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 1ggp_1_A DATA FIRST_RESID 12 DATA SEQUENCE STDASYNADI KEERDAAEGP MAHGIPALNA XGALDEARAY ATVDSANXTD DATA SEQUENCE EEVSVAVDVT NLAVVAYRAG SNSYFHAAAP GSSLSHLFSR SSQHTLGFDN DATA SEQUENCE TYGDMAQAAG SNRKAIPLGA AALESGIASL NSKNPXXXXL ARTLMVIIQM DATA SEQUENCE LVEAARFRYI QNNVDVSIET QSAFAADAAM ISLENNWANL SALVQGSSQG DATA SEQUENCE TFASSATLQN AEDEPIIVDA VYHPTVAVLA LMLRKACXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXG GA 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 12 S HA 0.000 nan 4.470 nan 0.000 0.327 12 S C 0.000 174.604 174.600 0.006 0.000 1.055 12 S CA 0.000 58.200 58.200 -0.001 0.000 1.107 12 S CB 0.000 63.195 63.200 -0.008 0.000 0.593 13 T N -0.660 113.910 114.554 0.027 0.000 2.900 13 T HA 0.546 4.896 4.350 -0.000 0.000 0.303 13 T C 0.203 174.952 174.700 0.082 0.000 1.142 13 T CA -0.510 61.614 62.100 0.039 0.000 1.007 13 T CB 1.544 70.434 68.868 0.036 0.000 1.156 13 T HN -0.013 nan 8.240 nan 0.000 0.490 14 D N 1.699 122.148 120.400 0.081 0.000 2.149 14 D HA 0.070 4.710 4.640 -0.000 0.000 0.201 14 D C 2.297 178.684 176.300 0.145 0.000 0.972 14 D CA 1.557 55.644 54.000 0.145 0.000 0.835 14 D CB -0.674 40.181 40.800 0.093 0.000 0.966 14 D HN 0.718 nan 8.370 nan 0.000 0.476 15 A N 0.620 123.487 122.820 0.079 0.000 1.877 15 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 15 A C 2.353 179.965 177.584 0.047 0.000 1.186 15 A CA 1.956 54.021 52.037 0.047 0.000 0.620 15 A CB -0.818 18.200 19.000 0.030 0.000 0.822 15 A HN 0.211 nan 8.150 nan 0.000 0.443 16 S N -2.017 113.723 115.700 0.067 0.000 2.383 16 S HA -0.195 4.275 4.470 -0.000 0.000 0.229 16 S C 1.884 176.543 174.600 0.097 0.000 1.030 16 S CA 1.750 59.990 58.200 0.067 0.000 1.002 16 S CB -0.480 62.760 63.200 0.068 0.000 0.829 16 S HN 0.712 nan 8.310 nan 0.000 0.467 17 Y N 1.905 122.206 120.300 0.002 0.000 2.286 17 Y HA 0.125 4.675 4.550 -0.000 0.000 0.293 17 Y C 1.867 177.769 175.900 0.004 0.000 1.124 17 Y CA 1.562 59.664 58.100 0.003 0.000 1.178 17 Y CB -0.813 37.648 38.460 0.002 0.000 1.010 17 Y HN 0.343 nan 8.280 nan 0.000 0.536 18 N N 0.113 118.721 118.700 -0.153 0.000 2.028 18 N HA -0.209 4.531 4.740 -0.000 0.000 0.194 18 N C 2.069 177.464 175.510 -0.192 0.000 1.050 18 N CA 1.197 54.103 53.050 -0.240 0.000 0.848 18 N CB -0.382 38.063 38.487 -0.069 0.000 1.038 18 N HN 0.434 nan 8.380 nan 0.000 0.423 19 A N 1.521 124.288 122.820 -0.089 0.000 1.927 19 A HA -0.295 4.025 4.320 -0.000 0.000 0.220 19 A C 1.910 179.446 177.584 -0.080 0.000 1.185 19 A CA 1.959 53.958 52.037 -0.063 0.000 0.639 19 A CB -0.938 18.047 19.000 -0.025 0.000 0.820 19 A HN 0.506 nan 8.150 nan 0.000 0.451 20 D N 0.520 120.866 120.400 -0.091 0.000 2.108 20 D HA -0.205 4.435 4.640 -0.000 0.000 0.190 20 D C 1.943 178.174 176.300 -0.116 0.000 0.995 20 D CA 2.454 56.408 54.000 -0.077 0.000 0.834 20 D CB -0.258 40.520 40.800 -0.036 0.000 0.967 20 D HN 0.532 nan 8.370 nan 0.000 0.446 21 I N -0.959 119.474 120.570 -0.229 0.000 2.614 21 I HA -0.135 4.035 4.170 -0.000 0.000 0.258 21 I C 2.061 178.099 176.117 -0.131 0.000 1.189 21 I CA 1.022 62.206 61.300 -0.192 0.000 1.462 21 I CB -0.768 37.060 38.000 -0.288 0.000 1.092 21 I HN -0.113 nan 8.210 nan 0.000 0.442 22 K N 1.998 122.322 120.400 -0.126 0.000 2.002 22 K HA -0.117 4.202 4.320 -0.000 0.000 0.209 22 K C 2.049 178.617 176.600 -0.054 0.000 1.048 22 K CA 1.772 58.012 56.287 -0.079 0.000 0.930 22 K CB -0.289 32.170 32.500 -0.067 0.000 0.714 22 K HN 0.477 nan 8.250 nan 0.000 0.438 23 E N -0.203 119.969 120.200 -0.048 0.000 2.333 23 E HA -0.195 4.155 4.350 -0.000 0.000 0.198 23 E C 1.534 178.119 176.600 -0.026 0.000 1.007 23 E CA 0.882 57.265 56.400 -0.029 0.000 0.845 23 E CB 0.057 29.745 29.700 -0.021 0.000 0.766 23 E HN 0.371 nan 8.360 nan 0.000 0.507 24 E N 0.255 120.432 120.200 -0.038 0.000 2.190 24 E HA 0.018 4.368 4.350 -0.000 0.000 0.191 24 E C 1.911 178.490 176.600 -0.035 0.000 0.978 24 E CA 0.248 56.628 56.400 -0.033 0.000 0.839 24 E CB 0.305 29.980 29.700 -0.041 0.000 0.787 24 E HN 0.058 nan 8.360 nan 0.000 0.473 25 R N 0.886 121.361 120.500 -0.042 0.000 2.093 25 R HA -0.043 4.296 4.340 -0.000 0.000 0.224 25 R C 0.207 176.495 176.300 -0.020 0.000 1.101 25 R CA 1.311 57.390 56.100 -0.035 0.000 0.979 25 R CB 0.056 30.332 30.300 -0.039 0.000 0.877 25 R HN 0.163 nan 8.270 nan 0.000 0.441 26 D N -0.710 119.679 120.400 -0.019 0.000 2.973 26 D HA 0.222 4.862 4.640 -0.000 0.000 0.263 26 D C 0.134 176.428 176.300 -0.010 0.000 1.266 26 D CA -0.251 53.742 54.000 -0.012 0.000 0.975 26 D CB 1.172 41.966 40.800 -0.011 0.000 1.032 26 D HN 0.137 nan 8.370 nan 0.000 0.510 27 A N -0.260 122.555 122.820 -0.009 0.000 2.604 27 A HA 0.523 4.843 4.320 -0.000 0.000 0.157 27 A C 0.755 178.335 177.584 -0.007 0.000 1.680 27 A CA 0.213 52.246 52.037 -0.007 0.000 1.227 27 A CB 0.272 19.268 19.000 -0.006 0.000 1.493 27 A HN 0.508 nan 8.150 nan 0.000 0.453 28 A N 1.336 124.152 122.820 -0.006 0.000 3.253 28 A HA 0.595 4.915 4.320 -0.000 0.000 0.290 28 A C -0.474 177.113 177.584 0.005 0.000 0.950 28 A CA 0.387 52.422 52.037 -0.003 0.000 0.986 28 A CB -0.382 18.617 19.000 -0.001 0.000 1.104 28 A HN 0.588 nan 8.150 nan 0.000 0.481 29 E N -0.173 120.028 120.200 0.002 0.000 2.311 29 E HA 0.586 4.936 4.350 -0.000 0.000 0.281 29 E C -0.124 176.476 176.600 0.001 0.000 0.905 29 E CA -0.748 55.656 56.400 0.006 0.000 0.778 29 E CB 1.227 30.932 29.700 0.008 0.000 1.240 29 E HN 0.328 nan 8.360 nan 0.000 0.410 30 G N 2.629 111.428 108.800 -0.001 0.000 2.441 30 G HA2 0.578 4.538 3.960 -0.000 0.000 0.334 30 G HA3 0.578 4.538 3.960 -0.000 0.000 0.334 30 G C -2.464 172.433 174.900 -0.005 0.000 1.161 30 G CA -2.151 42.945 45.100 -0.006 0.000 0.935 30 G HN 0.384 nan 8.290 nan 0.000 0.488 31 P HA -0.144 nan 4.420 nan 0.000 0.265 31 P C 0.757 178.053 177.300 -0.008 0.000 1.132 31 P CA 0.896 63.992 63.100 -0.007 0.000 0.752 31 P CB 0.140 31.833 31.700 -0.012 0.000 0.728 32 M N 2.337 121.935 119.600 -0.002 0.000 2.036 32 M HA 0.484 4.964 4.480 -0.000 0.000 0.276 32 M C 0.867 177.159 176.300 -0.013 0.000 1.262 32 M CA -0.038 55.263 55.300 0.002 0.000 1.097 32 M CB -0.199 32.411 32.600 0.016 0.000 1.386 32 M HN 0.335 nan 8.290 nan 0.000 0.482 33 A N -0.376 122.437 122.820 -0.011 0.000 2.083 33 A HA 0.150 4.470 4.320 -0.000 0.000 0.209 33 A C 1.227 178.761 177.584 -0.083 0.000 1.969 33 A CA 0.085 52.088 52.037 -0.057 0.000 0.933 33 A CB -0.364 18.603 19.000 -0.055 0.000 1.304 33 A HN 0.949 nan 8.150 nan 0.000 0.621 34 H N -0.998 118.073 119.070 0.001 0.000 2.507 34 H HA 0.382 4.938 4.556 -0.000 0.000 0.294 34 H C 1.136 176.467 175.328 0.005 0.000 1.064 34 H CA 0.568 56.615 56.048 -0.002 0.000 1.138 34 H CB 0.343 30.096 29.762 -0.014 0.000 1.515 34 H HN 0.775 nan 8.280 nan 0.000 0.547 35 G N 0.706 109.569 108.800 0.103 0.000 2.195 35 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.224 35 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.224 35 G C 0.031 174.971 174.900 0.066 0.000 0.990 35 G CA 0.050 45.195 45.100 0.075 0.000 0.639 35 G HN 0.258 nan 8.290 nan 0.000 0.514 36 I N 2.294 122.911 120.570 0.078 0.000 2.321 36 I HA 0.471 4.641 4.170 -0.000 0.000 0.291 36 I C -1.604 174.543 176.117 0.050 0.000 0.998 36 I CA -2.720 58.621 61.300 0.069 0.000 1.227 36 I CB 1.432 39.486 38.000 0.090 0.000 1.368 36 I HN -0.135 nan 8.210 nan 0.000 0.466 37 P HA 0.226 nan 4.420 nan 0.000 0.271 37 P C -0.739 176.581 177.300 0.033 0.000 1.238 37 P CA -0.236 62.881 63.100 0.028 0.000 0.794 37 P CB 0.776 32.490 31.700 0.024 0.000 0.959 38 A N 0.922 123.755 122.820 0.021 0.000 2.515 38 A HA 0.579 4.899 4.320 -0.000 0.000 0.298 38 A C -0.212 177.384 177.584 0.019 0.000 1.059 38 A CA -0.903 51.145 52.037 0.018 0.000 0.698 38 A CB 0.732 19.724 19.000 -0.013 0.000 1.289 38 A HN 0.422 nan 8.150 nan 0.000 0.404 39 L N 1.596 122.841 121.223 0.036 0.000 2.482 39 L HA 0.117 4.457 4.340 -0.000 0.000 0.273 39 L C 0.822 177.691 176.870 -0.000 0.000 1.228 39 L CA -0.480 54.380 54.840 0.034 0.000 0.827 39 L CB 0.153 42.257 42.059 0.076 0.000 1.099 39 L HN 0.678 nan 8.230 nan 0.000 0.494 40 N N 0.566 119.262 118.700 -0.007 0.000 2.492 40 N HA 0.228 4.968 4.740 -0.000 0.000 0.262 40 N C -0.138 175.354 175.510 -0.029 0.000 1.202 40 N CA -0.080 52.958 53.050 -0.022 0.000 0.926 40 N CB 1.439 39.910 38.487 -0.027 0.000 1.078 40 N HN 0.717 nan 8.380 nan 0.000 0.454 44 A N 1.112 123.912 122.820 -0.033 0.000 2.305 44 A HA 0.635 4.955 4.320 -0.000 0.000 0.236 44 A C 0.314 177.877 177.584 -0.036 0.000 1.392 44 A CA 0.371 52.390 52.037 -0.030 0.000 1.205 44 A CB -0.496 18.488 19.000 -0.027 0.000 0.881 44 A HN 0.299 nan 8.150 nan 0.000 0.558 45 L N 0.410 121.606 121.223 -0.046 0.000 2.349 45 L HA 0.331 4.671 4.340 -0.000 0.000 0.278 45 L C -1.043 175.790 176.870 -0.061 0.000 0.996 45 L CA -0.861 53.941 54.840 -0.063 0.000 0.825 45 L CB 1.805 43.810 42.059 -0.091 0.000 1.243 45 L HN 0.157 nan 8.230 nan 0.000 0.412 46 D N 1.882 122.252 120.400 -0.051 0.000 2.341 46 D HA 0.065 4.705 4.640 -0.000 0.000 0.245 46 D C 0.952 177.224 176.300 -0.045 0.000 1.106 46 D CA -0.186 53.796 54.000 -0.029 0.000 0.905 46 D CB 1.465 42.257 40.800 -0.014 0.000 1.202 46 D HN 0.526 nan 8.370 nan 0.000 0.426 47 E N 0.862 121.072 120.200 0.016 0.000 2.396 47 E HA -0.127 4.223 4.350 -0.000 0.000 0.200 47 E C 0.923 177.534 176.600 0.018 0.000 1.023 47 E CA 0.813 57.264 56.400 0.086 0.000 0.857 47 E CB -0.077 29.831 29.700 0.348 0.000 0.775 47 E HN 0.330 nan 8.360 nan 0.000 0.525 48 A N 1.866 124.687 122.820 0.002 0.000 2.411 48 A HA 0.177 4.497 4.320 -0.000 0.000 0.251 48 A C 1.204 178.753 177.584 -0.058 0.000 1.317 48 A CA -0.072 51.949 52.037 -0.026 0.000 0.904 48 A CB -0.366 18.643 19.000 0.016 0.000 0.993 48 A HN 0.264 nan 8.150 nan 0.000 0.504 49 R N -2.964 117.475 120.500 -0.101 0.000 2.393 49 R HA 0.180 4.519 4.340 -0.000 0.000 0.197 49 R C 0.477 176.678 176.300 -0.164 0.000 0.593 49 R CA 0.742 56.783 56.100 -0.099 0.000 0.811 49 R CB -0.875 29.387 30.300 -0.064 0.000 1.409 49 R HN 0.262 nan 8.270 nan 0.000 0.507 50 A N 0.555 123.187 122.820 -0.313 0.000 2.218 50 A HA 0.287 4.607 4.320 -0.000 0.000 0.209 50 A C -0.432 176.767 177.584 -0.641 0.000 1.168 50 A CA 0.426 52.166 52.037 -0.495 0.000 0.804 50 A CB -0.073 18.530 19.000 -0.661 0.000 0.834 50 A HN 0.276 nan 8.150 nan 0.000 0.482 51 Y N -0.394 119.849 120.300 -0.096 0.000 2.341 51 Y HA 0.630 5.180 4.550 -0.000 0.000 0.338 51 Y C 0.329 176.178 175.900 -0.085 0.000 0.965 51 Y CA -1.321 56.717 58.100 -0.104 0.000 1.108 51 Y CB 1.340 39.693 38.460 -0.178 0.000 1.180 51 Y HN 0.157 nan 8.280 nan 0.000 0.458 52 A N 2.046 124.926 122.820 0.101 0.000 2.324 52 A HA 0.824 5.144 4.320 -0.000 0.000 0.330 52 A C -0.514 177.113 177.584 0.071 0.000 1.165 52 A CA -0.672 51.400 52.037 0.058 0.000 0.813 52 A CB 0.561 19.583 19.000 0.037 0.000 1.197 52 A HN 0.665 nan 8.150 nan 0.000 0.484 53 T N 1.338 115.933 114.554 0.069 0.000 2.779 53 T HA 0.564 4.914 4.350 -0.000 0.000 0.280 53 T C -0.520 174.237 174.700 0.095 0.000 0.987 53 T CA -0.439 61.725 62.100 0.106 0.000 0.966 53 T CB 1.278 70.225 68.868 0.132 0.000 0.933 53 T HN 0.434 nan 8.240 nan 0.000 0.442 54 V N 3.101 123.078 119.914 0.106 0.000 2.604 54 V HA 0.441 4.561 4.120 -0.000 0.000 0.305 54 V C -0.709 175.434 176.094 0.081 0.000 1.043 54 V CA -0.915 61.432 62.300 0.078 0.000 0.888 54 V CB 2.140 34.002 31.823 0.064 0.000 0.995 54 V HN 0.858 nan 8.190 nan 0.000 0.429 55 D N 1.915 122.352 120.400 0.061 0.000 2.217 55 D HA 0.620 5.260 4.640 -0.000 0.000 0.248 55 D C -0.513 175.811 176.300 0.041 0.000 1.008 55 D CA -0.157 53.873 54.000 0.050 0.000 0.914 55 D CB 2.020 42.845 40.800 0.042 0.000 1.182 55 D HN 0.436 nan 8.370 nan 0.000 0.451 56 S N -0.195 115.524 115.700 0.031 0.000 2.750 56 S HA 0.636 5.106 4.470 -0.000 0.000 0.276 56 S C -1.113 173.496 174.600 0.015 0.000 1.165 56 S CA -0.523 57.692 58.200 0.024 0.000 1.047 56 S CB 0.735 63.945 63.200 0.018 0.000 1.056 56 S HN 0.537 nan 8.310 nan 0.000 0.481 57 A N 3.727 126.557 122.820 0.015 0.000 2.322 57 A HA 0.961 5.281 4.320 -0.000 0.000 0.327 57 A C -0.332 177.256 177.584 0.006 0.000 1.134 57 A CA -0.680 51.363 52.037 0.010 0.000 0.831 57 A CB 0.943 19.950 19.000 0.012 0.000 1.288 57 A HN 0.854 nan 8.150 nan 0.000 0.472 61 D N 0.334 120.734 120.400 0.001 0.000 3.097 61 D HA -0.096 4.544 4.640 -0.000 0.000 0.209 61 D C -0.233 176.069 176.300 0.003 0.000 1.054 61 D CA 0.760 54.762 54.000 0.003 0.000 0.974 61 D CB -1.090 39.712 40.800 0.003 0.000 1.073 61 D HN 0.772 nan 8.370 nan 0.000 0.437 62 E N 1.359 121.560 120.200 0.002 0.000 2.035 62 E HA 0.181 4.531 4.350 -0.000 0.000 0.271 62 E C 0.329 176.931 176.600 0.002 0.000 0.953 62 E CA -0.296 56.105 56.400 0.002 0.000 0.777 62 E CB 1.235 30.933 29.700 -0.002 0.000 1.104 62 E HN 0.227 nan 8.360 nan 0.000 0.408 63 E N 2.929 123.133 120.200 0.007 0.000 2.221 63 E HA 0.449 4.799 4.350 -0.000 0.000 0.268 63 E C -0.553 176.056 176.600 0.015 0.000 0.933 63 E CA -0.771 55.634 56.400 0.008 0.000 0.809 63 E CB 1.883 31.588 29.700 0.009 0.000 1.190 63 E HN 0.208 nan 8.360 nan 0.000 0.406 64 V N -0.765 119.160 119.914 0.018 0.000 3.182 64 V HA 0.797 4.917 4.120 -0.000 0.000 0.311 64 V C -0.321 175.794 176.094 0.035 0.000 1.221 64 V CA -0.926 61.398 62.300 0.041 0.000 1.060 64 V CB 1.564 33.405 31.823 0.031 0.000 1.164 64 V HN 0.634 nan 8.190 nan 0.000 0.466 65 S N -0.290 115.442 115.700 0.054 0.000 2.619 65 S HA 0.734 5.204 4.470 -0.000 0.000 0.280 65 S C -1.038 173.677 174.600 0.192 0.000 1.150 65 S CA -0.378 57.867 58.200 0.076 0.000 0.978 65 S CB 1.607 64.787 63.200 -0.034 0.000 1.041 65 S HN 0.799 nan 8.310 nan 0.000 0.485 66 V N 3.107 123.141 119.914 0.200 0.000 2.547 66 V HA 0.778 4.898 4.120 -0.000 0.000 0.299 66 V C 0.210 176.441 176.094 0.228 0.000 1.040 66 V CA -0.663 61.767 62.300 0.217 0.000 0.913 66 V CB 1.621 33.522 31.823 0.130 0.000 0.992 66 V HN 0.965 nan 8.190 nan 0.000 0.449 67 A N 5.011 127.946 122.820 0.193 0.000 2.654 67 A HA 0.673 4.993 4.320 -0.000 0.000 0.345 67 A C -0.266 177.374 177.584 0.093 0.000 1.368 67 A CA -0.460 51.608 52.037 0.053 0.000 0.895 67 A CB 0.323 19.192 19.000 -0.218 0.000 1.143 67 A HN 1.001 nan 8.150 nan 0.000 0.490 68 V N -0.490 119.494 119.914 0.117 0.000 2.863 68 V HA 0.450 4.570 4.120 -0.000 0.000 0.307 68 V C 0.081 176.272 176.094 0.161 0.000 1.061 68 V CA -0.945 61.427 62.300 0.119 0.000 1.024 68 V CB 1.416 33.282 31.823 0.070 0.000 1.049 68 V HN 0.644 nan 8.190 nan 0.000 0.471 69 D N 1.511 121.989 120.400 0.130 0.000 2.277 69 D HA 0.253 4.893 4.640 -0.000 0.000 0.249 69 D C 0.913 177.219 176.300 0.010 0.000 1.134 69 D CA -0.206 53.831 54.000 0.062 0.000 0.863 69 D CB 2.064 42.905 40.800 0.069 0.000 1.143 69 D HN 0.612 nan 8.370 nan 0.000 0.458 70 V N 1.750 121.638 119.914 -0.044 0.000 3.573 70 V HA -0.004 4.116 4.120 -0.000 0.000 0.270 70 V C 1.898 177.985 176.094 -0.012 0.000 1.221 70 V CA 0.381 62.667 62.300 -0.024 0.000 1.163 70 V CB -0.270 31.529 31.823 -0.041 0.000 0.847 70 V HN 0.438 nan 8.190 nan 0.000 0.468 71 T N 2.595 117.135 114.554 -0.022 0.000 2.939 71 T HA 0.015 4.365 4.350 -0.000 0.000 0.254 71 T C 1.413 176.144 174.700 0.052 0.000 1.041 71 T CA 1.770 63.867 62.100 -0.006 0.000 1.142 71 T CB -0.165 68.682 68.868 -0.035 0.000 0.874 71 T HN 0.818 nan 8.240 nan 0.000 0.452 72 N N 0.215 118.965 118.700 0.083 0.000 2.160 72 N HA 0.213 4.953 4.740 -0.000 0.000 0.226 72 N C -0.023 175.613 175.510 0.211 0.000 1.256 72 N CA -0.241 52.921 53.050 0.186 0.000 0.890 72 N CB 0.131 38.699 38.487 0.134 0.000 1.116 72 N HN -0.027 nan 8.380 nan 0.000 0.517 73 L N -0.781 120.503 121.223 0.101 0.000 3.898 73 L HA -0.165 4.175 4.340 -0.000 0.000 0.407 73 L C -0.074 176.801 176.870 0.008 0.000 1.207 73 L CA 0.136 54.991 54.840 0.025 0.000 0.931 73 L CB -2.397 39.617 42.059 -0.075 0.000 2.014 73 L HN 0.530 nan 8.230 nan 0.000 0.858 74 A N -0.951 121.891 122.820 0.037 0.000 2.303 74 A HA 0.732 5.052 4.320 -0.000 0.000 0.317 74 A C 0.277 177.888 177.584 0.044 0.000 1.149 74 A CA -0.318 51.727 52.037 0.014 0.000 0.822 74 A CB 1.182 20.191 19.000 0.015 0.000 1.131 74 A HN 0.153 nan 8.150 nan 0.000 0.493 75 V N 3.631 123.556 119.914 0.018 0.000 2.405 75 V HA 0.152 4.272 4.120 -0.000 0.000 0.264 75 V C 1.359 177.549 176.094 0.160 0.000 1.048 75 V CA 0.417 62.775 62.300 0.097 0.000 0.966 75 V CB 0.681 32.586 31.823 0.137 0.000 1.015 75 V HN 0.986 nan 8.190 nan 0.000 0.477 76 V N 2.250 122.259 119.914 0.158 0.000 3.608 76 V HA 0.748 4.868 4.120 -0.000 0.000 0.269 76 V C 0.634 176.766 176.094 0.064 0.000 1.245 76 V CA 0.943 63.334 62.300 0.151 0.000 1.138 76 V CB -0.359 31.524 31.823 0.100 0.000 0.841 76 V HN 1.244 nan 8.190 nan 0.000 0.451 77 A N -0.299 122.541 122.820 0.033 0.000 2.437 77 A HA 0.618 4.938 4.320 -0.000 0.000 0.296 77 A C -1.435 176.237 177.584 0.148 0.000 0.974 77 A CA -0.156 51.781 52.037 -0.166 0.000 0.592 77 A CB 0.129 18.469 19.000 -1.100 0.000 1.405 77 A HN 1.736 nan 8.150 nan 0.000 0.478 78 Y N -0.294 120.029 120.300 0.040 0.000 2.519 78 Y HA 0.824 5.374 4.550 -0.000 0.000 0.336 78 Y C -0.752 175.123 175.900 -0.041 0.000 1.089 78 Y CA -0.766 57.393 58.100 0.097 0.000 1.025 78 Y CB 1.238 39.725 38.460 0.045 0.000 1.318 78 Y HN 0.945 nan 8.280 nan 0.000 0.452 79 R N 2.677 122.927 120.500 -0.417 0.000 2.486 79 R HA 0.827 5.167 4.340 -0.000 0.000 0.286 79 R C -0.971 175.234 176.300 -0.159 0.000 0.999 79 R CA -0.241 55.484 56.100 -0.625 0.000 0.993 79 R CB 1.498 31.047 30.300 -1.251 0.000 1.084 79 R HN 1.058 nan 8.270 nan 0.000 0.487 80 A N 2.181 124.949 122.820 -0.087 0.000 3.308 80 A HA 0.421 4.741 4.320 -0.000 0.000 0.275 80 A C 0.564 178.160 177.584 0.019 0.000 0.950 80 A CA 0.193 52.266 52.037 0.059 0.000 0.987 80 A CB 0.232 19.355 19.000 0.204 0.000 1.146 80 A HN 1.016 nan 8.150 nan 0.000 0.488 81 G N 0.713 109.490 108.800 -0.038 0.000 4.526 81 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.217 81 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.217 81 G C 1.045 175.925 174.900 -0.034 0.000 1.428 81 G CA 0.990 46.075 45.100 -0.026 0.000 0.928 81 G HN 1.693 nan 8.290 nan 0.000 0.639 82 S N 0.574 116.263 115.700 -0.018 0.000 2.847 82 S HA 0.415 4.885 4.470 -0.000 0.000 0.254 82 S C -0.067 174.514 174.600 -0.032 0.000 1.039 82 S CA -0.047 58.140 58.200 -0.021 0.000 1.113 82 S CB 0.601 63.800 63.200 -0.002 0.000 1.092 82 S HN 0.670 nan 8.310 nan 0.000 0.620 83 N N 2.167 120.845 118.700 -0.037 0.000 2.310 83 N HA 0.496 5.236 4.740 -0.000 0.000 0.292 83 N C -1.257 174.113 175.510 -0.233 0.000 1.049 83 N CA -0.245 52.747 53.050 -0.096 0.000 0.849 83 N CB 2.362 40.864 38.487 0.025 0.000 1.532 83 N HN 0.319 nan 8.380 nan 0.000 0.479 84 S N 0.605 116.094 115.700 -0.353 0.000 2.607 84 S HA 0.739 5.209 4.470 -0.000 0.000 0.303 84 S C -1.333 172.970 174.600 -0.496 0.000 1.086 84 S CA -0.670 57.359 58.200 -0.286 0.000 0.995 84 S CB 1.261 64.547 63.200 0.144 0.000 1.084 84 S HN 0.449 nan 8.310 nan 0.000 0.507 85 Y N 0.410 120.558 120.300 -0.254 0.000 2.373 85 Y HA 0.507 5.057 4.550 -0.000 0.000 0.327 85 Y C -1.150 174.708 175.900 -0.070 0.000 1.036 85 Y CA -1.400 56.647 58.100 -0.089 0.000 1.265 85 Y CB 0.444 38.707 38.460 -0.328 0.000 1.108 85 Y HN 0.578 nan 8.280 nan 0.000 0.471 86 F N 2.320 122.259 119.950 -0.018 0.000 2.396 86 F HA 0.327 4.854 4.527 -0.000 0.000 0.343 86 F C 1.065 176.805 175.800 -0.099 0.000 1.104 86 F CA -0.942 57.041 58.000 -0.027 0.000 1.161 86 F CB 0.485 39.471 39.000 -0.023 0.000 1.146 86 F HN 0.420 nan 8.300 nan 0.000 0.522 87 H N 1.458 120.594 119.070 0.111 0.000 2.771 87 H HA 0.137 4.693 4.556 -0.000 0.000 0.364 87 H C 1.025 176.355 175.328 0.004 0.000 1.133 87 H CA 0.453 56.477 56.048 -0.041 0.000 1.423 87 H CB 1.070 30.806 29.762 -0.044 0.000 1.425 87 H HN 0.819 nan 8.280 nan 0.000 0.606 88 A N 2.958 125.818 122.820 0.068 0.000 1.986 88 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 88 A C 2.101 179.736 177.584 0.086 0.000 1.171 88 A CA 1.837 53.913 52.037 0.065 0.000 0.640 88 A CB -0.584 18.453 19.000 0.062 0.000 0.811 88 A HN 0.744 nan 8.150 nan 0.000 0.451 89 A N -0.874 122.010 122.820 0.106 0.000 2.291 89 A HA 0.576 4.895 4.320 -0.000 0.000 0.220 89 A C 1.001 178.648 177.584 0.105 0.000 1.262 89 A CA 0.524 52.614 52.037 0.089 0.000 0.867 89 A CB -0.994 18.049 19.000 0.071 0.000 0.888 89 A HN 0.962 nan 8.150 nan 0.000 0.487 90 A N 1.969 124.867 122.820 0.129 0.000 2.354 90 A HA 0.568 4.887 4.320 -0.000 0.000 0.281 90 A C -1.858 175.785 177.584 0.098 0.000 1.174 90 A CA -1.291 50.836 52.037 0.150 0.000 0.828 90 A CB -0.098 19.040 19.000 0.229 0.000 1.099 90 A HN 0.365 nan 8.150 nan 0.000 0.516 91 P HA 0.137 nan 4.420 nan 0.000 0.272 91 P C 1.206 178.521 177.300 0.024 0.000 1.230 91 P CA 0.276 63.416 63.100 0.066 0.000 0.788 91 P CB 0.663 32.420 31.700 0.094 0.000 0.949 92 G N 1.332 110.123 108.800 -0.015 0.000 2.514 92 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.217 92 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.217 92 G C 1.589 176.427 174.900 -0.102 0.000 1.198 92 G CA 1.348 46.408 45.100 -0.066 0.000 0.780 92 G HN 0.664 nan 8.290 nan 0.000 0.565 93 S N 0.358 116.001 115.700 -0.096 0.000 2.520 93 S HA -0.133 4.337 4.470 -0.000 0.000 0.249 93 S C 2.182 176.567 174.600 -0.358 0.000 0.983 93 S CA 1.873 59.945 58.200 -0.213 0.000 0.958 93 S CB -0.378 62.751 63.200 -0.117 0.000 0.750 93 S HN 0.467 nan 8.310 nan 0.000 0.527 94 S N 0.441 116.094 115.700 -0.080 0.000 2.458 94 S HA 0.207 4.677 4.470 -0.000 0.000 0.223 94 S C 1.735 176.368 174.600 0.056 0.000 1.019 94 S CA 0.118 58.343 58.200 0.042 0.000 0.937 94 S CB -0.337 62.920 63.200 0.096 0.000 0.788 94 S HN 0.534 nan 8.310 nan 0.000 0.511 95 L N 2.189 123.351 121.223 -0.102 0.000 2.131 95 L HA 0.092 4.432 4.340 -0.000 0.000 0.206 95 L C 2.671 179.463 176.870 -0.130 0.000 1.087 95 L CA 1.567 56.256 54.840 -0.251 0.000 0.767 95 L CB -1.732 40.029 42.059 -0.497 0.000 0.917 95 L HN 0.587 nan 8.230 nan 0.000 0.441 96 S N -0.257 115.343 115.700 -0.168 0.000 2.603 96 S HA -0.133 4.337 4.470 -0.000 0.000 0.229 96 S C 0.999 175.587 174.600 -0.021 0.000 0.972 96 S CA 0.424 58.546 58.200 -0.130 0.000 0.935 96 S CB -0.754 62.341 63.200 -0.175 0.000 0.769 96 S HN 0.819 nan 8.310 nan 0.000 0.536 97 H N -2.479 116.570 119.070 -0.035 0.000 3.553 97 H HA 0.404 4.960 4.556 -0.000 0.000 0.246 97 H C 0.217 175.482 175.328 -0.106 0.000 1.259 97 H CA -0.731 55.297 56.048 -0.033 0.000 1.055 97 H CB -0.511 29.258 29.762 0.010 0.000 2.978 97 H HN 0.216 nan 8.280 nan 0.000 0.648 98 L N 0.053 121.310 121.223 0.057 0.000 2.814 98 L HA 0.321 4.661 4.340 -0.000 0.000 0.182 98 L C -0.052 176.604 176.870 -0.357 0.000 1.386 98 L CA 0.388 55.040 54.840 -0.314 0.000 1.190 98 L CB -0.083 41.807 42.059 -0.283 0.000 1.399 98 L HN 0.209 nan 8.230 nan 0.000 0.685 99 F N 0.532 120.547 119.950 0.109 0.000 2.798 99 F HA 0.212 4.739 4.527 -0.000 0.000 0.333 99 F C 1.777 177.625 175.800 0.079 0.000 1.324 99 F CA -0.512 57.522 58.000 0.056 0.000 1.183 99 F CB -0.330 38.670 39.000 0.000 0.000 1.132 99 F HN 0.077 nan 8.300 nan 0.000 0.521 100 S N -0.272 115.536 115.700 0.180 0.000 2.387 100 S HA -0.274 4.196 4.470 -0.000 0.000 0.230 100 S C 1.977 176.614 174.600 0.062 0.000 1.035 100 S CA 0.964 59.219 58.200 0.092 0.000 1.014 100 S CB -0.381 62.852 63.200 0.055 0.000 0.836 100 S HN 0.567 nan 8.310 nan 0.000 0.466 101 R N 2.337 122.884 120.500 0.077 0.000 2.346 101 R HA 0.073 4.413 4.340 -0.000 0.000 0.208 101 R C 0.271 176.588 176.300 0.029 0.000 1.052 101 R CA 0.408 56.535 56.100 0.044 0.000 1.116 101 R CB -0.241 30.089 30.300 0.049 0.000 1.003 101 R HN 0.632 nan 8.270 nan 0.000 0.482 102 S N -1.802 113.918 115.700 0.034 0.000 2.751 102 S HA 0.369 4.839 4.470 -0.000 0.000 0.310 102 S C -0.368 174.188 174.600 -0.073 0.000 1.128 102 S CA -0.790 57.404 58.200 -0.010 0.000 0.931 102 S CB 2.039 65.241 63.200 0.003 0.000 1.177 102 S HN 0.033 nan 8.310 nan 0.000 0.530 103 S N 1.573 117.192 115.700 -0.134 0.000 2.642 103 S HA 0.285 4.755 4.470 -0.000 0.000 0.309 103 S C 0.024 174.307 174.600 -0.529 0.000 1.125 103 S CA -0.367 57.676 58.200 -0.262 0.000 1.055 103 S CB -0.094 62.991 63.200 -0.193 0.000 1.157 103 S HN 0.629 nan 8.310 nan 0.000 0.513 104 Q N 2.305 121.848 119.800 -0.428 0.000 2.479 104 Q HA 0.136 4.476 4.340 -0.000 0.000 0.267 104 Q C -0.059 175.463 176.000 -0.797 0.000 1.071 104 Q CA 0.911 56.455 55.803 -0.432 0.000 0.935 104 Q CB 0.385 28.890 28.738 -0.389 0.000 1.295 104 Q HN 0.641 nan 8.270 nan 0.000 0.476 105 H N -0.774 118.185 119.070 -0.186 0.000 3.014 105 H HA 0.437 4.992 4.556 -0.000 0.000 0.337 105 H C -1.236 174.059 175.328 -0.055 0.000 1.320 105 H CA -0.655 55.291 56.048 -0.169 0.000 1.128 105 H CB 1.809 31.380 29.762 -0.318 0.000 1.862 105 H HN 0.612 nan 8.280 nan 0.000 0.536 106 T N 1.997 116.620 114.554 0.115 0.000 2.886 106 T HA 0.491 4.841 4.350 -0.000 0.000 0.292 106 T C 0.331 175.070 174.700 0.065 0.000 1.012 106 T CA -0.761 61.383 62.100 0.072 0.000 0.982 106 T CB 1.595 70.468 68.868 0.008 0.000 1.018 106 T HN 0.189 nan 8.240 nan 0.000 0.451 107 L N 1.226 122.446 121.223 -0.004 0.000 2.416 107 L HA 0.634 4.974 4.340 -0.000 0.000 0.262 107 L C 1.546 178.381 176.870 -0.058 0.000 1.093 107 L CA -0.815 53.964 54.840 -0.103 0.000 0.801 107 L CB 0.693 42.476 42.059 -0.460 0.000 1.191 107 L HN 0.922 nan 8.230 nan 0.000 0.459 108 G N 0.677 109.512 108.800 0.059 0.000 3.314 108 G HA2 0.288 4.248 3.960 -0.000 0.000 0.238 108 G HA3 0.288 4.248 3.960 -0.000 0.000 0.238 108 G C -0.253 174.833 174.900 0.309 0.000 1.184 108 G CA 0.124 45.331 45.100 0.179 0.000 0.806 108 G HN 0.452 nan 8.290 nan 0.000 0.536 109 F N -1.619 118.412 119.950 0.136 0.000 2.741 109 F HA 0.615 5.142 4.527 -0.000 0.000 0.313 109 F C -1.202 174.733 175.800 0.225 0.000 1.153 109 F CA -1.959 56.131 58.000 0.149 0.000 0.931 109 F CB 0.693 39.775 39.000 0.137 0.000 1.335 109 F HN -0.111 nan 8.300 nan 0.000 0.460 110 D N -0.102 120.487 120.400 0.315 0.000 2.549 110 D HA 0.202 4.842 4.640 -0.000 0.000 0.270 110 D C -0.012 176.338 176.300 0.083 0.000 1.181 110 D CA -0.503 53.590 54.000 0.155 0.000 1.070 110 D CB 0.422 41.275 40.800 0.088 0.000 1.154 110 D HN 0.683 nan 8.370 nan 0.000 0.602 111 N N -1.194 117.336 118.700 -0.283 0.000 2.515 111 N HA -0.031 4.709 4.740 -0.000 0.000 0.191 111 N C 0.133 175.529 175.510 -0.189 0.000 1.182 111 N CA 0.012 52.809 53.050 -0.421 0.000 0.879 111 N CB -0.499 37.689 38.487 -0.499 0.000 0.984 111 N HN 0.324 nan 8.380 nan 0.000 0.453 112 T N -2.653 111.856 114.554 -0.074 0.000 2.868 112 T HA 0.087 4.437 4.350 -0.000 0.000 0.292 112 T C 0.510 175.213 174.700 0.004 0.000 1.028 112 T CA -0.443 61.597 62.100 -0.099 0.000 1.059 112 T CB 0.598 69.465 68.868 -0.002 0.000 0.991 112 T HN -0.029 nan 8.240 nan 0.000 0.531 113 Y N 1.250 121.584 120.300 0.056 0.000 2.286 113 Y HA 0.181 4.731 4.550 -0.000 0.000 0.293 113 Y C 2.761 178.679 175.900 0.030 0.000 1.124 113 Y CA 0.882 59.005 58.100 0.039 0.000 1.178 113 Y CB -1.233 37.247 38.460 0.033 0.000 1.010 113 Y HN 0.864 nan 8.280 nan 0.000 0.536 114 G N -0.648 108.267 108.800 0.190 0.000 2.479 114 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.220 114 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.220 114 G C 1.121 176.075 174.900 0.090 0.000 1.115 114 G CA 1.379 46.548 45.100 0.116 0.000 0.757 114 G HN 0.330 nan 8.290 nan 0.000 0.560 115 D N -0.034 120.434 120.400 0.113 0.000 2.232 115 D HA 0.065 4.705 4.640 -0.000 0.000 0.220 115 D C 2.632 178.944 176.300 0.020 0.000 0.982 115 D CA 0.522 54.594 54.000 0.121 0.000 0.892 115 D CB -0.059 40.881 40.800 0.234 0.000 1.040 115 D HN 0.190 nan 8.370 nan 0.000 0.463 116 M N 0.274 119.911 119.600 0.061 0.000 2.539 116 M HA -0.037 4.443 4.480 -0.000 0.000 0.261 116 M C 1.856 178.092 176.300 -0.107 0.000 1.069 116 M CA 0.850 56.080 55.300 -0.116 0.000 1.081 116 M CB 0.036 32.709 32.600 0.121 0.000 1.412 116 M HN 0.028 nan 8.290 nan 0.000 0.482 117 A N -0.177 122.633 122.820 -0.017 0.000 1.874 117 A HA -0.093 4.227 4.320 -0.000 0.000 0.214 117 A C 2.196 179.744 177.584 -0.061 0.000 1.189 117 A CA 0.869 52.890 52.037 -0.028 0.000 0.615 117 A CB -0.384 18.624 19.000 0.015 0.000 0.830 117 A HN 0.370 nan 8.150 nan 0.000 0.443 118 Q N -0.066 119.704 119.800 -0.049 0.000 2.077 118 Q HA -0.228 4.112 4.340 -0.000 0.000 0.206 118 Q C 2.429 178.370 176.000 -0.099 0.000 0.989 118 Q CA 1.728 57.501 55.803 -0.050 0.000 0.853 118 Q CB -0.654 28.073 28.738 -0.018 0.000 0.907 118 Q HN 0.638 nan 8.270 nan 0.000 0.418 119 A N 1.221 123.921 122.820 -0.200 0.000 1.827 119 A HA -0.153 4.167 4.320 -0.000 0.000 0.215 119 A C 2.365 179.837 177.584 -0.188 0.000 1.212 119 A CA 2.428 54.295 52.037 -0.283 0.000 0.624 119 A CB -1.300 17.286 19.000 -0.690 0.000 0.853 119 A HN 0.409 nan 8.150 nan 0.000 0.450 120 A N -2.125 120.579 122.820 -0.195 0.000 1.915 120 A HA 0.118 4.438 4.320 -0.000 0.000 0.220 120 A C 2.454 179.987 177.584 -0.084 0.000 1.198 120 A CA 2.863 54.827 52.037 -0.121 0.000 0.647 120 A CB -1.416 17.521 19.000 -0.105 0.000 0.825 120 A HN 2.414 nan 8.150 nan 0.000 0.456 121 G N -2.887 105.866 108.800 -0.077 0.000 2.157 121 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.239 121 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.239 121 G C 0.327 175.197 174.900 -0.048 0.000 0.982 121 G CA 0.955 46.023 45.100 -0.054 0.000 0.650 121 G HN 1.185 nan 8.290 nan 0.000 0.527 122 S N -0.541 115.125 115.700 -0.057 0.000 2.998 122 S HA 0.829 5.299 4.470 -0.000 0.000 0.323 122 S C -0.602 173.961 174.600 -0.062 0.000 1.141 122 S CA 0.345 58.511 58.200 -0.056 0.000 0.873 122 S CB 1.446 64.609 63.200 -0.061 0.000 1.315 122 S HN 1.436 nan 8.310 nan 0.000 0.637 123 N N -0.800 117.856 118.700 -0.073 0.000 3.127 123 N HA 0.315 5.055 4.740 -0.000 0.000 0.239 123 N C 0.067 175.504 175.510 -0.121 0.000 1.407 123 N CA -0.792 52.204 53.050 -0.089 0.000 0.891 123 N CB 0.203 38.648 38.487 -0.071 0.000 1.447 123 N HN 0.458 nan 8.380 nan 0.000 0.507 124 R N 0.138 120.537 120.500 -0.168 0.000 2.190 124 R HA -0.277 4.063 4.340 -0.000 0.000 0.255 124 R C 1.030 177.225 176.300 -0.175 0.000 1.143 124 R CA 2.034 58.010 56.100 -0.208 0.000 0.965 124 R CB -0.533 29.596 30.300 -0.286 0.000 0.889 124 R HN 0.582 nan 8.270 nan 0.000 0.448 125 K N 0.256 120.576 120.400 -0.133 0.000 2.283 125 K HA -0.003 4.317 4.320 -0.000 0.000 0.202 125 K C 1.136 177.674 176.600 -0.103 0.000 1.048 125 K CA 1.197 57.420 56.287 -0.107 0.000 0.948 125 K CB 0.278 32.736 32.500 -0.070 0.000 0.742 125 K HN 0.286 nan 8.250 nan 0.000 0.458 126 A N 0.635 123.395 122.820 -0.100 0.000 2.842 126 A HA 0.349 4.669 4.320 -0.000 0.000 0.298 126 A C -0.454 177.067 177.584 -0.105 0.000 1.293 126 A CA -0.347 51.637 52.037 -0.088 0.000 0.959 126 A CB -0.171 18.788 19.000 -0.067 0.000 1.119 126 A HN 0.134 nan 8.150 nan 0.000 0.564 127 I N 0.642 121.127 120.570 -0.142 0.000 2.529 127 I HA 0.275 4.445 4.170 -0.000 0.000 0.284 127 I C -2.913 173.073 176.117 -0.219 0.000 1.088 127 I CA -2.081 59.125 61.300 -0.156 0.000 1.062 127 I CB 2.626 40.535 38.000 -0.151 0.000 1.218 127 I HN 0.009 nan 8.210 nan 0.000 0.442 128 P HA 0.338 nan 4.420 nan 0.000 0.271 128 P C -0.982 176.177 177.300 -0.235 0.000 1.216 128 P CA 0.027 62.998 63.100 -0.215 0.000 0.776 128 P CB 0.700 32.330 31.700 -0.116 0.000 0.881 129 L N 1.548 122.584 121.223 -0.312 0.000 2.303 129 L HA 0.930 5.270 4.340 -0.000 0.000 0.256 129 L C 0.756 177.633 176.870 0.011 0.000 1.034 129 L CA -0.388 54.331 54.840 -0.202 0.000 0.832 129 L CB 1.955 43.807 42.059 -0.345 0.000 1.403 129 L HN 0.683 nan 8.230 nan 0.000 0.419 130 G N -0.652 108.164 108.800 0.025 0.000 2.315 130 G HA2 0.291 4.251 3.960 -0.000 0.000 0.296 130 G HA3 0.291 4.251 3.960 -0.000 0.000 0.296 130 G C 0.080 174.951 174.900 -0.049 0.000 1.289 130 G CA 0.078 45.190 45.100 0.021 0.000 0.996 130 G HN 0.840 nan 8.290 nan 0.000 0.487 131 A N -0.213 122.567 122.820 -0.066 0.000 1.855 131 A HA 0.489 4.809 4.320 -0.000 0.000 0.215 131 A C 2.220 179.777 177.584 -0.045 0.000 1.191 131 A CA 2.697 54.693 52.037 -0.068 0.000 0.613 131 A CB -0.922 18.039 19.000 -0.065 0.000 0.829 131 A HN 2.474 nan 8.150 nan 0.000 0.442 132 A N -1.129 121.671 122.820 -0.034 0.000 3.026 132 A HA 0.568 4.888 4.320 -0.000 0.000 0.272 132 A C 0.773 178.337 177.584 -0.033 0.000 1.782 132 A CA 0.881 52.901 52.037 -0.029 0.000 1.451 132 A CB -1.018 17.969 19.000 -0.022 0.000 1.081 132 A HN 1.548 nan 8.150 nan 0.000 0.611 133 A N 0.721 123.517 122.820 -0.039 0.000 1.889 133 A HA 0.212 4.532 4.320 -0.000 0.000 0.204 133 A C 0.976 178.531 177.584 -0.049 0.000 1.739 133 A CA 0.578 52.587 52.037 -0.048 0.000 1.589 133 A CB -0.713 18.253 19.000 -0.057 0.000 1.485 133 A HN 1.181 nan 8.150 nan 0.000 0.472 134 L N 0.464 121.659 121.223 -0.046 0.000 2.554 134 L HA 0.368 4.708 4.340 -0.000 0.000 0.226 134 L C 1.524 178.372 176.870 -0.037 0.000 1.137 134 L CA 2.246 57.061 54.840 -0.042 0.000 0.863 134 L CB -1.467 40.572 42.059 -0.034 0.000 0.985 134 L HN 0.477 nan 8.230 nan 0.000 0.451 135 E N 1.531 121.710 120.200 -0.036 0.000 2.051 135 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 135 E C 2.250 178.832 176.600 -0.031 0.000 0.991 135 E CA 1.781 58.163 56.400 -0.029 0.000 0.799 135 E CB -0.129 29.554 29.700 -0.028 0.000 0.748 135 E HN 0.648 nan 8.360 nan 0.000 0.449 136 S N -1.286 114.393 115.700 -0.035 0.000 2.503 136 S HA 0.152 4.622 4.470 -0.000 0.000 0.217 136 S C 2.072 176.645 174.600 -0.045 0.000 0.999 136 S CA 0.350 58.529 58.200 -0.036 0.000 0.914 136 S CB 0.102 63.281 63.200 -0.035 0.000 0.782 136 S HN 0.323 nan 8.310 nan 0.000 0.520 137 G N 2.716 111.486 108.800 -0.050 0.000 2.421 137 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.216 137 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.216 137 G C 1.345 176.200 174.900 -0.076 0.000 1.171 137 G CA 0.998 46.061 45.100 -0.062 0.000 0.775 137 G HN 0.485 nan 8.290 nan 0.000 0.543 138 I N 1.856 122.387 120.570 -0.064 0.000 2.315 138 I HA -0.072 4.098 4.170 -0.000 0.000 0.248 138 I C 3.212 179.295 176.117 -0.057 0.000 1.117 138 I CA 0.975 62.236 61.300 -0.067 0.000 1.404 138 I CB -1.294 36.682 38.000 -0.041 0.000 1.071 138 I HN 0.254 nan 8.210 nan 0.000 0.419 139 A N 0.605 123.399 122.820 -0.044 0.000 1.851 139 A HA -0.215 4.104 4.320 -0.000 0.000 0.216 139 A C 2.598 180.158 177.584 -0.040 0.000 1.195 139 A CA 2.325 54.342 52.037 -0.033 0.000 0.622 139 A CB -1.025 17.958 19.000 -0.028 0.000 0.831 139 A HN 0.390 nan 8.150 nan 0.000 0.444 140 S N -0.263 115.407 115.700 -0.051 0.000 2.392 140 S HA -0.155 4.315 4.470 -0.000 0.000 0.232 140 S C 1.837 176.393 174.600 -0.072 0.000 1.041 140 S CA 1.445 59.612 58.200 -0.055 0.000 1.026 140 S CB -0.432 62.731 63.200 -0.060 0.000 0.845 140 S HN 0.444 nan 8.310 nan 0.000 0.465 141 L N 1.225 122.385 121.223 -0.106 0.000 1.973 141 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 141 L C 2.437 179.297 176.870 -0.016 0.000 1.073 141 L CA 1.676 56.427 54.840 -0.148 0.000 0.746 141 L CB -1.213 40.670 42.059 -0.294 0.000 0.891 141 L HN 0.327 nan 8.230 nan 0.000 0.433 142 N N -0.257 118.442 118.700 -0.002 0.000 2.060 142 N HA -0.175 4.565 4.740 -0.000 0.000 0.195 142 N C 1.725 177.249 175.510 0.024 0.000 1.028 142 N CA 1.900 54.970 53.050 0.034 0.000 0.861 142 N CB 0.034 38.530 38.487 0.014 0.000 1.029 142 N HN 0.210 nan 8.380 nan 0.000 0.428 143 S N -0.937 114.762 115.700 -0.002 0.000 2.407 143 S HA 0.082 4.552 4.470 -0.000 0.000 0.192 143 S C 1.190 175.779 174.600 -0.018 0.000 1.169 143 S CA 0.944 59.141 58.200 -0.004 0.000 1.496 143 S CB -0.082 63.111 63.200 -0.012 0.000 0.918 143 S HN 0.366 nan 8.310 nan 0.000 0.388 144 K N -0.159 120.219 120.400 -0.037 0.000 1.741 144 K HA 0.312 4.632 4.320 -0.000 0.000 0.304 144 K C -0.295 176.272 176.600 -0.056 0.000 1.040 144 K CA -0.181 56.066 56.287 -0.066 0.000 0.487 144 K CB -1.180 31.295 32.500 -0.041 0.000 3.268 144 K HN 0.128 nan 8.250 nan 0.000 1.149 145 N N 1.485 120.168 118.700 -0.029 0.000 2.249 145 N HA -0.025 4.715 4.740 -0.000 0.000 0.213 145 N C -2.311 173.196 175.510 -0.005 0.000 1.340 145 N CA 0.702 53.749 53.050 -0.004 0.000 0.797 145 N CB -0.466 38.025 38.487 0.005 0.000 0.927 145 N HN 0.247 nan 8.380 nan 0.000 0.392 152 A N 1.734 124.559 122.820 0.007 0.000 1.873 152 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 152 A C 2.297 179.867 177.584 -0.023 0.000 1.193 152 A CA 2.339 54.358 52.037 -0.029 0.000 0.629 152 A CB -0.526 18.349 19.000 -0.208 0.000 0.826 152 A HN 0.538 nan 8.150 nan 0.000 0.447 153 R N -0.735 119.737 120.500 -0.048 0.000 2.081 153 R HA -0.112 4.228 4.340 -0.000 0.000 0.235 153 R C 2.284 178.560 176.300 -0.040 0.000 1.131 153 R CA 1.876 57.946 56.100 -0.050 0.000 0.960 153 R CB -0.675 29.589 30.300 -0.059 0.000 0.856 153 R HN 0.754 nan 8.270 nan 0.000 0.436 154 T N -0.835 113.693 114.554 -0.042 0.000 3.139 154 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 154 T C 1.514 176.191 174.700 -0.037 0.000 1.164 154 T CA 0.563 62.631 62.100 -0.053 0.000 1.075 154 T CB -0.003 68.819 68.868 -0.076 0.000 0.904 154 T HN -0.007 nan 8.240 nan 0.000 0.540 155 L N -0.554 120.673 121.223 0.008 0.000 2.354 155 L HA 0.411 4.751 4.340 -0.000 0.000 0.212 155 L C 2.181 179.098 176.870 0.079 0.000 1.091 155 L CA 0.912 55.792 54.840 0.065 0.000 0.828 155 L CB -0.810 41.354 42.059 0.176 0.000 0.973 155 L HN 0.207 nan 8.230 nan 0.000 0.461 156 M N -1.130 118.492 119.600 0.037 0.000 2.077 156 M HA -0.003 4.477 4.480 -0.000 0.000 0.261 156 M C 1.776 178.056 176.300 -0.033 0.000 1.070 156 M CA 1.197 56.495 55.300 -0.003 0.000 1.125 156 M CB -1.043 31.516 32.600 -0.067 0.000 1.339 156 M HN -0.060 nan 8.290 nan 0.000 0.409 157 V N 1.108 120.992 119.914 -0.049 0.000 3.350 157 V HA 0.035 4.155 4.120 -0.000 0.000 0.354 157 V C 0.837 176.912 176.094 -0.031 0.000 1.257 157 V CA 0.321 62.584 62.300 -0.061 0.000 1.323 157 V CB -0.583 31.189 31.823 -0.083 0.000 1.201 157 V HN 0.230 nan 8.190 nan 0.000 0.447 158 I N -1.056 119.513 120.570 -0.003 0.000 4.147 158 I HA 0.180 4.350 4.170 -0.000 0.000 0.278 158 I C 1.829 177.971 176.117 0.042 0.000 1.133 158 I CA 0.799 62.105 61.300 0.009 0.000 1.317 158 I CB -0.311 37.681 38.000 -0.013 0.000 1.688 158 I HN 0.131 nan 8.210 nan 0.000 0.432 159 I N 0.796 121.408 120.570 0.070 0.000 2.226 159 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 159 I C 2.415 178.595 176.117 0.106 0.000 1.100 159 I CA 1.520 62.880 61.300 0.099 0.000 1.374 159 I CB -0.229 37.868 38.000 0.161 0.000 1.057 159 I HN 0.354 nan 8.210 nan 0.000 0.413 160 Q N 0.183 120.043 119.800 0.100 0.000 2.123 160 Q HA -0.120 4.220 4.340 -0.000 0.000 0.199 160 Q C 2.351 178.396 176.000 0.075 0.000 0.966 160 Q CA 1.283 57.133 55.803 0.077 0.000 0.845 160 Q CB 0.098 28.832 28.738 -0.008 0.000 0.907 160 Q HN 0.497 nan 8.270 nan 0.000 0.439 161 M N -0.586 119.050 119.600 0.060 0.000 2.419 161 M HA -0.077 4.403 4.480 -0.000 0.000 0.264 161 M C 1.567 177.952 176.300 0.142 0.000 1.082 161 M CA 0.892 56.243 55.300 0.085 0.000 1.119 161 M CB 0.304 32.925 32.600 0.035 0.000 1.398 161 M HN 0.244 nan 8.290 nan 0.000 0.453 162 L N -1.730 119.555 121.223 0.103 0.000 2.515 162 L HA 0.056 4.396 4.340 -0.000 0.000 0.202 162 L C 1.888 178.787 176.870 0.049 0.000 1.056 162 L CA 0.107 55.005 54.840 0.097 0.000 0.847 162 L CB 0.417 42.520 42.059 0.072 0.000 1.131 162 L HN -0.105 nan 8.230 nan 0.000 0.484 163 V N -0.917 119.015 119.914 0.031 0.000 2.426 163 V HA -0.075 4.044 4.120 -0.000 0.000 0.242 163 V C 1.787 177.842 176.094 -0.066 0.000 1.036 163 V CA 1.039 63.324 62.300 -0.026 0.000 1.044 163 V CB 0.087 31.893 31.823 -0.028 0.000 0.688 163 V HN 0.272 nan 8.190 nan 0.000 0.462 164 E N 0.219 120.423 120.200 0.007 0.000 2.526 164 E HA 0.070 4.420 4.350 -0.000 0.000 0.198 164 E C 1.586 178.248 176.600 0.102 0.000 1.091 164 E CA 0.703 57.126 56.400 0.039 0.000 0.880 164 E CB -0.006 29.789 29.700 0.159 0.000 0.873 164 E HN 0.555 nan 8.360 nan 0.000 0.527 165 A N -0.748 122.112 122.820 0.067 0.000 2.288 165 A HA 0.444 4.764 4.320 -0.000 0.000 0.216 165 A C 1.945 179.541 177.584 0.021 0.000 1.199 165 A CA 0.601 52.701 52.037 0.105 0.000 0.891 165 A CB 0.255 19.351 19.000 0.160 0.000 0.923 165 A HN 0.245 nan 8.150 nan 0.000 0.500 166 A N 0.609 123.392 122.820 -0.062 0.000 2.030 166 A HA 0.042 4.362 4.320 -0.000 0.000 0.215 166 A C 2.082 179.564 177.584 -0.170 0.000 1.164 166 A CA 0.709 52.684 52.037 -0.103 0.000 0.697 166 A CB -0.216 18.720 19.000 -0.107 0.000 0.827 166 A HN 0.470 nan 8.150 nan 0.000 0.457 167 R N -1.527 118.775 120.500 -0.330 0.000 2.161 167 R HA 0.151 4.491 4.340 -0.000 0.000 0.213 167 R C -0.782 175.116 176.300 -0.670 0.000 1.055 167 R CA 0.439 56.167 56.100 -0.620 0.000 0.996 167 R CB -0.154 29.396 30.300 -1.252 0.000 0.901 167 R HN 0.420 nan 8.270 nan 0.000 0.456 168 F N 0.368 120.319 119.950 0.001 0.000 2.507 168 F HA 0.450 4.977 4.527 -0.000 0.000 0.328 168 F C 1.240 177.098 175.800 0.097 0.000 1.136 168 F CA -1.309 56.742 58.000 0.084 0.000 0.930 168 F CB 1.842 40.918 39.000 0.127 0.000 1.166 168 F HN -0.363 nan 8.300 nan 0.000 0.436 169 R N 0.984 121.645 120.500 0.268 0.000 2.152 169 R HA -0.199 4.141 4.340 -0.000 0.000 0.232 169 R C 1.656 178.091 176.300 0.225 0.000 1.117 169 R CA 1.344 57.555 56.100 0.185 0.000 0.981 169 R CB -0.257 30.133 30.300 0.149 0.000 0.870 169 R HN 0.761 nan 8.270 nan 0.000 0.451 170 Y N 0.449 120.843 120.300 0.156 0.000 2.242 170 Y HA -0.110 4.440 4.550 -0.000 0.000 0.291 170 Y C 1.658 177.620 175.900 0.104 0.000 1.137 170 Y CA 1.399 59.561 58.100 0.104 0.000 1.181 170 Y CB 0.089 38.591 38.460 0.071 0.000 0.989 170 Y HN -0.015 nan 8.280 nan 0.000 0.527 171 I N 0.548 121.226 120.570 0.180 0.000 2.761 171 I HA -0.209 3.961 4.170 -0.000 0.000 0.261 171 I C 2.260 178.434 176.117 0.095 0.000 1.198 171 I CA 1.318 62.673 61.300 0.092 0.000 1.482 171 I CB -0.431 37.703 38.000 0.223 0.000 1.100 171 I HN 0.409 nan 8.210 nan 0.000 0.445 172 Q N 1.081 120.957 119.800 0.126 0.000 2.137 172 Q HA -0.184 4.156 4.340 -0.000 0.000 0.198 172 Q C 1.575 177.653 176.000 0.129 0.000 0.960 172 Q CA 1.769 57.676 55.803 0.172 0.000 0.847 172 Q CB -0.343 28.452 28.738 0.096 0.000 0.915 172 Q HN 0.306 nan 8.270 nan 0.000 0.448 173 N N -0.355 118.356 118.700 0.017 0.000 2.521 173 N HA 0.042 4.782 4.740 -0.000 0.000 0.188 173 N C 0.781 176.182 175.510 -0.182 0.000 1.146 173 N CA 0.594 53.614 53.050 -0.051 0.000 0.893 173 N CB 0.121 38.578 38.487 -0.050 0.000 0.975 173 N HN 0.415 nan 8.380 nan 0.000 0.451 174 N N -1.622 116.945 118.700 -0.222 0.000 2.436 174 N HA 0.035 4.775 4.740 -0.000 0.000 0.178 174 N C 0.847 176.172 175.510 -0.308 0.000 1.026 174 N CA 0.286 53.111 53.050 -0.374 0.000 0.880 174 N CB 0.527 38.849 38.487 -0.274 0.000 1.061 174 N HN -0.020 nan 8.380 nan 0.000 0.434 175 V N 0.673 120.564 119.914 -0.040 0.000 3.461 175 V HA -0.056 4.064 4.120 -0.000 0.000 0.267 175 V C 1.209 177.208 176.094 -0.158 0.000 1.186 175 V CA 1.204 63.496 62.300 -0.013 0.000 1.154 175 V CB -0.042 31.815 31.823 0.057 0.000 0.802 175 V HN 0.260 nan 8.190 nan 0.000 0.474 176 D N -0.130 120.237 120.400 -0.056 0.000 2.369 176 D HA -0.015 4.625 4.640 -0.000 0.000 0.231 176 D C 1.994 178.246 176.300 -0.080 0.000 0.967 176 D CA 0.782 54.778 54.000 -0.007 0.000 0.905 176 D CB 0.387 41.272 40.800 0.142 0.000 1.044 176 D HN 0.187 nan 8.370 nan 0.000 0.487 177 V N 0.534 120.369 119.914 -0.132 0.000 3.078 177 V HA -0.116 4.004 4.120 -0.000 0.000 0.265 177 V C 2.402 178.383 176.094 -0.188 0.000 1.122 177 V CA 1.308 63.515 62.300 -0.154 0.000 1.141 177 V CB -0.162 31.544 31.823 -0.196 0.000 0.735 177 V HN 0.137 nan 8.190 nan 0.000 0.498 178 S N 0.032 115.596 115.700 -0.227 0.000 2.325 178 S HA -0.048 4.422 4.470 -0.000 0.000 0.214 178 S C 1.875 176.408 174.600 -0.112 0.000 1.031 178 S CA 1.240 59.326 58.200 -0.191 0.000 0.972 178 S CB -0.213 62.898 63.200 -0.148 0.000 0.908 178 S HN 0.504 nan 8.310 nan 0.000 0.453 179 I N 1.856 122.356 120.570 -0.117 0.000 2.300 179 I HA -0.217 3.953 4.170 -0.000 0.000 0.252 179 I C 2.580 178.658 176.117 -0.064 0.000 1.119 179 I CA 1.399 62.643 61.300 -0.093 0.000 1.384 179 I CB -0.431 37.500 38.000 -0.115 0.000 1.062 179 I HN 0.493 nan 8.210 nan 0.000 0.426 180 E N 1.135 121.294 120.200 -0.068 0.000 1.993 180 E HA -0.212 4.138 4.350 -0.000 0.000 0.198 180 E C 1.959 178.528 176.600 -0.051 0.000 0.999 180 E CA 2.195 58.564 56.400 -0.052 0.000 0.850 180 E CB -0.165 29.500 29.700 -0.057 0.000 0.796 180 E HN 0.326 nan 8.360 nan 0.000 0.482 181 T N 0.724 115.239 114.554 -0.065 0.000 2.969 181 T HA -0.198 4.152 4.350 -0.000 0.000 0.271 181 T C 0.831 175.506 174.700 -0.042 0.000 1.127 181 T CA 1.253 63.320 62.100 -0.055 0.000 1.102 181 T CB -0.300 68.526 68.868 -0.070 0.000 0.855 181 T HN 0.416 nan 8.240 nan 0.000 0.536 182 Q N 0.368 120.142 119.800 -0.043 0.000 2.502 182 Q HA -0.200 4.140 4.340 -0.000 0.000 0.273 182 Q C 0.113 176.100 176.000 -0.022 0.000 1.127 182 Q CA 0.570 56.354 55.803 -0.031 0.000 0.952 182 Q CB -1.409 27.314 28.738 -0.025 0.000 1.333 182 Q HN 0.742 nan 8.270 nan 0.000 0.494 183 S N -1.907 113.781 115.700 -0.021 0.000 2.837 183 S HA 0.976 5.446 4.470 -0.000 0.000 0.314 183 S C -0.155 174.464 174.600 0.032 0.000 1.098 183 S CA -0.548 57.652 58.200 0.001 0.000 0.903 183 S CB 2.059 65.259 63.200 -0.001 0.000 1.310 183 S HN 0.604 nan 8.310 nan 0.000 0.581 184 A N 0.038 122.897 122.820 0.064 0.000 2.387 184 A HA 0.978 5.298 4.320 -0.000 0.000 0.303 184 A C -0.971 176.749 177.584 0.227 0.000 1.145 184 A CA -0.841 51.264 52.037 0.113 0.000 0.801 184 A CB 0.976 20.000 19.000 0.040 0.000 1.342 184 A HN 1.779 nan 8.150 nan 0.000 0.440 185 F N -2.163 117.755 119.950 -0.053 0.000 2.770 185 F HA 0.767 5.294 4.527 0.000 0.000 0.313 185 F C -0.617 175.152 175.800 -0.052 0.000 1.154 185 F CA -0.569 57.401 58.000 -0.050 0.000 0.923 185 F CB 0.598 39.565 39.000 -0.055 0.000 1.301 185 F HN 1.085 nan 8.300 nan 0.000 0.449 186 A N 1.217 123.787 122.820 -0.417 0.000 2.322 186 A HA 0.923 5.243 4.320 -0.000 0.000 0.327 186 A C -0.706 176.575 177.584 -0.506 0.000 1.134 186 A CA -0.691 51.043 52.037 -0.505 0.000 0.831 186 A CB 0.861 19.734 19.000 -0.210 0.000 1.288 186 A HN 1.891 nan 8.150 nan 0.000 0.472 187 A N 1.648 124.242 122.820 -0.377 0.000 2.396 187 A HA 0.503 4.823 4.320 -0.000 0.000 0.279 187 A C 0.045 177.600 177.584 -0.049 0.000 1.165 187 A CA -0.328 51.604 52.037 -0.175 0.000 0.824 187 A CB -0.615 18.279 19.000 -0.177 0.000 1.100 187 A HN 0.836 nan 8.150 nan 0.000 0.516 188 D N 2.575 123.007 120.400 0.053 0.000 2.376 188 D HA 0.376 5.016 4.640 -0.000 0.000 0.268 188 D C 1.178 177.500 176.300 0.037 0.000 1.252 188 D CA 0.064 54.096 54.000 0.055 0.000 1.041 188 D CB 0.181 41.041 40.800 0.099 0.000 1.109 188 D HN 0.340 nan 8.370 nan 0.000 0.552 189 A N -0.916 121.924 122.820 0.033 0.000 2.119 189 A HA 0.223 4.542 4.320 -0.000 0.000 0.217 189 A C 2.000 179.595 177.584 0.019 0.000 1.153 189 A CA 1.470 53.516 52.037 0.016 0.000 0.692 189 A CB -1.047 17.958 19.000 0.009 0.000 0.799 189 A HN 0.576 nan 8.150 nan 0.000 0.458 190 A N 0.424 123.280 122.820 0.060 0.000 1.855 190 A HA -0.098 4.222 4.320 -0.000 0.000 0.215 190 A C 2.222 179.847 177.584 0.067 0.000 1.191 190 A CA 1.721 53.796 52.037 0.064 0.000 0.613 190 A CB -0.541 18.585 19.000 0.210 0.000 0.829 190 A HN 0.549 nan 8.150 nan 0.000 0.442 191 M N -0.509 119.184 119.600 0.154 0.000 2.200 191 M HA -0.007 4.473 4.480 -0.000 0.000 0.265 191 M C 1.888 178.188 176.300 0.000 0.000 1.066 191 M CA 0.918 56.281 55.300 0.105 0.000 1.127 191 M CB -0.630 32.047 32.600 0.129 0.000 1.379 191 M HN 0.226 nan 8.290 nan 0.000 0.420 192 I N 1.383 121.952 120.570 -0.003 0.000 2.142 192 I HA -0.225 3.945 4.170 -0.000 0.000 0.240 192 I C 2.950 179.068 176.117 0.002 0.000 1.078 192 I CA 2.090 63.382 61.300 -0.014 0.000 1.343 192 I CB -1.704 36.282 38.000 -0.022 0.000 1.046 192 I HN 0.404 nan 8.210 nan 0.000 0.405 193 S N 1.459 117.149 115.700 -0.017 0.000 2.359 193 S HA -0.193 4.277 4.470 -0.000 0.000 0.224 193 S C 2.138 176.713 174.600 -0.043 0.000 1.035 193 S CA 1.066 59.256 58.200 -0.017 0.000 1.018 193 S CB -1.003 62.175 63.200 -0.035 0.000 0.876 193 S HN 0.295 nan 8.310 nan 0.000 0.448 194 L N 1.881 123.007 121.223 -0.161 0.000 2.012 194 L HA -0.061 4.279 4.340 -0.000 0.000 0.210 194 L C 2.894 179.631 176.870 -0.222 0.000 1.073 194 L CA 2.041 56.641 54.840 -0.400 0.000 0.748 194 L CB -0.689 40.882 42.059 -0.814 0.000 0.891 194 L HN 0.407 nan 8.230 nan 0.000 0.431 195 E N -0.570 119.606 120.200 -0.041 0.000 2.038 195 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 195 E C 1.646 178.456 176.600 0.349 0.000 1.000 195 E CA 1.606 58.166 56.400 0.267 0.000 0.803 195 E CB -0.214 29.624 29.700 0.231 0.000 0.750 195 E HN 0.513 nan 8.360 nan 0.000 0.448 196 N N 0.561 119.406 118.700 0.241 0.000 2.515 196 N HA -0.023 4.717 4.740 -0.000 0.000 0.185 196 N C 0.490 176.125 175.510 0.207 0.000 1.109 196 N CA 0.344 53.532 53.050 0.230 0.000 0.903 196 N CB 0.233 38.821 38.487 0.167 0.000 0.969 196 N HN 0.053 nan 8.380 nan 0.000 0.450 197 N N -0.838 117.994 118.700 0.220 0.000 2.273 197 N HA 0.022 4.762 4.740 -0.000 0.000 0.231 197 N C 0.359 176.048 175.510 0.299 0.000 1.134 197 N CA -0.149 53.015 53.050 0.190 0.000 0.856 197 N CB 0.061 38.623 38.487 0.126 0.000 1.068 197 N HN 0.352 nan 8.380 nan 0.000 0.510 198 W N 1.727 123.155 121.300 0.212 0.000 2.518 198 W HA 0.160 4.820 4.660 -0.000 0.000 0.273 198 W C 1.892 178.467 176.519 0.093 0.000 1.247 198 W CA 0.749 58.237 57.345 0.239 0.000 1.288 198 W CB 0.042 29.654 29.460 0.253 0.000 1.107 198 W HN 0.079 nan 8.180 nan 0.000 0.586 199 A N -0.091 122.717 122.820 -0.020 0.000 1.935 199 A HA -0.108 4.212 4.320 -0.000 0.000 0.214 199 A C 2.009 179.483 177.584 -0.184 0.000 1.178 199 A CA 1.424 53.341 52.037 -0.200 0.000 0.640 199 A CB -0.779 18.179 19.000 -0.070 0.000 0.825 199 A HN 0.288 nan 8.150 nan 0.000 0.447 200 N N 0.233 118.879 118.700 -0.090 0.000 2.062 200 N HA -0.092 4.648 4.740 -0.000 0.000 0.191 200 N C 1.824 177.217 175.510 -0.195 0.000 1.042 200 N CA 1.264 54.246 53.050 -0.114 0.000 0.845 200 N CB -0.458 38.002 38.487 -0.045 0.000 1.024 200 N HN 0.454 nan 8.380 nan 0.000 0.424 201 L N 1.172 122.328 121.223 -0.111 0.000 1.980 201 L HA -0.347 3.992 4.340 -0.000 0.000 0.232 201 L C 2.267 178.979 176.870 -0.264 0.000 1.092 201 L CA 1.815 56.585 54.840 -0.116 0.000 0.808 201 L CB -0.722 41.404 42.059 0.111 0.000 0.908 201 L HN 0.196 nan 8.230 nan 0.000 0.442 202 S N -0.265 115.282 115.700 -0.254 0.000 2.389 202 S HA -0.345 4.125 4.470 -0.000 0.000 0.229 202 S C 1.994 176.431 174.600 -0.272 0.000 1.048 202 S CA 1.648 59.679 58.200 -0.282 0.000 1.117 202 S CB -0.860 62.078 63.200 -0.436 0.000 1.020 202 S HN 0.670 nan 8.310 nan 0.000 0.430 203 A N 1.371 124.024 122.820 -0.278 0.000 1.903 203 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 203 A C 2.208 179.622 177.584 -0.284 0.000 1.191 203 A CA 1.746 53.642 52.037 -0.234 0.000 0.638 203 A CB -0.964 17.917 19.000 -0.198 0.000 0.823 203 A HN 0.470 nan 8.150 nan 0.000 0.451 204 L N -0.326 120.628 121.223 -0.449 0.000 2.201 204 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 204 L C 2.481 178.860 176.870 -0.819 0.000 1.105 204 L CA 1.362 55.748 54.840 -0.757 0.000 0.775 204 L CB -0.198 41.095 42.059 -1.278 0.000 0.913 204 L HN 0.507 nan 8.230 nan 0.000 0.440 205 V N -3.577 116.026 119.914 -0.518 0.000 3.506 205 V HA -0.061 4.059 4.120 -0.000 0.000 0.263 205 V C 1.723 177.820 176.094 0.004 0.000 1.203 205 V CA 0.816 63.078 62.300 -0.063 0.000 1.133 205 V CB 0.355 32.237 31.823 0.100 0.000 0.802 205 V HN 0.423 nan 8.190 nan 0.000 0.459 206 Q N 0.710 120.456 119.800 -0.089 0.000 2.390 206 Q HA 0.304 4.644 4.340 -0.000 0.000 0.216 206 Q C 2.164 178.132 176.000 -0.055 0.000 0.916 206 Q CA 0.924 56.688 55.803 -0.065 0.000 0.911 206 Q CB 0.066 28.748 28.738 -0.093 0.000 1.035 206 Q HN 0.672 nan 8.270 nan 0.000 0.541 207 G N 0.457 109.209 108.800 -0.079 0.000 2.572 207 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.216 207 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.216 207 G C 0.760 175.658 174.900 -0.004 0.000 1.133 207 G CA 0.660 45.729 45.100 -0.052 0.000 0.791 207 G HN 0.315 nan 8.290 nan 0.000 0.538 208 S N -0.024 115.693 115.700 0.027 0.000 3.681 208 S HA 0.533 5.003 4.470 -0.000 0.000 0.203 208 S C 0.015 174.691 174.600 0.126 0.000 1.408 208 S CA -0.499 57.774 58.200 0.122 0.000 0.942 208 S CB 0.712 64.081 63.200 0.281 0.000 1.437 208 S HN -0.102 nan 8.310 nan 0.000 0.482 209 S N 2.899 118.641 115.700 0.070 0.000 2.252 209 S HA 0.273 4.743 4.470 -0.000 0.000 0.180 209 S C -0.040 174.592 174.600 0.054 0.000 1.534 209 S CA -0.776 57.453 58.200 0.049 0.000 1.141 209 S CB 0.257 63.456 63.200 -0.002 0.000 1.122 209 S HN 0.881 nan 8.310 nan 0.000 0.475 210 Q N 0.472 120.356 119.800 0.141 0.000 2.943 210 Q HA 0.554 4.894 4.340 -0.000 0.000 0.327 210 Q C 0.414 176.582 176.000 0.280 0.000 0.937 210 Q CA -0.814 55.102 55.803 0.188 0.000 0.914 210 Q CB 0.262 29.094 28.738 0.156 0.000 1.339 210 Q HN 0.469 nan 8.270 nan 0.000 0.417 211 G N 1.054 109.997 108.800 0.238 0.000 2.140 211 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.211 211 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.211 211 G C -0.117 174.876 174.900 0.156 0.000 1.013 211 G CA 0.165 45.308 45.100 0.071 0.000 0.705 211 G HN 0.998 nan 8.290 nan 0.000 0.508 212 T N -1.650 113.012 114.554 0.180 0.000 3.109 212 T HA 0.681 5.031 4.350 -0.000 0.000 0.311 212 T C 0.272 175.131 174.700 0.265 0.000 1.011 212 T CA -0.828 61.352 62.100 0.134 0.000 1.026 212 T CB 1.304 70.253 68.868 0.136 0.000 1.047 212 T HN 0.402 nan 8.240 nan 0.000 0.448 213 F N 2.381 122.368 119.950 0.061 0.000 2.228 213 F HA 0.627 5.154 4.527 0.000 0.000 0.280 213 F C 1.888 177.709 175.800 0.035 0.000 1.235 213 F CA -0.752 57.271 58.000 0.038 0.000 1.235 213 F CB -0.364 38.652 39.000 0.027 0.000 1.506 213 F HN 0.794 nan 8.300 nan 0.000 0.502 214 A N -0.967 121.999 122.820 0.244 0.000 2.324 214 A HA 0.438 4.758 4.320 -0.000 0.000 0.220 214 A C 0.285 177.935 177.584 0.110 0.000 1.209 214 A CA 0.309 52.424 52.037 0.130 0.000 0.918 214 A CB -0.167 18.877 19.000 0.074 0.000 0.959 214 A HN 0.465 nan 8.150 nan 0.000 0.507 215 S N -1.362 114.425 115.700 0.144 0.000 2.794 215 S HA 0.584 5.053 4.470 -0.000 0.000 0.299 215 S C -0.546 174.135 174.600 0.134 0.000 1.179 215 S CA -0.564 57.699 58.200 0.106 0.000 0.838 215 S CB 1.549 64.792 63.200 0.071 0.000 1.206 215 S HN 0.061 nan 8.310 nan 0.000 0.523 216 S N 1.347 117.098 115.700 0.085 0.000 2.461 216 S HA 0.652 5.122 4.470 -0.000 0.000 0.322 216 S C -0.175 174.465 174.600 0.066 0.000 1.063 216 S CA -0.578 57.661 58.200 0.065 0.000 1.120 216 S CB 0.733 63.946 63.200 0.021 0.000 0.968 216 S HN 0.862 nan 8.310 nan 0.000 0.467 217 A N 3.424 126.306 122.820 0.103 0.000 2.362 217 A HA 0.552 4.872 4.320 -0.000 0.000 0.276 217 A C 0.402 178.004 177.584 0.030 0.000 1.153 217 A CA -0.385 51.703 52.037 0.085 0.000 0.813 217 A CB 0.039 19.127 19.000 0.147 0.000 1.081 217 A HN 0.582 nan 8.150 nan 0.000 0.507 218 T N 3.996 118.559 114.554 0.015 0.000 2.744 218 T HA 0.553 4.903 4.350 -0.000 0.000 0.291 218 T C -0.236 174.452 174.700 -0.020 0.000 0.957 218 T CA 0.013 62.106 62.100 -0.011 0.000 1.002 218 T CB 0.057 68.921 68.868 -0.007 0.000 0.919 218 T HN 0.460 nan 8.240 nan 0.000 0.468 219 L N 2.617 123.811 121.223 -0.047 0.000 2.354 219 L HA 0.637 4.976 4.340 -0.000 0.000 0.269 219 L C -0.148 176.676 176.870 -0.076 0.000 1.005 219 L CA -1.263 53.534 54.840 -0.072 0.000 0.819 219 L CB 1.827 43.821 42.059 -0.109 0.000 1.311 219 L HN 0.378 nan 8.230 nan 0.000 0.423 220 Q N 1.641 121.398 119.800 -0.072 0.000 2.235 220 Q HA 0.320 4.660 4.340 -0.000 0.000 0.256 220 Q C -0.362 175.597 176.000 -0.068 0.000 0.951 220 Q CA -0.606 55.166 55.803 -0.052 0.000 0.890 220 Q CB 1.690 30.414 28.738 -0.022 0.000 1.279 220 Q HN 0.659 nan 8.270 nan 0.000 0.444 221 N N 0.502 119.175 118.700 -0.046 0.000 2.366 221 N HA 0.196 4.935 4.740 -0.000 0.000 0.277 221 N C 0.152 175.678 175.510 0.027 0.000 1.275 221 N CA 0.150 53.179 53.050 -0.035 0.000 0.964 221 N CB 0.197 38.671 38.487 -0.022 0.000 1.167 221 N HN 0.536 nan 8.380 nan 0.000 0.568 222 A N -0.743 122.120 122.820 0.071 0.000 2.067 222 A HA -0.126 4.193 4.320 -0.000 0.000 0.219 222 A C 1.083 178.700 177.584 0.056 0.000 1.158 222 A CA 0.977 53.074 52.037 0.100 0.000 0.661 222 A CB -0.706 18.362 19.000 0.113 0.000 0.801 222 A HN 0.793 nan 8.150 nan 0.000 0.452 223 E N -0.133 120.088 120.200 0.035 0.000 2.368 223 E HA 0.174 4.524 4.350 -0.000 0.000 0.188 223 E C -0.785 175.824 176.600 0.016 0.000 1.061 223 E CA 0.139 56.552 56.400 0.022 0.000 0.933 223 E CB -0.339 29.371 29.700 0.015 0.000 1.091 223 E HN 0.473 nan 8.360 nan 0.000 0.458 224 D N 1.692 122.104 120.400 0.019 0.000 2.751 224 D HA -0.175 4.465 4.640 -0.000 0.000 0.233 224 D C -0.809 175.492 176.300 0.002 0.000 1.149 224 D CA 0.980 54.987 54.000 0.011 0.000 0.682 224 D CB -0.776 40.031 40.800 0.012 0.000 1.068 224 D HN 0.338 nan 8.370 nan 0.000 0.429 225 E N 0.141 120.340 120.200 -0.003 0.000 2.115 225 E HA 0.327 4.677 4.350 -0.000 0.000 0.282 225 E C -2.361 174.228 176.600 -0.019 0.000 0.987 225 E CA -2.121 54.274 56.400 -0.009 0.000 0.797 225 E CB 1.025 30.720 29.700 -0.008 0.000 1.086 225 E HN 0.008 nan 8.360 nan 0.000 0.397 226 P HA 0.028 nan 4.420 nan 0.000 0.267 226 P C -0.840 176.440 177.300 -0.035 0.000 1.205 226 P CA 0.218 63.303 63.100 -0.024 0.000 0.765 226 P CB 0.485 32.175 31.700 -0.017 0.000 0.828 227 I N 4.379 124.919 120.570 -0.049 0.000 2.436 227 I HA 0.296 4.466 4.170 -0.000 0.000 0.289 227 I C 0.310 176.380 176.117 -0.079 0.000 1.010 227 I CA -0.703 60.555 61.300 -0.069 0.000 1.098 227 I CB 1.215 39.162 38.000 -0.088 0.000 1.266 227 I HN 0.259 nan 8.210 nan 0.000 0.434 228 I N 6.177 126.694 120.570 -0.088 0.000 2.316 228 I HA 0.390 4.560 4.170 -0.000 0.000 0.286 228 I C -0.621 175.400 176.117 -0.160 0.000 1.107 228 I CA -0.704 60.545 61.300 -0.085 0.000 1.219 228 I CB 0.387 38.356 38.000 -0.052 0.000 1.455 228 I HN 0.058 nan 8.210 nan 0.000 0.498 229 V N 5.324 125.123 119.914 -0.191 0.000 2.479 229 V HA -0.002 4.118 4.120 -0.000 0.000 0.281 229 V C 0.839 176.784 176.094 -0.247 0.000 1.031 229 V CA 0.406 62.498 62.300 -0.347 0.000 1.038 229 V CB 0.968 32.645 31.823 -0.242 0.000 0.981 229 V HN 0.736 nan 8.190 nan 0.000 0.478 230 D N 2.675 122.885 120.400 -0.317 0.000 2.422 230 D HA 0.312 4.951 4.640 -0.000 0.000 0.218 230 D C 0.595 176.652 176.300 -0.405 0.000 1.047 230 D CA 1.021 54.908 54.000 -0.189 0.000 0.885 230 D CB 1.015 41.787 40.800 -0.047 0.000 1.035 230 D HN 0.684 nan 8.370 nan 0.000 0.502 231 A N -0.471 122.128 122.820 -0.368 0.000 2.486 231 A HA 0.528 4.848 4.320 -0.000 0.000 0.277 231 A C 0.717 177.979 177.584 -0.536 0.000 1.282 231 A CA 0.090 51.840 52.037 -0.479 0.000 0.784 231 A CB 0.728 19.768 19.000 0.067 0.000 1.350 231 A HN 0.056 nan 8.150 nan 0.000 0.454 232 V N -3.255 116.330 119.914 -0.549 0.000 3.506 232 V HA 0.130 4.250 4.120 -0.000 0.000 0.263 232 V C 0.849 176.674 176.094 -0.449 0.000 1.203 232 V CA 0.894 62.923 62.300 -0.451 0.000 1.133 232 V CB -1.374 30.116 31.823 -0.556 0.000 0.802 232 V HN 0.650 nan 8.190 nan 0.000 0.459 233 Y N 1.159 121.306 120.300 -0.255 0.000 2.497 233 Y HA 0.329 4.879 4.550 -0.000 0.000 0.345 233 Y C 0.639 176.241 175.900 -0.498 0.000 1.204 233 Y CA -0.148 57.748 58.100 -0.341 0.000 1.265 233 Y CB -1.339 36.910 38.460 -0.353 0.000 1.121 233 Y HN 0.476 nan 8.280 nan 0.000 0.493 234 H N -0.461 118.587 119.070 -0.037 0.000 2.524 234 H HA 0.207 4.763 4.556 0.000 0.000 0.353 234 H C -1.591 173.722 175.328 -0.026 0.000 1.136 234 H CA -2.444 53.588 56.048 -0.028 0.000 1.193 234 H CB 1.489 31.216 29.762 -0.057 0.000 1.558 234 H HN -0.175 nan 8.280 nan 0.000 0.515 235 P HA -0.174 nan 4.420 nan 0.000 0.218 235 P C 1.125 178.458 177.300 0.055 0.000 1.148 235 P CA 1.528 64.660 63.100 0.053 0.000 0.822 235 P CB -0.061 31.665 31.700 0.043 0.000 0.784 236 T N -3.551 111.032 114.554 0.048 0.000 3.139 236 T HA 0.012 4.361 4.350 -0.000 0.000 0.267 236 T C 1.540 176.271 174.700 0.050 0.000 1.164 236 T CA 0.625 62.726 62.100 0.001 0.000 1.075 236 T CB -0.794 68.042 68.868 -0.053 0.000 0.904 236 T HN -0.041 nan 8.240 nan 0.000 0.540 237 V N 0.289 120.253 119.914 0.083 0.000 3.054 237 V HA 0.441 4.561 4.120 -0.000 0.000 0.227 237 V C 2.569 178.726 176.094 0.105 0.000 1.252 237 V CA 0.328 62.697 62.300 0.115 0.000 1.279 237 V CB -0.810 31.071 31.823 0.097 0.000 1.118 237 V HN 0.449 nan 8.190 nan 0.000 0.504 238 A N 0.204 123.054 122.820 0.051 0.000 2.247 238 A HA 0.103 4.423 4.320 -0.000 0.000 0.205 238 A C 2.056 179.679 177.584 0.065 0.000 1.261 238 A CA 0.888 52.947 52.037 0.037 0.000 0.853 238 A CB -0.777 18.217 19.000 -0.010 0.000 0.793 238 A HN 0.316 nan 8.150 nan 0.000 0.487 239 V N -1.103 118.900 119.914 0.148 0.000 2.552 239 V HA -0.338 3.782 4.120 -0.000 0.000 0.203 239 V C 1.387 177.655 176.094 0.290 0.000 1.029 239 V CA 2.263 64.700 62.300 0.229 0.000 1.065 239 V CB -1.063 30.887 31.823 0.211 0.000 1.088 239 V HN 0.676 nan 8.190 nan 0.000 0.478 240 L N -0.117 121.288 121.223 0.304 0.000 2.601 240 L HA 0.265 4.605 4.340 -0.000 0.000 0.277 240 L C 0.884 177.825 176.870 0.119 0.000 1.219 240 L CA 1.396 56.381 54.840 0.241 0.000 0.915 240 L CB 0.538 42.741 42.059 0.240 0.000 1.160 240 L HN 0.300 nan 8.230 nan 0.000 0.494 241 A N 5.086 127.923 122.820 0.029 0.000 2.138 241 A HA 0.382 4.701 4.320 -0.000 0.000 0.203 241 A C -0.089 177.500 177.584 0.010 0.000 1.286 241 A CA 0.101 52.148 52.037 0.017 0.000 0.929 241 A CB 0.319 19.315 19.000 -0.006 0.000 0.975 241 A HN 0.464 nan 8.150 nan 0.000 0.480 242 L N 0.150 121.374 121.223 0.001 0.000 2.438 242 L HA 0.559 4.899 4.340 -0.000 0.000 0.270 242 L C -0.633 176.401 176.870 0.274 0.000 0.972 242 L CA -0.298 54.590 54.840 0.080 0.000 0.831 242 L CB 1.643 43.714 42.059 0.020 0.000 1.273 242 L HN 0.547 nan 8.230 nan 0.000 0.405 243 M N 4.337 124.066 119.600 0.216 0.000 2.364 243 M HA 0.511 4.990 4.480 -0.000 0.000 0.334 243 M C -1.314 174.961 176.300 -0.042 0.000 1.107 243 M CA -0.511 54.862 55.300 0.122 0.000 0.988 243 M CB 1.854 34.463 32.600 0.015 0.000 1.673 243 M HN 0.541 nan 8.290 nan 0.000 0.441 244 L N 3.865 124.769 121.223 -0.532 0.000 2.456 244 L HA 0.275 4.615 4.340 -0.000 0.000 0.272 244 L C 0.105 176.783 176.870 -0.320 0.000 1.189 244 L CA -0.123 54.361 54.840 -0.595 0.000 0.846 244 L CB 0.498 41.840 42.059 -1.194 0.000 1.111 244 L HN 0.845 nan 8.230 nan 0.000 0.475 245 R N 5.854 126.239 120.500 -0.191 0.000 2.235 245 R HA 0.303 4.643 4.340 -0.000 0.000 0.338 245 R C -1.345 174.873 176.300 -0.137 0.000 1.087 245 R CA -0.138 55.881 56.100 -0.136 0.000 0.948 245 R CB 0.142 30.393 30.300 -0.081 0.000 1.099 245 R HN 0.627 nan 8.270 nan 0.000 0.483 246 K N 2.103 122.413 120.400 -0.149 0.000 2.469 246 K HA 0.669 4.989 4.320 -0.000 0.000 0.254 246 K C -1.090 175.443 176.600 -0.112 0.000 0.939 246 K CA -0.848 55.361 56.287 -0.130 0.000 0.812 246 K CB 2.315 34.720 32.500 -0.158 0.000 1.301 246 K HN 0.484 nan 8.250 nan 0.000 0.433 247 A N 0.524 123.291 122.820 -0.088 0.000 2.539 247 A HA 0.935 5.254 4.320 -0.000 0.000 0.272 247 A C -1.159 176.387 177.584 -0.065 0.000 1.286 247 A CA -0.552 51.441 52.037 -0.074 0.000 0.792 247 A CB 1.511 20.475 19.000 -0.060 0.000 1.355 247 A HN 0.870 nan 8.150 nan 0.000 0.472 602 G N 0.919 109.771 108.800 0.087 0.000 2.682 602 G HA2 0.582 4.542 3.960 -0.000 0.000 0.221 602 G HA3 0.582 4.542 3.960 -0.000 0.000 0.221 602 G C 0.741 175.722 174.900 0.135 0.000 1.386 602 G CA 1.394 46.556 45.100 0.102 0.000 0.909 602 G HN 1.169 nan 8.290 nan 0.000 0.558 603 A N 0.000 122.864 122.820 0.073 0.000 2.254 603 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 603 A CA 0.000 52.086 52.037 0.082 0.000 0.836 603 A CB 0.000 19.043 19.000 0.072 0.000 0.831 603 A HN 0.000 nan 8.150 nan 0.000 0.486