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 3go4_1_A DATA FIRST_RESID 15 DATA SEQUENCE RIDTESAHSA RIYDYIIGGK DYYPADKEAG DAXSREWPAL PVHXRANRDW DATA SEQUENCE XNRAVAHLAK EAGIRQFLDI GTGIPTSPNL HEIAQSVAPE SRVVYVDNDP DATA SEQUENCE IVLTLSQGLL ASTPEGRTAY VEADXLDPAS ILDAPELRDT LDLTRPVALT DATA SEQUENCE VIAIVHFVLD EDDAVGIVRR LLEPLPSGSY LAXSIGTAEF APQEVGRVAR DATA SEQUENCE EYAARNXPXR LRTHAEAEEF FEGLELVEPG IVQVHKWHPD AATADGIRDE DATA SEQUENCE DIAXYGAVAR KP 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 15 R HA 0.000 nan 4.340 nan 0.000 0.208 15 R C 0.000 176.289 176.300 -0.019 0.000 0.893 15 R CA 0.000 56.097 56.100 -0.005 0.000 0.921 15 R CB 0.000 30.304 30.300 0.007 0.000 0.687 16 I N 2.833 123.369 120.570 -0.057 0.000 2.264 16 I HA -0.160 4.025 4.170 0.024 0.000 0.248 16 I C 0.271 176.299 176.117 -0.148 0.000 1.111 16 I CA 2.055 63.285 61.300 -0.117 0.000 1.382 16 I CB -1.117 36.798 38.000 -0.142 0.000 1.060 16 I HN 0.476 nan 8.210 nan 0.000 0.418 17 D N 1.074 121.420 120.400 -0.090 0.000 3.082 17 D HA -0.184 4.471 4.640 0.024 0.000 0.234 17 D C 1.124 177.396 176.300 -0.046 0.000 1.159 17 D CA 0.909 54.901 54.000 -0.013 0.000 0.875 17 D CB -0.567 40.313 40.800 0.135 0.000 0.946 17 D HN 0.495 nan 8.370 nan 0.000 0.411 18 T N -1.602 112.804 114.554 -0.247 0.000 3.085 18 T HA -0.065 4.300 4.350 0.024 0.000 0.263 18 T C 1.337 175.959 174.700 -0.130 0.000 1.127 18 T CA 0.662 62.518 62.100 -0.407 0.000 1.103 18 T CB 0.149 68.538 68.868 -0.798 0.000 0.921 18 T HN 0.225 nan 8.240 nan 0.000 0.510 19 E N 1.456 121.619 120.200 -0.061 0.000 2.482 19 E HA 0.201 4.566 4.350 0.024 0.000 0.196 19 E C 0.267 176.877 176.600 0.016 0.000 1.047 19 E CA 0.123 56.514 56.400 -0.016 0.000 0.869 19 E CB 0.169 29.857 29.700 -0.021 0.000 0.836 19 E HN 0.516 nan 8.360 nan 0.000 0.520 20 S N -0.238 115.492 115.700 0.050 0.000 2.599 20 S HA 0.676 5.160 4.470 0.024 0.000 0.294 20 S C -0.388 174.271 174.600 0.099 0.000 1.094 20 S CA -0.768 57.450 58.200 0.029 0.000 0.931 20 S CB 2.272 65.448 63.200 -0.040 0.000 1.093 20 S HN 0.190 nan 8.310 nan 0.000 0.488 21 A N 1.935 124.779 122.820 0.041 0.000 2.371 21 A HA 0.572 4.907 4.320 0.024 0.000 0.257 21 A C -0.384 177.217 177.584 0.028 0.000 1.089 21 A CA -0.170 51.925 52.037 0.096 0.000 0.794 21 A CB 0.127 19.146 19.000 0.031 0.000 1.029 21 A HN 0.872 nan 8.150 nan 0.000 0.488 22 H N 1.012 120.132 119.070 0.084 0.000 2.768 22 H HA 0.211 4.782 4.556 0.024 0.000 0.371 22 H C 1.070 176.468 175.328 0.116 0.000 1.151 22 H CA 0.090 56.181 56.048 0.072 0.000 1.165 22 H CB 2.208 32.013 29.762 0.071 0.000 1.722 22 H HN 0.863 nan 8.280 nan 0.000 0.543 23 S N 1.648 117.450 115.700 0.170 0.000 2.368 23 S HA -0.180 4.304 4.470 0.024 0.000 0.225 23 S C 2.120 176.890 174.600 0.283 0.000 1.030 23 S CA 0.949 59.280 58.200 0.218 0.000 0.999 23 S CB -0.282 62.800 63.200 -0.196 0.000 0.844 23 S HN 0.661 nan 8.310 nan 0.000 0.459 24 A N 2.374 125.327 122.820 0.221 0.000 1.933 24 A HA -0.036 4.299 4.320 0.024 0.000 0.218 24 A C 2.412 180.177 177.584 0.301 0.000 1.175 24 A CA 1.374 53.575 52.037 0.273 0.000 0.628 24 A CB -0.523 18.588 19.000 0.186 0.000 0.814 24 A HN 0.633 nan 8.150 nan 0.000 0.444 25 R N -0.682 119.979 120.500 0.268 0.000 2.062 25 R HA 0.135 4.490 4.340 0.024 0.000 0.226 25 R C 2.016 178.487 176.300 0.284 0.000 1.125 25 R CA 1.208 57.465 56.100 0.262 0.000 0.966 25 R CB -0.456 30.000 30.300 0.259 0.000 0.861 25 R HN 0.503 nan 8.270 nan 0.000 0.433 26 I N 0.247 120.988 120.570 0.284 0.000 2.118 26 I HA -0.368 3.817 4.170 0.024 0.000 0.241 26 I C 2.392 178.715 176.117 0.343 0.000 1.070 26 I CA 1.514 62.977 61.300 0.272 0.000 1.327 26 I CB -0.410 37.743 38.000 0.255 0.000 1.034 26 I HN 0.141 nan 8.210 nan 0.000 0.405 27 Y N 1.765 122.209 120.300 0.239 0.000 2.081 27 Y HA -0.382 4.182 4.550 0.023 0.000 0.280 27 Y C 2.191 178.169 175.900 0.129 0.000 1.163 27 Y CA 2.213 60.430 58.100 0.196 0.000 1.135 27 Y CB -0.744 37.843 38.460 0.211 0.000 0.970 27 Y HN 0.275 nan 8.280 nan 0.000 0.498 28 D N -1.559 118.892 120.400 0.085 0.000 2.144 28 D HA -0.249 4.405 4.640 0.024 0.000 0.200 28 D C 2.126 178.422 176.300 -0.007 0.000 0.978 28 D CA 1.409 55.382 54.000 -0.045 0.000 0.833 28 D CB -0.552 40.290 40.800 0.070 0.000 0.961 28 D HN 0.471 nan 8.370 nan 0.000 0.470 29 Y N 0.739 120.989 120.300 -0.084 0.000 2.114 29 Y HA -0.159 4.406 4.550 0.024 0.000 0.284 29 Y C 1.903 177.659 175.900 -0.238 0.000 1.143 29 Y CA 1.381 59.275 58.100 -0.343 0.000 1.135 29 Y CB -0.319 37.767 38.460 -0.624 0.000 0.980 29 Y HN -0.015 nan 8.280 nan 0.000 0.499 30 I N 1.446 121.846 120.570 -0.283 0.000 2.286 30 I HA -0.254 3.931 4.170 0.024 0.000 0.248 30 I C 2.420 178.364 176.117 -0.287 0.000 1.115 30 I CA 1.745 62.853 61.300 -0.319 0.000 1.392 30 I CB -1.416 36.569 38.000 -0.025 0.000 1.065 30 I HN 0.564 nan 8.210 nan 0.000 0.418 31 I N -1.669 118.754 120.570 -0.245 0.000 3.684 31 I HA 0.327 4.512 4.170 0.024 0.000 0.304 31 I C 1.182 177.174 176.117 -0.208 0.000 1.278 31 I CA 0.768 61.929 61.300 -0.231 0.000 1.272 31 I CB -0.185 37.650 38.000 -0.274 0.000 1.029 31 I HN 0.300 nan 8.210 nan 0.000 0.458 32 G N 0.927 109.591 108.800 -0.228 0.000 2.148 32 G HA2 -0.157 3.817 3.960 0.024 0.000 0.203 32 G HA3 -0.157 3.817 3.960 0.024 0.000 0.203 32 G C 0.438 175.292 174.900 -0.077 0.000 0.993 32 G CA -0.299 44.703 45.100 -0.163 0.000 0.661 32 G HN 0.813 nan 8.290 nan 0.000 0.518 33 G N -0.241 108.531 108.800 -0.047 0.000 2.557 33 G HA2 0.595 4.570 3.960 0.024 0.000 0.292 33 G HA3 0.595 4.570 3.960 0.024 0.000 0.292 33 G C 0.805 175.804 174.900 0.166 0.000 1.237 33 G CA 0.222 45.335 45.100 0.022 0.000 0.978 33 G HN 0.851 nan 8.290 nan 0.000 0.498 34 K N -1.486 118.971 120.400 0.094 0.000 2.373 34 K HA 0.183 4.517 4.320 0.024 0.000 0.200 34 K C -0.425 176.064 176.600 -0.186 0.000 1.054 34 K CA -0.102 56.189 56.287 0.006 0.000 1.065 34 K CB 0.709 33.156 32.500 -0.088 0.000 0.886 34 K HN 0.183 nan 8.250 nan 0.000 0.546 35 D N 2.250 122.630 120.400 -0.034 0.000 2.619 35 D HA 0.105 4.759 4.640 0.024 0.000 0.224 35 D C -0.949 175.321 176.300 -0.050 0.000 1.133 35 D CA 0.175 54.097 54.000 -0.129 0.000 1.017 35 D CB -0.028 40.735 40.800 -0.062 0.000 1.077 35 D HN 0.339 nan 8.370 nan 0.000 0.503 36 Y N -1.549 118.591 120.300 -0.266 0.000 2.656 36 Y HA 0.544 5.109 4.550 0.025 0.000 0.334 36 Y C -1.757 173.887 175.900 -0.426 0.000 1.179 36 Y CA -1.433 56.542 58.100 -0.208 0.000 1.050 36 Y CB 0.646 39.101 38.460 -0.008 0.000 1.308 36 Y HN -0.140 nan 8.280 nan 0.000 0.456 37 Y N 0.794 121.172 120.300 0.130 0.000 2.621 37 Y HA 0.526 5.090 4.550 0.024 0.000 0.334 37 Y C -1.718 174.253 175.900 0.120 0.000 1.074 37 Y CA -2.408 55.715 58.100 0.038 0.000 1.149 37 Y CB 1.448 39.915 38.460 0.012 0.000 1.302 37 Y HN 0.367 nan 8.280 nan 0.000 0.501 38 P HA -0.316 nan 4.420 nan 0.000 0.217 38 P C 1.176 178.513 177.300 0.061 0.000 1.158 38 P CA 3.051 66.218 63.100 0.112 0.000 0.887 38 P CB -0.071 31.679 31.700 0.084 0.000 0.792 39 A N -0.328 122.546 122.820 0.089 0.000 1.940 39 A HA -0.246 4.088 4.320 0.024 0.000 0.219 39 A C 1.993 179.594 177.584 0.029 0.000 1.176 39 A CA 2.161 54.230 52.037 0.053 0.000 0.631 39 A CB -1.265 17.779 19.000 0.073 0.000 0.814 39 A HN 0.177 nan 8.150 nan 0.000 0.446 40 D N -0.719 119.722 120.400 0.068 0.000 2.162 40 D HA -0.111 4.543 4.640 0.024 0.000 0.203 40 D C 1.927 178.075 176.300 -0.254 0.000 0.967 40 D CA 1.414 55.424 54.000 0.016 0.000 0.840 40 D CB -0.213 40.681 40.800 0.157 0.000 0.972 40 D HN 0.630 nan 8.370 nan 0.000 0.482 41 K N 1.142 121.275 120.400 -0.445 0.000 2.057 41 K HA -0.164 4.171 4.320 0.024 0.000 0.206 41 K C 2.013 178.337 176.600 -0.462 0.000 1.050 41 K CA 0.977 56.661 56.287 -1.005 0.000 0.935 41 K CB 0.174 32.230 32.500 -0.741 0.000 0.715 41 K HN -0.151 nan 8.250 nan 0.000 0.439 42 E N 0.824 120.896 120.200 -0.213 0.000 2.077 42 E HA -0.186 4.179 4.350 0.024 0.000 0.193 42 E C 1.752 178.304 176.600 -0.082 0.000 0.989 42 E CA 1.457 57.796 56.400 -0.102 0.000 0.800 42 E CB -0.161 29.507 29.700 -0.053 0.000 0.746 42 E HN 0.421 nan 8.360 nan 0.000 0.452 43 A N 0.686 123.452 122.820 -0.090 0.000 1.873 43 A HA -0.059 4.276 4.320 0.024 0.000 0.215 43 A C 2.516 180.063 177.584 -0.063 0.000 1.186 43 A CA 1.937 53.924 52.037 -0.083 0.000 0.616 43 A CB -1.189 17.754 19.000 -0.096 0.000 0.823 43 A HN 0.407 nan 8.150 nan 0.000 0.442 44 G N -0.007 108.769 108.800 -0.039 0.000 2.446 44 G HA2 -0.274 3.701 3.960 0.024 0.000 0.217 44 G HA3 -0.274 3.701 3.960 0.024 0.000 0.217 44 G C 1.135 176.107 174.900 0.121 0.000 1.168 44 G CA 1.296 46.458 45.100 0.103 0.000 0.771 44 G HN 0.456 nan 8.290 nan 0.000 0.551 45 D N 1.284 121.738 120.400 0.091 0.000 2.117 45 D HA 0.071 4.725 4.640 0.024 0.000 0.197 45 D C 2.081 178.407 176.300 0.043 0.000 0.987 45 D CA 0.960 55.007 54.000 0.078 0.000 0.829 45 D CB -0.496 40.333 40.800 0.047 0.000 0.961 45 D HN 0.382 nan 8.370 nan 0.000 0.460 49 R N 1.724 122.261 120.500 0.061 0.000 2.092 49 R HA 0.067 4.421 4.340 0.024 0.000 0.231 49 R C 1.652 178.000 176.300 0.079 0.000 1.119 49 R CA 1.308 57.441 56.100 0.055 0.000 0.970 49 R CB -0.068 30.258 30.300 0.043 0.000 0.864 49 R HN 0.291 nan 8.270 nan 0.000 0.440 50 E N -1.011 119.252 120.200 0.105 0.000 2.112 50 E HA -0.133 4.231 4.350 0.024 0.000 0.190 50 E C -0.085 176.649 176.600 0.225 0.000 0.979 50 E CA 0.704 57.180 56.400 0.127 0.000 0.814 50 E CB 0.138 29.905 29.700 0.112 0.000 0.762 50 E HN 0.219 nan 8.360 nan 0.000 0.460 51 W N 1.458 122.757 121.300 -0.001 0.000 2.533 51 W HA 0.343 5.013 4.660 0.017 0.000 0.291 51 W C -2.450 174.066 176.519 -0.006 0.000 1.013 51 W CA -2.898 54.441 57.345 -0.011 0.000 1.436 51 W CB 1.189 30.632 29.460 -0.027 0.000 1.291 51 W HN -0.123 nan 8.180 nan 0.000 0.396 52 P HA -0.158 nan 4.420 nan 0.000 0.221 52 P C 1.366 178.457 177.300 -0.348 0.000 1.145 52 P CA 2.236 65.254 63.100 -0.137 0.000 0.795 52 P CB 0.192 31.860 31.700 -0.054 0.000 0.775 53 A N -1.267 121.130 122.820 -0.705 0.000 2.235 53 A HA -0.038 4.296 4.320 0.024 0.000 0.208 53 A C 1.868 178.836 177.584 -1.027 0.000 1.172 53 A CA 0.260 51.799 52.037 -0.829 0.000 0.786 53 A CB -1.361 17.171 19.000 -0.779 0.000 0.804 53 A HN 0.097 nan 8.150 nan 0.000 0.479 54 L N 0.894 121.505 121.223 -1.020 0.000 2.010 54 L HA -0.165 4.190 4.340 0.024 0.000 0.219 54 L C -0.699 176.030 176.870 -0.235 0.000 1.077 54 L CA 2.906 57.411 54.840 -0.558 0.000 0.773 54 L CB -1.180 40.805 42.059 -0.123 0.000 0.892 54 L HN 0.217 nan 8.230 nan 0.000 0.436 55 P HA -0.115 nan 4.420 nan 0.000 0.218 55 P C 2.056 179.281 177.300 -0.125 0.000 1.149 55 P CA 1.188 64.209 63.100 -0.133 0.000 0.817 55 P CB -0.017 31.592 31.700 -0.152 0.000 0.785 56 V N -1.011 118.796 119.914 -0.178 0.000 2.307 56 V HA -0.195 3.939 4.120 0.024 0.000 0.245 56 V C 1.840 177.880 176.094 -0.091 0.000 1.045 56 V CA 1.393 63.608 62.300 -0.142 0.000 1.024 56 V CB -1.336 30.378 31.823 -0.181 0.000 0.651 56 V HN 0.240 nan 8.190 nan 0.000 0.449 60 A N 1.482 124.303 122.820 0.002 0.000 1.972 60 A HA -0.174 4.160 4.320 0.024 0.000 0.219 60 A C 1.787 179.428 177.584 0.096 0.000 1.169 60 A CA 2.021 54.085 52.037 0.046 0.000 0.635 60 A CB -0.730 18.279 19.000 0.016 0.000 0.810 60 A HN 0.498 nan 8.150 nan 0.000 0.446 61 N N -0.552 118.162 118.700 0.022 0.000 2.058 61 N HA -0.217 4.537 4.740 0.024 0.000 0.191 61 N C 1.895 177.538 175.510 0.222 0.000 1.037 61 N CA 1.809 54.905 53.050 0.076 0.000 0.848 61 N CB -0.218 38.231 38.487 -0.064 0.000 1.021 61 N HN 0.311 nan 8.380 nan 0.000 0.422 62 R N 0.789 121.420 120.500 0.217 0.000 2.105 62 R HA -0.063 4.292 4.340 0.024 0.000 0.239 62 R C 1.048 177.431 176.300 0.137 0.000 1.135 62 R CA 1.701 57.925 56.100 0.206 0.000 0.967 62 R CB -0.664 29.718 30.300 0.137 0.000 0.861 62 R HN 0.354 nan 8.270 nan 0.000 0.442 63 D N -0.971 119.504 120.400 0.125 0.000 2.178 63 D HA -0.131 4.524 4.640 0.024 0.000 0.202 63 D C 0.525 176.909 176.300 0.140 0.000 0.974 63 D CA 0.633 54.697 54.000 0.105 0.000 0.841 63 D CB -0.288 40.574 40.800 0.103 0.000 0.953 63 D HN 0.229 nan 8.370 nan 0.000 0.478 67 R N 1.181 121.599 120.500 -0.137 0.000 2.090 67 R HA 0.249 4.603 4.340 0.024 0.000 0.228 67 R C 1.932 178.167 176.300 -0.108 0.000 1.110 67 R CA 1.411 57.484 56.100 -0.045 0.000 0.973 67 R CB -0.159 30.206 30.300 0.108 0.000 0.869 67 R HN 0.207 nan 8.270 nan 0.000 0.440 68 A N 0.873 123.352 122.820 -0.568 0.000 1.902 68 A HA -0.101 4.234 4.320 0.024 0.000 0.217 68 A C 2.342 179.772 177.584 -0.256 0.000 1.181 68 A CA 1.302 52.914 52.037 -0.708 0.000 0.623 68 A CB -0.459 17.598 19.000 -1.572 0.000 0.818 68 A HN 0.098 nan 8.150 nan 0.000 0.443 69 V N -0.211 119.561 119.914 -0.236 0.000 2.358 69 V HA -0.188 3.946 4.120 0.024 0.000 0.246 69 V C 3.037 179.092 176.094 -0.066 0.000 1.047 69 V CA 1.719 63.942 62.300 -0.128 0.000 1.035 69 V CB -1.197 30.486 31.823 -0.233 0.000 0.658 69 V HN 0.608 nan 8.190 nan 0.000 0.452 70 A N -0.239 122.541 122.820 -0.067 0.000 1.883 70 A HA -0.327 4.007 4.320 0.024 0.000 0.217 70 A C 2.101 179.687 177.584 0.004 0.000 1.186 70 A CA 2.467 54.486 52.037 -0.030 0.000 0.624 70 A CB -0.907 18.081 19.000 -0.019 0.000 0.822 70 A HN 0.734 nan 8.150 nan 0.000 0.444 71 H N -0.084 118.967 119.070 -0.033 0.000 2.289 71 H HA -0.107 4.464 4.556 0.025 0.000 0.296 71 H C 1.788 177.081 175.328 -0.058 0.000 1.091 71 H CA 2.225 58.255 56.048 -0.030 0.000 1.274 71 H CB -0.334 29.469 29.762 0.068 0.000 1.364 71 H HN 0.363 nan 8.280 nan 0.000 0.490 72 L N -0.401 120.794 121.223 -0.047 0.000 2.012 72 L HA -0.205 4.149 4.340 0.024 0.000 0.210 72 L C 2.883 179.701 176.870 -0.087 0.000 1.073 72 L CA 1.228 55.979 54.840 -0.149 0.000 0.748 72 L CB -0.692 41.378 42.059 0.018 0.000 0.891 72 L HN 0.471 nan 8.230 nan 0.000 0.431 73 A N -0.417 122.448 122.820 0.073 0.000 1.873 73 A HA -0.204 4.130 4.320 0.024 0.000 0.215 73 A C 2.481 180.054 177.584 -0.018 0.000 1.186 73 A CA 2.140 54.243 52.037 0.110 0.000 0.616 73 A CB -0.449 18.607 19.000 0.092 0.000 0.823 73 A HN 0.228 nan 8.150 nan 0.000 0.442 74 K N -0.635 119.721 120.400 -0.073 0.000 2.020 74 K HA -0.015 4.319 4.320 0.024 0.000 0.206 74 K C 2.073 178.586 176.600 -0.145 0.000 1.038 74 K CA 1.629 57.861 56.287 -0.090 0.000 0.947 74 K CB -0.624 31.832 32.500 -0.074 0.000 0.744 74 K HN 0.547 nan 8.250 nan 0.000 0.442 75 E N 0.216 120.252 120.200 -0.274 0.000 2.046 75 E HA 0.151 4.515 4.350 0.024 0.000 0.190 75 E C 1.916 178.352 176.600 -0.273 0.000 0.982 75 E CA 1.552 57.758 56.400 -0.324 0.000 0.800 75 E CB -0.328 29.031 29.700 -0.569 0.000 0.756 75 E HN 0.518 nan 8.360 nan 0.000 0.449 76 A N -0.384 122.223 122.820 -0.355 0.000 2.208 76 A HA 0.318 4.652 4.320 0.024 0.000 0.209 76 A C 1.746 179.268 177.584 -0.104 0.000 1.161 76 A CA 0.809 52.725 52.037 -0.202 0.000 0.782 76 A CB -0.561 18.193 19.000 -0.411 0.000 0.816 76 A HN 0.299 nan 8.150 nan 0.000 0.477 77 G N -0.394 108.342 108.800 -0.106 0.000 2.203 77 G HA2 -0.226 3.749 3.960 0.024 0.000 0.263 77 G HA3 -0.226 3.749 3.960 0.024 0.000 0.263 77 G C 0.110 174.979 174.900 -0.052 0.000 1.012 77 G CA 0.324 45.392 45.100 -0.053 0.000 0.749 77 G HN 0.356 nan 8.290 nan 0.000 0.512 78 I N 0.147 120.653 120.570 -0.107 0.000 2.556 78 I HA 0.212 4.396 4.170 0.024 0.000 0.284 78 I C 1.243 177.279 176.117 -0.134 0.000 1.114 78 I CA 0.216 61.395 61.300 -0.202 0.000 1.418 78 I CB 1.020 38.754 38.000 -0.444 0.000 1.394 78 I HN 0.070 nan 8.210 nan 0.000 0.552 79 R N 4.671 125.094 120.500 -0.128 0.000 2.508 79 R HA 0.274 4.628 4.340 0.024 0.000 0.300 79 R C -0.348 175.963 176.300 0.019 0.000 0.970 79 R CA -0.020 56.096 56.100 0.027 0.000 1.102 79 R CB 0.703 31.016 30.300 0.022 0.000 1.246 79 R HN 0.635 nan 8.270 nan 0.000 0.539 80 Q N 0.193 119.855 119.800 -0.230 0.000 2.263 80 Q HA 0.437 4.792 4.340 0.024 0.000 0.266 80 Q C -1.440 174.323 176.000 -0.395 0.000 1.002 80 Q CA -0.430 55.290 55.803 -0.138 0.000 0.790 80 Q CB 2.343 31.019 28.738 -0.103 0.000 1.272 80 Q HN -0.115 nan 8.270 nan 0.000 0.435 81 F N 1.720 121.641 119.950 -0.049 0.000 2.551 81 F HA 0.547 5.088 4.527 0.024 0.000 0.316 81 F C -0.621 175.134 175.800 -0.076 0.000 1.089 81 F CA -1.033 56.932 58.000 -0.057 0.000 0.915 81 F CB 1.533 40.482 39.000 -0.084 0.000 1.186 81 F HN 0.329 nan 8.300 nan 0.000 0.456 82 L N 3.036 124.321 121.223 0.103 0.000 2.343 82 L HA 0.552 4.907 4.340 0.024 0.000 0.278 82 L C -1.390 175.529 176.870 0.081 0.000 0.996 82 L CA -0.329 54.542 54.840 0.052 0.000 0.831 82 L CB 1.262 43.340 42.059 0.031 0.000 1.232 82 L HN 0.560 nan 8.230 nan 0.000 0.413 83 D N 5.105 125.547 120.400 0.071 0.000 2.425 83 D HA 0.440 5.094 4.640 0.024 0.000 0.240 83 D C -0.975 175.411 176.300 0.144 0.000 1.080 83 D CA -0.290 53.786 54.000 0.127 0.000 0.836 83 D CB 0.911 41.806 40.800 0.159 0.000 1.125 83 D HN 0.338 nan 8.370 nan 0.000 0.525 84 I N 3.128 123.771 120.570 0.122 0.000 2.321 84 I HA 0.465 4.649 4.170 0.024 0.000 0.291 84 I C 1.190 177.375 176.117 0.114 0.000 0.998 84 I CA -0.626 60.734 61.300 0.101 0.000 1.227 84 I CB 0.589 38.629 38.000 0.068 0.000 1.368 84 I HN 0.761 nan 8.210 nan 0.000 0.466 85 G N 4.142 113.015 108.800 0.122 0.000 2.370 85 G HA2 -0.235 3.739 3.960 0.024 0.000 0.268 85 G HA3 -0.235 3.739 3.960 0.024 0.000 0.268 85 G C 0.697 175.696 174.900 0.165 0.000 1.122 85 G CA 0.286 45.458 45.100 0.121 0.000 0.963 85 G HN 0.610 nan 8.290 nan 0.000 0.500 86 T N -0.036 114.647 114.554 0.215 0.000 2.759 86 T HA 0.299 4.663 4.350 0.024 0.000 0.269 86 T C 2.128 176.943 174.700 0.192 0.000 1.042 86 T CA 2.160 64.411 62.100 0.252 0.000 1.140 86 T CB -0.433 68.632 68.868 0.329 0.000 0.864 86 T HN 2.398 nan 8.240 nan 0.000 0.455 87 G N 0.761 109.666 108.800 0.173 0.000 2.860 87 G HA2 -0.208 3.767 3.960 0.024 0.000 0.553 87 G HA3 -0.208 3.767 3.960 0.024 0.000 0.553 87 G C -0.358 174.599 174.900 0.095 0.000 1.439 87 G CA -0.710 44.496 45.100 0.176 0.000 0.879 87 G HN 0.505 nan 8.290 nan 0.000 0.545 88 I N 2.192 122.821 120.570 0.098 0.000 2.648 88 I HA 0.172 4.357 4.170 0.024 0.000 0.284 88 I C -1.474 174.631 176.117 -0.020 0.000 1.153 88 I CA -1.260 60.050 61.300 0.016 0.000 1.426 88 I CB 0.848 38.867 38.000 0.032 0.000 1.381 88 I HN 0.250 nan 8.210 nan 0.000 0.571 89 P HA 0.111 nan 4.420 nan 0.000 0.268 89 P C -0.981 176.280 177.300 -0.064 0.000 1.204 89 P CA 0.067 63.112 63.100 -0.092 0.000 0.768 89 P CB 0.565 32.191 31.700 -0.123 0.000 0.842 90 T N 1.053 115.574 114.554 -0.055 0.000 3.071 90 T HA 0.268 4.632 4.350 0.024 0.000 0.311 90 T C -0.577 174.090 174.700 -0.054 0.000 1.042 90 T CA -0.559 61.505 62.100 -0.059 0.000 1.028 90 T CB 1.030 69.851 68.868 -0.078 0.000 1.068 90 T HN 0.242 nan 8.240 nan 0.000 0.451 91 S N 4.418 120.083 115.700 -0.057 0.000 2.531 91 S HA 0.413 4.898 4.470 0.024 0.000 0.279 91 S C -2.040 172.526 174.600 -0.056 0.000 1.305 91 S CA -1.019 57.145 58.200 -0.060 0.000 1.058 91 S CB -0.042 63.125 63.200 -0.056 0.000 0.899 91 S HN 0.490 nan 8.310 nan 0.000 0.493 92 P HA 0.290 nan 4.420 nan 0.000 0.286 92 P C -0.617 176.634 177.300 -0.082 0.000 1.269 92 P CA -0.606 62.443 63.100 -0.085 0.000 0.787 92 P CB 0.542 32.191 31.700 -0.086 0.000 0.920 93 N N 1.556 120.188 118.700 -0.114 0.000 2.445 93 N HA 0.086 4.840 4.740 0.024 0.000 0.264 93 N C 1.354 176.832 175.510 -0.052 0.000 1.227 93 N CA -0.518 52.502 53.050 -0.050 0.000 0.963 93 N CB 1.170 39.644 38.487 -0.021 0.000 1.188 93 N HN 0.431 nan 8.380 nan 0.000 0.491 94 L N 1.497 122.780 121.223 0.101 0.000 2.013 94 L HA -0.244 4.111 4.340 0.024 0.000 0.212 94 L C 2.600 179.392 176.870 -0.129 0.000 1.073 94 L CA 1.565 56.395 54.840 -0.015 0.000 0.753 94 L CB -0.364 41.726 42.059 0.051 0.000 0.890 94 L HN 0.670 nan 8.230 nan 0.000 0.432 95 H N -1.018 118.057 119.070 0.009 0.000 2.457 95 H HA -0.142 4.429 4.556 0.024 0.000 0.294 95 H C 1.652 176.944 175.328 -0.060 0.000 1.064 95 H CA 1.450 57.452 56.048 -0.077 0.000 1.330 95 H CB -0.402 29.383 29.762 0.038 0.000 1.395 95 H HN 0.557 nan 8.280 nan 0.000 0.541 96 E N 0.850 120.679 120.200 -0.618 0.000 2.072 96 E HA -0.052 4.312 4.350 0.024 0.000 0.191 96 E C 2.511 178.982 176.600 -0.215 0.000 0.985 96 E CA 1.034 57.184 56.400 -0.417 0.000 0.801 96 E CB 0.130 29.594 29.700 -0.392 0.000 0.750 96 E HN 0.470 nan 8.360 nan 0.000 0.452 97 I N 1.158 121.606 120.570 -0.205 0.000 2.179 97 I HA -0.257 3.928 4.170 0.024 0.000 0.242 97 I C 2.576 178.593 176.117 -0.168 0.000 1.088 97 I CA 0.990 62.192 61.300 -0.163 0.000 1.357 97 I CB -0.316 37.585 38.000 -0.165 0.000 1.051 97 I HN 0.077 nan 8.210 nan 0.000 0.409 98 A N 0.139 122.810 122.820 -0.248 0.000 1.898 98 A HA -0.222 4.112 4.320 0.024 0.000 0.216 98 A C 2.217 179.756 177.584 -0.075 0.000 1.181 98 A CA 1.386 53.283 52.037 -0.232 0.000 0.620 98 A CB -0.557 18.127 19.000 -0.528 0.000 0.819 98 A HN 0.472 nan 8.150 nan 0.000 0.442 99 Q N 0.153 119.920 119.800 -0.055 0.000 2.369 99 Q HA -0.082 4.272 4.340 0.024 0.000 0.206 99 Q C 2.244 178.236 176.000 -0.013 0.000 0.963 99 Q CA 1.275 57.078 55.803 0.000 0.000 0.894 99 Q CB -0.127 28.640 28.738 0.048 0.000 0.965 99 Q HN 0.860 nan 8.270 nan 0.000 0.475 100 S N -0.665 115.010 115.700 -0.041 0.000 2.414 100 S HA -0.054 4.430 4.470 0.024 0.000 0.227 100 S C 1.979 176.564 174.600 -0.024 0.000 1.022 100 S CA 0.687 58.866 58.200 -0.035 0.000 0.958 100 S CB -0.261 62.909 63.200 -0.050 0.000 0.797 100 S HN 0.115 nan 8.310 nan 0.000 0.493 101 V N 1.286 121.184 119.914 -0.026 0.000 2.407 101 V HA 0.360 4.494 4.120 0.024 0.000 0.245 101 V C 1.253 177.347 176.094 -0.001 0.000 1.041 101 V CA 1.144 63.435 62.300 -0.015 0.000 1.040 101 V CB -0.804 31.009 31.823 -0.016 0.000 0.671 101 V HN 0.721 nan 8.190 nan 0.000 0.455 102 A N -0.081 122.745 122.820 0.011 0.000 2.569 102 A HA 0.619 4.953 4.320 0.024 0.000 0.282 102 A C -1.903 175.699 177.584 0.030 0.000 1.165 102 A CA -1.004 51.047 52.037 0.024 0.000 0.747 102 A CB 0.936 19.959 19.000 0.039 0.000 1.215 102 A HN 0.147 nan 8.150 nan 0.000 0.431 103 P HA -0.220 nan 4.420 nan 0.000 0.217 103 P C 1.011 178.334 177.300 0.039 0.000 1.148 103 P CA 1.538 64.655 63.100 0.029 0.000 0.828 103 P CB 0.236 31.949 31.700 0.022 0.000 0.783 104 E N -0.061 120.162 120.200 0.038 0.000 2.511 104 E HA 0.005 4.369 4.350 0.024 0.000 0.196 104 E C 0.182 176.815 176.600 0.056 0.000 1.066 104 E CA 0.159 56.583 56.400 0.040 0.000 0.871 104 E CB -0.755 28.963 29.700 0.031 0.000 0.863 104 E HN 0.067 nan 8.360 nan 0.000 0.520 105 S N 1.127 116.872 115.700 0.075 0.000 2.568 105 S HA 0.195 4.679 4.470 0.024 0.000 0.282 105 S C 0.158 174.824 174.600 0.110 0.000 1.338 105 S CA -0.147 58.125 58.200 0.121 0.000 1.045 105 S CB 0.610 63.910 63.200 0.167 0.000 0.873 105 S HN 0.222 nan 8.310 nan 0.000 0.516 106 R N 0.898 121.477 120.500 0.132 0.000 2.637 106 R HA 0.751 5.106 4.340 0.024 0.000 0.291 106 R C -1.449 174.921 176.300 0.118 0.000 0.963 106 R CA -0.719 55.434 56.100 0.087 0.000 0.901 106 R CB 1.673 32.005 30.300 0.053 0.000 1.160 106 R HN 0.357 nan 8.270 nan 0.000 0.457 107 V N 2.445 122.367 119.914 0.012 0.000 2.808 107 V HA 0.355 4.490 4.120 0.024 0.000 0.308 107 V C -0.839 175.152 176.094 -0.173 0.000 1.099 107 V CA -0.879 61.364 62.300 -0.094 0.000 0.920 107 V CB 2.387 34.029 31.823 -0.301 0.000 1.014 107 V HN 0.446 nan 8.190 nan 0.000 0.425 108 V N 4.684 124.510 119.914 -0.147 0.000 2.417 108 V HA 0.521 4.656 4.120 0.024 0.000 0.291 108 V C -1.100 174.937 176.094 -0.095 0.000 1.024 108 V CA -0.649 61.602 62.300 -0.081 0.000 0.861 108 V CB 1.572 33.382 31.823 -0.023 0.000 0.985 108 V HN 0.739 nan 8.190 nan 0.000 0.436 109 Y N 3.307 123.658 120.300 0.086 0.000 2.361 109 Y HA 0.740 5.305 4.550 0.024 0.000 0.332 109 Y C 0.076 175.996 175.900 0.033 0.000 1.101 109 Y CA -0.743 57.441 58.100 0.139 0.000 1.137 109 Y CB 2.093 40.717 38.460 0.273 0.000 1.207 109 Y HN 0.356 nan 8.280 nan 0.000 0.463 110 V N 3.031 123.080 119.914 0.226 0.000 2.733 110 V HA 0.451 4.585 4.120 0.024 0.000 0.306 110 V C -1.016 175.147 176.094 0.115 0.000 1.084 110 V CA -0.913 61.383 62.300 -0.007 0.000 0.905 110 V CB 2.090 33.908 31.823 -0.008 0.000 1.010 110 V HN 0.796 nan 8.190 nan 0.000 0.424 111 D N 2.202 122.655 120.400 0.088 0.000 2.623 111 D HA 0.262 4.917 4.640 0.024 0.000 0.241 111 D C -0.538 175.841 176.300 0.133 0.000 1.241 111 D CA -0.329 53.779 54.000 0.180 0.000 0.788 111 D CB 2.632 43.611 40.800 0.298 0.000 1.413 111 D HN 0.631 nan 8.370 nan 0.000 0.429 112 N N 0.527 119.287 118.700 0.100 0.000 2.203 112 N HA 0.002 4.757 4.740 0.024 0.000 0.207 112 N C -0.404 175.163 175.510 0.095 0.000 1.130 112 N CA -0.227 52.871 53.050 0.080 0.000 0.861 112 N CB 0.450 38.963 38.487 0.043 0.000 1.005 112 N HN 0.189 nan 8.380 nan 0.000 0.507 113 D N 1.563 122.030 120.400 0.112 0.000 2.316 113 D HA 0.247 4.902 4.640 0.024 0.000 0.245 113 D C -1.619 174.727 176.300 0.077 0.000 1.171 113 D CA -2.046 52.012 54.000 0.097 0.000 0.856 113 D CB 1.935 42.789 40.800 0.090 0.000 1.090 113 D HN -0.057 nan 8.370 nan 0.000 0.476 114 P HA -0.138 nan 4.420 nan 0.000 0.218 114 P C 1.653 178.955 177.300 0.003 0.000 1.146 114 P CA 0.655 63.777 63.100 0.037 0.000 0.820 114 P CB 0.273 31.982 31.700 0.014 0.000 0.778 115 I N -1.083 119.473 120.570 -0.024 0.000 2.454 115 I HA -0.192 3.993 4.170 0.024 0.000 0.254 115 I C 1.701 177.786 176.117 -0.053 0.000 1.156 115 I CA 1.100 62.384 61.300 -0.027 0.000 1.433 115 I CB 0.004 37.996 38.000 -0.014 0.000 1.082 115 I HN -0.190 nan 8.210 nan 0.000 0.432 116 V N 0.754 120.636 119.914 -0.053 0.000 2.343 116 V HA -0.280 3.854 4.120 0.024 0.000 0.247 116 V C 2.369 178.248 176.094 -0.359 0.000 1.051 116 V CA 1.686 63.889 62.300 -0.163 0.000 1.036 116 V CB -0.710 31.061 31.823 -0.087 0.000 0.654 116 V HN 0.457 nan 8.190 nan 0.000 0.451 117 L N 1.279 122.349 121.223 -0.254 0.000 2.079 117 L HA -0.191 4.163 4.340 0.024 0.000 0.210 117 L C 2.729 179.499 176.870 -0.167 0.000 1.081 117 L CA 2.821 57.522 54.840 -0.231 0.000 0.752 117 L CB -1.067 41.020 42.059 0.047 0.000 0.896 117 L HN 0.617 nan 8.230 nan 0.000 0.433 118 T N -3.198 111.292 114.554 -0.107 0.000 2.881 118 T HA -0.160 4.205 4.350 0.024 0.000 0.270 118 T C 1.526 176.168 174.700 -0.097 0.000 1.068 118 T CA 1.560 63.615 62.100 -0.075 0.000 1.131 118 T CB -0.504 68.339 68.868 -0.041 0.000 0.871 118 T HN 0.379 nan 8.240 nan 0.000 0.479 119 L N 1.714 122.852 121.223 -0.142 0.000 2.818 119 L HA 0.326 4.680 4.340 0.024 0.000 0.243 119 L C 2.285 179.039 176.870 -0.194 0.000 1.185 119 L CA 0.097 54.852 54.840 -0.142 0.000 0.988 119 L CB 0.154 42.136 42.059 -0.128 0.000 1.292 119 L HN 0.328 nan 8.230 nan 0.000 0.519 120 S N -1.162 114.390 115.700 -0.247 0.000 2.474 120 S HA -0.197 4.288 4.470 0.024 0.000 0.235 120 S C 1.849 176.359 174.600 -0.150 0.000 0.997 120 S CA 0.519 58.542 58.200 -0.295 0.000 0.949 120 S CB -0.140 62.835 63.200 -0.375 0.000 0.766 120 S HN 0.470 nan 8.310 nan 0.000 0.517 121 Q N 2.004 121.745 119.800 -0.099 0.000 2.135 121 Q HA -0.104 4.251 4.340 0.024 0.000 0.204 121 Q C 2.093 178.068 176.000 -0.043 0.000 0.981 121 Q CA 2.095 57.866 55.803 -0.054 0.000 0.856 121 Q CB -1.179 27.536 28.738 -0.039 0.000 0.902 121 Q HN 0.675 nan 8.270 nan 0.000 0.425 122 G N 0.597 109.364 108.800 -0.055 0.000 2.443 122 G HA2 -0.147 3.827 3.960 0.024 0.000 0.219 122 G HA3 -0.147 3.827 3.960 0.024 0.000 0.219 122 G C 1.535 176.452 174.900 0.028 0.000 1.131 122 G CA 0.474 45.567 45.100 -0.013 0.000 0.775 122 G HN 0.347 nan 8.290 nan 0.000 0.547 123 L N -0.255 120.919 121.223 -0.082 0.000 2.179 123 L HA 0.170 4.524 4.340 0.024 0.000 0.208 123 L C 2.471 179.260 176.870 -0.135 0.000 1.096 123 L CA 0.344 55.099 54.840 -0.143 0.000 0.779 123 L CB -0.187 41.659 42.059 -0.356 0.000 0.922 123 L HN 0.160 nan 8.230 nan 0.000 0.443 124 L N -0.032 121.149 121.223 -0.069 0.000 2.554 124 L HA 0.111 4.465 4.340 0.024 0.000 0.226 124 L C 1.299 178.136 176.870 -0.055 0.000 1.137 124 L CA -0.368 54.443 54.840 -0.049 0.000 0.863 124 L CB -0.276 41.781 42.059 -0.003 0.000 0.985 124 L HN 0.099 nan 8.230 nan 0.000 0.451 125 A N 0.351 123.155 122.820 -0.027 0.000 2.915 125 A HA 0.306 4.641 4.320 0.024 0.000 0.292 125 A C 0.481 178.122 177.584 0.094 0.000 1.632 125 A CA 0.151 52.215 52.037 0.046 0.000 1.337 125 A CB -0.154 18.898 19.000 0.087 0.000 1.111 125 A HN 0.178 nan 8.150 nan 0.000 0.569 126 S N 1.510 117.228 115.700 0.030 0.000 2.687 126 S HA 0.602 5.086 4.470 0.024 0.000 0.283 126 S C 0.832 175.480 174.600 0.080 0.000 1.170 126 S CA 0.083 58.322 58.200 0.065 0.000 1.008 126 S CB 0.559 63.762 63.200 0.004 0.000 1.026 126 S HN 0.936 nan 8.310 nan 0.000 0.541 127 T N 1.978 116.588 114.554 0.094 0.000 2.855 127 T HA 0.239 4.603 4.350 0.024 0.000 0.314 127 T C -1.749 172.976 174.700 0.042 0.000 1.077 127 T CA -0.978 61.159 62.100 0.061 0.000 1.095 127 T CB 0.158 69.059 68.868 0.055 0.000 0.987 127 T HN 0.531 nan 8.240 nan 0.000 0.546 128 P HA -0.029 nan 4.420 nan 0.000 0.219 128 P C 1.008 178.322 177.300 0.023 0.000 1.150 128 P CA 0.973 64.087 63.100 0.024 0.000 0.814 128 P CB 0.136 31.848 31.700 0.019 0.000 0.787 129 E N 0.291 120.506 120.200 0.025 0.000 2.106 129 E HA 0.017 4.381 4.350 0.024 0.000 0.192 129 E C 1.666 178.283 176.600 0.029 0.000 0.984 129 E CA 1.027 57.442 56.400 0.024 0.000 0.806 129 E CB -1.011 28.703 29.700 0.024 0.000 0.750 129 E HN 0.267 nan 8.360 nan 0.000 0.458 130 G N -0.258 108.564 108.800 0.036 0.000 2.525 130 G HA2 0.538 4.512 3.960 0.024 0.000 0.287 130 G HA3 0.538 4.512 3.960 0.024 0.000 0.287 130 G C -0.578 174.341 174.900 0.032 0.000 1.350 130 G CA -0.653 44.472 45.100 0.042 0.000 1.039 130 G HN -0.014 nan 8.290 nan 0.000 0.513 131 R N -1.055 119.462 120.500 0.028 0.000 2.584 131 R HA 0.548 4.903 4.340 0.024 0.000 0.276 131 R C -0.968 175.329 176.300 -0.006 0.000 1.046 131 R CA -0.638 55.470 56.100 0.013 0.000 0.906 131 R CB 2.317 32.626 30.300 0.015 0.000 1.215 131 R HN 0.797 nan 8.270 nan 0.000 0.449 132 T N -1.132 113.407 114.554 -0.026 0.000 2.906 132 T HA 0.919 5.284 4.350 0.024 0.000 0.295 132 T C -0.814 173.897 174.700 0.017 0.000 1.075 132 T CA -0.889 61.186 62.100 -0.043 0.000 1.005 132 T CB 2.321 71.105 68.868 -0.139 0.000 1.136 132 T HN 0.675 nan 8.240 nan 0.000 0.498 133 A N 0.949 123.810 122.820 0.070 0.000 2.606 133 A HA 0.771 5.105 4.320 0.024 0.000 0.293 133 A C -2.087 175.633 177.584 0.226 0.000 1.082 133 A CA -0.961 51.142 52.037 0.110 0.000 0.685 133 A CB 1.535 20.566 19.000 0.052 0.000 1.284 133 A HN 1.176 nan 8.150 nan 0.000 0.408 134 Y N 0.782 121.138 120.300 0.094 0.000 2.442 134 Y HA 0.645 5.209 4.550 0.024 0.000 0.344 134 Y C -1.439 174.504 175.900 0.073 0.000 0.976 134 Y CA -0.780 57.389 58.100 0.115 0.000 1.040 134 Y CB 2.034 40.541 38.460 0.079 0.000 1.228 134 Y HN 0.588 nan 8.280 nan 0.000 0.451 135 V N 5.878 125.318 119.914 -0.790 0.000 2.588 135 V HA 0.308 4.442 4.120 0.024 0.000 0.304 135 V C -0.778 174.799 176.094 -0.863 0.000 1.042 135 V CA -1.024 60.932 62.300 -0.574 0.000 0.877 135 V CB 1.779 33.448 31.823 -0.257 0.000 0.996 135 V HN 0.790 nan 8.190 nan 0.000 0.425 136 E N 3.215 123.148 120.200 -0.446 0.000 2.115 136 E HA 0.701 5.066 4.350 0.024 0.000 0.282 136 E C -0.453 176.089 176.600 -0.096 0.000 0.987 136 E CA -0.127 56.164 56.400 -0.183 0.000 0.797 136 E CB 1.161 30.901 29.700 0.068 0.000 1.086 136 E HN 0.933 nan 8.360 nan 0.000 0.397 137 A N 4.165 126.943 122.820 -0.071 0.000 2.586 137 A HA 0.331 4.665 4.320 0.024 0.000 0.291 137 A C -1.429 176.148 177.584 -0.011 0.000 1.062 137 A CA -0.899 51.115 52.037 -0.038 0.000 0.666 137 A CB 1.636 20.602 19.000 -0.056 0.000 1.281 137 A HN 0.660 nan 8.150 nan 0.000 0.421 141 D N 0.043 120.448 120.400 0.009 0.000 2.443 141 D HA 0.392 5.047 4.640 0.024 0.000 0.281 141 D C -1.887 174.414 176.300 0.002 0.000 1.210 141 D CA -1.631 52.372 54.000 0.004 0.000 0.875 141 D CB 1.554 42.355 40.800 0.002 0.000 1.125 141 D HN -0.109 nan 8.370 nan 0.000 0.503 142 P HA -0.101 nan 4.420 nan 0.000 0.219 142 P C 1.204 178.503 177.300 -0.001 0.000 1.146 142 P CA 1.051 64.152 63.100 0.003 0.000 0.808 142 P CB 0.330 32.033 31.700 0.004 0.000 0.779 143 A N 0.308 123.127 122.820 -0.002 0.000 1.902 143 A HA -0.197 4.138 4.320 0.024 0.000 0.217 143 A C 2.376 179.957 177.584 -0.006 0.000 1.181 143 A CA 2.312 54.347 52.037 -0.004 0.000 0.623 143 A CB -1.617 17.382 19.000 -0.003 0.000 0.818 143 A HN 0.356 nan 8.150 nan 0.000 0.443 144 S N -0.384 115.312 115.700 -0.007 0.000 2.442 144 S HA -0.059 4.425 4.470 0.024 0.000 0.236 144 S C 1.758 176.347 174.600 -0.019 0.000 1.007 144 S CA 1.366 59.559 58.200 -0.012 0.000 0.965 144 S CB -0.586 62.607 63.200 -0.011 0.000 0.773 144 S HN 0.497 nan 8.310 nan 0.000 0.504 145 I N 0.814 121.374 120.570 -0.017 0.000 2.364 145 I HA 0.022 4.206 4.170 0.024 0.000 0.241 145 I C 2.373 178.480 176.117 -0.016 0.000 1.082 145 I CA 0.692 61.979 61.300 -0.022 0.000 1.401 145 I CB -0.320 37.671 38.000 -0.015 0.000 1.126 145 I HN 0.219 nan 8.210 nan 0.000 0.429 146 L N 0.568 121.785 121.223 -0.009 0.000 2.079 146 L HA -0.222 4.133 4.340 0.024 0.000 0.210 146 L C 1.425 178.291 176.870 -0.008 0.000 1.081 146 L CA 1.227 56.063 54.840 -0.007 0.000 0.752 146 L CB -0.545 41.511 42.059 -0.004 0.000 0.896 146 L HN 0.298 nan 8.230 nan 0.000 0.433 147 D N 0.298 120.693 120.400 -0.008 0.000 2.340 147 D HA 0.122 4.776 4.640 0.024 0.000 0.220 147 D C 0.837 177.132 176.300 -0.009 0.000 1.039 147 D CA 0.212 54.208 54.000 -0.007 0.000 0.866 147 D CB 0.075 40.872 40.800 -0.006 0.000 0.913 147 D HN 0.173 nan 8.370 nan 0.000 0.523 148 A N 1.944 124.756 122.820 -0.014 0.000 2.524 148 A HA 0.183 4.517 4.320 0.024 0.000 0.250 148 A C -1.226 176.351 177.584 -0.012 0.000 1.078 148 A CA -0.761 51.266 52.037 -0.017 0.000 0.761 148 A CB 0.527 19.509 19.000 -0.029 0.000 1.012 148 A HN -0.064 nan 8.150 nan 0.000 0.500 149 P HA -0.164 nan 4.420 nan 0.000 0.216 149 P C 0.888 178.187 177.300 -0.002 0.000 1.150 149 P CA 1.493 64.592 63.100 -0.003 0.000 0.837 149 P CB 0.194 31.894 31.700 -0.000 0.000 0.786 150 E N -0.712 119.486 120.200 -0.004 0.000 2.153 150 E HA -0.147 4.217 4.350 0.024 0.000 0.194 150 E C 1.974 178.573 176.600 -0.002 0.000 0.988 150 E CA 0.744 57.144 56.400 0.001 0.000 0.811 150 E CB -0.981 28.718 29.700 -0.001 0.000 0.746 150 E HN 0.222 nan 8.360 nan 0.000 0.466 151 L N 0.191 121.408 121.223 -0.009 0.000 2.068 151 L HA -0.082 4.273 4.340 0.024 0.000 0.204 151 L C 2.006 178.873 176.870 -0.004 0.000 1.076 151 L CA 1.084 55.919 54.840 -0.009 0.000 0.753 151 L CB 0.085 42.136 42.059 -0.013 0.000 0.910 151 L HN -0.013 nan 8.230 nan 0.000 0.439 152 R N 0.171 120.669 120.500 -0.004 0.000 2.152 152 R HA -0.107 4.248 4.340 0.024 0.000 0.232 152 R C 1.401 177.701 176.300 0.000 0.000 1.117 152 R CA 1.105 57.204 56.100 -0.002 0.000 0.981 152 R CB -0.829 29.469 30.300 -0.002 0.000 0.870 152 R HN 0.479 nan 8.270 nan 0.000 0.451 153 D N -0.825 119.576 120.400 0.002 0.000 2.349 153 D HA 0.011 4.665 4.640 0.024 0.000 0.215 153 D C 1.010 177.313 176.300 0.006 0.000 1.016 153 D CA 0.772 54.775 54.000 0.004 0.000 0.870 153 D CB 0.441 41.245 40.800 0.006 0.000 0.917 153 D HN 0.160 nan 8.370 nan 0.000 0.524 154 T N -0.412 114.144 114.554 0.004 0.000 3.071 154 T HA 0.232 4.597 4.350 0.024 0.000 0.239 154 T C 1.011 175.715 174.700 0.005 0.000 0.997 154 T CA 0.023 62.126 62.100 0.006 0.000 1.134 154 T CB 0.871 69.742 68.868 0.005 0.000 0.928 154 T HN -0.056 nan 8.240 nan 0.000 0.453 155 L N 1.942 123.165 121.223 0.001 0.000 2.331 155 L HA 0.573 4.928 4.340 0.024 0.000 0.275 155 L C -0.731 176.137 176.870 -0.003 0.000 1.022 155 L CA -1.036 53.803 54.840 -0.001 0.000 0.812 155 L CB 1.227 43.282 42.059 -0.005 0.000 1.257 155 L HN 0.052 nan 8.230 nan 0.000 0.435 156 D N 2.413 122.809 120.400 -0.006 0.000 2.454 156 D HA 0.235 4.890 4.640 0.024 0.000 0.225 156 D C 0.602 176.896 176.300 -0.010 0.000 1.081 156 D CA -0.278 53.719 54.000 -0.006 0.000 0.864 156 D CB 1.093 41.890 40.800 -0.004 0.000 1.040 156 D HN 0.401 nan 8.370 nan 0.000 0.517 157 L N 2.818 124.036 121.223 -0.008 0.000 2.622 157 L HA -0.004 4.351 4.340 0.024 0.000 0.233 157 L C 1.944 178.809 176.870 -0.009 0.000 1.156 157 L CA 0.778 55.612 54.840 -0.010 0.000 0.866 157 L CB -0.513 41.541 42.059 -0.008 0.000 0.980 157 L HN 0.448 nan 8.230 nan 0.000 0.448 158 T N -3.680 110.869 114.554 -0.008 0.000 3.107 158 T HA 0.143 4.508 4.350 0.024 0.000 0.249 158 T C 0.913 175.608 174.700 -0.008 0.000 1.096 158 T CA -0.227 61.869 62.100 -0.007 0.000 1.012 158 T CB 0.195 69.060 68.868 -0.005 0.000 0.977 158 T HN 0.209 nan 8.240 nan 0.000 0.527 159 R N 1.181 121.674 120.500 -0.011 0.000 2.832 159 R HA 0.537 4.891 4.340 0.024 0.000 0.271 159 R C -3.097 173.191 176.300 -0.021 0.000 0.996 159 R CA -2.661 53.431 56.100 -0.014 0.000 0.977 159 R CB 0.994 31.286 30.300 -0.013 0.000 1.168 159 R HN 0.049 nan 8.270 nan 0.000 0.482 160 P HA 0.012 nan 4.420 nan 0.000 0.265 160 P C -0.973 176.289 177.300 -0.062 0.000 1.193 160 P CA 0.063 63.151 63.100 -0.019 0.000 0.765 160 P CB 0.598 32.302 31.700 0.008 0.000 0.823 161 V N 2.835 122.715 119.914 -0.057 0.000 2.588 161 V HA 0.608 4.743 4.120 0.024 0.000 0.304 161 V C 0.032 176.071 176.094 -0.091 0.000 1.042 161 V CA -0.953 61.280 62.300 -0.111 0.000 0.877 161 V CB 1.938 33.727 31.823 -0.057 0.000 0.996 161 V HN 0.570 nan 8.190 nan 0.000 0.425 162 A N 4.758 127.432 122.820 -0.243 0.000 2.269 162 A HA 0.689 5.024 4.320 0.024 0.000 0.302 162 A C -0.690 176.904 177.584 0.016 0.000 1.266 162 A CA -0.295 51.674 52.037 -0.114 0.000 0.894 162 A CB 0.320 19.122 19.000 -0.329 0.000 1.147 162 A HN 0.815 nan 8.150 nan 0.000 0.537 163 L N 4.358 125.630 121.223 0.083 0.000 2.283 163 L HA 0.460 4.814 4.340 0.024 0.000 0.287 163 L C 0.512 177.459 176.870 0.129 0.000 1.073 163 L CA 0.412 55.306 54.840 0.090 0.000 0.822 163 L CB 0.677 42.777 42.059 0.069 0.000 1.186 163 L HN 0.644 nan 8.230 nan 0.000 0.436 164 T N 2.311 116.950 114.554 0.141 0.000 2.743 164 T HA 0.608 4.973 4.350 0.024 0.000 0.292 164 T C -0.282 174.499 174.700 0.136 0.000 0.972 164 T CA -0.696 61.500 62.100 0.160 0.000 0.967 164 T CB 1.074 70.046 68.868 0.173 0.000 0.926 164 T HN 0.281 nan 8.240 nan 0.000 0.459 165 V N 5.481 125.471 119.914 0.128 0.000 2.315 165 V HA 0.374 4.508 4.120 0.024 0.000 0.265 165 V C -0.338 175.808 176.094 0.087 0.000 1.019 165 V CA -0.702 61.648 62.300 0.082 0.000 0.824 165 V CB 0.009 31.847 31.823 0.025 0.000 1.072 165 V HN 0.906 nan 8.190 nan 0.000 0.448 166 I N 2.709 123.354 120.570 0.124 0.000 2.362 166 I HA 0.614 4.798 4.170 0.024 0.000 0.289 166 I C 0.958 177.129 176.117 0.089 0.000 0.994 166 I CA -0.755 60.629 61.300 0.141 0.000 1.158 166 I CB 1.694 39.840 38.000 0.242 0.000 1.315 166 I HN 0.646 nan 8.210 nan 0.000 0.451 167 A N 5.010 127.866 122.820 0.061 0.000 2.872 167 A HA -0.218 4.117 4.320 0.024 0.000 0.273 167 A C 0.759 178.425 177.584 0.138 0.000 1.442 167 A CA 1.638 53.745 52.037 0.118 0.000 0.801 167 A CB -1.830 17.155 19.000 -0.025 0.000 1.031 167 A HN 0.891 nan 8.150 nan 0.000 0.582 168 I N -3.043 117.547 120.570 0.032 0.000 4.530 168 I HA 0.134 4.318 4.170 0.024 0.000 0.318 168 I C 1.650 177.698 176.117 -0.116 0.000 1.257 168 I CA 0.860 62.152 61.300 -0.014 0.000 1.301 168 I CB 0.641 38.673 38.000 0.054 0.000 1.297 168 I HN 0.193 nan 8.210 nan 0.000 0.451 169 V N 3.252 123.114 119.914 -0.086 0.000 2.720 169 V HA -0.237 3.898 4.120 0.024 0.000 0.256 169 V C 2.399 178.443 176.094 -0.084 0.000 1.082 169 V CA 2.319 64.579 62.300 -0.067 0.000 1.101 169 V CB -1.052 30.688 31.823 -0.138 0.000 0.693 169 V HN 0.650 nan 8.190 nan 0.000 0.479 170 H N -2.409 116.543 119.070 -0.197 0.000 2.545 170 H HA -0.077 4.495 4.556 0.026 0.000 0.282 170 H C 1.543 176.632 175.328 -0.398 0.000 1.020 170 H CA 1.078 56.934 56.048 -0.319 0.000 1.243 170 H CB -0.561 28.936 29.762 -0.442 0.000 1.377 170 H HN 0.545 nan 8.280 nan 0.000 0.581 171 F N 1.302 121.035 119.950 -0.361 0.000 2.732 171 F HA 0.218 4.760 4.527 0.026 0.000 0.303 171 F C 0.516 176.261 175.800 -0.091 0.000 1.110 171 F CA -0.240 57.631 58.000 -0.216 0.000 1.355 171 F CB 0.571 39.417 39.000 -0.256 0.000 1.081 171 F HN -0.093 nan 8.300 nan 0.000 0.565 172 V N 2.694 122.648 119.914 0.066 0.000 2.357 172 V HA 0.288 4.423 4.120 0.024 0.000 0.284 172 V C 0.202 176.335 176.094 0.065 0.000 1.018 172 V CA -1.014 61.330 62.300 0.074 0.000 0.841 172 V CB 1.359 33.230 31.823 0.080 0.000 0.991 172 V HN 0.027 nan 8.190 nan 0.000 0.437 173 L N 2.823 124.080 121.223 0.056 0.000 2.439 173 L HA 0.377 4.732 4.340 0.024 0.000 0.261 173 L C 1.338 178.230 176.870 0.037 0.000 1.153 173 L CA -0.531 54.336 54.840 0.044 0.000 0.808 173 L CB 0.513 42.595 42.059 0.039 0.000 1.126 173 L HN 0.519 nan 8.230 nan 0.000 0.460 174 D N 0.553 120.969 120.400 0.027 0.000 2.182 174 D HA -0.195 4.460 4.640 0.024 0.000 0.201 174 D C 1.823 178.126 176.300 0.004 0.000 0.986 174 D CA 1.500 55.506 54.000 0.011 0.000 0.847 174 D CB 0.086 40.889 40.800 0.004 0.000 0.942 174 D HN 0.683 nan 8.370 nan 0.000 0.467 175 E N 0.327 120.533 120.200 0.009 0.000 2.333 175 E HA -0.162 4.202 4.350 0.024 0.000 0.198 175 E C 0.601 177.205 176.600 0.007 0.000 1.007 175 E CA 0.914 57.318 56.400 0.006 0.000 0.845 175 E CB -0.040 29.666 29.700 0.009 0.000 0.766 175 E HN 0.187 nan 8.360 nan 0.000 0.507 176 D N 1.049 121.456 120.400 0.013 0.000 2.349 176 D HA -0.013 4.641 4.640 0.024 0.000 0.214 176 D C -0.286 176.019 176.300 0.008 0.000 1.063 176 D CA 0.334 54.342 54.000 0.014 0.000 0.847 176 D CB 0.026 40.840 40.800 0.024 0.000 0.933 176 D HN 0.075 nan 8.370 nan 0.000 0.513 177 D N 0.322 120.721 120.400 -0.002 0.000 3.133 177 D HA -0.213 4.441 4.640 0.024 0.000 0.239 177 D C 1.177 177.470 176.300 -0.011 0.000 1.136 177 D CA 0.551 54.538 54.000 -0.023 0.000 0.898 177 D CB -0.925 39.857 40.800 -0.031 0.000 0.959 177 D HN 0.165 nan 8.370 nan 0.000 0.415 178 A N 1.066 123.897 122.820 0.019 0.000 1.917 178 A HA -0.182 4.152 4.320 0.024 0.000 0.219 178 A C 2.487 180.127 177.584 0.094 0.000 1.182 178 A CA 1.909 54.011 52.037 0.108 0.000 0.633 178 A CB -0.344 18.794 19.000 0.228 0.000 0.819 178 A HN 0.516 nan 8.150 nan 0.000 0.448 179 V N -0.220 119.575 119.914 -0.199 0.000 2.343 179 V HA -0.196 3.939 4.120 0.024 0.000 0.247 179 V C 2.797 178.806 176.094 -0.142 0.000 1.051 179 V CA 2.031 64.082 62.300 -0.414 0.000 1.036 179 V CB -1.454 30.002 31.823 -0.612 0.000 0.654 179 V HN 0.627 nan 8.190 nan 0.000 0.451 180 G N -0.276 108.467 108.800 -0.095 0.000 2.402 180 G HA2 -0.188 3.786 3.960 0.024 0.000 0.216 180 G HA3 -0.188 3.786 3.960 0.024 0.000 0.216 180 G C 1.586 176.478 174.900 -0.015 0.000 1.162 180 G CA 0.911 45.980 45.100 -0.052 0.000 0.777 180 G HN 0.476 nan 8.290 nan 0.000 0.539 181 I N 0.322 120.897 120.570 0.008 0.000 2.163 181 I HA -0.178 4.006 4.170 0.024 0.000 0.243 181 I C 2.786 178.926 176.117 0.037 0.000 1.085 181 I CA 0.609 61.925 61.300 0.026 0.000 1.347 181 I CB -0.299 37.726 38.000 0.042 0.000 1.044 181 I HN 0.028 nan 8.210 nan 0.000 0.408 182 V N 0.812 120.767 119.914 0.069 0.000 2.295 182 V HA -0.234 3.900 4.120 0.024 0.000 0.246 182 V C 2.562 178.674 176.094 0.029 0.000 1.049 182 V CA 1.695 64.039 62.300 0.073 0.000 1.024 182 V CB -0.691 31.230 31.823 0.164 0.000 0.648 182 V HN 0.367 nan 8.190 nan 0.000 0.447 183 R N -0.057 120.449 120.500 0.009 0.000 2.189 183 R HA -0.068 4.286 4.340 0.024 0.000 0.223 183 R C 2.236 178.531 176.300 -0.008 0.000 1.092 183 R CA 0.873 56.965 56.100 -0.013 0.000 0.989 183 R CB -0.805 29.473 30.300 -0.037 0.000 0.876 183 R HN 0.381 nan 8.270 nan 0.000 0.457 184 R N 1.092 121.590 120.500 -0.003 0.000 2.090 184 R HA 0.038 4.392 4.340 0.024 0.000 0.228 184 R C 2.049 178.350 176.300 0.002 0.000 1.110 184 R CA 1.111 57.210 56.100 -0.002 0.000 0.973 184 R CB -0.575 29.724 30.300 -0.001 0.000 0.869 184 R HN 0.183 nan 8.270 nan 0.000 0.440 185 L N -0.191 121.037 121.223 0.008 0.000 2.156 185 L HA -0.039 4.316 4.340 0.024 0.000 0.208 185 L C 1.938 178.813 176.870 0.009 0.000 1.095 185 L CA 0.448 55.294 54.840 0.011 0.000 0.770 185 L CB -0.321 41.749 42.059 0.019 0.000 0.914 185 L HN 0.205 nan 8.230 nan 0.000 0.439 186 L N -0.686 120.542 121.223 0.008 0.000 2.313 186 L HA -0.061 4.294 4.340 0.024 0.000 0.214 186 L C 2.441 179.311 176.870 0.000 0.000 1.119 186 L CA 1.350 56.194 54.840 0.007 0.000 0.809 186 L CB -0.539 41.523 42.059 0.004 0.000 0.933 186 L HN 0.126 nan 8.230 nan 0.000 0.449 187 E N 0.594 120.792 120.200 -0.003 0.000 2.070 187 E HA -0.178 4.187 4.350 0.024 0.000 0.197 187 E C -0.619 175.978 176.600 -0.005 0.000 1.004 187 E CA 2.008 58.405 56.400 -0.006 0.000 0.805 187 E CB -1.204 28.493 29.700 -0.006 0.000 0.744 187 E HN 0.443 nan 8.360 nan 0.000 0.451 188 P HA 0.026 nan 4.420 nan 0.000 0.245 188 P C 0.292 177.589 177.300 -0.005 0.000 1.212 188 P CA 0.267 63.364 63.100 -0.005 0.000 0.774 188 P CB -0.044 31.653 31.700 -0.004 0.000 0.999 189 L N 2.382 123.603 121.223 -0.005 0.000 2.371 189 L HA 0.342 4.696 4.340 0.024 0.000 0.272 189 L C -1.898 174.967 176.870 -0.009 0.000 1.124 189 L CA -2.260 52.576 54.840 -0.006 0.000 0.816 189 L CB 0.377 42.435 42.059 -0.001 0.000 1.129 189 L HN -0.138 nan 8.230 nan 0.000 0.448 190 P HA 0.136 nan 4.420 nan 0.000 0.277 190 P C -0.563 176.725 177.300 -0.020 0.000 1.271 190 P CA -0.578 62.513 63.100 -0.014 0.000 0.795 190 P CB 0.742 32.435 31.700 -0.012 0.000 1.101 191 S N -0.674 115.012 115.700 -0.023 0.000 2.558 191 S HA 0.324 4.809 4.470 0.024 0.000 0.288 191 S C 1.498 176.075 174.600 -0.038 0.000 1.318 191 S CA 1.255 59.435 58.200 -0.034 0.000 1.056 191 S CB -0.725 62.459 63.200 -0.026 0.000 0.853 191 S HN 0.944 nan 8.310 nan 0.000 0.505 192 G N 2.217 110.973 108.800 -0.073 0.000 2.213 192 G HA2 -0.253 3.722 3.960 0.024 0.000 0.236 192 G HA3 -0.253 3.722 3.960 0.024 0.000 0.236 192 G C 0.367 175.234 174.900 -0.055 0.000 0.991 192 G CA 0.157 45.216 45.100 -0.068 0.000 0.629 192 G HN 0.701 nan 8.290 nan 0.000 0.517 193 S N -0.599 115.072 115.700 -0.048 0.000 2.617 193 S HA 0.694 5.178 4.470 0.024 0.000 0.255 193 S C -0.274 174.307 174.600 -0.032 0.000 1.318 193 S CA 0.293 58.511 58.200 0.030 0.000 0.978 193 S CB 0.557 63.764 63.200 0.011 0.000 0.961 193 S HN 0.401 nan 8.310 nan 0.000 0.582 194 Y N -0.659 119.647 120.300 0.009 0.000 2.588 194 Y HA 0.617 5.181 4.550 0.023 0.000 0.343 194 Y C -0.758 175.194 175.900 0.086 0.000 1.065 194 Y CA -0.970 57.171 58.100 0.069 0.000 1.038 194 Y CB 1.317 39.823 38.460 0.077 0.000 1.297 194 Y HN 0.413 nan 8.280 nan 0.000 0.467 195 L N 2.045 123.470 121.223 0.336 0.000 2.356 195 L HA 0.967 5.321 4.340 0.024 0.000 0.277 195 L C -0.870 176.245 176.870 0.409 0.000 0.996 195 L CA -0.408 54.594 54.840 0.271 0.000 0.822 195 L CB 0.940 43.090 42.059 0.152 0.000 1.256 195 L HN 0.715 nan 8.230 nan 0.000 0.413 199 I N 2.568 123.049 120.570 -0.149 0.000 2.447 199 I HA 0.571 4.755 4.170 0.024 0.000 0.287 199 I C 0.918 177.019 176.117 -0.027 0.000 1.023 199 I CA -0.753 60.511 61.300 -0.059 0.000 1.083 199 I CB 1.890 39.876 38.000 -0.023 0.000 1.245 199 I HN 0.957 nan 8.210 nan 0.000 0.434 200 G N 3.253 112.001 108.800 -0.087 0.000 2.398 200 G HA2 0.392 4.367 3.960 0.024 0.000 0.246 200 G HA3 0.392 4.367 3.960 0.024 0.000 0.246 200 G C -0.331 174.521 174.900 -0.080 0.000 1.289 200 G CA 0.166 45.158 45.100 -0.180 0.000 0.869 200 G HN 0.523 nan 8.290 nan 0.000 0.543 201 T N -0.314 114.171 114.554 -0.116 0.000 2.916 201 T HA 0.540 4.904 4.350 0.024 0.000 0.305 201 T C 0.716 175.342 174.700 -0.123 0.000 1.119 201 T CA 0.306 62.365 62.100 -0.067 0.000 1.008 201 T CB 1.603 70.430 68.868 -0.069 0.000 1.129 201 T HN 0.869 nan 8.240 nan 0.000 0.480 202 A N 2.467 125.216 122.820 -0.118 0.000 2.267 202 A HA 0.290 4.625 4.320 0.024 0.000 0.213 202 A C 1.637 179.125 177.584 -0.160 0.000 1.192 202 A CA 0.401 52.333 52.037 -0.175 0.000 0.851 202 A CB -0.370 18.533 19.000 -0.162 0.000 0.881 202 A HN 0.938 nan 8.150 nan 0.000 0.494 203 E N -0.571 119.532 120.200 -0.162 0.000 2.233 203 E HA -0.231 4.133 4.350 0.024 0.000 0.199 203 E C 0.773 177.097 176.600 -0.460 0.000 1.004 203 E CA 1.442 57.644 56.400 -0.331 0.000 0.819 203 E CB -0.282 29.132 29.700 -0.476 0.000 0.738 203 E HN 0.804 nan 8.360 nan 0.000 0.478 204 F N -0.792 119.083 119.950 -0.125 0.000 2.698 204 F HA 0.244 4.777 4.527 0.010 0.000 0.295 204 F C 0.955 176.693 175.800 -0.104 0.000 1.124 204 F CA 0.233 58.179 58.000 -0.089 0.000 1.426 204 F CB 0.804 39.763 39.000 -0.068 0.000 1.120 204 F HN -0.155 nan 8.300 nan 0.000 0.583 205 A N -0.176 122.611 122.820 -0.055 0.000 3.464 205 A HA 0.398 4.733 4.320 0.024 0.000 0.243 205 A C -2.016 175.414 177.584 -0.256 0.000 1.100 205 A CA -0.735 51.206 52.037 -0.159 0.000 0.957 205 A CB -0.305 18.541 19.000 -0.256 0.000 1.340 205 A HN -0.083 nan 8.150 nan 0.000 0.645 206 P HA -0.263 nan 4.420 nan 0.000 0.216 206 P C 1.555 178.753 177.300 -0.170 0.000 1.153 206 P CA 1.537 64.535 63.100 -0.170 0.000 0.858 206 P CB 0.295 31.923 31.700 -0.120 0.000 0.789 207 Q N -0.125 119.588 119.800 -0.144 0.000 2.016 207 Q HA -0.194 4.160 4.340 0.024 0.000 0.200 207 Q C 1.974 177.887 176.000 -0.146 0.000 0.978 207 Q CA 1.627 57.362 55.803 -0.113 0.000 0.833 207 Q CB -0.226 28.470 28.738 -0.070 0.000 0.895 207 Q HN 0.126 nan 8.270 nan 0.000 0.427 208 E N -0.390 119.681 120.200 -0.216 0.000 2.072 208 E HA -0.114 4.250 4.350 0.024 0.000 0.190 208 E C 1.992 178.332 176.600 -0.432 0.000 0.982 208 E CA 1.266 57.508 56.400 -0.263 0.000 0.803 208 E CB -0.030 29.501 29.700 -0.283 0.000 0.755 208 E HN 0.159 nan 8.360 nan 0.000 0.453 209 V N 0.538 120.040 119.914 -0.686 0.000 2.453 209 V HA -0.135 3.999 4.120 0.024 0.000 0.247 209 V C 2.204 178.117 176.094 -0.301 0.000 1.048 209 V CA 1.864 63.756 62.300 -0.679 0.000 1.049 209 V CB -1.024 30.324 31.823 -0.792 0.000 0.672 209 V HN 0.421 nan 8.190 nan 0.000 0.457 210 G N 0.126 108.786 108.800 -0.233 0.000 2.459 210 G HA2 -0.237 3.737 3.960 0.024 0.000 0.217 210 G HA3 -0.237 3.737 3.960 0.024 0.000 0.217 210 G C 1.717 176.577 174.900 -0.067 0.000 1.183 210 G CA 0.543 45.568 45.100 -0.124 0.000 0.776 210 G HN 0.308 nan 8.290 nan 0.000 0.552 211 R N 0.111 120.572 120.500 -0.065 0.000 2.091 211 R HA -0.054 4.301 4.340 0.024 0.000 0.238 211 R C 2.724 179.043 176.300 0.032 0.000 1.136 211 R CA 1.093 57.187 56.100 -0.011 0.000 0.959 211 R CB -1.212 29.086 30.300 -0.004 0.000 0.856 211 R HN 0.363 nan 8.270 nan 0.000 0.437 212 V N 1.306 121.244 119.914 0.040 0.000 2.343 212 V HA -0.243 3.892 4.120 0.024 0.000 0.247 212 V C 2.595 178.826 176.094 0.228 0.000 1.051 212 V CA 1.871 64.255 62.300 0.141 0.000 1.036 212 V CB -0.899 31.049 31.823 0.207 0.000 0.654 212 V HN 0.341 nan 8.190 nan 0.000 0.451 213 A N 0.073 122.973 122.820 0.133 0.000 1.908 213 A HA -0.246 4.088 4.320 0.024 0.000 0.218 213 A C 2.354 180.037 177.584 0.166 0.000 1.181 213 A CA 1.929 54.054 52.037 0.146 0.000 0.627 213 A CB -0.510 18.497 19.000 0.012 0.000 0.818 213 A HN 0.534 nan 8.150 nan 0.000 0.445 214 R N -0.607 119.951 120.500 0.097 0.000 2.189 214 R HA -0.052 4.302 4.340 0.024 0.000 0.223 214 R C 1.844 178.201 176.300 0.095 0.000 1.092 214 R CA 0.987 57.136 56.100 0.082 0.000 0.989 214 R CB -0.147 30.178 30.300 0.043 0.000 0.876 214 R HN 0.513 nan 8.270 nan 0.000 0.457 215 E N 0.129 120.389 120.200 0.099 0.000 2.072 215 E HA -0.167 4.198 4.350 0.024 0.000 0.191 215 E C 1.750 178.385 176.600 0.058 0.000 0.985 215 E CA 1.284 57.713 56.400 0.048 0.000 0.801 215 E CB -0.171 29.529 29.700 -0.000 0.000 0.750 215 E HN 0.410 nan 8.360 nan 0.000 0.452 216 Y N 1.018 121.379 120.300 0.101 0.000 2.145 216 Y HA -0.190 4.374 4.550 0.023 0.000 0.286 216 Y C 2.486 178.452 175.900 0.109 0.000 1.145 216 Y CA 1.290 59.475 58.100 0.141 0.000 1.148 216 Y CB -0.482 38.108 38.460 0.216 0.000 0.981 216 Y HN 0.041 nan 8.280 nan 0.000 0.507 217 A N -0.028 122.941 122.820 0.249 0.000 1.933 217 A HA -0.158 4.176 4.320 0.024 0.000 0.218 217 A C 2.337 179.981 177.584 0.100 0.000 1.175 217 A CA 1.747 53.874 52.037 0.151 0.000 0.628 217 A CB -1.183 17.882 19.000 0.109 0.000 0.814 217 A HN 0.407 nan 8.150 nan 0.000 0.444 218 A N -0.778 122.091 122.820 0.080 0.000 2.119 218 A HA -0.001 4.334 4.320 0.024 0.000 0.217 218 A C 1.820 179.425 177.584 0.035 0.000 1.153 218 A CA 0.861 52.926 52.037 0.047 0.000 0.692 218 A CB -0.229 18.791 19.000 0.033 0.000 0.799 218 A HN 0.497 nan 8.150 nan 0.000 0.458 219 R N 0.318 120.845 120.500 0.046 0.000 2.694 219 R HA 0.167 4.521 4.340 0.024 0.000 0.334 219 R C -0.578 175.741 176.300 0.032 0.000 1.143 219 R CA -0.367 55.747 56.100 0.024 0.000 1.073 219 R CB -0.032 30.269 30.300 0.001 0.000 1.366 219 R HN 0.467 nan 8.270 nan 0.000 0.577 225 L N 4.273 125.485 121.223 -0.018 0.000 2.357 225 L HA 0.661 5.015 4.340 0.024 0.000 0.273 225 L C 0.521 177.408 176.870 0.028 0.000 1.080 225 L CA -0.783 54.043 54.840 -0.023 0.000 0.803 225 L CB 1.403 43.418 42.059 -0.073 0.000 1.174 225 L HN 0.503 nan 8.230 nan 0.000 0.443 226 R N -0.054 120.489 120.500 0.072 0.000 2.807 226 R HA 0.456 4.810 4.340 0.024 0.000 0.276 226 R C -0.509 175.905 176.300 0.190 0.000 0.979 226 R CA -0.746 55.430 56.100 0.127 0.000 0.928 226 R CB 2.284 32.691 30.300 0.177 0.000 1.191 226 R HN 0.722 nan 8.270 nan 0.000 0.471 227 T N -2.236 112.414 114.554 0.160 0.000 2.828 227 T HA 0.004 4.368 4.350 0.024 0.000 0.290 227 T C 1.265 176.093 174.700 0.214 0.000 1.019 227 T CA -0.434 61.781 62.100 0.193 0.000 1.031 227 T CB 0.903 69.834 68.868 0.104 0.000 1.001 227 T HN 0.643 nan 8.240 nan 0.000 0.531 228 H N 1.072 120.186 119.070 0.072 0.000 2.352 228 H HA -0.124 4.449 4.556 0.027 0.000 0.299 228 H C 2.260 177.524 175.328 -0.107 0.000 1.097 228 H CA 2.126 58.023 56.048 -0.252 0.000 1.311 228 H CB -0.569 29.049 29.762 -0.240 0.000 1.377 228 H HN 0.811 nan 8.280 nan 0.000 0.504 229 A N 0.888 123.766 122.820 0.097 0.000 1.933 229 A HA -0.165 4.170 4.320 0.024 0.000 0.218 229 A C 2.363 179.963 177.584 0.027 0.000 1.175 229 A CA 1.640 53.713 52.037 0.061 0.000 0.628 229 A CB -0.395 18.643 19.000 0.064 0.000 0.814 229 A HN 0.590 nan 8.150 nan 0.000 0.444 230 E N -0.359 119.869 120.200 0.047 0.000 2.106 230 E HA -0.037 4.328 4.350 0.024 0.000 0.192 230 E C 2.260 178.942 176.600 0.136 0.000 0.984 230 E CA 0.802 57.240 56.400 0.063 0.000 0.806 230 E CB -0.250 29.502 29.700 0.086 0.000 0.750 230 E HN 0.618 nan 8.360 nan 0.000 0.458 231 A N 1.342 124.242 122.820 0.134 0.000 1.972 231 A HA -0.224 4.110 4.320 0.024 0.000 0.219 231 A C 1.850 179.610 177.584 0.294 0.000 1.169 231 A CA 1.265 53.444 52.037 0.237 0.000 0.635 231 A CB -0.334 18.634 19.000 -0.053 0.000 0.810 231 A HN 0.160 nan 8.150 nan 0.000 0.446 232 E N -0.141 120.097 120.200 0.064 0.000 2.153 232 E HA -0.190 4.174 4.350 0.024 0.000 0.194 232 E C 1.796 178.497 176.600 0.169 0.000 0.988 232 E CA 1.098 57.563 56.400 0.108 0.000 0.811 232 E CB -0.174 29.532 29.700 0.009 0.000 0.746 232 E HN 0.725 nan 8.360 nan 0.000 0.466 233 E N 0.032 120.267 120.200 0.059 0.000 2.171 233 E HA -0.197 4.168 4.350 0.024 0.000 0.197 233 E C 1.646 178.149 176.600 -0.162 0.000 0.997 233 E CA 0.893 57.240 56.400 -0.089 0.000 0.810 233 E CB -0.181 29.384 29.700 -0.226 0.000 0.738 233 E HN 0.293 nan 8.360 nan 0.000 0.467 234 F N -0.635 119.277 119.950 -0.063 0.000 2.293 234 F HA -0.077 4.464 4.527 0.023 0.000 0.300 234 F C 1.417 176.954 175.800 -0.438 0.000 1.086 234 F CA 0.782 58.605 58.000 -0.295 0.000 1.375 234 F CB 0.029 38.724 39.000 -0.507 0.000 1.045 234 F HN -0.036 nan 8.300 nan 0.000 0.516 235 F N -0.490 119.556 119.950 0.160 0.000 2.641 235 F HA 0.172 4.714 4.527 0.025 0.000 0.302 235 F C 0.705 176.535 175.800 0.051 0.000 1.098 235 F CA -0.461 57.600 58.000 0.102 0.000 1.318 235 F CB -0.384 38.673 39.000 0.094 0.000 1.035 235 F HN -0.301 nan 8.300 nan 0.000 0.551 236 E N 0.609 120.885 120.200 0.126 0.000 2.415 236 E HA 0.197 4.562 4.350 0.024 0.000 0.263 236 E C 1.369 178.003 176.600 0.057 0.000 0.995 236 E CA 0.845 57.289 56.400 0.073 0.000 0.915 236 E CB 0.692 30.404 29.700 0.021 0.000 0.951 236 E HN 0.486 nan 8.360 nan 0.000 0.449 237 G N 2.709 111.541 108.800 0.055 0.000 2.212 237 G HA2 -0.292 3.682 3.960 0.024 0.000 0.266 237 G HA3 -0.292 3.682 3.960 0.024 0.000 0.266 237 G C 0.291 175.220 174.900 0.049 0.000 0.978 237 G CA 0.396 45.519 45.100 0.039 0.000 0.632 237 G HN 0.392 nan 8.290 nan 0.000 0.537 238 L N 0.333 121.610 121.223 0.090 0.000 2.344 238 L HA 0.554 4.908 4.340 0.024 0.000 0.272 238 L C 0.350 177.284 176.870 0.107 0.000 1.035 238 L CA -0.866 54.036 54.840 0.104 0.000 0.807 238 L CB 1.312 43.486 42.059 0.191 0.000 1.237 238 L HN 0.102 nan 8.230 nan 0.000 0.442 239 E N 2.744 122.985 120.200 0.068 0.000 2.044 239 E HA 0.294 4.658 4.350 0.024 0.000 0.282 239 E C -0.899 175.760 176.600 0.098 0.000 1.031 239 E CA -0.358 56.080 56.400 0.064 0.000 0.824 239 E CB 1.016 30.732 29.700 0.027 0.000 1.076 239 E HN 0.351 nan 8.360 nan 0.000 0.395 240 L N 3.346 124.626 121.223 0.095 0.000 2.455 240 L HA 0.050 4.405 4.340 0.024 0.000 0.272 240 L C 0.065 177.011 176.870 0.126 0.000 1.174 240 L CA -0.319 54.571 54.840 0.084 0.000 0.869 240 L CB 0.500 42.561 42.059 0.003 0.000 1.130 240 L HN 0.277 nan 8.230 nan 0.000 0.474 241 V N 2.651 122.687 119.914 0.203 0.000 2.637 241 V HA 0.013 4.147 4.120 0.024 0.000 0.296 241 V C 0.315 176.506 176.094 0.162 0.000 1.046 241 V CA -0.694 61.741 62.300 0.225 0.000 1.066 241 V CB 1.165 33.187 31.823 0.332 0.000 0.968 241 V HN 0.843 nan 8.190 nan 0.000 0.483 242 E N 7.917 128.172 120.200 0.091 0.000 2.415 242 E HA 0.106 4.471 4.350 0.024 0.000 0.262 242 E C -2.120 174.415 176.600 -0.109 0.000 1.038 242 E CA -1.242 55.162 56.400 0.006 0.000 0.921 242 E CB 0.164 29.855 29.700 -0.015 0.000 0.950 242 E HN 0.407 nan 8.360 nan 0.000 0.438 243 P HA 0.113 nan 4.420 nan 0.000 0.255 243 P C 0.562 177.865 177.300 0.006 0.000 1.301 243 P CA 0.798 63.821 63.100 -0.130 0.000 0.817 243 P CB 0.130 31.709 31.700 -0.201 0.000 1.259 244 G N 1.292 110.137 108.800 0.075 0.000 2.496 244 G HA2 -0.227 3.748 3.960 0.024 0.000 0.243 244 G HA3 -0.227 3.748 3.960 0.024 0.000 0.243 244 G C -0.690 174.265 174.900 0.091 0.000 1.176 244 G CA -0.385 44.754 45.100 0.066 0.000 0.940 244 G HN 0.193 nan 8.290 nan 0.000 0.573 245 I N 2.078 122.662 120.570 0.023 0.000 2.307 245 I HA 0.523 4.707 4.170 0.024 0.000 0.287 245 I C 0.670 176.891 176.117 0.173 0.000 1.054 245 I CA -0.703 60.568 61.300 -0.048 0.000 1.218 245 I CB 0.909 38.666 38.000 -0.404 0.000 1.398 245 I HN 0.757 nan 8.210 nan 0.000 0.475 246 V N 2.052 122.114 119.914 0.247 0.000 3.102 246 V HA 0.486 4.620 4.120 0.024 0.000 0.312 246 V C -0.319 175.961 176.094 0.311 0.000 1.135 246 V CA -1.059 61.427 62.300 0.310 0.000 1.022 246 V CB 1.694 33.625 31.823 0.181 0.000 1.056 246 V HN 0.641 nan 8.190 nan 0.000 0.436 247 Q N 0.703 120.623 119.800 0.201 0.000 2.304 247 Q HA 0.128 4.482 4.340 0.024 0.000 0.301 247 Q C 1.541 177.570 176.000 0.048 0.000 1.063 247 Q CA 0.576 56.376 55.803 -0.006 0.000 0.947 247 Q CB 1.604 30.247 28.738 -0.159 0.000 1.201 247 Q HN 1.077 nan 8.270 nan 0.000 0.389 248 V N 0.902 120.817 119.914 0.001 0.000 2.380 248 V HA -0.321 3.814 4.120 0.024 0.000 0.251 248 V C 1.968 178.235 176.094 0.289 0.000 1.063 248 V CA 2.245 64.543 62.300 -0.003 0.000 1.055 248 V CB -1.101 30.611 31.823 -0.185 0.000 0.657 248 V HN 0.967 nan 8.190 nan 0.000 0.455 249 H N 1.231 120.356 119.070 0.092 0.000 2.545 249 H HA 0.061 4.627 4.556 0.018 0.000 0.282 249 H C 1.565 176.966 175.328 0.121 0.000 1.020 249 H CA 1.451 57.568 56.048 0.115 0.000 1.243 249 H CB -0.373 29.416 29.762 0.046 0.000 1.377 249 H HN 0.499 nan 8.280 nan 0.000 0.581 250 K N -0.489 119.765 120.400 -0.243 0.000 2.358 250 K HA 0.048 4.383 4.320 0.024 0.000 0.197 250 K C -0.515 176.092 176.600 0.012 0.000 1.025 250 K CA -0.352 55.815 56.287 -0.201 0.000 1.104 250 K CB 0.343 32.659 32.500 -0.307 0.000 0.855 250 K HN 0.154 nan 8.250 nan 0.000 0.531 251 W N 3.668 124.988 121.300 0.033 0.000 2.367 251 W HA 0.086 4.759 4.660 0.021 0.000 0.329 251 W C -0.300 176.310 176.519 0.152 0.000 1.066 251 W CA -0.026 57.393 57.345 0.123 0.000 1.435 251 W CB 0.126 29.845 29.460 0.432 0.000 1.296 251 W HN 0.270 nan 8.180 nan 0.000 0.401 252 H N 4.252 123.163 119.070 -0.265 0.000 2.506 252 H HA -0.172 4.400 4.556 0.027 0.000 0.323 252 H C -2.077 173.259 175.328 0.014 0.000 1.076 252 H CA 0.638 56.535 56.048 -0.251 0.000 1.108 252 H CB -1.300 28.125 29.762 -0.562 0.000 1.569 252 H HN 0.306 nan 8.280 nan 0.000 0.399 253 P HA 0.068 nan 4.420 nan 0.000 0.272 253 P C 0.595 177.943 177.300 0.081 0.000 1.223 253 P CA -0.015 63.150 63.100 0.108 0.000 0.784 253 P CB 1.224 32.961 31.700 0.061 0.000 0.923 254 D N 0.132 120.583 120.400 0.084 0.000 2.451 254 D HA 0.213 4.867 4.640 0.024 0.000 0.259 254 D C 1.606 177.932 176.300 0.044 0.000 1.201 254 D CA -0.394 53.641 54.000 0.058 0.000 1.028 254 D CB 0.581 41.414 40.800 0.056 0.000 1.095 254 D HN 0.286 nan 8.370 nan 0.000 0.539 255 A N 0.725 123.564 122.820 0.032 0.000 1.881 255 A HA -0.210 4.124 4.320 0.024 0.000 0.219 255 A C 1.557 179.158 177.584 0.029 0.000 1.215 255 A CA 2.863 54.915 52.037 0.024 0.000 0.648 255 A CB -0.751 18.259 19.000 0.018 0.000 0.832 255 A HN 0.534 nan 8.150 nan 0.000 0.455 256 A N -1.827 121.012 122.820 0.032 0.000 2.708 256 A HA 0.440 4.774 4.320 0.024 0.000 0.293 256 A C 1.397 179.009 177.584 0.048 0.000 1.303 256 A CA 0.756 52.813 52.037 0.033 0.000 0.949 256 A CB -0.562 18.452 19.000 0.022 0.000 1.121 256 A HN 0.357 nan 8.150 nan 0.000 0.542 257 T N -0.090 114.504 114.554 0.066 0.000 2.867 257 T HA 0.010 4.375 4.350 0.024 0.000 0.268 257 T C 1.614 176.386 174.700 0.119 0.000 1.057 257 T CA 1.688 63.846 62.100 0.096 0.000 1.136 257 T CB 0.023 68.965 68.868 0.123 0.000 0.874 257 T HN 0.598 nan 8.240 nan 0.000 0.466 258 A N 0.854 123.743 122.820 0.115 0.000 2.535 258 A HA 0.468 4.802 4.320 0.024 0.000 0.273 258 A C 0.720 178.354 177.584 0.083 0.000 1.267 258 A CA 0.255 52.383 52.037 0.152 0.000 0.940 258 A CB -0.466 18.661 19.000 0.212 0.000 1.101 258 A HN 0.475 nan 8.150 nan 0.000 0.521 259 D N 0.389 120.820 120.400 0.051 0.000 2.389 259 D HA 0.417 5.072 4.640 0.024 0.000 0.278 259 D C 1.278 177.587 176.300 0.014 0.000 1.398 259 D CA 0.689 54.706 54.000 0.028 0.000 1.090 259 D CB -1.184 nan 40.800 nan 0.000 1.108 259 D HN 1.655 nan 8.370 nan 0.000 0.532 260 G N 1.024 109.834 108.800 0.016 0.000 2.132 260 G HA2 -0.192 3.783 3.960 0.024 0.000 0.234 260 G HA3 -0.192 3.783 3.960 0.024 0.000 0.234 260 G C 0.288 175.180 174.900 -0.013 0.000 0.989 260 G CA 0.097 45.198 45.100 0.002 0.000 0.676 260 G HN 0.890 nan 8.290 nan 0.000 0.522 261 I N 1.161 121.726 120.570 -0.008 0.000 2.312 261 I HA 0.401 4.586 4.170 0.024 0.000 0.290 261 I C 0.914 177.004 176.117 -0.044 0.000 1.008 261 I CA -0.805 60.456 61.300 -0.066 0.000 1.226 261 I CB 0.961 38.880 38.000 -0.135 0.000 1.371 261 I HN 0.030 nan 8.210 nan 0.000 0.468 262 R N 3.935 124.406 120.500 -0.048 0.000 2.500 262 R HA 0.182 4.537 4.340 0.024 0.000 0.275 262 R C 0.311 176.594 176.300 -0.028 0.000 1.051 262 R CA -0.798 55.305 56.100 0.005 0.000 1.088 262 R CB 0.994 31.311 30.300 0.028 0.000 1.063 262 R HN 0.493 nan 8.270 nan 0.000 0.511 263 D N 1.742 122.175 120.400 0.054 0.000 2.149 263 D HA -0.213 4.442 4.640 0.024 0.000 0.198 263 D C 1.546 177.851 176.300 0.009 0.000 0.990 263 D CA 1.669 55.683 54.000 0.024 0.000 0.839 263 D CB 0.028 40.901 40.800 0.122 0.000 0.948 263 D HN 0.708 nan 8.370 nan 0.000 0.460 264 E N 0.505 120.771 120.200 0.110 0.000 2.409 264 E HA -0.143 4.222 4.350 0.024 0.000 0.198 264 E C 0.569 177.329 176.600 0.267 0.000 1.024 264 E CA 0.864 57.373 56.400 0.181 0.000 0.861 264 E CB -0.025 29.774 29.700 0.165 0.000 0.788 264 E HN 0.073 nan 8.360 nan 0.000 0.521 265 D N 0.501 120.988 120.400 0.145 0.000 2.328 265 D HA 0.103 4.758 4.640 0.024 0.000 0.226 265 D C -0.148 176.218 176.300 0.111 0.000 1.066 265 D CA 0.274 54.348 54.000 0.123 0.000 0.861 265 D CB 0.399 41.158 40.800 -0.068 0.000 0.912 265 D HN 0.206 nan 8.370 nan 0.000 0.521 266 I N 1.106 121.738 120.570 0.103 0.000 2.468 266 I HA 0.440 4.625 4.170 0.024 0.000 0.285 266 I C 0.086 176.262 176.117 0.098 0.000 1.039 266 I CA -1.096 60.256 61.300 0.087 0.000 1.074 266 I CB 1.207 39.081 38.000 -0.211 0.000 1.228 266 I HN -0.254 nan 8.210 nan 0.000 0.436 270 G N 0.787 109.371 108.800 -0.359 0.000 2.452 270 G HA2 0.887 4.862 3.960 0.024 0.000 0.324 270 G HA3 0.887 4.862 3.960 0.024 0.000 0.324 270 G C -1.480 173.187 174.900 -0.388 0.000 1.214 270 G CA -0.448 44.069 45.100 -0.973 0.000 0.947 270 G HN 1.014 nan 8.290 nan 0.000 0.478 271 A N 0.768 123.413 122.820 -0.290 0.000 2.577 271 A HA 0.730 5.064 4.320 0.024 0.000 0.297 271 A C -1.469 176.184 177.584 0.114 0.000 1.060 271 A CA -0.448 51.516 52.037 -0.121 0.000 0.697 271 A CB 1.755 20.368 19.000 -0.645 0.000 1.281 271 A HN 1.287 nan 8.150 nan 0.000 0.402 272 V N 0.635 120.677 119.914 0.215 0.000 2.656 272 V HA 0.892 5.027 4.120 0.024 0.000 0.307 272 V C 0.143 176.461 176.094 0.373 0.000 1.051 272 V CA 0.107 62.626 62.300 0.364 0.000 0.893 272 V CB 1.670 33.730 31.823 0.395 0.000 0.999 272 V HN 1.854 nan 8.190 nan 0.000 0.426 273 A N 4.250 127.364 122.820 0.489 0.000 2.549 273 A HA 0.852 5.187 4.320 0.024 0.000 0.297 273 A C -0.814 176.892 177.584 0.203 0.000 1.061 273 A CA -0.797 51.461 52.037 0.368 0.000 0.690 273 A CB 1.776 21.049 19.000 0.454 0.000 1.287 273 A HN 0.804 nan 8.150 nan 0.000 0.402 274 R N 1.137 121.567 120.500 -0.117 0.000 2.404 274 R HA 0.428 4.783 4.340 0.024 0.000 0.291 274 R C -0.255 175.891 176.300 -0.256 0.000 1.025 274 R CA -0.501 55.220 56.100 -0.632 0.000 0.991 274 R CB 0.901 30.750 30.300 -0.752 0.000 1.053 274 R HN 0.712 nan 8.270 nan 0.000 0.479 275 K N 5.717 125.966 120.400 -0.251 0.000 2.276 275 K HA 0.270 4.605 4.320 0.024 0.000 0.285 275 K C -2.281 174.259 176.600 -0.100 0.000 1.062 275 K CA -1.858 54.365 56.287 -0.107 0.000 0.918 275 K CB 1.087 33.547 32.500 -0.067 0.000 1.055 275 K HN 0.348 nan 8.250 nan 0.000 0.477 276 P HA 0.000 nan 4.420 nan 0.000 0.216 276 P CA 0.000 63.074 63.100 -0.043 0.000 0.800 276 P CB 0.000 31.688 31.700 -0.020 0.000 0.726