.600 -0.031 0.000 1.307 206 S CA 1.966 60.145 58.200 -0.034 0.000 1.452 206 S CB -1.509 61.676 63.200 -0.025 0.000 1.834 206 S HN 0.875 nan 8.310 nan 0.000 0.691 207 E N 1.276 121.461 120.200 -0.025 0.000 2.191 207 E HA 0.727 5.077 4.350 -0.001 0.000 0.274 207 E C -0.614 175.987 176.600 0.002 0.000 0.948 207 E CA -1.282 55.112 56.400 -0.010 0.000 0.802 207 E CB 1.497 31.203 29.700 0.010 0.000 1.137 207 E HN 0.315 nan 8.360 nan 0.000 0.397 208 L N 1.984 123.220 121.223 0.021 0.000 2.282 208 L HA 0.436 4.776 4.340 -0.001 0.000 0.288 208 L C -0.938 176.024 176.870 0.154 0.000 1.033 208 L CA 0.036 54.920 54.840 0.074 0.000 0.807 208 L CB 1.626 43.711 42.059 0.043 0.000 1.209 208 L HN 0.579 nan 8.230 nan 0.000 0.423 209 S N 3.416 119.261 115.700 0.241 0.000 2.648 209 S HA 0.746 5.215 4.470 -0.001 0.000 0.305 209 S C -1.427 173.369 174.600 0.328 0.000 1.094 209 S CA -0.562 57.799 58.200 0.269 0.000 0.983 209 S CB 1.578 64.933 63.200 0.258 0.000 1.101 209 S HN 0.856 nan 8.310 nan 0.000 0.514 210 C N 2.314 121.760 119.300 0.243 0.000 2.701 210 C HA 0.674 5.133 4.460 -0.001 0.000 0.336 210 C C -1.034 173.977 174.990 0.034 0.000 1.123 210 C CA -0.371 58.685 59.018 0.063 0.000 1.326 210 C CB 0.855 28.652 27.740 0.095 0.000 1.833 210 C HN 0.977 nan 8.230 nan 0.000 0.473 211 Q N 3.619 123.344 119.800 -0.124 0.000 2.309 211 Q HA 0.787 5.127 4.340 -0.001 0.000 0.264 211 Q C -1.683 174.230 176.000 -0.146 0.000 1.008 211 Q CA -0.657 55.064 55.803 -0.136 0.000 0.853 211 Q CB 1.881 30.537 28.738 -0.136 0.000 1.314 211 Q HN 0.802 nan 8.270 nan 0.000 0.448 212 L N 3.669 124.816 121.223 -0.126 0.000 2.365 212 L HA 0.490 4.829 4.340 -0.001 0.000 0.273 212 L C -2.047 174.817 176.870 -0.010 0.000 1.000 212 L CA -0.583 54.199 54.840 -0.097 0.000 0.819 212 L CB 1.753 43.735 42.059 -0.129 0.000 1.284 212 L HN 0.727 nan 8.230 nan 0.000 0.418 213 Y N 3.864 124.118 120.300 -0.076 0.000 2.356 213 Y HA 0.457 5.007 4.550 -0.001 0.000 0.334 213 Y C -0.548 175.361 175.900 0.015 0.000 0.958 213 Y CA -0.240 57.818 58.100 -0.069 0.000 1.196 213 Y CB 1.026 39.437 38.460 -0.082 0.000 1.137 213 Y HN 0.714 nan 8.280 nan 0.000 0.485 214 Q N 7.090 126.599 119.800 -0.484 0.000 2.466 214 Q HA 0.230 4.570 4.340 -0.001 0.000 0.242 214 Q C 1.066 176.816 176.000 -0.417 0.000 1.046 214 Q CA -0.566 55.106 55.803 -0.218 0.000 0.841 214 Q CB 0.655 29.402 28.738 0.016 0.000 1.193 214 Q HN 0.990 nan 8.270 nan 0.000 0.508 215 R N 1.014 121.327 120.500 -0.310 0.000 2.139 215 R HA -0.057 4.282 4.340 -0.001 0.000 0.243 215 R C 0.400 176.699 176.300 -0.003 0.000 1.145 215 R CA 1.205 57.197 56.100 -0.181 0.000 0.976 215 R CB 0.058 30.358 30.300 -0.001 0.000 0.866 215 R HN 0.266 nan 8.270 nan 0.000 0.449 216 S N -0.552 115.211 115.700 0.105 0.000 2.571 216 S HA 0.611 5.081 4.470 -0.001 0.000 0.284 216 S C -0.990 173.735 174.600 0.209 0.000 1.128 216 S CA -0.451 57.884 58.200 0.224 0.000 0.970 216 S CB 2.017 65.404 63.200 0.311 0.000 1.039 216 S HN 0.478 nan 8.310 nan 0.000 0.485 217 G N 2.408 111.280 108.800 0.119 0.000 2.702 217 G HA2 0.381 4.341 3.960 -0.001 0.000 0.295 217 G HA3 0.381 4.341 3.960 -0.001 0.000 0.295 217 G C -1.321 173.368 174.900 -0.351 0.000 1.446 217 G CA -0.517 44.574 45.100 -0.015 0.000 0.983 217 G HN 0.612 nan 8.290 nan 0.000 0.520 218 D N 3.352 123.674 120.400 -0.129 0.000 2.435 218 D HA 0.098 4.737 4.640 -0.001 0.000 0.230 218 D C 1.614 177.949 176.300 0.058 0.000 1.215 218 D CA -0.621 53.339 54.000 -0.067 0.000 0.947 218 D CB 0.992 41.951 40.800 0.265 0.000 1.048 218 D HN 0.167 nan 8.370 nan 0.000 0.512 219 M N 2.432 122.026 119.600 -0.009 0.000 2.255 219 M HA -0.070 4.409 4.480 -0.001 0.000 0.259 219 M C 1.812 178.246 176.300 0.223 0.000 1.071 219 M CA 1.538 56.902 55.300 0.108 0.000 1.074 219 M CB -0.187 32.422 32.600 0.015 0.000 1.384 219 M HN 0.456 nan 8.290 nan 0.000 0.415 220 G N -1.995 106.944 108.800 0.231 0.000 2.545 220 G HA2 0.125 4.084 3.960 -0.001 0.000 0.212 220 G HA3 0.125 4.084 3.960 -0.001 0.000 0.212 220 G C 1.340 176.290 174.900 0.085 0.000 1.144 220 G CA 0.097 45.284 45.100 0.144 0.000 0.813 220 G HN 0.412 nan 8.290 nan 0.000 0.531 221 L N -0.304 120.994 121.223 0.125 0.000 2.630 221 L HA 0.274 4.613 4.340 -0.001 0.000 0.180 221 L C 3.011 179.900 176.870 0.033 0.000 1.221 221 L CA 0.852 55.718 54.840 0.043 0.000 0.853 221 L CB -0.701 41.360 42.059 0.003 0.000 1.172 221 L HN 0.221 nan 8.230 nan 0.000 0.508 222 G N 0.069 108.892 108.800 0.037 0.000 2.418 222 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.217 222 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.217 222 G C 1.556 176.548 174.900 0.153 0.000 1.158 222 G CA 0.987 46.116 45.100 0.047 0.000 0.771 222 G HN 0.117 nan 8.290 nan 0.000 0.545 223 V N 2.223 122.248 119.914 0.184 0.000 2.231 223 V HA -0.170 3.950 4.120 -0.001 0.000 0.248 223 V C 0.511 176.690 176.094 0.142 0.000 1.054 223 V CA 2.478 64.908 62.300 0.216 0.000 1.015 223 V CB -1.475 30.536 31.823 0.314 0.000 0.638 223 V HN 0.285 nan 8.190 nan 0.000 0.444 224 P HA -0.191 nan 4.420 nan 0.000 0.216 224 P C 1.700 179.027 177.300 0.044 0.000 1.154 224 P CA 1.677 64.771 63.100 -0.010 0.000 0.865 224 P CB -0.149 31.558 31.700 0.011 0.000 0.789 225 F N -0.274 119.644 119.950 -0.054 0.000 2.146 225 F HA -0.145 4.381 4.527 -0.001 0.000 0.298 225 F C 2.079 177.815 175.800 -0.105 0.000 1.096 225 F CA 1.420 59.382 58.000 -0.064 0.000 1.275 225 F CB -0.749 38.229 39.000 -0.036 0.000 1.008 225 F HN -0.089 nan 8.300 nan 0.000 0.480 226 N N 0.403 119.180 118.700 0.128 0.000 2.142 226 N HA -0.137 4.603 4.740 -0.001 0.000 0.186 226 N C 2.113 177.577 175.510 -0.077 0.000 1.023 226 N CA 1.420 54.495 53.050 0.042 0.000 0.852 226 N CB -0.461 38.080 38.487 0.090 0.000 0.998 226 N HN 0.287 nan 8.380 nan 0.000 0.424 227 I N 1.165 121.609 120.570 -0.210 0.000 2.286 227 I HA -0.221 3.948 4.170 -0.001 0.000 0.248 227 I C 2.289 178.026 176.117 -0.634 0.000 1.115 227 I CA 0.961 62.002 61.300 -0.431 0.000 1.392 227 I CB -0.317 37.400 38.000 -0.472 0.000 1.065 227 I HN 0.061 nan 8.210 nan 0.000 0.418 228 A N -0.447 122.089 122.820 -0.473 0.000 1.929 228 A HA -0.165 4.155 4.320 -0.001 0.000 0.216 228 A C 2.481 179.854 177.584 -0.352 0.000 1.176 228 A CA 1.798 53.531 52.037 -0.506 0.000 0.628 228 A CB -0.577 18.257 19.000 -0.277 0.000 0.816 228 A HN 0.336 nan 8.150 nan 0.000 0.444 229 S N -1.852 113.675 115.700 -0.290 0.000 2.383 229 S HA -0.128 4.342 4.470 -0.001 0.000 0.227 229 S C 1.788 176.154 174.600 -0.391 0.000 1.026 229 S CA 1.352 59.379 58.200 -0.289 0.000 0.981 229 S CB -0.422 62.624 63.200 -0.257 0.000 0.818 229 S HN 0.645 nan 8.310 nan 0.000 0.472 230 Y N 1.045 121.142 120.300 -0.338 0.000 2.420 230 Y HA 0.258 4.808 4.550 -0.001 0.000 0.292 230 Y C 2.452 178.101 175.900 -0.419 0.000 1.119 230 Y CA 0.525 58.416 58.100 -0.348 0.000 1.229 230 Y CB -0.514 37.660 38.460 -0.478 0.000 1.026 230 Y HN 0.315 nan 8.280 nan 0.000 0.554 231 A N -0.072 122.417 122.820 -0.551 0.000 1.898 231 A HA -0.137 4.183 4.320 -0.001 0.000 0.216 231 A C 2.234 179.863 177.584 0.075 0.000 1.181 231 A CA 1.193 53.002 52.037 -0.380 0.000 0.620 231 A CB -0.927 17.561 19.000 -0.853 0.000 0.819 231 A HN 0.478 nan 8.150 nan 0.000 0.442 232 L N -0.891 120.381 121.223 0.081 0.000 1.994 232 L HA -0.171 4.168 4.340 -0.001 0.000 0.208 232 L C 2.550 179.470 176.870 0.084 0.000 1.071 232 L CA 1.920 56.867 54.840 0.178 0.000 0.745 232 L CB -0.343 41.703 42.059 -0.023 0.000 0.892 232 L HN 0.489 nan 8.230 nan 0.000 0.431 233 L N -0.423 120.805 121.223 0.007 0.000 2.043 233 L HA -0.245 4.095 4.340 -0.001 0.000 0.212 233 L C 2.326 179.291 176.870 0.157 0.000 1.075 233 L CA 2.342 57.217 54.840 0.058 0.000 0.752 233 L CB -0.794 41.312 42.059 0.079 0.000 0.891 233 L HN 0.216 nan 8.230 nan 0.000 0.432 234 T N -1.387 113.307 114.554 0.234 0.000 2.674 234 T HA -0.216 4.133 4.350 -0.001 0.000 0.265 234 T C 1.680 176.494 174.700 0.191 0.000 1.039 234 T CA 1.936 64.191 62.100 0.258 0.000 1.150 234 T CB -0.575 68.461 68.868 0.280 0.000 0.864 234 T HN 0.344 nan 8.240 nan 0.000 0.427 235 Y N 1.432 121.808 120.300 0.127 0.000 2.114 235 Y HA -0.193 4.357 4.550 -0.001 0.000 0.282 235 Y C 2.583 178.574 175.900 0.152 0.000 1.165 235 Y CA 1.410 59.601 58.100 0.152 0.000 1.148 235 Y CB -0.607 37.962 38.460 0.183 0.000 0.972 235 Y HN 0.187 nan 8.280 nan 0.000 0.504 236 M N -1.128 118.616 119.600 0.239 0.000 2.080 236 M HA -0.267 4.213 4.480 -0.001 0.000 0.260 236 M C 1.952 178.384 176.300 0.219 0.000 1.068 236 M CA 1.443 56.814 55.300 0.119 0.000 1.109 236 M CB -0.493 32.006 32.600 -0.167 0.000 1.342 236 M HN 0.189 nan 8.290 nan 0.000 0.405 237 I N 0.647 121.286 120.570 0.115 0.000 2.179 237 I HA -0.224 3.945 4.170 -0.001 0.000 0.242 237 I C 2.777 178.927 176.117 0.055 0.000 1.088 237 I CA 1.694 63.014 61.300 0.035 0.000 1.357 237 I CB -1.670 36.232 38.000 -0.164 0.000 1.051 237 I HN 0.250 nan 8.210 nan 0.000 0.409 238 A N 0.023 122.875 122.820 0.053 0.000 1.948 238 A HA -0.281 4.038 4.320 -0.001 0.000 0.220 238 A C 2.366 180.002 177.584 0.088 0.000 1.177 238 A CA 1.936 53.991 52.037 0.030 0.000 0.636 238 A CB -1.097 17.885 19.000 -0.030 0.000 0.815 238 A HN 0.549 nan 8.150 nan 0.000 0.449 239 H N -0.010 119.105 119.070 0.075 0.000 2.326 239 H HA 0.010 4.566 4.556 -0.001 0.000 0.301 239 H C 1.856 177.232 175.328 0.079 0.000 1.081 239 H CA 1.856 57.966 56.048 0.104 0.000 1.334 239 H CB -0.156 29.733 29.762 0.211 0.000 1.385 239 H HN 0.475 nan 8.280 nan 0.000 0.504 240 I N 0.964 121.723 120.570 0.315 0.000 2.676 240 I HA -0.157 4.012 4.170 -0.001 0.000 0.259 240 I C 1.919 178.069 176.117 0.055 0.000 1.194 240 I CA 1.453 62.865 61.300 0.186 0.000 1.473 240 I CB -0.107 38.005 38.000 0.186 0.000 1.096 240 I HN 0.334 nan 8.210 nan 0.000 0.443 241 T N -2.597 111.975 114.554 0.030 0.000 3.040 241 T HA 0.291 4.641 4.350 -0.001 0.000 0.250 241 T C 1.369 176.050 174.700 -0.032 0.000 1.058 241 T CA 0.321 62.413 62.100 -0.013 0.000 0.988 241 T CB 0.543 69.392 68.868 -0.031 0.000 0.993 241 T HN 0.415 nan 8.240 nan 0.000 0.519 242 G N 1.461 110.236 108.800 -0.042 0.000 2.289 242 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.280 242 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.280 242 G C -0.307 174.563 174.900 -0.051 0.000 1.089 242 G CA 0.229 45.289 45.100 -0.067 0.000 0.939 242 G HN 0.629 nan 8.290 nan 0.000 0.499 243 L N -1.278 119.921 121.223 -0.041 0.000 2.257 243 L HA 0.745 5.085 4.340 -0.001 0.000 0.257 243 L C 0.214 177.057 176.870 -0.046 0.000 1.033 243 L CA -1.393 53.422 54.840 -0.040 0.000 0.835 243 L CB 1.630 43.667 42.059 -0.038 0.000 1.398 243 L HN -0.056 nan 8.230 nan 0.000 0.429 244 K N 2.603 122.975 120.400 -0.046 0.000 2.265 244 K HA 0.393 4.713 4.320 -0.001 0.000 0.267 244 K C -2.527 174.025 176.600 -0.080 0.000 0.994 244 K CA -2.030 54.220 56.287 -0.062 0.000 0.860 244 K CB 1.690 34.169 32.500 -0.035 0.000 1.099 244 K HN 0.161 nan 8.250 nan 0.000 0.448 245 P HA -0.021 nan 4.420 nan 0.000 0.264 245 P C -0.010 177.259 177.300 -0.053 0.000 1.183 245 P CA 0.221 63.215 63.100 -0.176 0.000 0.763 245 P CB 0.969 32.356 31.700 -0.522 0.000 0.807 246 G N 3.143 111.960 108.800 0.029 0.000 2.601 246 G HA2 0.152 4.112 3.960 -0.001 0.000 0.214 246 G HA3 0.152 4.112 3.960 -0.001 0.000 0.214 246 G C -0.450 174.513 174.900 0.105 0.000 2.067 246 G CA 0.027 45.169 45.100 0.070 0.000 0.774 246 G HN 0.459 nan 8.290 nan 0.000 0.729 247 D N -0.476 120.006 120.400 0.138 0.000 2.342 247 D HA 0.439 5.079 4.640 -0.001 0.000 0.243 247 D C -1.663 174.775 176.300 0.229 0.000 1.019 247 D CA -0.345 53.747 54.000 0.154 0.000 0.864 247 D CB 2.739 43.596 40.800 0.096 0.000 1.315 247 D HN 0.077 nan 8.370 nan 0.000 0.468 248 F N 2.602 122.607 119.950 0.091 0.000 2.382 248 F HA 0.450 4.977 4.527 -0.001 0.000 0.361 248 F C -1.022 174.852 175.800 0.124 0.000 1.109 248 F CA -0.899 57.154 58.000 0.089 0.000 1.031 248 F CB 0.307 39.342 39.000 0.059 0.000 1.234 248 F HN 0.168 nan 8.300 nan 0.000 0.445 249 I N 6.282 126.615 120.570 -0.394 0.000 2.315 249 I HA 0.218 4.388 4.170 -0.001 0.000 0.291 249 I C -0.333 175.404 176.117 -0.634 0.000 1.006 249 I CA -0.513 60.533 61.300 -0.423 0.000 1.265 249 I CB 1.081 38.954 38.000 -0.212 0.000 1.387 249 I HN 0.581 nan 8.210 nan 0.000 0.475 250 H N 5.593 124.271 119.070 -0.654 0.000 2.581 250 H HA 0.364 4.919 4.556 -0.001 0.000 0.308 250 H C -1.004 174.183 175.328 -0.236 0.000 1.040 250 H CA -0.500 55.258 56.048 -0.483 0.000 1.231 250 H CB 1.015 30.601 29.762 -0.293 0.000 1.396 250 H HN 0.521 nan 8.280 nan 0.000 0.467 251 T N 6.901 121.261 114.554 -0.324 0.000 2.756 251 T HA 0.216 4.565 4.350 -0.001 0.000 0.290 251 T C -0.119 174.277 174.700 -0.507 0.000 0.985 251 T CA -0.785 61.123 62.100 -0.321 0.000 0.955 251 T CB 0.708 69.513 68.868 -0.105 0.000 0.930 251 T HN 0.312 nan 8.240 nan 0.000 0.451 252 L N 2.408 123.330 121.223 -0.501 0.000 2.375 252 L HA 0.670 5.010 4.340 -0.001 0.000 0.268 252 L C 1.215 177.783 176.870 -0.503 0.000 1.058 252 L CA 0.132 54.673 54.840 -0.499 0.000 0.803 252 L CB 1.091 42.933 42.059 -0.362 0.000 1.212 252 L HN 0.812 nan 8.230 nan 0.000 0.451 253 G N 0.186 108.707 108.800 -0.466 0.000 2.601 253 G HA2 -0.011 3.948 3.960 -0.001 0.000 0.214 253 G HA3 -0.011 3.948 3.960 -0.001 0.000 0.214 253 G C -0.393 174.396 174.900 -0.185 0.000 2.067 253 G CA 0.070 44.892 45.100 -0.463 0.000 0.774 253 G HN 0.524 nan 8.290 nan 0.000 0.729 254 D N 1.875 122.347 120.400 0.121 0.000 2.483 254 D HA 0.488 5.128 4.640 -0.001 0.000 0.220 254 D C 0.121 176.564 176.300 0.239 0.000 1.173 254 D CA -0.365 53.791 54.000 0.261 0.000 0.964 254 D CB 0.336 41.293 40.800 0.262 0.000 1.046 254 D HN 0.306 nan 8.370 nan 0.000 0.517 255 A N 5.573 128.458 122.820 0.107 0.000 2.415 255 A HA 0.357 4.677 4.320 -0.001 0.000 0.309 255 A C 0.190 177.808 177.584 0.058 0.000 1.356 255 A CA -0.548 51.501 52.037 0.019 0.000 0.998 255 A CB -0.073 18.904 19.000 -0.037 0.000 1.145 255 A HN 0.687 nan 8.150 nan 0.000 0.545 256 H N 0.630 119.678 119.070 -0.036 0.000 2.713 256 H HA 0.775 5.330 4.556 -0.001 0.000 0.340 256 H C -1.219 174.054 175.328 -0.092 0.000 1.271 256 H CA -1.617 54.372 56.048 -0.098 0.000 1.306 256 H CB 1.318 30.953 29.762 -0.211 0.000 1.839 256 H HN 0.375 nan 8.280 nan 0.000 0.627 257 I N 1.542 122.104 120.570 -0.014 0.000 2.529 257 I HA 0.113 4.282 4.170 -0.001 0.000 0.284 257 I C -0.985 175.127 176.117 -0.008 0.000 1.088 257 I CA -0.731 60.583 61.300 0.023 0.000 1.062 257 I CB 1.104 39.142 38.000 0.063 0.000 1.218 257 I HN 0.399 nan 8.210 nan 0.000 0.442 258 Y N 5.131 125.451 120.300 0.033 0.000 2.712 258 Y HA 0.015 4.564 4.550 -0.001 0.000 0.333 258 Y C 1.616 177.469 175.900 -0.079 0.000 1.225 258 Y CA 0.069 58.106 58.100 -0.105 0.000 1.499 258 Y CB 0.604 38.832 38.460 -0.386 0.000 1.288 258 Y HN 0.530 nan 8.280 nan 0.000 0.575 259 L N 1.909 123.191 121.223 0.098 0.000 2.129 259 L HA -0.298 4.041 4.340 -0.001 0.000 0.212 259 L C 1.764 178.687 176.870 0.088 0.000 1.087 259 L CA 1.559 56.445 54.840 0.077 0.000 0.757 259 L CB -0.435 41.659 42.059 0.058 0.000 0.896 259 L HN 0.758 nan 8.230 nan 0.000 0.434 260 N N -1.310 117.433 118.700 0.072 0.000 2.434 260 N HA -0.131 4.609 4.740 -0.001 0.000 0.196 260 N C 0.997 176.648 175.510 0.234 0.000 1.183 260 N CA 0.572 53.681 53.050 0.099 0.000 0.849 260 N CB -0.378 38.142 38.487 0.054 0.000 0.992 260 N HN 0.553 nan 8.380 nan 0.000 0.460 261 H N -0.585 118.550 119.070 0.109 0.000 2.874 261 H HA 0.336 4.892 4.556 -0.001 0.000 0.264 261 H C 1.574 176.950 175.328 0.080 0.000 1.007 261 H CA -0.355 55.755 56.048 0.102 0.000 1.207 261 H CB 0.814 30.662 29.762 0.144 0.000 1.487 261 H HN 0.057 nan 8.280 nan 0.000 0.505 262 I N 1.127 121.811 120.570 0.190 0.000 2.163 262 I HA -0.267 3.902 4.170 -0.001 0.000 0.243 262 I C 2.230 178.400 176.117 0.088 0.000 1.085 262 I CA 1.224 62.593 61.300 0.116 0.000 1.347 262 I CB -0.080 37.969 38.000 0.082 0.000 1.044 262 I HN 0.261 nan 8.210 nan 0.000 0.408 263 E N 0.657 120.906 120.200 0.083 0.000 2.023 263 E HA -0.171 4.179 4.350 -0.001 0.000 0.196 263 E C 0.017 176.653 176.600 0.060 0.000 1.003 263 E CA 1.595 58.032 56.400 0.062 0.000 0.809 263 E CB -1.823 27.911 29.700 0.056 0.000 0.755 263 E HN 0.379 nan 8.360 nan 0.000 0.449 264 P HA -0.145 nan 4.420 nan 0.000 0.212 264 P C 1.616 178.947 177.300 0.051 0.000 1.178 264 P CA 0.940 64.067 63.100 0.046 0.000 0.915 264 P CB -0.056 31.659 31.700 0.025 0.000 0.788 265 L N -0.380 120.880 121.223 0.061 0.000 2.129 265 L HA -0.195 4.145 4.340 -0.001 0.000 0.212 265 L C 2.194 179.102 176.870 0.064 0.000 1.087 265 L CA 1.923 56.806 54.840 0.070 0.000 0.757 265 L CB -1.469 40.638 42.059 0.079 0.000 0.896 265 L HN 0.102 nan 8.230 nan 0.000 0.434 266 K N -0.531 119.904 120.400 0.057 0.000 2.283 266 K HA -0.137 4.183 4.320 -0.001 0.000 0.202 266 K C 1.937 178.566 176.600 0.048 0.000 1.048 266 K CA 0.646 56.962 56.287 0.048 0.000 0.948 266 K CB 0.269 32.795 32.500 0.043 0.000 0.742 266 K HN 0.159 nan 8.250 nan 0.000 0.458 267 I N 0.739 121.340 120.570 0.052 0.000 2.270 267 I HA -0.203 3.967 4.170 -0.001 0.000 0.239 267 I C 2.452 178.609 176.117 0.067 0.000 1.080 267 I CA 1.161 62.493 61.300 0.053 0.000 1.383 267 I CB -1.282 36.748 38.000 0.049 0.000 1.097 267 I HN 0.331 nan 8.210 nan 0.000 0.420 268 Q N 1.005 120.850 119.800 0.074 0.000 2.268 268 Q HA -0.226 4.114 4.340 -0.001 0.000 0.210 268 Q C 2.243 178.295 176.000 0.085 0.000 0.988 268 Q CA 1.525 57.380 55.803 0.088 0.000 0.883 268 Q CB -0.134 28.666 28.738 0.103 0.000 0.911 268 Q HN 0.477 nan 8.270 nan 0.000 0.430 269 L N 0.036 121.304 121.223 0.076 0.000 2.376 269 L HA -0.113 4.226 4.340 -0.001 0.000 0.219 269 L C 1.378 178.283 176.870 0.058 0.000 1.133 269 L CA 0.828 55.708 54.840 0.066 0.000 0.816 269 L CB 0.063 42.153 42.059 0.051 0.000 0.933 269 L HN 0.344 nan 8.230 nan 0.000 0.449 270 Q N -0.321 119.516 119.800 0.061 0.000 2.204 270 Q HA 0.154 4.494 4.340 -0.001 0.000 0.209 270 Q C -0.207 175.841 176.000 0.080 0.000 0.861 270 Q CA -0.104 55.734 55.803 0.059 0.000 0.971 270 Q CB 0.589 29.357 28.738 0.050 0.000 1.095 270 Q HN 0.359 nan 8.270 nan 0.000 0.486 271 R N 0.888 121.442 120.500 0.090 0.000 2.474 271 R HA 0.282 4.621 4.340 -0.001 0.000 0.295 271 R C -0.371 175.963 176.300 0.057 0.000 0.980 271 R CA -0.400 55.789 56.100 0.147 0.000 0.934 271 R CB 1.372 31.771 30.300 0.165 0.000 1.101 271 R HN 0.132 nan 8.270 nan 0.000 0.469 272 E N 3.373 123.667 120.200 0.157 0.000 2.338 272 E HA 0.143 4.492 4.350 -0.001 0.000 0.272 272 E C -2.208 174.318 176.600 -0.124 0.000 1.029 272 E CA -1.704 54.719 56.400 0.039 0.000 0.872 272 E CB 0.996 30.748 29.700 0.086 0.000 1.015 272 E HN 0.205 nan 8.360 nan 0.000 0.417 273 P HA 0.173 nan 4.420 nan 0.000 0.290 273 P C -0.894 176.183 177.300 -0.372 0.000 1.276 273 P CA -0.465 62.450 63.100 -0.307 0.000 0.808 273 P CB 0.857 32.405 31.700 -0.254 0.000 0.966 274 R N 3.164 123.474 120.500 -0.317 0.000 2.607 274 R HA 0.531 4.871 4.340 -0.001 0.000 0.261 274 R C -2.464 173.632 176.300 -0.340 0.000 1.051 274 R CA -2.474 53.488 56.100 -0.230 0.000 1.110 274 R CB -1.180 29.078 30.300 -0.071 0.000 1.158 274 R HN 0.279 nan 8.270 nan 0.000 0.543 275 P HA -0.031 nan 4.420 nan 0.000 0.264 275 P C -0.416 176.942 177.300 0.097 0.000 1.183 275 P CA 0.284 63.349 63.100 -0.058 0.000 0.763 275 P CB 0.143 31.857 31.700 0.025 0.000 0.807 276 F N 4.950 125.040 119.950 0.234 0.000 2.563 276 F HA 0.102 4.629 4.527 -0.000 0.000 0.363 276 F C -1.002 174.864 175.800 0.110 0.000 1.123 276 F CA -1.532 56.584 58.000 0.193 0.000 1.307 276 F CB -0.691 38.416 39.000 0.178 0.000 1.115 276 F HN 0.331 nan 8.300 nan 0.000 0.592 277 P HA 0.118 nan 4.420 nan 0.000 0.288 277 P C -1.214 176.126 177.300 0.065 0.000 1.291 277 P CA -0.329 62.838 63.100 0.112 0.000 0.766 277 P CB 0.880 32.545 31.700 -0.058 0.000 1.242 278 K N -0.489 119.891 120.400 -0.034 0.000 2.422 278 K HA 0.542 4.862 4.320 -0.001 0.000 0.251 278 K C -0.902 175.580 176.600 -0.198 0.000 0.933 278 K CA -0.877 55.382 56.287 -0.047 0.000 0.798 278 K CB 1.885 34.388 32.500 0.005 0.000 1.238 278 K HN 0.351 nan 8.250 nan 0.000 0.428 279 L N 2.748 123.811 121.223 -0.267 0.000 2.341 279 L HA 0.549 4.889 4.340 -0.001 0.000 0.278 279 L C -1.087 175.674 176.870 -0.182 0.000 1.005 279 L CA -0.414 54.177 54.840 -0.415 0.000 0.818 279 L CB 1.137 42.667 42.059 -0.882 0.000 1.259 279 L HN 0.545 nan 8.230 nan 0.000 0.418 280 R N 5.272 125.700 120.500 -0.120 0.000 2.740 280 R HA 0.614 4.954 4.340 -0.001 0.000 0.282 280 R C -1.235 175.036 176.300 -0.049 0.000 0.969 280 R CA -0.844 55.238 56.100 -0.029 0.000 0.918 280 R CB 2.265 32.550 30.300 -0.025 0.000 1.175 280 R HN 0.614 nan 8.270 nan 0.000 0.464 281 I N 4.100 124.643 120.570 -0.045 0.000 2.371 281 I HA 0.155 4.325 4.170 -0.001 0.000 0.282 281 I C -0.242 175.820 176.117 -0.091 0.000 1.031 281 I CA -0.763 60.415 61.300 -0.202 0.000 1.180 281 I CB 1.103 38.973 38.000 -0.217 0.000 1.336 281 I HN 0.360 nan 8.210 nan 0.000 0.467 282 L N 5.963 127.120 121.223 -0.111 0.000 2.536 282 L HA 0.561 4.900 4.340 -0.001 0.000 0.242 282 L C 0.297 177.137 176.870 -0.050 0.000 1.280 282 L CA -0.022 54.788 54.840 -0.051 0.000 1.221 282 L CB -0.559 41.478 42.059 -0.037 0.000 1.449 282 L HN 0.643 nan 8.230 nan 0.000 0.405 283 R N 1.568 122.051 120.500 -0.028 0.000 7.093 283 R HA 0.025 4.364 4.340 -0.001 0.000 0.264 283 R C -1.481 174.825 176.300 0.010 0.000 0.827 283 R CA -0.514 55.570 56.100 -0.026 0.000 1.788 283 R CB 0.651 30.912 30.300 -0.064 0.000 1.201 283 R HN 0.618 nan 8.270 nan 0.000 0.847 284 K N 3.208 123.645 120.400 0.062 0.000 2.412 284 K HA 0.372 4.692 4.320 -0.001 0.000 0.284 284 K C -0.404 176.229 176.600 0.055 0.000 1.046 284 K CA -0.587 55.791 56.287 0.152 0.000 0.999 284 K CB 1.400 33.924 32.500 0.040 0.000 0.941 284 K HN 0.160 nan 8.250 nan 0.000 0.474 285 V N 3.148 123.114 119.914 0.086 0.000 2.628 285 V HA 0.141 4.260 4.120 -0.001 0.000 0.306 285 V C 0.519 176.557 176.094 -0.093 0.000 1.045 285 V CA -0.736 61.445 62.300 -0.199 0.000 0.905 285 V CB 1.449 32.843 31.823 -0.716 0.000 0.997 285 V HN 1.016 nan 8.190 nan 0.000 0.436 286 E N 1.934 122.070 120.200 -0.107 0.000 2.583 286 E HA 0.324 4.674 4.350 -0.001 0.000 0.213 286 E C -0.213 176.361 176.600 -0.044 0.000 0.989 286 E CA -0.472 55.902 56.400 -0.044 0.000 0.991 286 E CB 0.762 30.444 29.700 -0.032 0.000 1.040 286 E HN 0.340 nan 8.360 nan 0.000 0.481 287 K N 1.253 121.597 120.400 -0.093 0.000 2.507 287 K HA 0.297 4.617 4.320 -0.001 0.000 0.251 287 K C 0.123 176.708 176.600 -0.025 0.000 0.943 287 K CA -0.538 55.727 56.287 -0.037 0.000 0.794 287 K CB 2.224 34.703 32.500 -0.035 0.000 1.188 287 K HN 0.038 nan 8.250 nan 0.000 0.428 288 I N 1.538 122.173 120.570 0.109 0.000 2.850 288 I HA -0.246 3.924 4.170 -0.001 0.000 0.266 288 I C 0.137 176.434 176.117 0.300 0.000 1.257 288 I CA 1.579 63.058 61.300 0.299 0.000 1.465 288 I CB 0.330 38.484 38.000 0.256 0.000 1.091 288 I HN 0.559 nan 8.210 nan 0.000 0.467 289 D N 0.015 120.502 120.400 0.145 0.000 2.354 289 D HA -0.079 4.560 4.640 -0.001 0.000 0.209 289 D C 1.340 177.692 176.300 0.086 0.000 1.015 289 D CA 0.340 54.417 54.000 0.127 0.000 0.867 289 D CB 0.097 40.947 40.800 0.084 0.000 0.933 289 D HN 0.231 nan 8.370 nan 0.000 0.520 290 D N -0.227 120.169 120.400 -0.007 0.000 2.347 290 D HA -0.014 4.626 4.640 -0.001 0.000 0.213 290 D C 0.122 176.383 176.300 -0.066 0.000 0.985 290 D CA 0.094 54.049 54.000 -0.076 0.000 0.879 290 D CB -0.065 40.630 40.800 -0.175 0.000 0.919 290 D HN 0.209 nan 8.370 nan 0.000 0.526 291 F N 1.527 121.507 119.950 0.050 0.000 2.607 291 F HA 0.017 4.544 4.527 -0.001 0.000 0.374 291 F C 1.367 177.220 175.800 0.087 0.000 1.104 291 F CA 0.295 58.343 58.000 0.081 0.000 1.296 291 F CB 0.560 39.669 39.000 0.181 0.000 1.085 291 F HN -0.451 nan 8.300 nan 0.000 0.584 292 K N 1.915 122.501 120.400 0.311 0.000 2.395 292 K HA 0.502 4.822 4.320 -0.001 0.000 0.247 292 K C 0.469 177.210 176.600 0.234 0.000 0.973 292 K CA -0.510 55.891 56.287 0.191 0.000 0.828 292 K CB 1.698 34.257 32.500 0.099 0.000 1.272 292 K HN 0.514 nan 8.250 nan 0.000 0.439 293 A N 1.402 124.300 122.820 0.131 0.000 2.024 293 A HA -0.170 4.150 4.320 -0.001 0.000 0.220 293 A C 1.253 178.930 177.584 0.156 0.000 1.164 293 A CA 1.798 53.894 52.037 0.099 0.000 0.643 293 A CB -0.335 18.641 19.000 -0.039 0.000 0.806 293 A HN 0.760 nan 8.150 nan 0.000 0.451 294 E N 0.513 120.781 120.200 0.113 0.000 2.427 294 E HA -0.059 4.291 4.350 -0.001 0.000 0.196 294 E C 0.819 177.459 176.600 0.068 0.000 1.028 294 E CA 0.808 57.261 56.400 0.088 0.000 0.864 294 E CB -0.059 29.670 29.700 0.049 0.000 0.813 294 E HN 0.563 nan 8.360 nan 0.000 0.514 295 D N -0.245 120.189 120.400 0.056 0.000 2.347 295 D HA -0.029 4.611 4.640 -0.001 0.000 0.215 295 D C -0.227 175.856 176.300 -0.363 0.000 0.976 295 D CA 0.637 54.544 54.000 -0.155 0.000 0.884 295 D CB 0.163 40.842 40.800 -0.202 0.000 0.915 295 D HN 0.146 nan 8.370 nan 0.000 0.526 296 F N 0.552 120.540 119.950 0.064 0.000 2.480 296 F HA 0.407 4.934 4.527 -0.001 0.000 0.329 296 F C 0.399 176.264 175.800 0.107 0.000 1.091 296 F CA -0.813 57.219 58.000 0.054 0.000 0.972 296 F CB 1.941 40.977 39.000 0.060 0.000 1.150 296 F HN -0.391 nan 8.300 nan 0.000 0.467 297 Q N 3.276 123.165 119.800 0.148 0.000 2.309 297 Q HA 0.565 4.905 4.340 -0.001 0.000 0.273 297 Q C -1.692 174.156 176.000 -0.254 0.000 1.040 297 Q CA -0.540 55.259 55.803 -0.007 0.000 0.834 297 Q CB 2.688 31.425 28.738 -0.002 0.000 1.345 297 Q HN 0.716 nan 8.270 nan 0.000 0.414 298 I N 1.864 122.137 120.570 -0.494 0.000 2.498 298 I HA 0.451 4.621 4.170 -0.001 0.000 0.301 298 I C -0.350 175.587 176.117 -0.299 0.000 0.984 298 I CA -0.615 60.346 61.300 -0.565 0.000 1.204 298 I CB 1.905 39.325 38.000 -0.966 0.000 1.362 298 I HN 0.562 nan 8.210 nan 0.000 0.471 299 E N 2.417 122.491 120.200 -0.211 0.000 2.256 299 E HA 0.476 4.826 4.350 -0.001 0.000 0.268 299 E C -0.072 176.506 176.600 -0.037 0.000 0.877 299 E CA -0.391 55.953 56.400 -0.094 0.000 0.757 299 E CB 2.028 31.691 29.700 -0.062 0.000 1.183 299 E HN 0.907 nan 8.360 nan 0.000 0.418 300 G N 2.691 111.499 108.800 0.012 0.000 2.142 300 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.225 300 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.225 300 G C -0.556 174.427 174.900 0.138 0.000 1.015 300 G CA -0.157 44.977 45.100 0.057 0.000 0.716 300 G HN 0.618 nan 8.290 nan 0.000 0.508 301 Y N 1.510 121.782 120.300 -0.046 0.000 2.535 301 Y HA 0.432 4.981 4.550 -0.000 0.000 0.349 301 Y C 0.160 176.055 175.900 -0.007 0.000 0.992 301 Y CA -0.997 57.084 58.100 -0.031 0.000 1.248 301 Y CB 0.452 38.865 38.460 -0.078 0.000 1.124 301 Y HN 0.148 nan 8.280 nan 0.000 0.520 302 N N 8.633 127.316 118.700 -0.029 0.000 2.990 302 N HA 0.193 4.932 4.740 -0.001 0.000 0.288 302 N C -2.895 172.523 175.510 -0.152 0.000 1.624 302 N CA -1.112 51.871 53.050 -0.112 0.000 0.961 302 N CB 0.861 39.335 38.487 -0.023 0.000 1.259 302 N HN 0.492 nan 8.380 nan 0.000 0.489 303 P HA 0.112 nan 4.420 nan 0.000 0.274 303 P C -0.215 177.074 177.300 -0.017 0.000 1.237 303 P CA 0.064 63.013 63.100 -0.252 0.000 0.793 303 P CB 1.286 32.648 31.700 -0.563 0.000 0.977 304 H N 1.285 120.292 119.070 -0.104 0.000 2.615 304 H HA 0.158 4.714 4.556 -0.000 0.000 0.363 304 H C -1.495 173.794 175.328 -0.064 0.000 1.148 304 H CA -1.624 54.383 56.048 -0.067 0.000 1.401 304 H CB 0.161 29.904 29.762 -0.032 0.000 1.461 304 H HN 0.386 nan 8.280 nan 0.000 0.588 305 P HA -0.119 nan 4.420 nan 0.000 0.268 305 P C -0.140 177.178 177.300 0.030 0.000 1.189 305 P CA 0.175 63.281 63.100 0.010 0.000 0.771 305 P CB 0.407 32.100 31.700 -0.012 0.000 0.822 306 T N 1.895 116.455 114.554 0.011 0.000 2.791 306 T HA 0.200 4.549 4.350 -0.001 0.000 0.323 306 T C 0.653 175.365 174.700 0.020 0.000 1.082 306 T CA 0.365 62.476 62.100 0.018 0.000 1.084 306 T CB -0.101 68.766 68.868 -0.002 0.000 0.992 306 T HN 0.269 nan 8.240 nan 0.000 0.547 307 I N 1.565 122.147 120.570 0.021 0.000 2.497 307 I HA 0.262 4.431 4.170 -0.001 0.000 0.284 307 I C 0.015 176.129 176.117 -0.005 0.000 1.060 307 I CA -0.845 60.463 61.300 0.013 0.000 1.071 307 I CB 1.654 39.669 38.000 0.025 0.000 1.216 307 I HN 0.382 nan 8.210 nan 0.000 0.442 308 K N 7.448 127.841 120.400 -0.012 0.000 2.276 308 K HA 0.642 4.962 4.320 -0.001 0.000 0.283 308 K C -0.757 175.824 176.600 -0.032 0.000 1.044 308 K CA -0.186 56.088 56.287 -0.022 0.000 0.944 308 K CB 1.409 33.899 32.500 -0.018 0.000 1.012 308 K HN 0.539 nan 8.250 nan 0.000 0.472 309 M N 2.045 121.614 119.600 -0.053 0.000 2.324 309 M HA 0.161 4.640 4.480 -0.001 0.000 0.288 309 M C -0.609 175.705 176.300 0.023 0.000 1.097 309 M CA -0.603 54.655 55.300 -0.070 0.000 0.928 309 M CB 2.644 35.023 32.600 -0.367 0.000 1.648 309 M HN 0.551 nan 8.290 nan 0.000 0.460 310 E N 3.139 123.407 120.200 0.114 0.000 2.354 310 E HA 0.322 4.671 4.350 -0.001 0.000 0.269 310 E C -1.013 175.636 176.600 0.082 0.000 1.036 310 E CA -0.307 56.134 56.400 0.068 0.000 0.876 310 E CB 1.204 30.927 29.700 0.037 0.000 1.009 310 E HN 0.645 nan 8.360 nan 0.000 0.416 311 M N 3.303 122.885 119.600 -0.031 0.000 2.216 311 M HA 0.315 4.795 4.480 -0.001 0.000 0.356 311 M C -0.881 175.304 176.300 -0.192 0.000 1.205 311 M CA -0.347 54.887 55.300 -0.110 0.000 1.122 311 M CB 0.917 33.434 32.600 -0.138 0.000 1.571 311 M HN 0.616 nan 8.290 nan 0.000 0.464 312 A N 5.577 128.179 122.820 -0.364 0.000 2.310 312 A HA 0.475 4.794 4.320 -0.001 0.000 0.300 312 A C -0.385 177.085 177.584 -0.190 0.000 1.269 312 A CA -0.520 51.280 52.037 -0.395 0.000 0.909 312 A CB 0.312 18.757 19.000 -0.924 0.000 1.144 312 A HN 0.790 nan 8.150 nan 0.000 0.540 313 V N 0.000 119.875 119.914 -0.065 0.000 2.409 313 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 313 V CA 0.000 62.334 62.300 0.057 0.000 1.235 313 V CB 0.000 31.880 31.823 0.095 0.000 1.184 313 V HN 0.000 nan 8.190 nan 0.000 0.556