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 1ou6_1_C DATA FIRST_RESID 1 DATA SEQUENCE STPSIVIASA ARTAVGSFNG AFANTPAHEL GATVISAVLE RAGVAAGEVN DATA SEQUENCE EVILGQVLPA GEGQNPARQA AMKAGVPQEA TAWGMNQLXG SGLRAVALGM DATA SEQUENCE QQIATGDASI IVAGGMESMS MAPHCAHLRG GVKMGDFKMI DTMIKDGLTD DATA SEQUENCE AFYGYHMGTT AENVAKQWQL SRDEQDAFAV ASQNKAEAAQ KDGRFKDEIV DATA SEQUENCE PFIVKGRKGD ITVDADEYIR HGATLDSMAK LRPAFDKEGT VTAGNASGLN DATA SEQUENCE DGAAAALLMS EAEASRRGIQ PLGRIVSWAT VGVDPKVMGT GPIPASRKAL DATA SEQUENCE ERAGWKIGDL DLVEANEAFA AQACAVNKDL GWDPSIVNVN GGAIAIGHPI DATA SEQUENCE GASGARILNT LLFEMKRRGA RKGLATLCIG GGMGVAMCIE SL 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.608 174.600 0.013 0.000 1.055 1 S CA 0.000 58.208 58.200 0.013 0.000 1.107 1 S CB 0.000 63.208 63.200 0.013 0.000 0.593 2 T N 2.600 117.162 114.554 0.015 0.000 2.902 2 T HA 0.589 4.940 4.350 0.001 0.000 0.283 2 T C -1.579 173.132 174.700 0.018 0.000 1.009 2 T CA -1.236 60.874 62.100 0.016 0.000 1.051 2 T CB 0.875 69.752 68.868 0.015 0.000 0.999 2 T HN 0.553 nan 8.240 nan 0.000 0.474 3 P HA -0.069 nan 4.420 nan 0.000 0.214 3 P C 0.169 177.480 177.300 0.019 0.000 1.169 3 P CA 0.964 64.076 63.100 0.019 0.000 0.908 3 P CB -0.063 31.651 31.700 0.023 0.000 0.791 4 S N -1.677 114.035 115.700 0.021 0.000 3.393 4 S HA -0.127 4.343 4.470 0.001 0.000 0.655 4 S C -0.521 174.089 174.600 0.017 0.000 0.634 4 S CA -0.311 57.901 58.200 0.020 0.000 1.428 4 S CB -1.560 61.652 63.200 0.021 0.000 0.998 4 S HN 0.076 nan 8.310 nan 0.000 0.915 5 I N 5.617 126.197 120.570 0.016 0.000 2.530 5 I HA 0.716 4.886 4.170 0.001 0.000 0.297 5 I C 0.253 176.374 176.117 0.007 0.000 1.011 5 I CA -0.621 60.685 61.300 0.009 0.000 1.107 5 I CB 2.154 40.157 38.000 0.005 0.000 1.285 5 I HN 0.530 nan 8.210 nan 0.000 0.436 6 V N 3.385 123.299 119.914 0.000 0.000 2.815 6 V HA 0.616 4.737 4.120 0.001 0.000 0.314 6 V C -0.215 175.869 176.094 -0.016 0.000 1.064 6 V CA -0.836 61.461 62.300 -0.004 0.000 0.952 6 V CB 1.871 33.692 31.823 -0.003 0.000 1.020 6 V HN 0.518 nan 8.190 nan 0.000 0.439 7 I N 3.435 123.990 120.570 -0.025 0.000 2.278 7 I HA 0.336 4.506 4.170 0.001 0.000 0.296 7 I C 1.635 177.726 176.117 -0.044 0.000 1.121 7 I CA 0.112 61.388 61.300 -0.039 0.000 1.267 7 I CB 1.172 39.140 38.000 -0.054 0.000 1.447 7 I HN 0.923 nan 8.210 nan 0.000 0.509 8 A N 4.831 127.634 122.820 -0.030 0.000 1.972 8 A HA -0.044 4.277 4.320 0.001 0.000 0.219 8 A C 1.024 178.593 177.584 -0.027 0.000 1.169 8 A CA 1.516 53.539 52.037 -0.023 0.000 0.635 8 A CB -0.142 18.852 19.000 -0.011 0.000 0.810 8 A HN 0.717 nan 8.150 nan 0.000 0.446 9 S N -3.849 111.834 115.700 -0.027 0.000 2.595 9 S HA 0.700 5.170 4.470 0.001 0.000 0.270 9 S C -0.840 173.768 174.600 0.013 0.000 1.145 9 S CA -0.072 58.126 58.200 -0.003 0.000 0.825 9 S CB 0.869 64.088 63.200 0.033 0.000 1.107 9 S HN 1.803 nan 8.310 nan 0.000 0.461 10 A N 0.350 123.226 122.820 0.093 0.000 2.612 10 A HA 1.047 5.367 4.320 0.001 0.000 0.293 10 A C -0.694 177.068 177.584 0.297 0.000 1.075 10 A CA -0.420 51.706 52.037 0.149 0.000 0.680 10 A CB 0.849 19.903 19.000 0.090 0.000 1.279 10 A HN 2.491 nan 8.150 nan 0.000 0.411 11 A N 0.613 123.551 122.820 0.197 0.000 2.605 11 A HA 0.880 5.200 4.320 0.001 0.000 0.294 11 A C -0.760 176.866 177.584 0.070 0.000 1.062 11 A CA -0.173 51.944 52.037 0.134 0.000 0.682 11 A CB 1.235 20.283 19.000 0.080 0.000 1.278 11 A HN 2.028 nan 8.150 nan 0.000 0.410 12 R N -0.360 120.158 120.500 0.029 0.000 2.740 12 R HA 0.799 5.140 4.340 0.001 0.000 0.273 12 R C -0.114 176.181 176.300 -0.009 0.000 0.998 12 R CA -0.018 56.082 56.100 0.001 0.000 0.900 12 R CB 1.181 31.479 30.300 -0.003 0.000 1.223 12 R HN 0.975 nan 8.270 nan 0.000 0.466 13 T N -0.492 114.049 114.554 -0.022 0.000 2.813 13 T HA 0.482 4.833 4.350 0.001 0.000 0.297 13 T C 0.846 175.571 174.700 0.041 0.000 1.036 13 T CA -0.279 61.828 62.100 0.012 0.000 1.044 13 T CB 0.790 69.600 68.868 -0.096 0.000 0.993 13 T HN 0.803 nan 8.240 nan 0.000 0.535 14 A N 1.214 124.102 122.820 0.113 0.000 2.547 14 A HA 0.438 4.759 4.320 0.001 0.000 0.233 14 A C 0.389 178.061 177.584 0.147 0.000 1.067 14 A CA -0.600 51.487 52.037 0.085 0.000 0.763 14 A CB -0.300 18.760 19.000 0.100 0.000 1.007 14 A HN 0.908 nan 8.150 nan 0.000 0.506 15 V N 2.339 122.272 119.914 0.031 0.000 2.385 15 V HA 0.476 4.597 4.120 0.001 0.000 0.269 15 V C 1.132 177.214 176.094 -0.020 0.000 1.043 15 V CA 0.093 62.420 62.300 0.045 0.000 0.906 15 V CB 0.587 32.399 31.823 -0.020 0.000 0.995 15 V HN 1.095 nan 8.190 nan 0.000 0.467 16 G N 3.533 112.299 108.800 -0.056 0.000 2.420 16 G HA2 0.435 4.396 3.960 0.001 0.000 0.284 16 G HA3 0.435 4.396 3.960 0.001 0.000 0.284 16 G C 0.073 174.897 174.900 -0.126 0.000 1.177 16 G CA -0.308 44.610 45.100 -0.303 0.000 0.841 16 G HN 0.658 nan 8.290 nan 0.000 0.527 17 S N 0.076 115.712 115.700 -0.107 0.000 2.603 17 S HA 0.242 4.713 4.470 0.001 0.000 0.268 17 S C -0.099 174.507 174.600 0.010 0.000 1.317 17 S CA -0.420 57.759 58.200 -0.035 0.000 1.012 17 S CB 0.850 64.093 63.200 0.071 0.000 0.926 17 S HN 0.447 nan 8.310 nan 0.000 0.539 18 F N 3.363 123.238 119.950 -0.125 0.000 2.590 18 F HA 0.042 4.569 4.527 0.001 0.000 0.389 18 F C 0.932 176.703 175.800 -0.049 0.000 1.049 18 F CA -0.386 57.565 58.000 -0.082 0.000 1.199 18 F CB -0.733 38.220 39.000 -0.077 0.000 1.058 18 F HN 0.614 nan 8.300 nan 0.000 0.556 19 N N 2.892 121.301 118.700 -0.485 0.000 2.721 19 N HA -0.208 4.533 4.740 0.001 0.000 0.249 19 N C 0.383 175.781 175.510 -0.186 0.000 1.072 19 N CA 0.925 53.744 53.050 -0.385 0.000 0.710 19 N CB -1.403 36.777 38.487 -0.512 0.000 0.993 19 N HN 0.820 nan 8.380 nan 0.000 0.547 20 G N -0.249 108.469 108.800 -0.137 0.000 3.365 20 G HA2 0.570 4.531 3.960 0.001 0.000 0.185 20 G HA3 0.570 4.531 3.960 0.001 0.000 0.185 20 G C 1.121 175.929 174.900 -0.153 0.000 1.565 20 G CA 0.437 45.462 45.100 -0.126 0.000 0.984 20 G HN 0.304 nan 8.290 nan 0.000 0.604 21 A N -0.564 122.095 122.820 -0.268 0.000 1.940 21 A HA 0.120 4.441 4.320 0.001 0.000 0.219 21 A C 1.577 179.050 177.584 -0.185 0.000 1.176 21 A CA 1.385 53.225 52.037 -0.328 0.000 0.631 21 A CB -0.478 18.153 19.000 -0.614 0.000 0.814 21 A HN 0.342 nan 8.150 nan 0.000 0.446 22 F N -0.485 119.434 119.950 -0.051 0.000 2.730 22 F HA 0.490 5.017 4.527 0.001 0.000 0.295 22 F C 1.995 177.742 175.800 -0.087 0.000 1.143 22 F CA -0.831 57.118 58.000 -0.084 0.000 1.367 22 F CB -1.079 37.825 39.000 -0.160 0.000 0.970 22 F HN 0.228 nan 8.300 nan 0.000 0.514 23 A N 0.529 123.370 122.820 0.035 0.000 1.958 23 A HA -0.219 4.102 4.320 0.001 0.000 0.221 23 A C 1.857 179.424 177.584 -0.029 0.000 1.178 23 A CA 1.928 53.938 52.037 -0.045 0.000 0.642 23 A CB -0.371 18.574 19.000 -0.091 0.000 0.816 23 A HN 0.379 nan 8.150 nan 0.000 0.453 24 N N -0.725 117.982 118.700 0.011 0.000 2.291 24 N HA 0.081 4.822 4.740 0.001 0.000 0.244 24 N C -0.912 174.605 175.510 0.012 0.000 1.216 24 N CA 0.135 53.186 53.050 0.002 0.000 0.879 24 N CB 0.834 39.323 38.487 0.003 0.000 1.167 24 N HN 0.203 nan 8.380 nan 0.000 0.515 25 T N 2.709 117.270 114.554 0.012 0.000 2.753 25 T HA 0.322 4.673 4.350 0.001 0.000 0.297 25 T C -2.526 172.086 174.700 -0.147 0.000 0.981 25 T CA -1.294 60.777 62.100 -0.049 0.000 0.956 25 T CB 1.875 70.690 68.868 -0.089 0.000 0.936 25 T HN -0.053 nan 8.240 nan 0.000 0.463 26 P HA 0.110 nan 4.420 nan 0.000 0.264 26 P C 0.722 177.822 177.300 -0.333 0.000 1.183 26 P CA -0.099 62.857 63.100 -0.240 0.000 0.763 26 P CB 0.483 31.977 31.700 -0.343 0.000 0.807 27 A N 4.031 126.731 122.820 -0.199 0.000 1.927 27 A HA -0.269 4.052 4.320 0.001 0.000 0.220 27 A C 1.918 179.392 177.584 -0.183 0.000 1.185 27 A CA 2.060 53.993 52.037 -0.172 0.000 0.639 27 A CB -1.645 17.320 19.000 -0.059 0.000 0.820 27 A HN 0.810 nan 8.150 nan 0.000 0.451 28 H N -1.487 117.540 119.070 -0.071 0.000 2.495 28 H HA 0.056 4.613 4.556 0.001 0.000 0.287 28 H C 1.579 176.882 175.328 -0.041 0.000 1.033 28 H CA 1.159 57.176 56.048 -0.051 0.000 1.307 28 H CB -0.323 29.424 29.762 -0.025 0.000 1.401 28 H HN 0.646 nan 8.280 nan 0.000 0.555 29 E N 1.239 121.186 120.200 -0.422 0.000 2.047 29 E HA -0.072 4.279 4.350 0.001 0.000 0.191 29 E C 2.618 179.184 176.600 -0.056 0.000 0.987 29 E CA 0.982 57.302 56.400 -0.134 0.000 0.799 29 E CB 0.092 29.726 29.700 -0.110 0.000 0.752 29 E HN 0.402 nan 8.360 nan 0.000 0.449 30 L N 0.448 121.423 121.223 -0.414 0.000 2.043 30 L HA -0.166 4.175 4.340 0.001 0.000 0.212 30 L C 2.625 179.365 176.870 -0.217 0.000 1.075 30 L CA 1.357 55.859 54.840 -0.564 0.000 0.752 30 L CB -0.933 40.683 42.059 -0.738 0.000 0.891 30 L HN 0.256 nan 8.230 nan 0.000 0.432 31 G N -0.377 108.338 108.800 -0.141 0.000 2.418 31 G HA2 -0.224 3.737 3.960 0.001 0.000 0.217 31 G HA3 -0.224 3.737 3.960 0.001 0.000 0.217 31 G C 1.793 176.687 174.900 -0.010 0.000 1.158 31 G CA 0.876 45.940 45.100 -0.061 0.000 0.771 31 G HN 0.475 nan 8.290 nan 0.000 0.545 32 A N 0.414 123.253 122.820 0.032 0.000 1.858 32 A HA -0.052 4.269 4.320 0.001 0.000 0.216 32 A C 2.524 180.138 177.584 0.051 0.000 1.190 32 A CA 2.559 54.628 52.037 0.054 0.000 0.617 32 A CB -1.200 17.853 19.000 0.088 0.000 0.827 32 A HN 0.286 nan 8.150 nan 0.000 0.443 33 T N 0.151 114.759 114.554 0.089 0.000 2.653 33 T HA -0.208 4.143 4.350 0.001 0.000 0.268 33 T C 1.949 176.680 174.700 0.052 0.000 1.035 33 T CA 2.475 64.633 62.100 0.095 0.000 1.154 33 T CB -0.881 68.130 68.868 0.239 0.000 0.862 33 T HN 0.736 nan 8.240 nan 0.000 0.441 34 V N -0.279 119.652 119.914 0.027 0.000 2.667 34 V HA 0.011 4.132 4.120 0.001 0.000 0.252 34 V C 2.154 178.254 176.094 0.010 0.000 1.065 34 V CA 1.169 63.476 62.300 0.012 0.000 1.083 34 V CB -0.986 30.830 31.823 -0.012 0.000 0.692 34 V HN 0.488 nan 8.190 nan 0.000 0.468 35 I N 1.091 121.664 120.570 0.005 0.000 2.233 35 I HA -0.148 4.023 4.170 0.001 0.000 0.243 35 I C 2.777 178.900 176.117 0.009 0.000 1.093 35 I CA 1.750 63.050 61.300 0.001 0.000 1.380 35 I CB -0.483 37.515 38.000 -0.004 0.000 1.067 35 I HN 0.251 nan 8.210 nan 0.000 0.413 36 S N 0.778 116.487 115.700 0.015 0.000 2.399 36 S HA -0.142 4.329 4.470 0.001 0.000 0.231 36 S C 2.220 176.830 174.600 0.018 0.000 1.022 36 S CA 1.258 59.467 58.200 0.014 0.000 0.983 36 S CB -0.322 62.886 63.200 0.014 0.000 0.803 36 S HN 0.534 nan 8.310 nan 0.000 0.480 37 A N 1.469 124.303 122.820 0.023 0.000 1.873 37 A HA -0.046 4.274 4.320 0.001 0.000 0.215 37 A C 2.454 180.061 177.584 0.039 0.000 1.186 37 A CA 1.658 53.713 52.037 0.030 0.000 0.616 37 A CB -1.012 18.009 19.000 0.034 0.000 0.823 37 A HN 0.537 nan 8.150 nan 0.000 0.442 38 V N -1.749 118.187 119.914 0.036 0.000 2.515 38 V HA -0.156 3.965 4.120 0.001 0.000 0.250 38 V C 2.255 178.365 176.094 0.028 0.000 1.058 38 V CA 1.817 64.141 62.300 0.040 0.000 1.064 38 V CB -0.979 30.860 31.823 0.027 0.000 0.675 38 V HN 0.429 nan 8.190 nan 0.000 0.461 39 L N 0.031 121.266 121.223 0.019 0.000 1.994 39 L HA -0.147 4.193 4.340 0.001 0.000 0.208 39 L C 2.940 179.821 176.870 0.018 0.000 1.071 39 L CA 2.421 57.270 54.840 0.014 0.000 0.745 39 L CB -0.714 41.351 42.059 0.010 0.000 0.892 39 L HN 0.370 nan 8.230 nan 0.000 0.431 40 E N 0.092 120.304 120.200 0.020 0.000 2.051 40 E HA -0.235 4.116 4.350 0.001 0.000 0.192 40 E C 2.374 178.991 176.600 0.028 0.000 0.991 40 E CA 1.196 57.608 56.400 0.021 0.000 0.799 40 E CB 0.081 29.793 29.700 0.019 0.000 0.748 40 E HN 0.347 nan 8.360 nan 0.000 0.449 41 R N -0.364 120.160 120.500 0.040 0.000 2.120 41 R HA -0.078 4.263 4.340 0.001 0.000 0.234 41 R C 2.054 178.382 176.300 0.047 0.000 1.123 41 R CA 1.107 57.241 56.100 0.056 0.000 0.975 41 R CB -0.052 30.302 30.300 0.090 0.000 0.866 41 R HN 0.081 nan 8.270 nan 0.000 0.446 42 A N -0.342 122.499 122.820 0.034 0.000 2.147 42 A HA 0.242 4.563 4.320 0.001 0.000 0.211 42 A C 1.377 178.972 177.584 0.018 0.000 1.160 42 A CA 0.660 52.711 52.037 0.023 0.000 0.781 42 A CB 0.120 19.130 19.000 0.016 0.000 0.842 42 A HN 0.385 nan 8.150 nan 0.000 0.475 43 G N -0.948 107.862 108.800 0.018 0.000 2.182 43 G HA2 -0.141 3.820 3.960 0.001 0.000 0.248 43 G HA3 -0.141 3.820 3.960 0.001 0.000 0.248 43 G C -0.063 174.843 174.900 0.011 0.000 1.042 43 G CA 0.214 45.322 45.100 0.014 0.000 0.775 43 G HN 0.853 nan 8.290 nan 0.000 0.501 44 V N 0.394 120.314 119.914 0.010 0.000 2.459 44 V HA 0.798 4.919 4.120 0.001 0.000 0.295 44 V C 0.857 176.955 176.094 0.007 0.000 1.029 44 V CA -0.423 61.881 62.300 0.007 0.000 0.874 44 V CB 1.639 33.465 31.823 0.006 0.000 0.985 44 V HN 1.130 nan 8.190 nan 0.000 0.438 45 A N 3.588 126.412 122.820 0.006 0.000 2.425 45 A HA 0.620 4.941 4.320 0.001 0.000 0.249 45 A C 1.542 179.129 177.584 0.004 0.000 1.084 45 A CA 0.347 52.387 52.037 0.005 0.000 0.781 45 A CB 0.573 19.576 19.000 0.005 0.000 1.019 45 A HN 1.386 nan 8.150 nan 0.000 0.490 46 A N 2.516 125.338 122.820 0.004 0.000 1.986 46 A HA -0.031 4.290 4.320 0.001 0.000 0.220 46 A C 2.146 179.732 177.584 0.003 0.000 1.171 46 A CA 2.285 54.324 52.037 0.003 0.000 0.640 46 A CB -1.137 17.865 19.000 0.004 0.000 0.811 46 A HN 1.538 nan 8.150 nan 0.000 0.451 47 G N -0.850 107.953 108.800 0.004 0.000 2.535 47 G HA2 -0.124 3.837 3.960 0.001 0.000 0.218 47 G HA3 -0.124 3.837 3.960 0.001 0.000 0.218 47 G C 1.161 176.064 174.900 0.005 0.000 1.122 47 G CA 0.850 45.953 45.100 0.005 0.000 0.769 47 G HN 0.714 nan 8.290 nan 0.000 0.549 48 E N -0.540 119.663 120.200 0.005 0.000 2.479 48 E HA 0.144 4.495 4.350 0.001 0.000 0.193 48 E C -0.026 176.577 176.600 0.004 0.000 1.049 48 E CA -0.391 56.012 56.400 0.005 0.000 0.870 48 E CB 0.838 30.541 29.700 0.005 0.000 0.944 48 E HN 0.171 nan 8.360 nan 0.000 0.492 49 V N 2.164 122.080 119.914 0.003 0.000 2.488 49 V HA 0.012 4.132 4.120 0.001 0.000 0.277 49 V C 0.773 176.871 176.094 0.007 0.000 1.046 49 V CA 0.121 62.422 62.300 0.001 0.000 0.986 49 V CB 1.130 32.950 31.823 -0.004 0.000 0.989 49 V HN 0.217 nan 8.190 nan 0.000 0.475 50 N N 3.246 121.952 118.700 0.010 0.000 2.250 50 N HA 0.031 4.772 4.740 0.001 0.000 0.181 50 N C 0.404 175.933 175.510 0.032 0.000 1.017 50 N CA 0.503 53.566 53.050 0.022 0.000 0.866 50 N CB 0.449 38.951 38.487 0.026 0.000 0.985 50 N HN 0.783 nan 8.380 nan 0.000 0.429 51 E N -0.019 120.194 120.200 0.021 0.000 2.354 51 E HA 0.287 4.638 4.350 0.001 0.000 0.283 51 E C -1.895 174.678 176.600 -0.045 0.000 0.938 51 E CA -0.430 55.985 56.400 0.025 0.000 0.777 51 E CB 1.965 31.721 29.700 0.093 0.000 1.222 51 E HN -0.256 nan 8.360 nan 0.000 0.423 52 V N 5.404 125.270 119.914 -0.080 0.000 2.398 52 V HA 0.469 4.590 4.120 0.001 0.000 0.286 52 V C -0.194 175.699 176.094 -0.336 0.000 1.026 52 V CA -0.400 61.809 62.300 -0.152 0.000 0.868 52 V CB 1.183 32.949 31.823 -0.094 0.000 0.982 52 V HN 0.536 nan 8.190 nan 0.000 0.443 53 I N 6.606 126.908 120.570 -0.447 0.000 2.410 53 I HA 0.488 4.659 4.170 0.001 0.000 0.286 53 I C -0.867 174.962 176.117 -0.480 0.000 1.009 53 I CA -0.330 60.499 61.300 -0.784 0.000 1.111 53 I CB 1.566 38.977 38.000 -0.983 0.000 1.262 53 I HN 0.331 nan 8.210 nan 0.000 0.443 54 L N 5.618 126.609 121.223 -0.387 0.000 2.372 54 L HA 0.543 4.883 4.340 0.001 0.000 0.274 54 L C 0.666 177.448 176.870 -0.148 0.000 0.988 54 L CA -0.630 54.083 54.840 -0.212 0.000 0.833 54 L CB 1.945 43.924 42.059 -0.132 0.000 1.236 54 L HN 0.671 nan 8.230 nan 0.000 0.410 55 G N 2.259 110.988 108.800 -0.118 0.000 2.414 55 G HA2 0.308 4.269 3.960 0.001 0.000 0.236 55 G HA3 0.308 4.269 3.960 0.001 0.000 0.236 55 G C -0.661 174.224 174.900 -0.025 0.000 1.293 55 G CA 0.159 45.226 45.100 -0.054 0.000 0.869 55 G HN 0.657 nan 8.290 nan 0.000 0.556 56 Q N 1.130 120.934 119.800 0.007 0.000 2.430 56 Q HA 0.243 4.584 4.340 0.001 0.000 0.253 56 Q C -0.674 175.349 176.000 0.038 0.000 0.945 56 Q CA -0.728 55.086 55.803 0.019 0.000 0.964 56 Q CB 1.634 30.382 28.738 0.016 0.000 1.460 56 Q HN 0.310 nan 8.270 nan 0.000 0.428 57 V N 3.921 123.860 119.914 0.042 0.000 3.263 57 V HA 0.175 4.295 4.120 0.001 0.000 0.248 57 V C 0.485 176.608 176.094 0.049 0.000 1.145 57 V CA 0.554 62.883 62.300 0.050 0.000 1.107 57 V CB 0.476 32.332 31.823 0.056 0.000 0.797 57 V HN 0.683 nan 8.190 nan 0.000 0.467 58 L N 2.417 123.668 121.223 0.048 0.000 2.594 58 L HA 0.336 4.677 4.340 0.001 0.000 0.245 58 L C -1.935 174.965 176.870 0.051 0.000 1.460 58 L CA -0.604 54.268 54.840 0.053 0.000 0.865 58 L CB 1.411 43.506 42.059 0.060 0.000 1.131 58 L HN 0.147 nan 8.230 nan 0.000 0.506 59 P HA 0.095 nan 4.420 nan 0.000 0.262 59 P C 0.597 177.928 177.300 0.053 0.000 1.304 59 P CA 0.030 63.161 63.100 0.051 0.000 0.859 59 P CB 0.505 32.235 31.700 0.050 0.000 1.310 60 A N 0.744 123.596 122.820 0.054 0.000 2.545 60 A HA 0.405 4.726 4.320 0.001 0.000 0.253 60 A C 1.581 179.196 177.584 0.052 0.000 1.074 60 A CA 0.889 52.959 52.037 0.054 0.000 0.760 60 A CB -1.188 17.848 19.000 0.061 0.000 1.005 60 A HN 0.389 nan 8.150 nan 0.000 0.506 61 G N 1.653 110.482 108.800 0.048 0.000 2.217 61 G HA2 -0.285 3.675 3.960 0.001 0.000 0.246 61 G HA3 -0.285 3.675 3.960 0.001 0.000 0.246 61 G C 0.785 175.714 174.900 0.049 0.000 0.990 61 G CA 0.760 45.887 45.100 0.045 0.000 0.627 61 G HN 0.872 nan 8.290 nan 0.000 0.522 62 E N 0.570 120.804 120.200 0.058 0.000 2.427 62 E HA 0.390 4.741 4.350 0.001 0.000 0.196 62 E C 1.552 178.188 176.600 0.059 0.000 1.028 62 E CA 1.210 57.659 56.400 0.083 0.000 0.864 62 E CB -0.192 29.575 29.700 0.111 0.000 0.813 62 E HN 1.750 nan 8.360 nan 0.000 0.514 63 G N 0.595 109.416 108.800 0.035 0.000 2.660 63 G HA2 -0.279 3.682 3.960 0.001 0.000 0.247 63 G HA3 -0.279 3.682 3.960 0.001 0.000 0.247 63 G C -0.839 174.063 174.900 0.003 0.000 1.328 63 G CA -0.451 44.657 45.100 0.013 0.000 0.884 63 G HN 0.255 nan 8.290 nan 0.000 0.531 64 Q N 0.432 120.227 119.800 -0.009 0.000 2.271 64 Q HA 0.263 4.604 4.340 0.001 0.000 0.273 64 Q C 0.911 176.905 176.000 -0.011 0.000 1.051 64 Q CA 0.549 56.349 55.803 -0.004 0.000 0.901 64 Q CB 0.228 28.961 28.738 -0.007 0.000 1.174 64 Q HN 0.873 nan 8.270 nan 0.000 0.385 65 N N 3.832 122.539 118.700 0.012 0.000 2.637 65 N HA -0.169 4.571 4.740 0.001 0.000 0.287 65 N C -2.382 173.127 175.510 -0.003 0.000 1.130 65 N CA -0.047 53.017 53.050 0.023 0.000 0.764 65 N CB -0.048 38.462 38.487 0.038 0.000 0.935 65 N HN 0.406 nan 8.380 nan 0.000 0.558 66 P HA -0.097 nan 4.420 nan 0.000 0.219 66 P C 1.076 178.379 177.300 0.006 0.000 1.146 66 P CA 1.837 64.936 63.100 -0.001 0.000 0.808 66 P CB 0.030 31.770 31.700 0.065 0.000 0.779 67 A N -0.061 122.763 122.820 0.007 0.000 1.902 67 A HA -0.211 4.110 4.320 0.001 0.000 0.217 67 A C 2.389 179.964 177.584 -0.015 0.000 1.181 67 A CA 1.796 53.825 52.037 -0.014 0.000 0.623 67 A CB -1.007 17.969 19.000 -0.040 0.000 0.818 67 A HN 0.016 nan 8.150 nan 0.000 0.443 68 R N 0.186 120.683 120.500 -0.005 0.000 2.115 68 R HA -0.088 4.253 4.340 0.001 0.000 0.230 68 R C 2.137 178.411 176.300 -0.044 0.000 1.111 68 R CA 1.960 58.054 56.100 -0.010 0.000 0.976 68 R CB -0.573 29.730 30.300 0.005 0.000 0.870 68 R HN 0.705 nan 8.270 nan 0.000 0.445 69 Q N -0.666 119.076 119.800 -0.097 0.000 2.119 69 Q HA -0.025 4.316 4.340 0.001 0.000 0.201 69 Q C 2.109 178.057 176.000 -0.086 0.000 0.972 69 Q CA 1.489 57.175 55.803 -0.195 0.000 0.847 69 Q CB -0.190 28.230 28.738 -0.530 0.000 0.903 69 Q HN 0.435 nan 8.270 nan 0.000 0.433 70 A N 1.386 124.210 122.820 0.006 0.000 1.902 70 A HA -0.103 4.218 4.320 0.001 0.000 0.217 70 A C 2.333 179.933 177.584 0.028 0.000 1.181 70 A CA 1.561 53.641 52.037 0.070 0.000 0.623 70 A CB -0.742 18.293 19.000 0.058 0.000 0.818 70 A HN 0.386 nan 8.150 nan 0.000 0.443 71 A N -0.885 121.936 122.820 0.001 0.000 1.902 71 A HA -0.090 4.231 4.320 0.001 0.000 0.217 71 A C 2.219 179.804 177.584 0.001 0.000 1.181 71 A CA 1.865 53.900 52.037 -0.004 0.000 0.623 71 A CB -0.434 18.559 19.000 -0.011 0.000 0.818 71 A HN 0.444 nan 8.150 nan 0.000 0.443 72 M N -0.820 118.778 119.600 -0.004 0.000 2.156 72 M HA -0.055 4.426 4.480 0.001 0.000 0.264 72 M C 2.167 178.472 176.300 0.007 0.000 1.067 72 M CA 1.737 57.035 55.300 -0.003 0.000 1.131 72 M CB -0.931 31.661 32.600 -0.015 0.000 1.368 72 M HN 0.530 nan 8.290 nan 0.000 0.416 73 K N 0.693 121.105 120.400 0.020 0.000 2.103 73 K HA -0.096 4.224 4.320 0.001 0.000 0.207 73 K C 1.824 178.443 176.600 0.032 0.000 1.048 73 K CA 1.584 57.895 56.287 0.040 0.000 0.930 73 K CB -0.060 32.495 32.500 0.091 0.000 0.716 73 K HN 0.241 nan 8.250 nan 0.000 0.444 74 A N -0.184 122.654 122.820 0.029 0.000 2.121 74 A HA 0.086 4.407 4.320 0.001 0.000 0.218 74 A C 1.499 179.090 177.584 0.011 0.000 1.154 74 A CA 1.290 53.339 52.037 0.020 0.000 0.679 74 A CB -0.546 18.465 19.000 0.017 0.000 0.795 74 A HN 0.623 nan 8.150 nan 0.000 0.458 75 G N -2.175 106.631 108.800 0.009 0.000 2.159 75 G HA2 -0.166 3.795 3.960 0.001 0.000 0.227 75 G HA3 -0.166 3.795 3.960 0.001 0.000 0.227 75 G C 0.132 175.034 174.900 0.004 0.000 0.986 75 G CA -0.052 45.051 45.100 0.006 0.000 0.651 75 G HN 0.785 nan 8.290 nan 0.000 0.523 76 V N 3.253 123.169 119.914 0.004 0.000 2.599 76 V HA 0.322 4.442 4.120 0.001 0.000 0.300 76 V C -0.685 175.411 176.094 0.004 0.000 1.034 76 V CA -0.469 61.832 62.300 0.003 0.000 1.115 76 V CB 0.826 32.649 31.823 0.001 0.000 0.934 76 V HN 0.332 nan 8.190 nan 0.000 0.485 77 P HA 0.088 nan 4.420 nan 0.000 0.274 77 P C 0.595 177.898 177.300 0.006 0.000 1.237 77 P CA -0.435 62.668 63.100 0.005 0.000 0.793 77 P CB 0.562 32.266 31.700 0.005 0.000 0.977 78 Q N 0.709 120.512 119.800 0.005 0.000 2.308 78 Q HA -0.226 4.115 4.340 0.001 0.000 0.209 78 Q C 0.760 176.766 176.000 0.010 0.000 0.985 78 Q CA 1.759 57.566 55.803 0.006 0.000 0.881 78 Q CB -0.480 28.261 28.738 0.004 0.000 0.917 78 Q HN 0.366 nan 8.270 nan 0.000 0.443 79 E N 1.382 121.588 120.200 0.010 0.000 2.208 79 E HA 0.107 4.458 4.350 0.001 0.000 0.193 79 E C 0.612 177.222 176.600 0.017 0.000 0.988 79 E CA 0.814 57.221 56.400 0.012 0.000 0.828 79 E CB -0.061 29.645 29.700 0.010 0.000 0.763 79 E HN 0.541 nan 8.360 nan 0.000 0.478 80 A N 0.498 123.329 122.820 0.018 0.000 2.310 80 A HA 0.417 4.737 4.320 0.001 0.000 0.260 80 A C 0.625 178.231 177.584 0.037 0.000 1.112 80 A CA 0.150 52.202 52.037 0.025 0.000 0.804 80 A CB 0.138 19.149 19.000 0.019 0.000 1.081 80 A HN 0.205 nan 8.150 nan 0.000 0.499 81 T N -2.628 111.961 114.554 0.057 0.000 2.940 81 T HA 0.835 5.185 4.350 0.001 0.000 0.288 81 T C -0.446 174.319 174.700 0.109 0.000 1.045 81 T CA -0.137 62.018 62.100 0.091 0.000 1.018 81 T CB 1.766 70.708 68.868 0.123 0.000 1.151 81 T HN 2.115 nan 8.240 nan 0.000 0.529 82 A N 0.971 123.888 122.820 0.162 0.000 2.594 82 A HA 0.729 5.050 4.320 0.001 0.000 0.296 82 A C -1.802 175.948 177.584 0.276 0.000 1.061 82 A CA -1.115 50.999 52.037 0.128 0.000 0.689 82 A CB 1.275 20.294 19.000 0.032 0.000 1.280 82 A HN 1.120 nan 8.150 nan 0.000 0.406 83 W N 0.912 122.204 121.300 -0.013 0.000 3.137 83 W HA 0.741 5.402 4.660 0.001 0.000 0.324 83 W C -0.267 176.246 176.519 -0.010 0.000 1.253 83 W CA -0.899 56.439 57.345 -0.012 0.000 1.183 83 W CB 0.974 30.426 29.460 -0.012 0.000 1.424 83 W HN 1.267 nan 8.180 nan 0.000 0.566 84 G N 1.230 110.171 108.800 0.235 0.000 2.471 84 G HA2 0.808 4.768 3.960 0.001 0.000 0.332 84 G HA3 0.808 4.768 3.960 0.001 0.000 0.332 84 G C -1.144 173.901 174.900 0.242 0.000 1.176 84 G CA -0.990 44.177 45.100 0.112 0.000 0.949 84 G HN 0.569 nan 8.290 nan 0.000 0.488 85 M N -0.519 119.160 119.600 0.131 0.000 2.622 85 M HA 0.621 5.101 4.480 0.001 0.000 0.276 85 M C -1.411 174.945 176.300 0.093 0.000 1.265 85 M CA -1.270 54.134 55.300 0.174 0.000 0.850 85 M CB 2.184 34.945 32.600 0.269 0.000 1.720 85 M HN 0.314 nan 8.290 nan 0.000 0.465 86 N N 0.902 119.660 118.700 0.098 0.000 2.609 86 N HA 0.298 5.039 4.740 0.001 0.000 0.268 86 N C -1.720 173.840 175.510 0.083 0.000 1.106 86 N CA -0.028 53.069 53.050 0.077 0.000 0.823 86 N CB 1.437 39.966 38.487 0.070 0.000 1.263 86 N HN 0.934 nan 8.380 nan 0.000 0.533 87 Q N 4.911 124.760 119.800 0.081 0.000 2.302 87 Q HA 0.352 4.693 4.340 0.001 0.000 0.332 87 Q C -0.151 175.905 176.000 0.093 0.000 0.913 87 Q CA -0.352 55.506 55.803 0.091 0.000 1.098 87 Q CB -0.068 28.729 28.738 0.098 0.000 1.236 87 Q HN 0.707 nan 8.270 nan 0.000 0.436 91 S N 0.830 116.561 115.700 0.052 0.000 2.370 91 S HA -0.067 4.404 4.470 0.001 0.000 0.226 91 S C 2.466 177.057 174.600 -0.015 0.000 1.033 91 S CA 1.881 60.096 58.200 0.024 0.000 1.011 91 S CB -0.397 62.820 63.200 0.029 0.000 0.852 91 S HN 0.665 nan 8.310 nan 0.000 0.457 92 G N 0.842 109.631 108.800 -0.018 0.000 2.422 92 G HA2 -0.116 3.844 3.960 0.001 0.000 0.218 92 G HA3 -0.116 3.844 3.960 0.001 0.000 0.218 92 G C 1.366 176.237 174.900 -0.049 0.000 1.140 92 G CA 0.650 45.724 45.100 -0.043 0.000 0.775 92 G HN 0.409 nan 8.290 nan 0.000 0.545 93 L N -0.095 121.112 121.223 -0.026 0.000 2.202 93 L HA 0.354 4.695 4.340 0.001 0.000 0.205 93 L C 2.658 179.493 176.870 -0.059 0.000 1.083 93 L CA 1.115 55.942 54.840 -0.023 0.000 0.790 93 L CB -0.323 41.750 42.059 0.023 0.000 0.942 93 L HN 0.124 nan 8.230 nan 0.000 0.452 94 R N 0.363 120.834 120.500 -0.049 0.000 2.091 94 R HA -0.099 4.242 4.340 0.001 0.000 0.238 94 R C 2.157 178.348 176.300 -0.182 0.000 1.136 94 R CA 1.709 57.740 56.100 -0.115 0.000 0.959 94 R CB -0.899 29.380 30.300 -0.034 0.000 0.856 94 R HN 0.434 nan 8.270 nan 0.000 0.437 95 A N -0.359 122.372 122.820 -0.149 0.000 1.940 95 A HA -0.132 4.188 4.320 0.001 0.000 0.219 95 A C 2.296 179.749 177.584 -0.218 0.000 1.176 95 A CA 1.857 53.767 52.037 -0.212 0.000 0.631 95 A CB -0.670 18.194 19.000 -0.227 0.000 0.814 95 A HN 0.202 nan 8.150 nan 0.000 0.446 96 V N -0.486 119.321 119.914 -0.178 0.000 2.358 96 V HA -0.204 3.917 4.120 0.001 0.000 0.246 96 V C 2.984 178.953 176.094 -0.207 0.000 1.047 96 V CA 1.866 64.070 62.300 -0.159 0.000 1.035 96 V CB -1.111 30.649 31.823 -0.106 0.000 0.658 96 V HN 0.615 nan 8.190 nan 0.000 0.452 97 A N -0.374 122.254 122.820 -0.320 0.000 1.968 97 A HA -0.044 4.277 4.320 0.001 0.000 0.217 97 A C 2.193 179.473 177.584 -0.506 0.000 1.169 97 A CA 1.257 52.956 52.037 -0.563 0.000 0.638 97 A CB -0.418 17.899 19.000 -1.138 0.000 0.812 97 A HN 0.489 nan 8.150 nan 0.000 0.446 98 L N -0.622 120.381 121.223 -0.367 0.000 2.046 98 L HA -0.131 4.210 4.340 0.001 0.000 0.208 98 L C 2.828 179.651 176.870 -0.078 0.000 1.077 98 L CA 1.193 55.936 54.840 -0.162 0.000 0.747 98 L CB -0.779 41.269 42.059 -0.018 0.000 0.896 98 L HN 0.476 nan 8.230 nan 0.000 0.432 99 G N -0.472 108.254 108.800 -0.124 0.000 2.422 99 G HA2 -0.290 3.671 3.960 0.001 0.000 0.218 99 G HA3 -0.290 3.671 3.960 0.001 0.000 0.218 99 G C 1.615 176.479 174.900 -0.059 0.000 1.146 99 G CA 0.703 45.754 45.100 -0.083 0.000 0.769 99 G HN 0.207 nan 8.290 nan 0.000 0.547 100 M N 0.360 119.905 119.600 -0.092 0.000 2.117 100 M HA -0.080 4.400 4.480 0.001 0.000 0.262 100 M C 2.477 178.759 176.300 -0.030 0.000 1.065 100 M CA 1.674 56.938 55.300 -0.061 0.000 1.114 100 M CB -0.656 31.897 32.600 -0.079 0.000 1.361 100 M HN 0.312 nan 8.290 nan 0.000 0.408 101 Q N -0.057 119.715 119.800 -0.046 0.000 2.135 101 Q HA -0.220 4.121 4.340 0.001 0.000 0.204 101 Q C 2.043 178.058 176.000 0.025 0.000 0.981 101 Q CA 1.678 57.483 55.803 0.003 0.000 0.856 101 Q CB -0.142 28.597 28.738 0.001 0.000 0.902 101 Q HN 0.564 nan 8.270 nan 0.000 0.425 102 Q N 0.254 120.073 119.800 0.032 0.000 2.096 102 Q HA -0.159 4.181 4.340 0.001 0.000 0.204 102 Q C 2.030 178.049 176.000 0.032 0.000 0.982 102 Q CA 1.383 57.216 55.803 0.049 0.000 0.850 102 Q CB -0.283 28.498 28.738 0.072 0.000 0.901 102 Q HN 0.479 nan 8.270 nan 0.000 0.422 103 I N 0.321 120.902 120.570 0.019 0.000 2.406 103 I HA -0.155 4.016 4.170 0.001 0.000 0.249 103 I C 2.246 178.374 176.117 0.019 0.000 1.122 103 I CA 0.892 62.201 61.300 0.015 0.000 1.431 103 I CB -0.344 37.660 38.000 0.007 0.000 1.087 103 I HN 0.045 nan 8.210 nan 0.000 0.424 104 A N 0.611 123.444 122.820 0.022 0.000 1.969 104 A HA -0.176 4.144 4.320 0.001 0.000 0.218 104 A C 2.326 179.927 177.584 0.028 0.000 1.169 104 A CA 2.111 54.164 52.037 0.028 0.000 0.635 104 A CB -1.105 17.918 19.000 0.038 0.000 0.810 104 A HN 0.495 nan 8.150 nan 0.000 0.445 105 T N -4.264 110.308 114.554 0.030 0.000 3.148 105 T HA 0.391 4.742 4.350 0.001 0.000 0.253 105 T C 1.354 176.067 174.700 0.022 0.000 1.134 105 T CA 1.047 63.163 62.100 0.027 0.000 1.051 105 T CB 0.044 68.929 68.868 0.029 0.000 0.959 105 T HN 1.649 nan 8.240 nan 0.000 0.525 106 G N 1.514 110.327 108.800 0.021 0.000 2.157 106 G HA2 -0.227 3.734 3.960 0.001 0.000 0.248 106 G HA3 -0.227 3.734 3.960 0.001 0.000 0.248 106 G C 0.491 175.402 174.900 0.018 0.000 0.979 106 G CA 0.244 45.355 45.100 0.018 0.000 0.650 106 G HN 0.541 nan 8.290 nan 0.000 0.529 107 D N 0.257 120.670 120.400 0.022 0.000 2.305 107 D HA 0.435 5.076 4.640 0.001 0.000 0.206 107 D C 1.369 177.686 176.300 0.029 0.000 0.974 107 D CA 1.384 55.399 54.000 0.024 0.000 0.871 107 D CB 0.455 41.271 40.800 0.028 0.000 0.947 107 D HN 0.968 nan 8.370 nan 0.000 0.516 108 A N -0.639 122.198 122.820 0.028 0.000 2.566 108 A HA 0.561 4.882 4.320 0.001 0.000 0.292 108 A C 0.423 178.019 177.584 0.018 0.000 1.112 108 A CA -0.447 51.606 52.037 0.027 0.000 0.707 108 A CB 1.708 20.729 19.000 0.035 0.000 1.302 108 A HN -0.115 nan 8.150 nan 0.000 0.409 109 S N -0.348 115.360 115.700 0.015 0.000 2.502 109 S HA 0.359 4.830 4.470 0.001 0.000 0.228 109 S C 0.245 174.849 174.600 0.006 0.000 1.061 109 S CA 0.540 58.746 58.200 0.010 0.000 0.935 109 S CB 0.129 63.334 63.200 0.009 0.000 0.809 109 S HN 0.547 nan 8.310 nan 0.000 0.510 110 I N 2.724 123.297 120.570 0.005 0.000 2.500 110 I HA 0.411 4.582 4.170 0.001 0.000 0.286 110 I C -1.477 174.636 176.117 -0.007 0.000 1.063 110 I CA -0.278 61.021 61.300 -0.002 0.000 1.062 110 I CB 1.802 39.802 38.000 -0.000 0.000 1.223 110 I HN 0.071 nan 8.210 nan 0.000 0.435 111 I N 6.266 126.825 120.570 -0.019 0.000 2.530 111 I HA 0.441 4.612 4.170 0.001 0.000 0.297 111 I C -0.010 176.077 176.117 -0.050 0.000 1.011 111 I CA -0.895 60.383 61.300 -0.036 0.000 1.107 111 I CB 2.480 40.452 38.000 -0.046 0.000 1.285 111 I HN 0.092 nan 8.210 nan 0.000 0.436 112 V N 4.872 124.748 119.914 -0.065 0.000 2.394 112 V HA 0.791 4.912 4.120 0.001 0.000 0.282 112 V C 0.289 176.314 176.094 -0.115 0.000 1.031 112 V CA -0.392 61.866 62.300 -0.070 0.000 0.881 112 V CB 1.356 33.146 31.823 -0.055 0.000 0.982 112 V HN 0.919 nan 8.190 nan 0.000 0.451 113 A N 3.424 126.176 122.820 -0.114 0.000 2.539 113 A HA 1.057 5.378 4.320 0.001 0.000 0.296 113 A C 0.013 177.524 177.584 -0.122 0.000 1.073 113 A CA 0.062 52.005 52.037 -0.157 0.000 0.700 113 A CB 2.156 21.049 19.000 -0.178 0.000 1.296 113 A HN 1.556 nan 8.150 nan 0.000 0.405 114 G N -0.956 107.762 108.800 -0.138 0.000 2.404 114 G HA2 0.668 4.628 3.960 0.001 0.000 0.253 114 G HA3 0.668 4.628 3.960 0.001 0.000 0.253 114 G C -0.277 174.561 174.900 -0.103 0.000 1.253 114 G CA 0.398 45.438 45.100 -0.099 0.000 0.917 114 G HN 2.122 nan 8.290 nan 0.000 0.480 115 G N -1.023 107.729 108.800 -0.080 0.000 2.649 115 G HA2 0.844 4.804 3.960 0.001 0.000 0.290 115 G HA3 0.844 4.804 3.960 0.001 0.000 0.290 115 G C -0.765 174.096 174.900 -0.066 0.000 1.426 115 G CA 0.118 45.175 45.100 -0.071 0.000 0.794 115 G HN 1.728 nan 8.290 nan 0.000 0.483 116 M N -0.883 118.683 119.600 -0.056 0.000 2.490 116 M HA 0.884 5.365 4.480 0.001 0.000 0.286 116 M C -1.864 174.410 176.300 -0.044 0.000 1.185 116 M CA -0.916 54.345 55.300 -0.066 0.000 0.912 116 M CB 2.695 35.250 32.600 -0.075 0.000 1.744 116 M HN 0.491 nan 8.290 nan 0.000 0.494 117 E N 0.771 120.939 120.200 -0.053 0.000 2.397 117 E HA 0.477 4.828 4.350 0.001 0.000 0.293 117 E C -2.012 174.572 176.600 -0.026 0.000 0.930 117 E CA -0.111 56.277 56.400 -0.020 0.000 0.793 117 E CB 2.391 32.096 29.700 0.008 0.000 1.259 117 E HN 0.724 nan 8.360 nan 0.000 0.406 118 S N 5.144 120.838 115.700 -0.010 0.000 2.577 118 S HA 0.314 4.785 4.470 0.001 0.000 0.294 118 S C 0.716 175.352 174.600 0.060 0.000 1.161 118 S CA -0.390 57.816 58.200 0.010 0.000 1.143 118 S CB 0.219 63.402 63.200 -0.028 0.000 0.991 118 S HN 0.706 nan 8.310 nan 0.000 0.475 119 M N 2.451 122.113 119.600 0.104 0.000 2.254 119 M HA -0.044 4.437 4.480 0.001 0.000 0.265 119 M C 2.250 178.713 176.300 0.270 0.000 1.066 119 M CA 1.062 56.461 55.300 0.165 0.000 1.123 119 M CB -0.409 32.275 32.600 0.140 0.000 1.388 119 M HN 0.595 nan 8.290 nan 0.000 0.425 120 S N 0.485 116.314 115.700 0.214 0.000 2.365 120 S HA -0.101 4.370 4.470 0.001 0.000 0.225 120 S C 1.714 176.309 174.600 -0.009 0.000 1.039 120 S CA 1.227 59.440 58.200 0.022 0.000 1.033 120 S CB -0.161 62.995 63.200 -0.074 0.000 0.887 120 S HN 0.428 nan 8.310 nan 0.000 0.447 121 M N 0.887 120.495 119.600 0.014 0.000 2.561 121 M HA 0.289 4.769 4.480 0.001 0.000 0.238 121 M C 0.685 176.997 176.300 0.021 0.000 1.131 121 M CA -0.187 55.111 55.300 -0.003 0.000 1.046 121 M CB -1.401 31.194 32.600 -0.009 0.000 1.532 121 M HN 0.162 nan 8.290 nan 0.000 0.497 122 A N 3.418 126.272 122.820 0.058 0.000 2.492 122 A HA 0.373 4.693 4.320 0.001 0.000 0.254 122 A C -1.970 175.650 177.584 0.061 0.000 1.091 122 A CA -0.782 51.300 52.037 0.076 0.000 0.768 122 A CB -0.655 18.412 19.000 0.112 0.000 1.028 122 A HN 0.157 nan 8.150 nan 0.000 0.498 123 P HA 0.311 nan 4.420 nan 0.000 0.278 123 P C -0.791 176.615 177.300 0.176 0.000 1.266 123 P CA -0.339 62.790 63.100 0.048 0.000 0.807 123 P CB 0.595 32.330 31.700 0.057 0.000 1.094 124 H N -0.710 118.397 119.070 0.062 0.000 2.525 124 H HA 0.388 4.945 4.556 0.001 0.000 0.339 124 H C 0.426 175.797 175.328 0.072 0.000 1.109 124 H CA -0.615 55.473 56.048 0.067 0.000 1.352 124 H CB 0.338 30.137 29.762 0.060 0.000 1.461 124 H HN 0.608 nan 8.280 nan 0.000 0.533 125 C N 0.766 120.182 119.300 0.192 0.000 3.154 125 C HA 1.003 5.464 4.460 0.001 0.000 0.312 125 C C -0.628 174.452 174.990 0.149 0.000 1.349 125 C CA -0.679 58.427 59.018 0.147 0.000 1.518 125 C CB 0.834 28.644 27.740 0.116 0.000 1.934 125 C HN 1.001 nan 8.230 nan 0.000 0.462 126 A N 0.583 123.489 122.820 0.144 0.000 2.540 126 A HA 0.604 4.924 4.320 0.001 0.000 0.297 126 A C -1.135 176.502 177.584 0.089 0.000 1.056 126 A CA -0.212 51.916 52.037 0.152 0.000 0.700 126 A CB 0.600 19.758 19.000 0.264 0.000 1.280 126 A HN 1.284 nan 8.150 nan 0.000 0.398 127 H N 3.488 122.551 119.070 -0.010 0.000 2.944 127 H HA 0.415 4.972 4.556 0.002 0.000 0.278 127 H C -0.548 174.711 175.328 -0.114 0.000 1.083 127 H CA 0.429 56.450 56.048 -0.046 0.000 1.479 127 H CB 0.528 30.269 29.762 -0.035 0.000 1.486 127 H HN 0.568 nan 8.280 nan 0.000 0.493 128 L N 5.289 126.219 121.223 -0.489 0.000 3.135 128 L HA 0.172 4.513 4.340 0.001 0.000 0.279 128 L C 2.212 178.838 176.870 -0.408 0.000 1.200 128 L CA -0.192 54.391 54.840 -0.429 0.000 1.016 128 L CB 0.301 42.178 42.059 -0.303 0.000 1.391 128 L HN 0.529 nan 8.230 nan 0.000 0.588 129 R N 0.782 120.942 120.500 -0.566 0.000 2.080 129 R HA -0.106 4.235 4.340 0.001 0.000 0.236 129 R C 2.207 178.374 176.300 -0.221 0.000 1.137 129 R CA 1.720 57.623 56.100 -0.329 0.000 0.943 129 R CB -0.706 29.430 30.300 -0.272 0.000 0.846 129 R HN 0.371 nan 8.270 nan 0.000 0.431 130 G N 0.448 109.115 108.800 -0.223 0.000 2.462 130 G HA2 0.048 4.008 3.960 0.001 0.000 0.220 130 G HA3 0.048 4.008 3.960 0.001 0.000 0.220 130 G C 0.647 175.482 174.900 -0.108 0.000 1.121 130 G CA 0.768 45.809 45.100 -0.099 0.000 0.758 130 G HN 0.704 nan 8.290 nan 0.000 0.559 131 G N -2.237 106.464 108.800 -0.165 0.000 2.730 131 G HA2 0.090 4.050 3.960 0.001 0.000 0.686 131 G HA3 0.090 4.050 3.960 0.001 0.000 0.686 131 G C -0.703 174.110 174.900 -0.145 0.000 1.343 131 G CA -0.417 44.594 45.100 -0.148 0.000 0.826 131 G HN 0.960 nan 8.290 nan 0.000 0.582 132 V N 1.850 121.684 119.914 -0.133 0.000 2.383 132 V HA 0.286 4.406 4.120 0.001 0.000 0.264 132 V C 1.296 177.376 176.094 -0.022 0.000 1.001 132 V CA -0.194 62.048 62.300 -0.096 0.000 0.828 132 V CB 0.919 32.641 31.823 -0.169 0.000 1.069 132 V HN 0.845 nan 8.190 nan 0.000 0.451 133 K N 2.641 123.033 120.400 -0.015 0.000 2.211 133 K HA 0.035 4.356 4.320 0.001 0.000 0.204 133 K C 0.537 177.149 176.600 0.019 0.000 1.047 133 K CA 1.270 57.557 56.287 0.001 0.000 0.935 133 K CB 0.251 32.750 32.500 -0.002 0.000 0.728 133 K HN 0.636 nan 8.250 nan 0.000 0.452 134 M N -1.552 118.066 119.600 0.030 0.000 2.449 134 M HA 0.349 4.830 4.480 0.001 0.000 0.291 134 M C -1.748 174.590 176.300 0.063 0.000 1.148 134 M CA -0.006 55.321 55.300 0.044 0.000 0.925 134 M CB 2.386 35.004 32.600 0.030 0.000 1.767 134 M HN 0.187 nan 8.290 nan 0.000 0.503 135 G N 2.439 111.285 108.800 0.077 0.000 2.697 135 G HA2 -0.008 3.953 3.960 0.001 0.000 0.686 135 G HA3 -0.008 3.953 3.960 0.001 0.000 0.686 135 G C -1.674 173.307 174.900 0.134 0.000 1.179 135 G CA -0.628 44.522 45.100 0.083 0.000 0.765 135 G HN 0.894 nan 8.290 nan 0.000 0.649 136 D N 0.269 120.720 120.400 0.085 0.000 2.472 136 D HA 0.493 5.134 4.640 0.001 0.000 0.237 136 D C 0.730 177.119 176.300 0.149 0.000 1.141 136 D CA 1.121 55.151 54.000 0.049 0.000 0.875 136 D CB 0.392 41.183 40.800 -0.015 0.000 1.192 136 D HN 0.644 nan 8.370 nan 0.000 0.450 137 F N -1.598 118.359 119.950 0.011 0.000 2.611 137 F HA 0.605 5.132 4.527 0.001 0.000 0.324 137 F C -0.218 175.589 175.800 0.010 0.000 1.061 137 F CA -1.418 56.590 58.000 0.012 0.000 0.954 137 F CB 1.252 40.261 39.000 0.015 0.000 1.301 137 F HN -0.123 nan 8.300 nan 0.000 0.482 138 K N 2.098 122.598 120.400 0.166 0.000 2.183 138 K HA 0.415 4.736 4.320 0.001 0.000 0.274 138 K C -0.746 175.919 176.600 0.107 0.000 1.009 138 K CA -0.780 55.529 56.287 0.035 0.000 0.888 138 K CB 1.228 33.755 32.500 0.044 0.000 1.078 138 K HN 0.536 nan 8.250 nan 0.000 0.459 139 M N 4.588 124.182 119.600 -0.011 0.000 2.105 139 M HA 0.232 4.713 4.480 0.001 0.000 0.350 139 M C -0.370 175.896 176.300 -0.057 0.000 1.308 139 M CA -0.421 54.905 55.300 0.043 0.000 1.108 139 M CB 0.361 32.986 32.600 0.041 0.000 1.622 139 M HN 0.366 nan 8.290 nan 0.000 0.468 140 I N 2.951 123.518 120.570 -0.004 0.000 2.342 140 I HA 0.107 4.277 4.170 0.001 0.000 0.291 140 I C 0.513 176.585 176.117 -0.075 0.000 1.010 140 I CA -0.513 60.758 61.300 -0.049 0.000 1.308 140 I CB 0.781 38.796 38.000 0.025 0.000 1.400 140 I HN 0.497 nan 8.210 nan 0.000 0.488 141 D N 5.404 125.685 120.400 -0.198 0.000 2.348 141 D HA -0.023 4.618 4.640 0.001 0.000 0.259 141 D C 1.482 177.858 176.300 0.128 0.000 1.296 141 D CA 0.090 54.096 54.000 0.011 0.000 0.931 141 D CB 0.980 41.765 40.800 -0.024 0.000 1.067 141 D HN 0.711 nan 8.370 nan 0.000 0.503 142 T N 1.475 116.136 114.554 0.178 0.000 2.833 142 T HA -0.256 4.095 4.350 0.001 0.000 0.269 142 T C 2.043 176.806 174.700 0.105 0.000 1.054 142 T CA 0.941 63.111 62.100 0.118 0.000 1.135 142 T CB -0.241 68.693 68.868 0.110 0.000 0.869 142 T HN 0.499 nan 8.240 nan 0.000 0.466 143 M N 0.606 120.285 119.600 0.131 0.000 2.082 143 M HA -0.061 4.420 4.480 0.001 0.000 0.258 143 M C 2.108 178.455 176.300 0.078 0.000 1.069 143 M CA 1.915 57.277 55.300 0.102 0.000 1.102 143 M CB -0.307 32.368 32.600 0.125 0.000 1.336 143 M HN 0.314 nan 8.290 nan 0.000 0.404 144 I N -0.370 120.256 120.570 0.093 0.000 2.235 144 I HA -0.242 3.929 4.170 0.001 0.000 0.241 144 I C 2.437 178.615 176.117 0.101 0.000 1.085 144 I CA 1.043 62.408 61.300 0.108 0.000 1.378 144 I CB -0.614 37.467 38.000 0.134 0.000 1.076 144 I HN 0.259 nan 8.210 nan 0.000 0.415 145 K N 1.539 121.982 120.400 0.072 0.000 1.991 145 K HA -0.207 4.114 4.320 0.001 0.000 0.212 145 K C 1.455 178.071 176.600 0.027 0.000 1.049 145 K CA 1.980 58.290 56.287 0.038 0.000 0.932 145 K CB -0.248 32.269 32.500 0.027 0.000 0.717 145 K HN 0.195 nan 8.250 nan 0.000 0.441 146 D N -1.711 118.712 120.400 0.038 0.000 2.348 146 D HA 0.095 4.735 4.640 0.001 0.000 0.211 146 D C 1.368 177.689 176.300 0.036 0.000 0.998 146 D CA 0.970 54.987 54.000 0.028 0.000 0.873 146 D CB 0.612 41.434 40.800 0.036 0.000 0.925 146 D HN 0.459 nan 8.370 nan 0.000 0.524 147 G N -0.438 108.390 108.800 0.047 0.000 2.768 147 G HA2 0.121 4.082 3.960 0.001 0.000 0.201 147 G HA3 0.121 4.082 3.960 0.001 0.000 0.201 147 G C 1.259 176.189 174.900 0.050 0.000 1.089 147 G CA -0.092 45.036 45.100 0.046 0.000 0.787 147 G HN 0.182 nan 8.290 nan 0.000 0.547 148 L N 0.761 122.026 121.223 0.071 0.000 2.817 148 L HA 0.297 4.638 4.340 0.001 0.000 0.248 148 L C 0.079 177.047 176.870 0.163 0.000 1.133 148 L CA 0.258 55.162 54.840 0.106 0.000 0.935 148 L CB 1.208 43.333 42.059 0.110 0.000 1.266 148 L HN -0.036 nan 8.230 nan 0.000 0.535 149 T N -0.131 114.492 114.554 0.115 0.000 2.779 149 T HA 0.187 4.538 4.350 0.001 0.000 0.280 149 T C -0.684 174.023 174.700 0.013 0.000 0.987 149 T CA -0.375 61.770 62.100 0.075 0.000 0.966 149 T CB 2.164 71.048 68.868 0.027 0.000 0.933 149 T HN -0.040 nan 8.240 nan 0.000 0.442 150 D N 1.856 122.264 120.400 0.014 0.000 2.390 150 D HA 0.405 5.046 4.640 0.001 0.000 0.249 150 D C 1.061 177.256 176.300 -0.176 0.000 1.144 150 D CA -0.291 53.697 54.000 -0.021 0.000 0.880 150 D CB 0.845 41.688 40.800 0.072 0.000 1.182 150 D HN 0.520 nan 8.370 nan 0.000 0.451 151 A N 3.142 125.750 122.820 -0.354 0.000 2.067 151 A HA -0.021 4.300 4.320 0.001 0.000 0.217 151 A C 1.366 178.565 177.584 -0.641 0.000 1.156 151 A CA 0.722 52.420 52.037 -0.566 0.000 0.683 151 A CB -0.428 18.094 19.000 -0.798 0.000 0.808 151 A HN 0.640 nan 8.150 nan 0.000 0.455 152 F N -2.895 116.926 119.950 -0.215 0.000 2.374 152 F HA 0.158 4.686 4.527 0.001 0.000 0.291 152 F C 1.744 177.187 175.800 -0.596 0.000 1.084 152 F CA 0.660 58.420 58.000 -0.399 0.000 1.413 152 F CB -0.322 38.392 39.000 -0.475 0.000 1.099 152 F HN 0.211 nan 8.300 nan 0.000 0.534 153 Y N -0.709 119.470 120.300 -0.201 0.000 2.481 153 Y HA 0.408 4.959 4.550 0.001 0.000 0.258 153 Y C 1.998 177.550 175.900 -0.580 0.000 1.103 153 Y CA 0.221 58.031 58.100 -0.484 0.000 1.287 153 Y CB 0.220 38.139 38.460 -0.902 0.000 1.108 153 Y HN 0.115 nan 8.280 nan 0.000 0.529 154 G N -0.323 108.268 108.800 -0.350 0.000 2.175 154 G HA2 -0.296 3.665 3.960 0.001 0.000 0.244 154 G HA3 -0.296 3.665 3.960 0.001 0.000 0.244 154 G C -0.186 174.624 174.900 -0.151 0.000 0.982 154 G CA 0.243 45.214 45.100 -0.214 0.000 0.641 154 G HN 0.362 nan 8.290 nan 0.000 0.527 155 Y N 0.298 120.577 120.300 -0.036 0.000 2.602 155 Y HA 0.847 5.398 4.550 0.001 0.000 0.330 155 Y C 0.620 176.444 175.900 -0.128 0.000 1.114 155 Y CA -2.804 55.220 58.100 -0.126 0.000 1.182 155 Y CB 0.313 38.741 38.460 -0.053 0.000 1.305 155 Y HN 0.226 nan 8.280 nan 0.000 0.502 156 H N 1.367 120.584 119.070 0.245 0.000 2.730 156 H HA 0.084 4.640 4.556 0.001 0.000 0.376 156 H C 1.099 176.417 175.328 -0.016 0.000 1.299 156 H CA 0.063 56.174 56.048 0.104 0.000 1.447 156 H CB 0.754 30.587 29.762 0.118 0.000 1.493 156 H HN 0.703 nan 8.280 nan 0.000 0.619 157 M N 1.021 120.683 119.600 0.103 0.000 2.159 157 M HA -0.086 4.395 4.480 0.001 0.000 0.263 157 M C 2.366 178.339 176.300 -0.545 0.000 1.063 157 M CA 1.364 56.651 55.300 -0.020 0.000 1.110 157 M CB -1.479 31.249 32.600 0.214 0.000 1.374 157 M HN 0.815 nan 8.290 nan 0.000 0.411 158 G N -0.372 107.867 108.800 -0.935 0.000 2.475 158 G HA2 -0.220 3.741 3.960 0.001 0.000 0.220 158 G HA3 -0.220 3.741 3.960 0.001 0.000 0.220 158 G C 1.530 175.602 174.900 -1.381 0.000 1.125 158 G CA 1.611 45.548 45.100 -1.937 0.000 0.755 158 G HN 0.423 nan 8.290 nan 0.000 0.565 159 T N 1.036 115.042 114.554 -0.913 0.000 2.821 159 T HA -0.154 4.197 4.350 0.001 0.000 0.267 159 T C 2.829 177.180 174.700 -0.582 0.000 1.046 159 T CA 2.109 63.828 62.100 -0.635 0.000 1.139 159 T CB -0.598 67.855 68.868 -0.691 0.000 0.871 159 T HN 0.611 nan 8.240 nan 0.000 0.454 160 T N 1.085 115.376 114.554 -0.438 0.000 2.803 160 T HA -0.033 4.318 4.350 0.001 0.000 0.269 160 T C 2.221 176.728 174.700 -0.323 0.000 1.052 160 T CA 1.194 63.134 62.100 -0.267 0.000 1.136 160 T CB -0.562 68.256 68.868 -0.084 0.000 0.864 160 T HN 0.328 nan 8.240 nan 0.000 0.467 161 A N 1.699 124.183 122.820 -0.560 0.000 1.933 161 A HA -0.082 4.239 4.320 0.001 0.000 0.218 161 A C 2.478 179.882 177.584 -0.301 0.000 1.175 161 A CA 1.473 53.199 52.037 -0.518 0.000 0.628 161 A CB -0.574 17.817 19.000 -1.015 0.000 0.814 161 A HN 0.459 nan 8.150 nan 0.000 0.444 162 E N 0.549 120.560 120.200 -0.315 0.000 2.077 162 E HA -0.159 4.192 4.350 0.001 0.000 0.193 162 E C 1.734 178.249 176.600 -0.142 0.000 0.989 162 E CA 1.105 57.397 56.400 -0.181 0.000 0.800 162 E CB -0.411 29.186 29.700 -0.172 0.000 0.746 162 E HN 0.593 nan 8.360 nan 0.000 0.452 163 N N 0.389 118.979 118.700 -0.183 0.000 2.166 163 N HA -0.123 4.618 4.740 0.001 0.000 0.186 163 N C 2.007 177.489 175.510 -0.048 0.000 1.019 163 N CA 0.818 53.791 53.050 -0.128 0.000 0.856 163 N CB -0.401 37.995 38.487 -0.153 0.000 0.993 163 N HN 0.022 nan 8.380 nan 0.000 0.426 164 V N 1.443 121.341 119.914 -0.027 0.000 2.379 164 V HA -0.103 4.018 4.120 0.001 0.000 0.245 164 V C 2.427 178.609 176.094 0.147 0.000 1.044 164 V CA 1.513 63.869 62.300 0.094 0.000 1.036 164 V CB -0.940 30.917 31.823 0.056 0.000 0.664 164 V HN 0.267 nan 8.190 nan 0.000 0.453 165 A N -0.129 122.718 122.820 0.045 0.000 1.892 165 A HA -0.303 4.018 4.320 0.001 0.000 0.218 165 A C 2.305 179.937 177.584 0.080 0.000 1.188 165 A CA 2.335 54.406 52.037 0.056 0.000 0.631 165 A CB -0.510 18.495 19.000 0.008 0.000 0.822 165 A HN 0.520 nan 8.150 nan 0.000 0.447 166 K N -0.963 119.455 120.400 0.030 0.000 2.057 166 K HA -0.155 4.165 4.320 0.001 0.000 0.207 166 K C 2.405 179.005 176.600 -0.000 0.000 1.049 166 K CA 1.493 57.784 56.287 0.006 0.000 0.931 166 K CB -0.194 32.289 32.500 -0.028 0.000 0.714 166 K HN 0.606 nan 8.250 nan 0.000 0.440 167 Q N -0.902 118.900 119.800 0.003 0.000 2.096 167 Q HA -0.183 4.158 4.340 0.001 0.000 0.204 167 Q C 1.248 177.140 176.000 -0.180 0.000 0.982 167 Q CA 1.580 57.326 55.803 -0.095 0.000 0.850 167 Q CB -0.003 28.685 28.738 -0.083 0.000 0.901 167 Q HN 0.432 nan 8.270 nan 0.000 0.422 168 W N 0.235 121.510 121.300 -0.042 0.000 3.278 168 W HA 0.141 4.801 4.660 0.001 0.000 0.308 168 W C -0.071 176.430 176.519 -0.030 0.000 1.253 168 W CA -0.159 57.164 57.345 -0.037 0.000 1.759 168 W CB 0.581 30.016 29.460 -0.042 0.000 1.093 168 W HN 0.119 nan 8.180 nan 0.000 0.648 169 Q N 0.458 120.334 119.800 0.127 0.000 2.451 169 Q HA -0.217 4.124 4.340 0.001 0.000 0.305 169 Q C -0.456 175.601 176.000 0.094 0.000 1.345 169 Q CA 0.333 56.182 55.803 0.078 0.000 0.854 169 Q CB -2.246 26.519 28.738 0.045 0.000 1.162 169 Q HN 0.318 nan 8.270 nan 0.000 0.440 170 L N 1.319 122.604 121.223 0.103 0.000 2.281 170 L HA 0.265 4.606 4.340 0.001 0.000 0.285 170 L C 1.081 177.982 176.870 0.051 0.000 1.074 170 L CA -0.352 54.532 54.840 0.073 0.000 0.817 170 L CB 0.884 42.973 42.059 0.051 0.000 1.168 170 L HN 0.234 nan 8.230 nan 0.000 0.434 171 S N 2.166 117.894 115.700 0.047 0.000 2.585 171 S HA 0.130 4.601 4.470 0.001 0.000 0.273 171 S C 1.036 175.663 174.600 0.045 0.000 1.339 171 S CA -0.707 57.517 58.200 0.042 0.000 1.028 171 S CB 1.584 64.808 63.200 0.040 0.000 0.906 171 S HN 0.686 nan 8.310 nan 0.000 0.528 172 R N 1.499 122.024 120.500 0.043 0.000 2.112 172 R HA -0.179 4.162 4.340 0.001 0.000 0.242 172 R C 1.256 177.589 176.300 0.055 0.000 1.137 172 R CA 2.517 58.646 56.100 0.049 0.000 0.944 172 R CB -1.384 28.940 30.300 0.041 0.000 0.857 172 R HN 0.828 nan 8.270 nan 0.000 0.435 173 D N 0.023 120.452 120.400 0.049 0.000 2.106 173 D HA -0.207 4.434 4.640 0.001 0.000 0.191 173 D C 1.756 178.095 176.300 0.066 0.000 0.997 173 D CA 1.798 55.829 54.000 0.051 0.000 0.834 173 D CB -0.408 40.418 40.800 0.042 0.000 0.956 173 D HN 0.602 nan 8.370 nan 0.000 0.448 174 E N 0.413 120.652 120.200 0.065 0.000 2.110 174 E HA -0.204 4.146 4.350 0.001 0.000 0.193 174 E C 1.911 178.574 176.600 0.105 0.000 0.988 174 E CA 0.857 57.304 56.400 0.078 0.000 0.804 174 E CB 0.057 29.791 29.700 0.058 0.000 0.745 174 E HN 0.331 nan 8.360 nan 0.000 0.458 175 Q N 0.088 119.940 119.800 0.088 0.000 2.119 175 Q HA -0.161 4.180 4.340 0.001 0.000 0.201 175 Q C 1.717 177.819 176.000 0.170 0.000 0.972 175 Q CA 1.513 57.383 55.803 0.111 0.000 0.847 175 Q CB 0.041 28.830 28.738 0.086 0.000 0.903 175 Q HN 0.295 nan 8.270 nan 0.000 0.433 176 D N 0.310 120.785 120.400 0.125 0.000 2.123 176 D HA -0.059 4.581 4.640 0.001 0.000 0.200 176 D C 1.726 178.090 176.300 0.106 0.000 0.976 176 D CA 1.171 55.236 54.000 0.109 0.000 0.831 176 D CB -0.157 40.688 40.800 0.074 0.000 0.974 176 D HN 0.230 nan 8.370 nan 0.000 0.469 177 A N -0.084 122.800 122.820 0.108 0.000 1.972 177 A HA -0.152 4.169 4.320 0.001 0.000 0.219 177 A C 2.047 179.698 177.584 0.110 0.000 1.169 177 A CA 0.841 52.932 52.037 0.090 0.000 0.635 177 A CB -0.867 18.184 19.000 0.084 0.000 0.810 177 A HN 0.286 nan 8.150 nan 0.000 0.446 178 F N 0.646 120.612 119.950 0.026 0.000 2.128 178 F HA 0.055 4.582 4.527 0.001 0.000 0.295 178 F C 2.517 178.333 175.800 0.027 0.000 1.100 178 F CA 1.153 59.170 58.000 0.028 0.000 1.260 178 F CB -0.293 38.728 39.000 0.035 0.000 1.009 178 F HN 0.244 nan 8.300 nan 0.000 0.476 179 A N -0.132 122.799 122.820 0.185 0.000 1.908 179 A HA -0.151 4.169 4.320 0.001 0.000 0.218 179 A C 2.257 179.820 177.584 -0.034 0.000 1.181 179 A CA 2.078 54.164 52.037 0.081 0.000 0.627 179 A CB -1.376 17.700 19.000 0.126 0.000 0.818 179 A HN 0.281 nan 8.150 nan 0.000 0.445 180 V N -0.237 119.665 119.914 -0.021 0.000 2.358 180 V HA -0.216 3.905 4.120 0.001 0.000 0.246 180 V C 3.064 179.105 176.094 -0.088 0.000 1.047 180 V CA 1.813 64.087 62.300 -0.043 0.000 1.035 180 V CB -1.246 30.566 31.823 -0.018 0.000 0.658 180 V HN 0.622 nan 8.190 nan 0.000 0.452 181 A N -0.556 122.191 122.820 -0.121 0.000 1.917 181 A HA -0.281 4.039 4.320 0.001 0.000 0.219 181 A C 2.570 180.024 177.584 -0.216 0.000 1.182 181 A CA 2.480 54.417 52.037 -0.167 0.000 0.633 181 A CB -0.820 18.060 19.000 -0.200 0.000 0.819 181 A HN 0.498 nan 8.150 nan 0.000 0.448 182 S N -1.259 114.263 115.700 -0.297 0.000 2.368 182 S HA -0.172 4.299 4.470 0.001 0.000 0.224 182 S C 2.194 176.718 174.600 -0.126 0.000 1.029 182 S CA 1.443 59.488 58.200 -0.258 0.000 0.988 182 S CB -0.364 62.656 63.200 -0.299 0.000 0.838 182 S HN 0.605 nan 8.310 nan 0.000 0.462 183 Q N 1.141 120.878 119.800 -0.105 0.000 2.050 183 Q HA -0.057 4.284 4.340 0.001 0.000 0.202 183 Q C 1.965 177.914 176.000 -0.085 0.000 0.980 183 Q CA 1.533 57.288 55.803 -0.080 0.000 0.840 183 Q CB -0.795 27.897 28.738 -0.077 0.000 0.898 183 Q HN 0.713 nan 8.270 nan 0.000 0.424 184 N N 0.466 119.110 118.700 -0.093 0.000 2.244 184 N HA -0.108 4.633 4.740 0.001 0.000 0.183 184 N C 1.757 177.208 175.510 -0.099 0.000 1.016 184 N CA 0.562 53.554 53.050 -0.096 0.000 0.866 184 N CB 0.048 38.485 38.487 -0.084 0.000 0.980 184 N HN 0.160 nan 8.380 nan 0.000 0.430 185 K N 0.717 121.059 120.400 -0.097 0.000 2.057 185 K HA -0.035 4.286 4.320 0.001 0.000 0.206 185 K C 2.083 178.640 176.600 -0.073 0.000 1.050 185 K CA 1.100 57.332 56.287 -0.092 0.000 0.935 185 K CB -0.021 32.421 32.500 -0.097 0.000 0.715 185 K HN 0.146 nan 8.250 nan 0.000 0.439 186 A N 1.165 123.972 122.820 -0.022 0.000 1.898 186 A HA -0.155 4.166 4.320 0.001 0.000 0.214 186 A C 1.993 179.612 177.584 0.058 0.000 1.183 186 A CA 1.169 53.265 52.037 0.098 0.000 0.622 186 A CB -0.363 18.724 19.000 0.144 0.000 0.824 186 A HN 0.347 nan 8.150 nan 0.000 0.444 187 E N 0.145 120.307 120.200 -0.063 0.000 2.118 187 E HA -0.182 4.169 4.350 0.001 0.000 0.195 187 E C 2.072 178.562 176.600 -0.184 0.000 0.992 187 E CA 1.116 57.389 56.400 -0.213 0.000 0.804 187 E CB -0.219 29.260 29.700 -0.369 0.000 0.741 187 E HN 0.536 nan 8.360 nan 0.000 0.458 188 A N 1.330 124.059 122.820 -0.151 0.000 1.855 188 A HA -0.076 4.245 4.320 0.001 0.000 0.215 188 A C 2.460 179.933 177.584 -0.186 0.000 1.191 188 A CA 1.856 53.804 52.037 -0.147 0.000 0.613 188 A CB -0.968 17.956 19.000 -0.127 0.000 0.829 188 A HN 0.412 nan 8.150 nan 0.000 0.442 189 A N -0.802 121.861 122.820 -0.263 0.000 1.892 189 A HA -0.298 4.023 4.320 0.001 0.000 0.218 189 A C 2.230 179.502 177.584 -0.520 0.000 1.188 189 A CA 2.122 53.860 52.037 -0.499 0.000 0.631 189 A CB -0.755 17.739 19.000 -0.843 0.000 0.822 189 A HN 0.685 nan 8.150 nan 0.000 0.447 190 Q N -0.535 119.092 119.800 -0.289 0.000 2.061 190 Q HA -0.225 4.116 4.340 0.001 0.000 0.204 190 Q C 2.140 178.133 176.000 -0.011 0.000 0.984 190 Q CA 2.033 57.853 55.803 0.029 0.000 0.846 190 Q CB -0.140 28.739 28.738 0.234 0.000 0.902 190 Q HN 0.663 nan 8.270 nan 0.000 0.421 191 K N -0.045 120.326 120.400 -0.049 0.000 2.057 191 K HA -0.120 4.201 4.320 0.001 0.000 0.206 191 K C 1.211 177.780 176.600 -0.052 0.000 1.050 191 K CA 1.348 57.615 56.287 -0.033 0.000 0.935 191 K CB 0.108 32.575 32.500 -0.056 0.000 0.715 191 K HN 0.277 nan 8.250 nan 0.000 0.439 192 D N -0.556 119.789 120.400 -0.093 0.000 2.363 192 D HA 0.023 4.664 4.640 0.001 0.000 0.226 192 D C 0.903 177.148 176.300 -0.092 0.000 1.020 192 D CA 0.683 54.628 54.000 -0.091 0.000 0.892 192 D CB 0.317 41.051 40.800 -0.110 0.000 0.900 192 D HN 0.412 nan 8.370 nan 0.000 0.531 193 G N 1.251 109.996 108.800 -0.091 0.000 2.143 193 G HA2 -0.392 3.569 3.960 0.001 0.000 0.248 193 G HA3 -0.392 3.569 3.960 0.001 0.000 0.248 193 G C 1.144 175.986 174.900 -0.097 0.000 0.991 193 G CA 0.056 45.118 45.100 -0.063 0.000 0.689 193 G HN 0.357 nan 8.290 nan 0.000 0.522 194 R N -1.060 119.316 120.500 -0.207 0.000 2.280 194 R HA 0.150 4.490 4.340 0.001 0.000 0.207 194 R C 1.409 177.587 176.300 -0.204 0.000 1.043 194 R CA 0.824 56.781 56.100 -0.238 0.000 1.006 194 R CB -0.179 29.924 30.300 -0.328 0.000 0.885 194 R HN 0.423 nan 8.270 nan 0.000 0.467 195 F N 0.448 120.372 119.950 -0.044 0.000 2.776 195 F HA 0.139 4.667 4.527 0.001 0.000 0.300 195 F C 2.083 177.818 175.800 -0.107 0.000 1.116 195 F CA 0.008 57.971 58.000 -0.062 0.000 1.375 195 F CB -0.093 38.888 39.000 -0.031 0.000 1.109 195 F HN -0.142 nan 8.300 nan 0.000 0.585 196 K N 0.621 121.050 120.400 0.048 0.000 2.025 196 K HA -0.144 4.177 4.320 0.001 0.000 0.207 196 K C 1.542 178.070 176.600 -0.119 0.000 1.049 196 K CA 1.723 58.001 56.287 -0.014 0.000 0.933 196 K CB -0.053 32.438 32.500 -0.014 0.000 0.714 196 K HN -0.015 nan 8.250 nan 0.000 0.438 197 D N 0.990 121.275 120.400 -0.192 0.000 2.106 197 D HA -0.232 4.409 4.640 0.001 0.000 0.191 197 D C 1.828 177.685 176.300 -0.738 0.000 0.997 197 D CA 1.849 55.621 54.000 -0.381 0.000 0.834 197 D CB -0.271 40.306 40.800 -0.372 0.000 0.956 197 D HN 0.583 nan 8.370 nan 0.000 0.448 198 E N 0.403 120.082 120.200 -0.869 0.000 2.208 198 E HA -0.082 4.268 4.350 0.001 0.000 0.193 198 E C 0.869 177.287 176.600 -0.304 0.000 0.988 198 E CA 0.283 56.150 56.400 -0.888 0.000 0.828 198 E CB -0.015 29.430 29.700 -0.424 0.000 0.763 198 E HN 0.252 nan 8.360 nan 0.000 0.478 199 I N 2.354 122.818 120.570 -0.176 0.000 2.474 199 I HA 0.075 4.246 4.170 0.001 0.000 0.287 199 I C -0.346 175.742 176.117 -0.049 0.000 1.048 199 I CA -0.591 60.669 61.300 -0.066 0.000 1.383 199 I CB 1.773 39.764 38.000 -0.015 0.000 1.412 199 I HN -0.033 nan 8.210 nan 0.000 0.531 200 V N 9.201 129.112 119.914 -0.005 0.000 2.384 200 V HA 0.455 4.576 4.120 0.001 0.000 0.287 200 V C -2.244 173.888 176.094 0.063 0.000 1.020 200 V CA -2.114 60.197 62.300 0.019 0.000 0.850 200 V CB 1.731 33.569 31.823 0.025 0.000 0.987 200 V HN 0.521 nan 8.190 nan 0.000 0.436 201 P HA 0.140 nan 4.420 nan 0.000 0.266 201 P C -1.269 176.115 177.300 0.140 0.000 1.195 201 P CA 0.313 63.472 63.100 0.099 0.000 0.768 201 P CB 0.167 31.898 31.700 0.051 0.000 0.838 202 F N 3.511 123.492 119.950 0.051 0.000 2.469 202 F HA 0.524 5.052 4.527 0.001 0.000 0.332 202 F C -0.503 175.331 175.800 0.057 0.000 1.103 202 F CA -0.970 57.042 58.000 0.020 0.000 0.979 202 F CB 0.833 39.808 39.000 -0.042 0.000 1.137 202 F HN 0.118 nan 8.300 nan 0.000 0.463 203 I N 6.930 127.068 120.570 -0.720 0.000 2.312 203 I HA 0.246 4.417 4.170 0.001 0.000 0.290 203 I C -0.784 175.010 176.117 -0.538 0.000 1.008 203 I CA -0.970 60.064 61.300 -0.442 0.000 1.226 203 I CB 1.316 39.121 38.000 -0.324 0.000 1.371 203 I HN 0.237 nan 8.210 nan 0.000 0.468 204 V N 7.499 127.375 119.914 -0.064 0.000 2.405 204 V HA 0.122 4.243 4.120 0.001 0.000 0.264 204 V C 0.500 176.599 176.094 0.009 0.000 1.048 204 V CA -0.630 61.733 62.300 0.105 0.000 0.966 204 V CB 0.187 32.165 31.823 0.258 0.000 1.015 204 V HN 0.621 nan 8.190 nan 0.000 0.477 205 K N 4.378 124.768 120.400 -0.015 0.000 2.316 205 K HA 0.541 4.862 4.320 0.001 0.000 0.289 205 K C 0.512 177.119 176.600 0.011 0.000 1.070 205 K CA -0.024 56.251 56.287 -0.019 0.000 0.928 205 K CB 1.486 33.965 32.500 -0.035 0.000 1.039 205 K HN 0.836 nan 8.250 nan 0.000 0.480 206 G N 1.369 110.173 108.800 0.006 0.000 3.108 206 G HA2 0.182 4.143 3.960 0.001 0.000 0.268 206 G HA3 0.182 4.143 3.960 0.001 0.000 0.268 206 G C 0.596 175.497 174.900 0.001 0.000 1.361 206 G CA -0.649 44.457 45.100 0.009 0.000 1.047 206 G HN 0.622 nan 8.290 nan 0.000 0.540 207 R N -0.490 120.011 120.500 0.001 0.000 2.080 207 R HA 0.119 4.460 4.340 0.001 0.000 0.222 207 R C 1.338 177.636 176.300 -0.003 0.000 1.107 207 R CA 0.730 56.829 56.100 -0.002 0.000 0.980 207 R CB -0.241 30.058 30.300 -0.001 0.000 0.879 207 R HN 0.313 nan 8.270 nan 0.000 0.439 208 K N 0.931 121.329 120.400 -0.003 0.000 2.418 208 K HA 0.173 4.494 4.320 0.001 0.000 0.195 208 K C 0.397 176.994 176.600 -0.005 0.000 1.035 208 K CA 0.807 57.091 56.287 -0.004 0.000 1.003 208 K CB 0.808 33.305 32.500 -0.004 0.000 0.793 208 K HN 0.470 nan 8.250 nan 0.000 0.494 209 G N 1.412 110.209 108.800 -0.005 0.000 2.343 209 G HA2 -0.027 3.934 3.960 0.001 0.000 0.298 209 G HA3 -0.027 3.934 3.960 0.001 0.000 0.298 209 G C -1.950 172.946 174.900 -0.008 0.000 1.644 209 G CA -1.015 44.080 45.100 -0.008 0.000 0.958 209 G HN -0.111 nan 8.290 nan 0.000 0.702 210 D N 0.005 120.396 120.400 -0.014 0.000 2.414 210 D HA 0.485 5.125 4.640 0.001 0.000 0.242 210 D C 0.493 176.787 176.300 -0.010 0.000 1.129 210 D CA 0.630 54.617 54.000 -0.020 0.000 0.885 210 D CB 1.171 41.949 40.800 -0.037 0.000 1.198 210 D HN 0.403 nan 8.370 nan 0.000 0.437 211 I N 1.583 122.153 120.570 0.001 0.000 2.447 211 I HA 0.137 4.307 4.170 0.001 0.000 0.287 211 I C -0.105 176.030 176.117 0.030 0.000 1.023 211 I CA -0.552 60.758 61.300 0.017 0.000 1.083 211 I CB 1.912 39.930 38.000 0.030 0.000 1.245 211 I HN 0.058 nan 8.210 nan 0.000 0.434 212 T N 5.813 120.380 114.554 0.022 0.000 2.771 212 T HA 0.385 4.735 4.350 0.001 0.000 0.291 212 T C -0.106 174.637 174.700 0.072 0.000 0.954 212 T CA -0.346 61.775 62.100 0.036 0.000 1.045 212 T CB 1.235 70.110 68.868 0.010 0.000 0.917 212 T HN 0.173 nan 8.240 nan 0.000 0.484 213 V N 4.677 124.679 119.914 0.148 0.000 2.357 213 V HA 0.387 4.507 4.120 0.001 0.000 0.284 213 V C 0.018 176.210 176.094 0.163 0.000 1.018 213 V CA -0.750 61.640 62.300 0.150 0.000 0.841 213 V CB 1.394 33.349 31.823 0.221 0.000 0.991 213 V HN 1.025 nan 8.190 nan 0.000 0.437 214 D N 2.662 123.116 120.400 0.091 0.000 2.651 214 D HA 0.424 5.065 4.640 0.001 0.000 0.280 214 D C -0.104 176.231 176.300 0.057 0.000 1.496 214 D CA 0.081 54.129 54.000 0.080 0.000 0.792 214 D CB 0.931 41.767 40.800 0.059 0.000 1.144 214 D HN 0.567 nan 8.370 nan 0.000 0.470 215 A N 0.199 123.043 122.820 0.040 0.000 2.398 215 A HA 0.480 4.801 4.320 0.001 0.000 0.301 215 A C -0.964 176.618 177.584 -0.004 0.000 1.041 215 A CA -0.802 51.255 52.037 0.034 0.000 0.711 215 A CB 1.274 20.296 19.000 0.037 0.000 1.240 215 A HN 0.005 nan 8.150 nan 0.000 0.420 216 D N 2.497 122.886 120.400 -0.018 0.000 2.389 216 D HA 0.075 4.716 4.640 0.001 0.000 0.263 216 D C 0.995 177.296 176.300 0.001 0.000 1.255 216 D CA 0.554 54.526 54.000 -0.047 0.000 0.914 216 D CB 0.980 41.697 40.800 -0.139 0.000 1.116 216 D HN 0.771 nan 8.370 nan 0.000 0.502 217 E N 1.662 121.851 120.200 -0.017 0.000 2.474 217 E HA -0.144 4.207 4.350 0.001 0.000 0.194 217 E C 1.228 177.874 176.600 0.077 0.000 1.041 217 E CA 0.016 56.410 56.400 -0.009 0.000 0.874 217 E CB -0.054 29.603 29.700 -0.072 0.000 0.914 217 E HN 0.418 nan 8.360 nan 0.000 0.498 218 Y N 1.916 122.191 120.300 -0.042 0.000 2.457 218 Y HA 0.189 4.740 4.550 0.001 0.000 0.292 218 Y C 0.537 176.449 175.900 0.019 0.000 1.125 218 Y CA -0.633 57.459 58.100 -0.013 0.000 1.254 218 Y CB 0.184 38.637 38.460 -0.013 0.000 1.012 218 Y HN -0.082 nan 8.280 nan 0.000 0.555 219 I N 2.750 123.325 120.570 0.010 0.000 2.741 219 I HA -0.092 4.079 4.170 0.001 0.000 0.288 219 I C 0.365 176.501 176.117 0.032 0.000 1.192 219 I CA 0.649 61.947 61.300 -0.004 0.000 1.426 219 I CB 0.238 38.315 38.000 0.128 0.000 1.367 219 I HN -0.015 nan 8.210 nan 0.000 0.563 220 R N 5.244 125.716 120.500 -0.048 0.000 2.216 220 R HA 0.255 4.595 4.340 0.001 0.000 0.332 220 R C -0.672 175.695 176.300 0.111 0.000 1.056 220 R CA -0.821 55.283 56.100 0.006 0.000 0.901 220 R CB 0.451 30.703 30.300 -0.080 0.000 1.039 220 R HN 0.444 nan 8.270 nan 0.000 0.456 221 H N 0.968 120.008 119.070 -0.050 0.000 2.819 221 H HA 0.153 4.709 4.556 0.001 0.000 0.303 221 H C 1.129 176.438 175.328 -0.032 0.000 1.058 221 H CA 0.496 56.525 56.048 -0.033 0.000 1.471 221 H CB 1.187 30.936 29.762 -0.023 0.000 1.480 221 H HN 0.929 nan 8.280 nan 0.000 0.517 222 G N 2.350 111.147 108.800 -0.005 0.000 2.256 222 G HA2 -0.131 3.830 3.960 0.001 0.000 0.272 222 G HA3 -0.131 3.830 3.960 0.001 0.000 0.272 222 G C 0.343 175.236 174.900 -0.012 0.000 1.076 222 G CA -0.012 45.081 45.100 -0.011 0.000 0.882 222 G HN 0.891 nan 8.290 nan 0.000 0.497 223 A N 0.195 122.999 122.820 -0.026 0.000 2.425 223 A HA 0.790 5.111 4.320 0.001 0.000 0.249 223 A C 0.933 178.504 177.584 -0.023 0.000 1.084 223 A CA 1.076 53.098 52.037 -0.025 0.000 0.781 223 A CB 0.431 19.408 19.000 -0.038 0.000 1.019 223 A HN 1.904 nan 8.150 nan 0.000 0.490 224 T N 0.222 114.768 114.554 -0.013 0.000 2.924 224 T HA 0.450 4.801 4.350 0.001 0.000 0.291 224 T C 0.766 175.465 174.700 -0.002 0.000 1.045 224 T CA -0.646 61.449 62.100 -0.009 0.000 1.015 224 T CB 1.019 69.884 68.868 -0.005 0.000 1.103 224 T HN 0.487 nan 8.240 nan 0.000 0.496 225 L N 1.046 122.270 121.223 0.002 0.000 2.079 225 L HA -0.001 4.340 4.340 0.001 0.000 0.210 225 L C 2.003 178.880 176.870 0.012 0.000 1.081 225 L CA 2.034 56.881 54.840 0.011 0.000 0.752 225 L CB -1.146 40.921 42.059 0.013 0.000 0.896 225 L HN 0.952 nan 8.230 nan 0.000 0.433 226 D N -1.375 119.030 120.400 0.008 0.000 2.104 226 D HA -0.198 4.443 4.640 0.001 0.000 0.194 226 D C 2.408 178.713 176.300 0.008 0.000 0.994 226 D CA 1.506 55.511 54.000 0.008 0.000 0.830 226 D CB 0.020 40.824 40.800 0.005 0.000 0.959 226 D HN 0.555 nan 8.370 nan 0.000 0.452 227 S N -0.472 115.231 115.700 0.006 0.000 2.359 227 S HA -0.219 4.251 4.470 0.001 0.000 0.224 227 S C 2.065 176.671 174.600 0.010 0.000 1.035 227 S CA 1.142 59.345 58.200 0.005 0.000 1.018 227 S CB -0.433 62.768 63.200 0.001 0.000 0.876 227 S HN 0.148 nan 8.310 nan 0.000 0.448 228 M N 2.125 121.733 119.600 0.014 0.000 2.108 228 M HA 0.056 4.537 4.480 0.001 0.000 0.261 228 M C 2.624 178.940 176.300 0.027 0.000 1.066 228 M CA 1.729 57.043 55.300 0.024 0.000 1.107 228 M CB -1.941 30.679 32.600 0.033 0.000 1.356 228 M HN 0.601 nan 8.290 nan 0.000 0.406 229 A N -0.533 122.301 122.820 0.023 0.000 2.167 229 A HA -0.080 4.241 4.320 0.001 0.000 0.214 229 A C 2.187 179.781 177.584 0.018 0.000 1.151 229 A CA 0.921 52.972 52.037 0.023 0.000 0.735 229 A CB -0.447 18.566 19.000 0.021 0.000 0.802 229 A HN 0.447 nan 8.150 nan 0.000 0.467 230 K N -0.499 119.909 120.400 0.014 0.000 2.228 230 K HA 0.117 4.438 4.320 0.001 0.000 0.202 230 K C 0.116 176.721 176.600 0.009 0.000 1.051 230 K CA 0.158 56.451 56.287 0.010 0.000 0.960 230 K CB -0.195 32.310 32.500 0.008 0.000 0.743 230 K HN 0.451 nan 8.250 nan 0.000 0.458 231 L N 1.406 122.637 121.223 0.012 0.000 2.464 231 L HA 0.125 4.466 4.340 0.001 0.000 0.264 231 L C 0.553 177.427 176.870 0.006 0.000 1.199 231 L CA -0.281 54.565 54.840 0.009 0.000 0.818 231 L CB 0.411 42.479 42.059 0.015 0.000 1.102 231 L HN 0.017 nan 8.230 nan 0.000 0.473 232 R N 1.247 121.743 120.500 -0.006 0.000 2.536 232 R HA 0.383 4.723 4.340 0.001 0.000 0.279 232 R C -2.343 173.943 176.300 -0.024 0.000 1.001 232 R CA -1.871 54.221 56.100 -0.013 0.000 1.027 232 R CB 0.763 31.050 30.300 -0.022 0.000 1.096 232 R HN 0.318 nan 8.270 nan 0.000 0.502 233 P HA -0.016 nan 4.420 nan 0.000 0.264 233 P C -0.427 176.810 177.300 -0.104 0.000 1.193 233 P CA 0.333 63.420 63.100 -0.021 0.000 0.763 233 P CB 0.844 32.547 31.700 0.005 0.000 0.810 234 A N 1.913 124.597 122.820 -0.226 0.000 2.220 234 A HA 0.178 4.499 4.320 0.001 0.000 0.211 234 A C 0.776 177.858 177.584 -0.837 0.000 1.176 234 A CA 0.643 52.334 52.037 -0.576 0.000 0.834 234 A CB -0.597 17.907 19.000 -0.827 0.000 0.868 234 A HN 0.495 nan 8.150 nan 0.000 0.488 235 F N -1.222 118.731 119.950 0.005 0.000 2.876 235 F HA 0.300 4.827 4.527 0.001 0.000 0.344 235 F C -0.090 175.697 175.800 -0.021 0.000 1.029 235 F CA -0.527 57.473 58.000 0.001 0.000 1.154 235 F CB 0.857 39.836 39.000 -0.034 0.000 1.040 235 F HN 0.108 nan 8.300 nan 0.000 0.576 236 D N -0.040 120.425 120.400 0.108 0.000 2.891 236 D HA 0.213 4.854 4.640 0.001 0.000 0.224 236 D C 0.518 176.833 176.300 0.025 0.000 1.321 236 D CA -0.292 53.739 54.000 0.052 0.000 0.929 236 D CB 1.458 42.279 40.800 0.035 0.000 1.551 236 D HN -0.302 nan 8.370 nan 0.000 0.574 237 K N 1.829 122.238 120.400 0.014 0.000 2.360 237 K HA -0.065 4.256 4.320 0.001 0.000 0.201 237 K C 0.715 177.319 176.600 0.007 0.000 1.046 237 K CA 0.931 57.222 56.287 0.006 0.000 0.945 237 K CB 0.074 32.577 32.500 0.005 0.000 0.750 237 K HN 0.621 nan 8.250 nan 0.000 0.464 238 E N 0.196 120.402 120.200 0.009 0.000 2.815 238 E HA 0.242 4.593 4.350 0.001 0.000 0.211 238 E C 0.391 176.998 176.600 0.012 0.000 1.004 238 E CA -0.329 56.077 56.400 0.009 0.000 1.173 238 E CB 0.124 29.827 29.700 0.005 0.000 1.163 238 E HN 0.042 nan 8.360 nan 0.000 0.449 239 G N 0.442 109.253 108.800 0.019 0.000 2.552 239 G HA2 0.356 4.317 3.960 0.001 0.000 0.318 239 G HA3 0.356 4.317 3.960 0.001 0.000 0.318 239 G C 0.707 175.629 174.900 0.037 0.000 1.240 239 G CA -0.041 45.075 45.100 0.027 0.000 1.002 239 G HN 0.094 nan 8.290 nan 0.000 0.493 240 T N -3.212 111.369 114.554 0.045 0.000 3.001 240 T HA 0.186 4.537 4.350 0.001 0.000 0.251 240 T C 0.500 175.251 174.700 0.085 0.000 1.040 240 T CA -0.001 62.131 62.100 0.054 0.000 0.985 240 T CB 0.214 69.109 68.868 0.045 0.000 1.011 240 T HN 0.209 nan 8.240 nan 0.000 0.509 241 V N 3.970 123.955 119.914 0.119 0.000 2.406 241 V HA 0.528 4.648 4.120 0.001 0.000 0.272 241 V C 0.771 176.993 176.094 0.213 0.000 1.043 241 V CA -0.437 61.984 62.300 0.202 0.000 0.915 241 V CB 0.524 32.484 31.823 0.230 0.000 0.988 241 V HN 0.708 nan 8.190 nan 0.000 0.466 242 T N 2.011 116.672 114.554 0.179 0.000 2.841 242 T HA 0.683 5.034 4.350 0.001 0.000 0.276 242 T C 1.177 175.962 174.700 0.142 0.000 1.003 242 T CA -0.054 62.105 62.100 0.099 0.000 0.995 242 T CB 1.918 70.825 68.868 0.065 0.000 1.260 242 T HN 0.550 nan 8.240 nan 0.000 0.581 243 A N -0.113 122.745 122.820 0.064 0.000 2.015 243 A HA 0.263 4.584 4.320 0.001 0.000 0.219 243 A C 2.254 179.900 177.584 0.104 0.000 1.163 243 A CA 1.528 53.617 52.037 0.086 0.000 0.646 243 A CB -1.490 17.531 19.000 0.035 0.000 0.806 243 A HN 1.061 nan 8.150 nan 0.000 0.448 244 G N 0.564 109.413 108.800 0.082 0.000 2.464 244 G HA2 -0.126 3.835 3.960 0.001 0.000 0.217 244 G HA3 -0.126 3.835 3.960 0.001 0.000 0.217 244 G C 0.982 175.939 174.900 0.095 0.000 1.138 244 G CA 0.974 46.114 45.100 0.067 0.000 0.793 244 G HN 0.761 nan 8.290 nan 0.000 0.539 245 N N -0.087 118.696 118.700 0.138 0.000 2.214 245 N HA 0.481 5.222 4.740 0.001 0.000 0.214 245 N C 0.209 175.857 175.510 0.230 0.000 1.132 245 N CA 0.174 53.331 53.050 0.178 0.000 0.856 245 N CB 0.586 39.179 38.487 0.176 0.000 1.020 245 N HN 0.252 nan 8.380 nan 0.000 0.509 246 A N -0.759 122.196 122.820 0.224 0.000 2.356 246 A HA 0.705 5.025 4.320 0.001 0.000 0.323 246 A C 0.307 177.924 177.584 0.054 0.000 1.119 246 A CA -0.665 51.476 52.037 0.173 0.000 0.790 246 A CB 1.243 20.476 19.000 0.389 0.000 1.273 246 A HN 0.189 nan 8.150 nan 0.000 0.452 247 S N -0.331 115.295 115.700 -0.123 0.000 2.650 247 S HA 0.537 5.008 4.470 0.001 0.000 0.251 247 S C 0.759 175.378 174.600 0.032 0.000 1.325 247 S CA 0.473 58.677 58.200 0.007 0.000 0.967 247 S CB 0.297 63.469 63.200 -0.048 0.000 1.000 247 S HN 1.452 nan 8.310 nan 0.000 0.584 248 G N -0.795 107.999 108.800 -0.010 0.000 3.211 248 G HA2 0.625 4.586 3.960 0.001 0.000 0.262 248 G HA3 0.625 4.586 3.960 0.001 0.000 0.262 248 G C -1.691 173.042 174.900 -0.279 0.000 1.352 248 G CA -0.893 44.091 45.100 -0.194 0.000 1.004 248 G HN 0.682 nan 8.290 nan 0.000 0.559 249 L N 0.756 121.761 121.223 -0.363 0.000 2.272 249 L HA 0.504 4.845 4.340 0.001 0.000 0.289 249 L C -0.500 176.245 176.870 -0.209 0.000 1.032 249 L CA -0.577 54.061 54.840 -0.337 0.000 0.810 249 L CB 1.348 42.975 42.059 -0.720 0.000 1.205 249 L HN 0.474 nan 8.230 nan 0.000 0.422 250 N N 1.155 119.800 118.700 -0.091 0.000 2.610 250 N HA 0.520 5.261 4.740 0.001 0.000 0.264 250 N C -1.845 173.689 175.510 0.040 0.000 1.348 250 N CA -0.960 52.057 53.050 -0.056 0.000 0.819 250 N CB 2.062 40.461 38.487 -0.147 0.000 1.521 250 N HN 0.412 nan 8.380 nan 0.000 0.497 251 D N -0.263 120.182 120.400 0.074 0.000 2.481 251 D HA 0.741 5.382 4.640 0.001 0.000 0.244 251 D C -0.240 176.148 176.300 0.147 0.000 1.057 251 D CA -0.265 53.810 54.000 0.125 0.000 0.848 251 D CB 1.967 42.913 40.800 0.243 0.000 1.388 251 D HN 0.667 nan 8.370 nan 0.000 0.475 252 G N -0.610 108.196 108.800 0.009 0.000 2.325 252 G HA2 0.607 4.568 3.960 0.001 0.000 0.297 252 G HA3 0.607 4.568 3.960 0.001 0.000 0.297 252 G C -1.965 172.855 174.900 -0.133 0.000 1.448 252 G CA -0.296 44.768 45.100 -0.059 0.000 0.838 252 G HN 0.601 nan 8.290 nan 0.000 0.579 253 A N -1.096 121.631 122.820 -0.155 0.000 2.515 253 A HA 1.142 5.462 4.320 0.001 0.000 0.296 253 A C -0.260 177.274 177.584 -0.083 0.000 1.094 253 A CA 0.156 52.118 52.037 -0.126 0.000 0.718 253 A CB 1.714 20.618 19.000 -0.161 0.000 1.307 253 A HN 2.615 nan 8.150 nan 0.000 0.408 254 A N -0.287 122.496 122.820 -0.062 0.000 2.566 254 A HA 0.974 5.295 4.320 0.001 0.000 0.297 254 A C -0.513 177.051 177.584 -0.033 0.000 1.059 254 A CA 0.184 52.200 52.037 -0.034 0.000 0.691 254 A CB 1.059 20.044 19.000 -0.026 0.000 1.282 254 A HN 2.672 nan 8.150 nan 0.000 0.401 255 A N 0.090 122.903 122.820 -0.013 0.000 2.588 255 A HA 1.076 5.397 4.320 0.001 0.000 0.290 255 A C -0.543 177.041 177.584 -0.001 0.000 1.136 255 A CA -0.109 51.914 52.037 -0.023 0.000 0.681 255 A CB 1.119 20.099 19.000 -0.033 0.000 1.282 255 A HN 2.685 nan 8.150 nan 0.000 0.421 256 A N -0.436 122.372 122.820 -0.021 0.000 2.549 256 A HA 0.694 5.015 4.320 0.001 0.000 0.297 256 A C -1.669 175.899 177.584 -0.028 0.000 1.061 256 A CA -0.403 51.625 52.037 -0.016 0.000 0.690 256 A CB 1.332 20.315 19.000 -0.029 0.000 1.287 256 A HN 1.848 nan 8.150 nan 0.000 0.402 257 L N 2.279 123.491 121.223 -0.018 0.000 2.272 257 L HA 0.714 5.055 4.340 0.001 0.000 0.289 257 L C -1.136 175.719 176.870 -0.025 0.000 1.032 257 L CA -0.136 54.691 54.840 -0.020 0.000 0.810 257 L CB 0.650 42.705 42.059 -0.007 0.000 1.205 257 L HN 0.597 nan 8.230 nan 0.000 0.422 258 L N 6.693 127.899 121.223 -0.029 0.000 2.334 258 L HA 0.756 5.096 4.340 0.001 0.000 0.276 258 L C 0.005 176.865 176.870 -0.017 0.000 1.014 258 L CA -0.548 54.276 54.840 -0.027 0.000 0.815 258 L CB 1.675 43.711 42.059 -0.037 0.000 1.268 258 L HN 0.794 nan 8.230 nan 0.000 0.428 259 M N 0.146 119.739 119.600 -0.012 0.000 3.008 259 M HA 0.530 5.011 4.480 0.001 0.000 0.271 259 M C -0.775 175.524 176.300 -0.001 0.000 1.265 259 M CA -0.779 54.518 55.300 -0.005 0.000 0.817 259 M CB 2.053 34.651 32.600 -0.003 0.000 1.638 259 M HN 0.460 nan 8.290 nan 0.000 0.479 260 S N -0.463 115.239 115.700 0.003 0.000 2.603 260 S HA 0.206 4.676 4.470 0.001 0.000 0.268 260 S C 0.642 175.246 174.600 0.006 0.000 1.317 260 S CA 0.268 58.472 58.200 0.006 0.000 1.012 260 S CB 1.414 64.619 63.200 0.008 0.000 0.926 260 S HN 0.933 nan 8.310 nan 0.000 0.539 261 E N 1.608 121.813 120.200 0.008 0.000 2.097 261 E HA -0.215 4.136 4.350 0.001 0.000 0.196 261 E C 2.137 178.742 176.600 0.008 0.000 1.000 261 E CA 1.471 57.876 56.400 0.009 0.000 0.804 261 E CB -0.546 29.162 29.700 0.013 0.000 0.740 261 E HN 0.870 nan 8.360 nan 0.000 0.454 262 A N 0.728 123.554 122.820 0.009 0.000 1.930 262 A HA -0.212 4.108 4.320 0.001 0.000 0.217 262 A C 2.004 179.593 177.584 0.007 0.000 1.175 262 A CA 1.596 53.638 52.037 0.009 0.000 0.627 262 A CB -0.438 18.567 19.000 0.009 0.000 0.815 262 A HN 0.399 nan 8.150 nan 0.000 0.443 263 E N -0.182 120.022 120.200 0.006 0.000 2.107 263 E HA -0.024 4.327 4.350 0.001 0.000 0.191 263 E C 2.108 178.711 176.600 0.005 0.000 0.982 263 E CA 0.786 57.190 56.400 0.006 0.000 0.809 263 E CB -0.228 29.475 29.700 0.005 0.000 0.756 263 E HN 0.523 nan 8.360 nan 0.000 0.459 264 A N 0.514 123.336 122.820 0.004 0.000 1.883 264 A HA -0.213 4.108 4.320 0.001 0.000 0.217 264 A C 2.363 179.950 177.584 0.004 0.000 1.186 264 A CA 1.907 53.946 52.037 0.003 0.000 0.624 264 A CB -0.929 18.072 19.000 0.001 0.000 0.822 264 A HN 0.315 nan 8.150 nan 0.000 0.444 265 S N -1.076 114.628 115.700 0.005 0.000 2.382 265 S HA -0.167 4.303 4.470 0.001 0.000 0.228 265 S C 2.159 176.763 174.600 0.006 0.000 1.027 265 S CA 1.435 59.638 58.200 0.006 0.000 0.991 265 S CB -0.323 62.881 63.200 0.007 0.000 0.823 265 S HN 0.600 nan 8.310 nan 0.000 0.469 266 R N 0.132 120.636 120.500 0.006 0.000 2.096 266 R HA 0.056 4.397 4.340 0.001 0.000 0.235 266 R C 2.032 178.336 176.300 0.006 0.000 1.127 266 R CA 1.296 57.400 56.100 0.006 0.000 0.968 266 R CB -0.091 30.212 30.300 0.006 0.000 0.861 266 R HN 0.318 nan 8.270 nan 0.000 0.440 267 R N -0.896 119.607 120.500 0.006 0.000 2.334 267 R HA 0.141 4.481 4.340 0.001 0.000 0.216 267 R C 0.921 177.225 176.300 0.006 0.000 0.905 267 R CA 0.491 56.594 56.100 0.006 0.000 1.064 267 R CB 0.795 31.098 30.300 0.006 0.000 1.046 267 R HN 0.339 nan 8.270 nan 0.000 0.508 268 G N 1.633 110.437 108.800 0.006 0.000 2.168 268 G HA2 -0.303 3.657 3.960 0.001 0.000 0.263 268 G HA3 -0.303 3.657 3.960 0.001 0.000 0.263 268 G C 0.257 175.161 174.900 0.007 0.000 0.977 268 G CA 0.008 45.112 45.100 0.007 0.000 0.659 268 G HN 0.288 nan 8.290 nan 0.000 0.533 269 I N 1.103 121.677 120.570 0.006 0.000 2.556 269 I HA 0.131 4.302 4.170 0.001 0.000 0.284 269 I C 0.371 176.489 176.117 0.003 0.000 1.114 269 I CA 0.003 61.306 61.300 0.005 0.000 1.418 269 I CB 0.848 38.850 38.000 0.004 0.000 1.394 269 I HN 0.034 nan 8.210 nan 0.000 0.552 270 Q N 7.689 127.490 119.800 0.002 0.000 2.456 270 Q HA 0.362 4.703 4.340 0.001 0.000 0.234 270 Q C -2.234 173.758 176.000 -0.013 0.000 1.061 270 Q CA -1.794 54.007 55.803 -0.002 0.000 0.896 270 Q CB 0.610 29.349 28.738 0.001 0.000 1.233 270 Q HN 0.354 nan 8.270 nan 0.000 0.506 271 P HA 0.083 nan 4.420 nan 0.000 0.272 271 P C 0.613 177.880 177.300 -0.055 0.000 1.230 271 P CA -0.583 62.497 63.100 -0.033 0.000 0.788 271 P CB 0.879 32.566 31.700 -0.022 0.000 0.949 272 L N 0.075 121.242 121.223 -0.094 0.000 2.376 272 L HA 0.264 4.605 4.340 0.001 0.000 0.219 272 L C 1.230 178.046 176.870 -0.091 0.000 1.133 272 L CA 1.295 56.048 54.840 -0.146 0.000 0.816 272 L CB -1.452 40.451 42.059 -0.261 0.000 0.933 272 L HN 0.730 nan 8.230 nan 0.000 0.449 273 G N -1.342 107.428 108.800 -0.051 0.000 2.316 273 G HA2 0.264 4.225 3.960 0.001 0.000 0.296 273 G HA3 0.264 4.225 3.960 0.001 0.000 0.296 273 G C -1.348 173.556 174.900 0.006 0.000 1.399 273 G CA -0.959 44.134 45.100 -0.012 0.000 0.833 273 G HN -0.045 nan 8.290 nan 0.000 0.565 274 R N -0.024 120.496 120.500 0.034 0.000 2.460 274 R HA 0.652 4.993 4.340 0.001 0.000 0.303 274 R C -0.258 176.070 176.300 0.046 0.000 0.968 274 R CA -0.875 55.247 56.100 0.038 0.000 0.889 274 R CB 0.923 31.253 30.300 0.050 0.000 1.123 274 R HN 0.413 nan 8.270 nan 0.000 0.455 275 I N 6.574 127.162 120.570 0.030 0.000 2.347 275 I HA -0.001 4.170 4.170 0.001 0.000 0.294 275 I C 1.524 177.655 176.117 0.022 0.000 1.090 275 I CA -0.231 61.088 61.300 0.032 0.000 1.314 275 I CB 1.419 39.434 38.000 0.026 0.000 1.423 275 I HN 0.632 nan 8.210 nan 0.000 0.503 276 V N 3.118 123.021 119.914 -0.017 0.000 2.725 276 V HA 0.129 4.250 4.120 0.001 0.000 0.247 276 V C 0.776 176.794 176.094 -0.127 0.000 1.058 276 V CA 1.200 63.441 62.300 -0.097 0.000 1.080 276 V CB 0.078 31.782 31.823 -0.199 0.000 0.713 276 V HN 0.764 nan 8.190 nan 0.000 0.465 277 S N -0.937 114.705 115.700 -0.097 0.000 2.636 277 S HA 0.680 5.151 4.470 0.001 0.000 0.268 277 S C -1.356 173.324 174.600 0.132 0.000 1.159 277 S CA -0.255 57.922 58.200 -0.038 0.000 0.815 277 S CB 1.614 64.691 63.200 -0.206 0.000 1.130 277 S HN 1.361 nan 8.310 nan 0.000 0.471 278 W N -0.164 121.098 121.300 -0.063 0.000 3.025 278 W HA 0.842 5.502 4.660 0.001 0.000 0.343 278 W C -1.697 174.813 176.519 -0.014 0.000 1.246 278 W CA -0.854 56.475 57.345 -0.026 0.000 1.178 278 W CB 0.922 30.376 29.460 -0.010 0.000 1.463 278 W HN 1.513 nan 8.180 nan 0.000 0.578 279 A N 1.013 123.728 122.820 -0.175 0.000 2.605 279 A HA 0.661 4.981 4.320 0.001 0.000 0.294 279 A C -1.684 175.862 177.584 -0.063 0.000 1.062 279 A CA -0.415 51.321 52.037 -0.501 0.000 0.682 279 A CB 1.608 20.408 19.000 -0.332 0.000 1.278 279 A HN 0.779 nan 8.150 nan 0.000 0.410 280 T N 0.440 114.930 114.554 -0.107 0.000 2.916 280 T HA 0.669 5.019 4.350 0.001 0.000 0.298 280 T C -1.255 173.457 174.700 0.021 0.000 1.031 280 T CA -0.234 61.921 62.100 0.091 0.000 0.993 280 T CB 1.023 70.061 68.868 0.284 0.000 1.045 280 T HN 1.287 nan 8.240 nan 0.000 0.454 281 V N 2.478 122.418 119.914 0.042 0.000 3.130 281 V HA 0.910 5.031 4.120 0.001 0.000 0.310 281 V C 0.723 176.845 176.094 0.048 0.000 1.158 281 V CA -0.990 61.325 62.300 0.027 0.000 1.029 281 V CB 2.176 34.003 31.823 0.006 0.000 1.057 281 V HN 1.034 nan 8.190 nan 0.000 0.436 282 G N 0.002 108.824 108.800 0.036 0.000 2.434 282 G HA2 0.807 4.767 3.960 0.001 0.000 0.330 282 G HA3 0.807 4.767 3.960 0.001 0.000 0.330 282 G C -0.739 174.181 174.900 0.032 0.000 1.155 282 G CA -0.220 44.904 45.100 0.040 0.000 0.917 282 G HN 1.398 nan 8.290 nan 0.000 0.493 283 V N -2.091 117.846 119.914 0.038 0.000 3.203 283 V HA 0.611 4.732 4.120 0.001 0.000 0.305 283 V C -0.844 175.270 176.094 0.032 0.000 1.361 283 V CA -1.241 61.080 62.300 0.035 0.000 1.066 283 V CB 1.615 33.467 31.823 0.049 0.000 1.085 283 V HN 0.607 nan 8.190 nan 0.000 0.456 284 D N 1.677 122.096 120.400 0.032 0.000 2.487 284 D HA 0.236 4.877 4.640 0.001 0.000 0.243 284 D C -1.652 174.694 176.300 0.076 0.000 1.154 284 D CA -1.159 52.866 54.000 0.041 0.000 0.876 284 D CB 1.839 42.658 40.800 0.031 0.000 1.161 284 D HN 0.417 nan 8.370 nan 0.000 0.478 285 P HA -0.138 nan 4.420 nan 0.000 0.218 285 P C 1.088 178.501 177.300 0.189 0.000 1.148 285 P CA 1.265 64.486 63.100 0.201 0.000 0.822 285 P CB 0.229 32.120 31.700 0.318 0.000 0.784 286 K N -0.345 120.115 120.400 0.100 0.000 2.113 286 K HA -0.079 4.242 4.320 0.001 0.000 0.208 286 K C 1.037 177.634 176.600 -0.005 0.000 1.047 286 K CA 1.674 57.933 56.287 -0.046 0.000 0.928 286 K CB -0.423 31.947 32.500 -0.218 0.000 0.716 286 K HN 0.178 nan 8.250 nan 0.000 0.446 287 V N -0.659 119.267 119.914 0.019 0.000 2.759 287 V HA 0.131 4.252 4.120 0.001 0.000 0.342 287 V C 0.897 177.026 176.094 0.058 0.000 1.228 287 V CA -0.517 61.799 62.300 0.026 0.000 1.302 287 V CB 0.135 31.978 31.823 0.034 0.000 1.496 287 V HN 0.140 nan 8.190 nan 0.000 0.628 288 M N 0.721 120.364 119.600 0.072 0.000 2.267 288 M HA 0.191 4.671 4.480 0.001 0.000 0.263 288 M C 1.776 178.133 176.300 0.095 0.000 1.063 288 M CA 2.416 57.773 55.300 0.095 0.000 1.090 288 M CB -1.445 31.228 32.600 0.121 0.000 1.392 288 M HN 0.313 nan 8.290 nan 0.000 0.422 289 G N 0.163 109.012 108.800 0.082 0.000 2.501 289 G HA2 -0.183 3.778 3.960 0.001 0.000 0.220 289 G HA3 -0.183 3.778 3.960 0.001 0.000 0.220 289 G C 1.536 176.476 174.900 0.066 0.000 1.114 289 G CA 1.302 46.454 45.100 0.087 0.000 0.757 289 G HN 0.721 nan 8.290 nan 0.000 0.559 290 T N -2.125 112.474 114.554 0.075 0.000 3.113 290 T HA 0.228 4.579 4.350 0.001 0.000 0.256 290 T C 2.347 177.089 174.700 0.071 0.000 1.131 290 T CA 0.995 63.142 62.100 0.078 0.000 1.074 290 T CB 0.096 69.043 68.868 0.131 0.000 0.944 290 T HN 0.184 nan 8.240 nan 0.000 0.516 291 G N 3.050 111.898 108.800 0.080 0.000 2.624 291 G HA2 -0.220 3.741 3.960 0.001 0.000 0.221 291 G HA3 -0.220 3.741 3.960 0.001 0.000 0.221 291 G C -0.544 174.404 174.900 0.079 0.000 1.169 291 G CA 1.036 46.185 45.100 0.082 0.000 0.771 291 G HN 0.478 nan 8.290 nan 0.000 0.598 292 P HA -0.018 nan 4.420 nan 0.000 0.221 292 P C 1.728 179.065 177.300 0.061 0.000 1.145 292 P CA 0.618 63.780 63.100 0.103 0.000 0.795 292 P CB -0.032 31.750 31.700 0.136 0.000 0.775 293 I N 0.761 121.343 120.570 0.019 0.000 2.110 293 I HA -0.115 4.056 4.170 0.001 0.000 0.236 293 I C -0.392 175.718 176.117 -0.012 0.000 1.068 293 I CA 1.686 62.968 61.300 -0.029 0.000 1.333 293 I CB -1.997 35.995 38.000 -0.014 0.000 1.054 293 I HN 0.017 nan 8.210 nan 0.000 0.402 294 P HA -0.133 nan 4.420 nan 0.000 0.218 294 P C 1.354 178.659 177.300 0.008 0.000 1.149 294 P CA 1.807 64.909 63.100 0.005 0.000 0.817 294 P CB -0.022 31.685 31.700 0.011 0.000 0.785 295 A N 0.527 123.366 122.820 0.031 0.000 1.858 295 A HA -0.150 4.171 4.320 0.001 0.000 0.216 295 A C 2.504 180.121 177.584 0.054 0.000 1.190 295 A CA 2.295 54.358 52.037 0.044 0.000 0.617 295 A CB -1.561 17.489 19.000 0.083 0.000 0.827 295 A HN 0.179 nan 8.150 nan 0.000 0.443 296 S N -0.489 115.263 115.700 0.088 0.000 2.382 296 S HA -0.126 4.344 4.470 0.001 0.000 0.228 296 S C 2.123 176.771 174.600 0.079 0.000 1.027 296 S CA 1.094 59.375 58.200 0.134 0.000 0.991 296 S CB -0.299 63.025 63.200 0.207 0.000 0.823 296 S HN 0.488 nan 8.310 nan 0.000 0.469 297 R N 1.228 121.741 120.500 0.022 0.000 2.066 297 R HA 0.036 4.377 4.340 0.001 0.000 0.232 297 R C 2.355 178.651 176.300 -0.007 0.000 1.131 297 R CA 1.089 57.193 56.100 0.007 0.000 0.955 297 R CB -0.497 29.794 30.300 -0.016 0.000 0.851 297 R HN 0.190 nan 8.270 nan 0.000 0.432 298 K N 1.211 121.594 120.400 -0.028 0.000 2.063 298 K HA -0.062 4.259 4.320 0.001 0.000 0.208 298 K C 1.861 178.404 176.600 -0.094 0.000 1.048 298 K CA 1.719 57.965 56.287 -0.069 0.000 0.928 298 K CB -0.457 31.986 32.500 -0.096 0.000 0.713 298 K HN 0.139 nan 8.250 nan 0.000 0.442 299 A N 0.434 123.213 122.820 -0.068 0.000 1.902 299 A HA -0.094 4.227 4.320 0.001 0.000 0.217 299 A C 2.252 179.780 177.584 -0.094 0.000 1.181 299 A CA 1.626 53.612 52.037 -0.085 0.000 0.623 299 A CB -0.653 18.347 19.000 -0.001 0.000 0.818 299 A HN 0.312 nan 8.150 nan 0.000 0.443 300 L N -0.876 120.342 121.223 -0.009 0.000 2.056 300 L HA -0.174 4.167 4.340 0.001 0.000 0.207 300 L C 2.638 179.497 176.870 -0.018 0.000 1.078 300 L CA 1.661 56.522 54.840 0.035 0.000 0.749 300 L CB -0.492 41.664 42.059 0.162 0.000 0.901 300 L HN 0.586 nan 8.230 nan 0.000 0.433 301 E N 0.572 120.757 120.200 -0.025 0.000 2.058 301 E HA -0.275 4.076 4.350 0.001 0.000 0.194 301 E C 2.358 178.904 176.600 -0.090 0.000 0.997 301 E CA 1.374 57.750 56.400 -0.040 0.000 0.801 301 E CB 0.055 29.730 29.700 -0.042 0.000 0.746 301 E HN 0.349 nan 8.360 nan 0.000 0.450 302 R N -0.522 119.896 120.500 -0.136 0.000 2.115 302 R HA -0.046 4.295 4.340 0.001 0.000 0.230 302 R C 2.149 178.318 176.300 -0.218 0.000 1.111 302 R CA 0.958 56.958 56.100 -0.168 0.000 0.976 302 R CB -0.090 30.086 30.300 -0.206 0.000 0.870 302 R HN 0.156 nan 8.270 nan 0.000 0.445 303 A N -0.257 122.362 122.820 -0.335 0.000 2.169 303 A HA 0.151 4.472 4.320 0.001 0.000 0.212 303 A C 1.387 178.703 177.584 -0.447 0.000 1.153 303 A CA 0.812 52.486 52.037 -0.606 0.000 0.756 303 A CB -0.101 18.124 19.000 -1.291 0.000 0.813 303 A HN 0.439 nan 8.150 nan 0.000 0.471 304 G N -2.508 106.192 108.800 -0.167 0.000 2.179 304 G HA2 -0.247 3.714 3.960 0.001 0.000 0.257 304 G HA3 -0.247 3.714 3.960 0.001 0.000 0.257 304 G C -0.252 174.789 174.900 0.235 0.000 1.010 304 G CA 0.431 45.545 45.100 0.023 0.000 0.736 304 G HN 0.375 nan 8.290 nan 0.000 0.513 305 W N 0.422 121.737 121.300 0.025 0.000 2.512 305 W HA 0.700 5.361 4.660 0.001 0.000 0.335 305 W C 0.629 177.170 176.519 0.036 0.000 1.088 305 W CA -1.704 55.661 57.345 0.034 0.000 1.236 305 W CB 0.888 30.375 29.460 0.045 0.000 1.307 305 W HN 0.036 nan 8.180 nan 0.000 0.567 306 K N 1.811 122.362 120.400 0.252 0.000 2.087 306 K HA 0.338 4.659 4.320 0.001 0.000 0.255 306 K C 1.205 177.908 176.600 0.171 0.000 0.988 306 K CA -0.723 55.660 56.287 0.160 0.000 0.915 306 K CB 1.448 34.005 32.500 0.094 0.000 1.043 306 K HN 0.289 nan 8.250 nan 0.000 0.457 307 I N 1.117 121.777 120.570 0.151 0.000 2.335 307 I HA -0.214 3.957 4.170 0.001 0.000 0.251 307 I C 2.000 178.216 176.117 0.165 0.000 1.129 307 I CA 1.529 62.944 61.300 0.192 0.000 1.402 307 I CB -0.313 37.774 38.000 0.145 0.000 1.069 307 I HN 0.915 nan 8.210 nan 0.000 0.424 308 G N -0.121 108.737 108.800 0.098 0.000 2.598 308 G HA2 -0.155 3.806 3.960 0.001 0.000 0.215 308 G HA3 -0.155 3.806 3.960 0.001 0.000 0.215 308 G C 1.094 175.992 174.900 -0.003 0.000 1.131 308 G CA 0.320 45.454 45.100 0.057 0.000 0.785 308 G HN 0.289 nan 8.290 nan 0.000 0.539 309 D N 0.400 120.777 120.400 -0.039 0.000 2.224 309 D HA 0.004 4.645 4.640 0.001 0.000 0.205 309 D C 1.347 177.504 176.300 -0.239 0.000 0.965 309 D CA 0.091 53.981 54.000 -0.183 0.000 0.852 309 D CB 0.040 40.643 40.800 -0.328 0.000 0.947 309 D HN 0.245 nan 8.370 nan 0.000 0.494 310 L N 1.528 122.683 121.223 -0.114 0.000 2.490 310 L HA -0.002 4.339 4.340 0.001 0.000 0.274 310 L C 1.190 178.000 176.870 -0.100 0.000 1.201 310 L CA 0.222 55.001 54.840 -0.102 0.000 0.869 310 L CB 0.692 42.776 42.059 0.042 0.000 1.123 310 L HN -0.148 nan 8.230 nan 0.000 0.484 311 D N 2.239 122.565 120.400 -0.122 0.000 2.423 311 D HA 0.241 4.882 4.640 0.001 0.000 0.208 311 D C -0.291 175.956 176.300 -0.089 0.000 1.068 311 D CA 0.434 54.376 54.000 -0.097 0.000 0.860 311 D CB 1.220 41.960 40.800 -0.101 0.000 0.992 311 D HN 0.136 nan 8.370 nan 0.000 0.504 312 L N 0.627 121.789 121.223 -0.102 0.000 2.549 312 L HA 0.317 4.658 4.340 0.001 0.000 0.259 312 L C -1.775 175.000 176.870 -0.159 0.000 0.934 312 L CA -0.636 54.134 54.840 -0.115 0.000 0.865 312 L CB 2.438 44.453 42.059 -0.074 0.000 1.352 312 L HN -0.339 nan 8.230 nan 0.000 0.410 313 V N 2.952 122.720 119.914 -0.244 0.000 2.709 313 V HA 0.632 4.752 4.120 0.001 0.000 0.308 313 V C -0.953 175.001 176.094 -0.233 0.000 1.062 313 V CA -0.686 61.401 62.300 -0.355 0.000 0.901 313 V CB 2.139 33.452 31.823 -0.851 0.000 1.003 313 V HN 0.632 nan 8.190 nan 0.000 0.425 314 E N 3.039 123.150 120.200 -0.148 0.000 2.149 314 E HA 0.617 4.968 4.350 0.001 0.000 0.255 314 E C -0.556 176.024 176.600 -0.033 0.000 0.888 314 E CA -0.262 56.101 56.400 -0.062 0.000 0.742 314 E CB 1.935 31.629 29.700 -0.009 0.000 1.164 314 E HN 0.788 nan 8.360 nan 0.000 0.422 315 A N 4.048 126.865 122.820 -0.006 0.000 2.267 315 A HA 0.318 4.639 4.320 0.001 0.000 0.315 315 A C 0.149 177.810 177.584 0.129 0.000 1.297 315 A CA -0.774 51.327 52.037 0.107 0.000 0.865 315 A CB 0.227 19.360 19.000 0.221 0.000 1.165 315 A HN 0.452 nan 8.150 nan 0.000 0.513 316 N N 1.896 120.665 118.700 0.114 0.000 2.412 316 N HA 0.035 4.776 4.740 0.001 0.000 0.254 316 N C -0.206 175.392 175.510 0.147 0.000 1.232 316 N CA 0.634 53.746 53.050 0.105 0.000 0.880 316 N CB 0.427 38.959 38.487 0.074 0.000 1.076 316 N HN 0.618 nan 8.380 nan 0.000 0.458 317 E N 2.585 122.880 120.200 0.159 0.000 2.069 317 E HA 0.239 4.590 4.350 0.001 0.000 0.254 317 E C 0.278 176.944 176.600 0.110 0.000 1.088 317 E CA -0.476 56.038 56.400 0.188 0.000 1.017 317 E CB 0.423 30.289 29.700 0.276 0.000 1.226 317 E HN 0.666 nan 8.360 nan 0.000 0.458 318 A N 2.943 125.802 122.820 0.066 0.000 1.898 318 A HA 0.002 4.323 4.320 0.001 0.000 0.216 318 A C 0.292 177.462 177.584 -0.691 0.000 1.181 318 A CA 1.053 52.955 52.037 -0.225 0.000 0.620 318 A CB 0.097 19.030 19.000 -0.112 0.000 0.819 318 A HN 0.424 nan 8.150 nan 0.000 0.442 319 F N -3.855 116.135 119.950 0.068 0.000 2.596 319 F HA 0.570 5.097 4.527 0.001 0.000 0.311 319 F C 1.016 176.821 175.800 0.009 0.000 1.116 319 F CA -0.491 57.537 58.000 0.047 0.000 0.957 319 F CB 1.544 40.542 39.000 -0.004 0.000 1.250 319 F HN 0.052 nan 8.300 nan 0.000 0.444 320 A N 1.879 124.823 122.820 0.205 0.000 1.948 320 A HA -0.094 4.227 4.320 0.001 0.000 0.220 320 A C 2.220 179.717 177.584 -0.144 0.000 1.177 320 A CA 2.370 54.416 52.037 0.014 0.000 0.636 320 A CB -0.994 18.109 19.000 0.172 0.000 0.815 320 A HN 0.936 nan 8.150 nan 0.000 0.449 321 A N 0.109 122.929 122.820 -0.000 0.000 1.877 321 A HA -0.201 4.119 4.320 0.001 0.000 0.216 321 A C 2.159 179.666 177.584 -0.128 0.000 1.186 321 A CA 2.152 54.156 52.037 -0.056 0.000 0.620 321 A CB -0.607 18.382 19.000 -0.018 0.000 0.822 321 A HN 0.742 nan 8.150 nan 0.000 0.443 322 Q N -0.304 119.463 119.800 -0.055 0.000 2.096 322 Q HA 0.258 4.599 4.340 0.001 0.000 0.197 322 Q C 1.903 177.802 176.000 -0.169 0.000 0.964 322 Q CA 1.867 57.620 55.803 -0.082 0.000 0.838 322 Q CB -0.932 27.836 28.738 0.051 0.000 0.906 322 Q HN 0.429 nan 8.270 nan 0.000 0.444 323 A N 0.683 123.392 122.820 -0.185 0.000 1.883 323 A HA -0.186 4.135 4.320 0.001 0.000 0.217 323 A C 2.360 179.665 177.584 -0.465 0.000 1.186 323 A CA 1.516 53.388 52.037 -0.275 0.000 0.624 323 A CB -1.250 17.547 19.000 -0.339 0.000 0.822 323 A HN 0.624 nan 8.150 nan 0.000 0.444 324 C N -1.103 117.803 119.300 -0.656 0.000 2.429 324 C HA 0.060 4.521 4.460 0.001 0.000 0.277 324 C C 3.324 178.043 174.990 -0.450 0.000 1.262 324 C CA 0.766 59.469 59.018 -0.524 0.000 1.733 324 C CB -1.392 26.100 27.740 -0.413 0.000 2.010 324 C HN 0.706 nan 8.230 nan 0.000 0.483 325 A N 0.216 122.688 122.820 -0.581 0.000 1.873 325 A HA -0.083 4.237 4.320 0.001 0.000 0.215 325 A C 2.305 179.337 177.584 -0.921 0.000 1.186 325 A CA 2.031 53.415 52.037 -1.089 0.000 0.616 325 A CB -0.802 17.468 19.000 -1.218 0.000 0.823 325 A HN 0.344 nan 8.150 nan 0.000 0.442 326 V N 1.059 120.679 119.914 -0.490 0.000 2.287 326 V HA -0.284 3.837 4.120 0.001 0.000 0.248 326 V C 2.332 178.246 176.094 -0.300 0.000 1.053 326 V CA 2.290 64.411 62.300 -0.299 0.000 1.027 326 V CB -1.011 30.764 31.823 -0.080 0.000 0.646 326 V HN 0.555 nan 8.190 nan 0.000 0.447 327 N N 0.015 118.616 118.700 -0.165 0.000 2.120 327 N HA -0.165 4.576 4.740 0.001 0.000 0.188 327 N C 1.834 177.245 175.510 -0.165 0.000 1.024 327 N CA 1.332 54.369 53.050 -0.022 0.000 0.852 327 N CB -0.326 38.253 38.487 0.153 0.000 1.003 327 N HN 0.473 nan 8.380 nan 0.000 0.424 328 K N 0.503 120.753 120.400 -0.250 0.000 2.155 328 K HA -0.085 4.235 4.320 0.001 0.000 0.203 328 K C 1.480 177.983 176.600 -0.162 0.000 1.052 328 K CA 0.945 57.119 56.287 -0.189 0.000 0.948 328 K CB 0.090 32.458 32.500 -0.220 0.000 0.728 328 K HN 0.144 nan 8.250 nan 0.000 0.448 329 D N 0.455 120.687 120.400 -0.281 0.000 2.120 329 D HA -0.107 4.534 4.640 0.001 0.000 0.202 329 D C 1.855 178.051 176.300 -0.173 0.000 0.972 329 D CA 0.918 54.863 54.000 -0.092 0.000 0.837 329 D CB 0.202 40.975 40.800 -0.046 0.000 0.989 329 D HN 0.191 nan 8.370 nan 0.000 0.469 330 L N -0.274 120.716 121.223 -0.389 0.000 2.240 330 L HA 0.125 4.466 4.340 0.001 0.000 0.211 330 L C 1.877 178.511 176.870 -0.394 0.000 1.106 330 L CA 0.785 55.301 54.840 -0.539 0.000 0.793 330 L CB -0.246 41.104 42.059 -1.183 0.000 0.927 330 L HN 0.263 nan 8.230 nan 0.000 0.446 331 G N -0.293 108.321 108.800 -0.310 0.000 2.148 331 G HA2 -0.260 3.700 3.960 0.001 0.000 0.254 331 G HA3 -0.260 3.700 3.960 0.001 0.000 0.254 331 G C -0.085 174.845 174.900 0.050 0.000 0.981 331 G CA 0.153 45.201 45.100 -0.087 0.000 0.670 331 G HN 0.378 nan 8.290 nan 0.000 0.528 332 W N 0.706 122.019 121.300 0.022 0.000 2.158 332 W HA 0.588 5.249 4.660 0.001 0.000 0.339 332 W C 0.066 176.599 176.519 0.024 0.000 1.294 332 W CA -2.326 55.034 57.345 0.025 0.000 1.231 332 W CB 0.269 29.747 29.460 0.031 0.000 1.143 332 W HN 0.108 nan 8.180 nan 0.000 0.571 333 D N 3.980 124.542 120.400 0.270 0.000 2.426 333 D HA -0.000 4.641 4.640 0.001 0.000 0.261 333 D C -1.179 175.202 176.300 0.135 0.000 1.245 333 D CA -1.552 52.539 54.000 0.152 0.000 0.917 333 D CB 1.024 41.873 40.800 0.082 0.000 1.123 333 D HN 0.102 nan 8.370 nan 0.000 0.508 334 P HA -0.165 nan 4.420 nan 0.000 0.220 334 P C 1.271 178.602 177.300 0.051 0.000 1.144 334 P CA 1.007 64.189 63.100 0.137 0.000 0.800 334 P CB 0.004 31.796 31.700 0.152 0.000 0.772 335 S N -0.177 115.541 115.700 0.030 0.000 2.474 335 S HA -0.093 4.377 4.470 0.001 0.000 0.235 335 S C 1.634 176.214 174.600 -0.034 0.000 0.997 335 S CA 0.626 58.823 58.200 -0.005 0.000 0.949 335 S CB -1.354 61.846 63.200 -0.001 0.000 0.766 335 S HN 0.363 nan 8.310 nan 0.000 0.517 336 I N -0.899 119.640 120.570 -0.052 0.000 3.928 336 I HA 0.445 4.616 4.170 0.001 0.000 0.335 336 I C -0.618 175.403 176.117 -0.160 0.000 1.325 336 I CA -0.468 60.776 61.300 -0.094 0.000 1.107 336 I CB 0.355 38.301 38.000 -0.091 0.000 1.014 336 I HN -0.004 nan 8.210 nan 0.000 0.400 337 V N 2.855 122.676 119.914 -0.154 0.000 2.435 337 V HA 0.323 4.443 4.120 0.001 0.000 0.290 337 V C -0.091 175.953 176.094 -0.084 0.000 1.030 337 V CA -0.609 61.577 62.300 -0.190 0.000 0.881 337 V CB 0.902 32.610 31.823 -0.191 0.000 0.983 337 V HN 0.518 nan 8.190 nan 0.000 0.445 338 N N 2.717 121.375 118.700 -0.070 0.000 2.669 338 N HA -0.151 4.589 4.740 0.001 0.000 0.266 338 N C 0.604 176.092 175.510 -0.037 0.000 1.024 338 N CA 0.820 53.855 53.050 -0.024 0.000 0.766 338 N CB -0.810 37.679 38.487 0.004 0.000 0.898 338 N HN 0.495 nan 8.380 nan 0.000 0.548 339 V N 0.031 119.922 119.914 -0.039 0.000 2.548 339 V HA -0.103 4.017 4.120 0.001 0.000 0.249 339 V C 1.262 177.323 176.094 -0.057 0.000 1.055 339 V CA 1.442 63.711 62.300 -0.053 0.000 1.065 339 V CB -0.001 31.789 31.823 -0.055 0.000 0.681 339 V HN 0.490 nan 8.190 nan 0.000 0.462 340 N N 0.684 119.367 118.700 -0.027 0.000 2.295 340 N HA 0.322 5.063 4.740 0.001 0.000 0.221 340 N C 0.538 176.096 175.510 0.080 0.000 1.129 340 N CA 0.891 53.914 53.050 -0.045 0.000 0.836 340 N CB 0.561 38.990 38.487 -0.097 0.000 1.040 340 N HN 0.511 nan 8.380 nan 0.000 0.494 341 G N -1.195 107.624 108.800 0.032 0.000 2.707 341 G HA2 0.130 4.090 3.960 0.001 0.000 0.686 341 G HA3 0.130 4.090 3.960 0.001 0.000 0.686 341 G C -0.166 174.769 174.900 0.058 0.000 1.315 341 G CA -0.597 44.522 45.100 0.031 0.000 0.832 341 G HN 0.479 nan 8.290 nan 0.000 0.573 342 G N -1.686 107.129 108.800 0.026 0.000 3.222 342 G HA2 0.842 4.802 3.960 0.001 0.000 0.263 342 G HA3 0.842 4.802 3.960 0.001 0.000 0.263 342 G C 1.121 176.059 174.900 0.063 0.000 1.312 342 G CA 0.943 46.075 45.100 0.053 0.000 0.934 342 G HN 2.017 nan 8.290 nan 0.000 0.577 343 A N -0.859 122.009 122.820 0.081 0.000 2.067 343 A HA 0.131 4.452 4.320 0.001 0.000 0.219 343 A C 2.237 179.911 177.584 0.150 0.000 1.158 343 A CA 0.966 53.058 52.037 0.092 0.000 0.661 343 A CB -0.519 18.529 19.000 0.080 0.000 0.801 343 A HN 0.486 nan 8.150 nan 0.000 0.452 344 I N -0.455 120.194 120.570 0.131 0.000 2.264 344 I HA -0.302 3.868 4.170 0.001 0.000 0.248 344 I C 2.810 178.979 176.117 0.086 0.000 1.111 344 I CA 1.228 62.607 61.300 0.132 0.000 1.382 344 I CB -0.122 37.947 38.000 0.115 0.000 1.060 344 I HN 0.378 nan 8.210 nan 0.000 0.418 345 A N 0.275 123.119 122.820 0.040 0.000 1.887 345 A HA 0.060 4.381 4.320 0.001 0.000 0.212 345 A C 2.166 179.785 177.584 0.059 0.000 1.198 345 A CA 0.893 52.908 52.037 -0.038 0.000 0.628 345 A CB -0.437 18.554 19.000 -0.015 0.000 0.847 345 A HN 0.306 nan 8.150 nan 0.000 0.449 346 I N -1.239 119.407 120.570 0.127 0.000 2.703 346 I HA 0.282 4.453 4.170 0.001 0.000 0.259 346 I C 1.230 177.468 176.117 0.202 0.000 1.151 346 I CA 1.102 62.459 61.300 0.096 0.000 1.470 346 I CB 0.054 38.028 38.000 -0.043 0.000 1.112 346 I HN 0.512 nan 8.210 nan 0.000 0.437 347 G N 0.021 108.973 108.800 0.254 0.000 2.497 347 G HA2 -0.172 3.789 3.960 0.001 0.000 0.686 347 G HA3 -0.172 3.789 3.960 0.001 0.000 0.686 347 G C -0.858 174.052 174.900 0.018 0.000 1.288 347 G CA -0.738 44.405 45.100 0.072 0.000 0.899 347 G HN 0.369 nan 8.290 nan 0.000 0.608 348 H N 1.155 120.155 119.070 -0.117 0.000 2.488 348 H HA 0.531 5.088 4.556 0.001 0.000 0.237 348 H C -2.342 172.935 175.328 -0.084 0.000 1.395 348 H CA -1.537 54.458 56.048 -0.087 0.000 1.491 348 H CB 1.654 31.353 29.762 -0.106 0.000 1.567 348 H HN 0.406 nan 8.280 nan 0.000 0.508 349 P HA 0.058 nan 4.420 nan 0.000 0.268 349 P C 1.103 178.438 177.300 0.058 0.000 1.541 349 P CA 0.040 63.160 63.100 0.032 0.000 1.093 349 P CB 0.441 32.135 31.700 -0.010 0.000 1.551 350 I N 2.539 123.209 120.570 0.167 0.000 2.093 350 I HA -0.341 3.830 4.170 0.001 0.000 0.239 350 I C 2.524 178.699 176.117 0.097 0.000 1.026 350 I CA 2.453 63.887 61.300 0.224 0.000 1.295 350 I CB -1.154 36.934 38.000 0.147 0.000 1.007 350 I HN 0.330 nan 8.210 nan 0.000 0.401 351 G N -0.395 108.436 108.800 0.052 0.000 2.422 351 G HA2 -0.091 3.870 3.960 0.001 0.000 0.218 351 G HA3 -0.091 3.870 3.960 0.001 0.000 0.218 351 G C 1.732 176.625 174.900 -0.012 0.000 1.140 351 G CA 0.710 45.824 45.100 0.023 0.000 0.775 351 G HN 0.546 nan 8.290 nan 0.000 0.545 352 A N 0.516 123.318 122.820 -0.029 0.000 2.067 352 A HA 0.204 4.525 4.320 0.001 0.000 0.217 352 A C 2.581 180.121 177.584 -0.074 0.000 1.156 352 A CA 1.666 53.671 52.037 -0.054 0.000 0.683 352 A CB -0.341 18.623 19.000 -0.060 0.000 0.808 352 A HN 0.246 nan 8.150 nan 0.000 0.455 353 S N -0.095 115.539 115.700 -0.110 0.000 2.374 353 S HA -0.157 4.314 4.470 0.001 0.000 0.227 353 S C 1.986 176.508 174.600 -0.129 0.000 1.037 353 S CA 1.460 59.537 58.200 -0.205 0.000 1.024 353 S CB -0.499 62.413 63.200 -0.479 0.000 0.861 353 S HN 0.773 nan 8.310 nan 0.000 0.456 354 G N 0.383 109.140 108.800 -0.072 0.000 2.448 354 G HA2 0.126 4.087 3.960 0.001 0.000 0.218 354 G HA3 0.126 4.087 3.960 0.001 0.000 0.218 354 G C 1.393 176.278 174.900 -0.024 0.000 1.135 354 G CA 0.709 45.790 45.100 -0.031 0.000 0.784 354 G HN 0.571 nan 8.290 nan 0.000 0.543 355 A N 0.230 123.028 122.820 -0.035 0.000 2.021 355 A HA 0.196 4.517 4.320 0.001 0.000 0.216 355 A C 2.316 179.892 177.584 -0.014 0.000 1.163 355 A CA 1.095 53.116 52.037 -0.026 0.000 0.676 355 A CB -0.265 18.713 19.000 -0.038 0.000 0.818 355 A HN 0.199 nan 8.150 nan 0.000 0.453 356 R N 1.014 121.494 120.500 -0.035 0.000 2.070 356 R HA -0.135 4.206 4.340 0.001 0.000 0.233 356 R C 2.024 178.319 176.300 -0.009 0.000 1.137 356 R CA 2.114 58.194 56.100 -0.033 0.000 0.945 356 R CB -0.760 29.496 30.300 -0.074 0.000 0.845 356 R HN 0.729 nan 8.270 nan 0.000 0.430 357 I N -0.942 119.617 120.570 -0.018 0.000 2.546 357 I HA -0.155 4.016 4.170 0.001 0.000 0.255 357 I C 2.199 178.335 176.117 0.032 0.000 1.163 357 I CA 0.939 62.244 61.300 0.009 0.000 1.457 357 I CB -0.410 37.590 38.000 -0.001 0.000 1.092 357 I HN 0.023 nan 8.210 nan 0.000 0.434 358 L N 2.082 123.320 121.223 0.026 0.000 2.046 358 L HA -0.182 4.158 4.340 0.001 0.000 0.208 358 L C 2.287 179.189 176.870 0.055 0.000 1.077 358 L CA 1.850 56.708 54.840 0.030 0.000 0.747 358 L CB -1.268 40.799 42.059 0.014 0.000 0.896 358 L HN 0.308 nan 8.230 nan 0.000 0.432 359 N N -1.136 117.618 118.700 0.091 0.000 2.069 359 N HA -0.193 4.548 4.740 0.001 0.000 0.191 359 N C 1.578 177.263 175.510 0.291 0.000 1.031 359 N CA 2.177 55.353 53.050 0.210 0.000 0.852 359 N CB -0.144 38.471 38.487 0.214 0.000 1.018 359 N HN 0.445 nan 8.380 nan 0.000 0.423 360 T N 2.055 116.728 114.554 0.197 0.000 2.720 360 T HA -0.139 4.212 4.350 0.001 0.000 0.268 360 T C 1.980 176.778 174.700 0.164 0.000 1.037 360 T CA 0.674 62.903 62.100 0.214 0.000 1.144 360 T CB -0.316 68.655 68.868 0.173 0.000 0.864 360 T HN 0.123 nan 8.240 nan 0.000 0.444 361 L N 0.834 122.115 121.223 0.096 0.000 1.994 361 L HA 0.038 4.379 4.340 0.001 0.000 0.208 361 L C 2.189 179.074 176.870 0.025 0.000 1.071 361 L CA 1.625 56.492 54.840 0.045 0.000 0.745 361 L CB -0.654 41.419 42.059 0.022 0.000 0.892 361 L HN 0.232 nan 8.230 nan 0.000 0.431 362 L N -1.750 119.467 121.223 -0.009 0.000 2.046 362 L HA -0.205 4.136 4.340 0.001 0.000 0.208 362 L C 2.355 179.105 176.870 -0.199 0.000 1.077 362 L CA 1.271 56.024 54.840 -0.144 0.000 0.747 362 L CB -0.503 41.392 42.059 -0.273 0.000 0.896 362 L HN 0.217 nan 8.230 nan 0.000 0.432 363 F N -0.111 119.855 119.950 0.027 0.000 2.293 363 F HA -0.128 4.400 4.527 0.001 0.000 0.297 363 F C 2.572 178.379 175.800 0.012 0.000 1.089 363 F CA 1.028 59.043 58.000 0.025 0.000 1.377 363 F CB -0.166 38.860 39.000 0.042 0.000 1.051 363 F HN 0.038 nan 8.300 nan 0.000 0.511 364 E N 0.259 120.558 120.200 0.164 0.000 2.152 364 E HA -0.144 4.207 4.350 0.001 0.000 0.192 364 E C 2.103 178.720 176.600 0.028 0.000 0.983 364 E CA 1.152 57.597 56.400 0.075 0.000 0.818 364 E CB -0.249 29.480 29.700 0.048 0.000 0.758 364 E HN 0.328 nan 8.360 nan 0.000 0.467 365 M N 0.003 119.609 119.600 0.009 0.000 2.117 365 M HA -0.146 4.335 4.480 0.001 0.000 0.262 365 M C 2.334 178.625 176.300 -0.015 0.000 1.065 365 M CA 1.517 56.808 55.300 -0.015 0.000 1.114 365 M CB -0.155 32.429 32.600 -0.027 0.000 1.361 365 M HN 0.008 nan 8.290 nan 0.000 0.408 366 K N 0.637 121.030 120.400 -0.013 0.000 2.025 366 K HA -0.203 4.118 4.320 0.001 0.000 0.207 366 K C 2.130 178.741 176.600 0.019 0.000 1.049 366 K CA 1.558 57.842 56.287 -0.005 0.000 0.933 366 K CB -0.124 32.372 32.500 -0.006 0.000 0.714 366 K HN 0.290 nan 8.250 nan 0.000 0.438 367 R N 1.159 121.683 120.500 0.040 0.000 2.115 367 R HA -0.123 4.218 4.340 0.001 0.000 0.230 367 R C 1.850 178.153 176.300 0.006 0.000 1.111 367 R CA 1.689 57.807 56.100 0.031 0.000 0.976 367 R CB -0.243 30.082 30.300 0.042 0.000 0.870 367 R HN 0.206 nan 8.270 nan 0.000 0.445 368 R N -0.531 119.968 120.500 -0.002 0.000 2.334 368 R HA 0.237 4.578 4.340 0.001 0.000 0.216 368 R C 0.685 176.974 176.300 -0.017 0.000 0.905 368 R CA 0.468 56.560 56.100 -0.014 0.000 1.064 368 R CB 0.187 30.474 30.300 -0.022 0.000 1.046 368 R HN 0.281 nan 8.270 nan 0.000 0.508 369 G N 0.810 109.601 108.800 -0.014 0.000 2.249 369 G HA2 -0.345 3.616 3.960 0.001 0.000 0.273 369 G HA3 -0.345 3.616 3.960 0.001 0.000 0.273 369 G C 0.342 175.225 174.900 -0.029 0.000 1.036 369 G CA 0.181 45.270 45.100 -0.019 0.000 0.824 369 G HN 0.726 nan 8.290 nan 0.000 0.504 370 A N -0.800 122.001 122.820 -0.033 0.000 2.466 370 A HA 0.633 4.954 4.320 0.001 0.000 0.238 370 A C 1.396 178.951 177.584 -0.049 0.000 1.074 370 A CA 0.924 52.933 52.037 -0.046 0.000 0.774 370 A CB 0.280 19.252 19.000 -0.048 0.000 1.015 370 A HN 0.492 nan 8.150 nan 0.000 0.498 371 R N 0.096 120.552 120.500 -0.073 0.000 2.167 371 R HA 0.112 4.453 4.340 0.001 0.000 0.201 371 R C -0.251 175.994 176.300 -0.092 0.000 1.024 371 R CA 0.714 56.769 56.100 -0.075 0.000 1.053 371 R CB 0.193 30.436 30.300 -0.096 0.000 0.987 371 R HN 0.696 nan 8.270 nan 0.000 0.493 372 K N 0.192 120.491 120.400 -0.169 0.000 2.443 372 K HA 0.497 4.817 4.320 0.001 0.000 0.252 372 K C -0.784 175.746 176.600 -0.116 0.000 0.933 372 K CA -0.514 55.612 56.287 -0.268 0.000 0.792 372 K CB 2.530 34.554 32.500 -0.793 0.000 1.185 372 K HN 0.078 nan 8.250 nan 0.000 0.425 373 G N 1.703 110.552 108.800 0.082 0.000 2.690 373 G HA2 0.670 4.631 3.960 0.001 0.000 0.293 373 G HA3 0.670 4.631 3.960 0.001 0.000 0.293 373 G C -2.071 172.945 174.900 0.194 0.000 1.399 373 G CA -0.664 44.487 45.100 0.086 0.000 0.890 373 G HN 0.478 nan 8.290 nan 0.000 0.485 374 L N 0.703 121.984 121.223 0.098 0.000 2.431 374 L HA 0.880 5.221 4.340 0.001 0.000 0.266 374 L C -0.318 176.579 176.870 0.044 0.000 0.978 374 L CA -0.807 54.108 54.840 0.124 0.000 0.822 374 L CB 2.020 44.189 42.059 0.184 0.000 1.310 374 L HN 0.887 nan 8.230 nan 0.000 0.409 375 A N 2.763 125.631 122.820 0.079 0.000 2.350 375 A HA 0.844 5.165 4.320 0.001 0.000 0.324 375 A C -0.627 177.022 177.584 0.109 0.000 1.118 375 A CA -0.376 51.700 52.037 0.065 0.000 0.783 375 A CB 1.859 20.892 19.000 0.055 0.000 1.236 375 A HN 0.673 nan 8.150 nan 0.000 0.457 376 T N 1.014 115.637 114.554 0.115 0.000 2.885 376 T HA 0.619 4.970 4.350 0.001 0.000 0.322 376 T C -1.941 172.841 174.700 0.137 0.000 1.387 376 T CA -0.319 61.872 62.100 0.151 0.000 1.041 376 T CB 0.554 69.554 68.868 0.220 0.000 1.287 376 T HN 0.681 nan 8.240 nan 0.000 0.491 377 L N 2.866 124.171 121.223 0.136 0.000 2.466 377 L HA 0.669 5.009 4.340 0.001 0.000 0.258 377 L C 0.380 177.336 176.870 0.143 0.000 0.973 377 L CA -0.916 54.005 54.840 0.135 0.000 0.826 377 L CB 1.515 43.644 42.059 0.117 0.000 1.372 377 L HN 0.981 nan 8.230 nan 0.000 0.409 378 C N 0.546 119.936 119.300 0.150 0.000 2.595 378 C HA 0.815 5.276 4.460 0.001 0.000 0.384 378 C C 0.129 175.211 174.990 0.153 0.000 1.289 378 C CA -0.822 58.282 59.018 0.144 0.000 2.372 378 C CB -0.220 27.606 27.740 0.142 0.000 2.593 378 C HN 0.647 nan 8.230 nan 0.000 0.639 379 I N 1.834 122.488 120.570 0.140 0.000 2.534 379 I HA 0.466 4.637 4.170 0.001 0.000 0.288 379 I C 0.923 177.122 176.117 0.137 0.000 1.077 379 I CA -0.246 61.137 61.300 0.139 0.000 1.051 379 I CB 1.615 39.694 38.000 0.131 0.000 1.234 379 I HN 1.054 nan 8.210 nan 0.000 0.425 380 G N 2.810 111.691 108.800 0.134 0.000 2.491 380 G HA2 0.386 4.347 3.960 0.001 0.000 0.238 380 G HA3 0.386 4.347 3.960 0.001 0.000 0.238 380 G C 0.963 175.959 174.900 0.159 0.000 1.277 380 G CA 0.639 45.822 45.100 0.139 0.000 0.851 380 G HN 1.204 nan 8.290 nan 0.000 0.573 381 G N -0.272 108.650 108.800 0.203 0.000 2.176 381 G HA2 0.252 4.213 3.960 0.001 0.000 0.253 381 G HA3 0.252 4.213 3.960 0.001 0.000 0.253 381 G C 1.151 176.183 174.900 0.221 0.000 0.979 381 G CA 0.860 46.137 45.100 0.295 0.000 0.641 381 G HN 2.763 nan 8.290 nan 0.000 0.530 382 G N -0.981 107.917 108.800 0.163 0.000 2.756 382 G HA2 0.162 4.123 3.960 0.001 0.000 0.272 382 G HA3 0.162 4.123 3.960 0.001 0.000 0.272 382 G C -0.171 174.789 174.900 0.099 0.000 1.128 382 G CA 0.797 45.967 45.100 0.116 0.000 1.145 382 G HN 1.267 nan 8.290 nan 0.000 0.545 383 M N -0.742 118.923 119.600 0.108 0.000 2.755 383 M HA 0.752 5.233 4.480 0.001 0.000 0.273 383 M C 0.288 176.652 176.300 0.107 0.000 1.278 383 M CA -0.352 55.009 55.300 0.101 0.000 0.819 383 M CB 2.467 35.133 32.600 0.110 0.000 1.694 383 M HN 0.811 nan 8.290 nan 0.000 0.460 384 G N 0.104 108.967 108.800 0.104 0.000 2.659 384 G HA2 0.718 4.679 3.960 0.001 0.000 0.296 384 G HA3 0.718 4.679 3.960 0.001 0.000 0.296 384 G C -2.327 172.650 174.900 0.128 0.000 1.369 384 G CA -0.630 44.538 45.100 0.113 0.000 0.937 384 G HN 0.581 nan 8.290 nan 0.000 0.485 385 V N -0.147 119.855 119.914 0.146 0.000 2.925 385 V HA 0.940 5.060 4.120 0.001 0.000 0.311 385 V C -0.660 175.540 176.094 0.176 0.000 1.104 385 V CA 0.034 62.443 62.300 0.182 0.000 0.954 385 V CB 1.786 33.727 31.823 0.197 0.000 1.022 385 V HN 1.859 nan 8.190 nan 0.000 0.427 386 A N 6.350 129.291 122.820 0.201 0.000 2.587 386 A HA 0.942 5.263 4.320 0.001 0.000 0.293 386 A C -1.220 176.489 177.584 0.209 0.000 1.087 386 A CA -0.578 51.568 52.037 0.181 0.000 0.692 386 A CB 2.121 21.216 19.000 0.158 0.000 1.291 386 A HN 1.297 nan 8.150 nan 0.000 0.407 387 M N 1.123 120.827 119.600 0.173 0.000 2.378 387 M HA 0.547 5.027 4.480 0.001 0.000 0.289 387 M C -1.911 174.462 176.300 0.122 0.000 1.136 387 M CA -0.239 55.161 55.300 0.167 0.000 0.917 387 M CB 1.698 34.386 32.600 0.146 0.000 1.669 387 M HN 0.725 nan 8.290 nan 0.000 0.461 388 C N 5.113 124.451 119.300 0.064 0.000 2.319 388 C HA 0.726 5.187 4.460 0.001 0.000 0.335 388 C C -0.478 174.552 174.990 0.068 0.000 1.274 388 C CA -0.768 58.274 59.018 0.040 0.000 1.806 388 C CB 0.482 28.034 27.740 -0.313 0.000 2.329 388 C HN 0.614 nan 8.230 nan 0.000 0.524 389 I N 2.845 123.547 120.570 0.220 0.000 2.498 389 I HA 0.448 4.619 4.170 0.001 0.000 0.290 389 I C -0.127 176.179 176.117 0.316 0.000 1.032 389 I CA -0.276 61.139 61.300 0.190 0.000 1.073 389 I CB 1.616 39.683 38.000 0.111 0.000 1.251 389 I HN 0.738 nan 8.210 nan 0.000 0.426 390 E N 3.703 124.058 120.200 0.259 0.000 2.187 390 E HA 0.418 4.768 4.350 0.001 0.000 0.268 390 E C -0.299 176.364 176.600 0.106 0.000 0.896 390 E CA -0.475 56.068 56.400 0.238 0.000 0.766 390 E CB 1.536 31.430 29.700 0.323 0.000 1.142 390 E HN 0.662 nan 8.360 nan 0.000 0.408 391 S N 4.694 120.427 115.700 0.056 0.000 2.572 391 S HA 0.167 4.638 4.470 0.001 0.000 0.279 391 S C 0.556 175.171 174.600 0.024 0.000 1.341 391 S CA -0.819 57.393 58.200 0.019 0.000 1.043 391 S CB 0.471 63.669 63.200 -0.003 0.000 0.887 391 S HN 0.465 nan 8.310 nan 0.000 0.516 392 L N 0.000 121.231 121.223 0.013 0.000 2.949 392 L HA 0.000 4.341 4.340 0.001 0.000 0.249 392 L CA 0.000 54.849 54.840 0.015 0.000 0.813 392 L CB 0.000 42.064 42.059 0.008 0.000 0.961 392 L HN 0.000 nan 8.230 nan 0.000 0.502