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 2woe_1_A DATA FIRST_RESID 3 DATA SEQUENCE GPSVHDRALG AFLGLAVGDA LGATVEFMTK GEIAQQYGIH RKMTGGGWLR DATA SEQUENCE LKPGQITDDT EMSLALGRSL AAKGTLDVAD ICEEFALWLK SRPVNVGNTC DATA SEQUENCE RRGIRRYMHE GTTTAPYSEG DAGNGAAMRC LPAALATLGH PADLEPWVLA DATA SEQUENCE QARITHNHPL SDAACLTLGR MVHHLIGGRG MKACREEANR LVHQHRDFHF DATA SEQUENCE EPYKGQSSAY IVDTMQTVLH YYFVTDTFKS CLIQTVNQGG DADTTGALAG DATA SEQUENCE MLAGATYGVD DIPSGWLSKL DMKVEREIRR QVDALLALAG L 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.397 3.960 -0.938 0.000 0.244 3 G C 0.000 174.921 174.900 0.035 0.000 0.946 3 G CA 0.000 45.123 45.100 0.038 0.000 0.502 4 P HA 0.490 nan 4.420 nan 0.000 0.285 4 P C 0.563 177.884 177.300 0.035 0.000 1.259 4 P CA -0.322 62.802 63.100 0.040 0.000 0.794 4 P CB 1.530 33.257 31.700 0.046 0.000 0.940 5 S N 1.254 116.979 115.700 0.041 0.000 2.587 5 S HA 0.021 3.928 4.470 -0.938 0.000 0.260 5 S C 1.427 176.057 174.600 0.050 0.000 1.353 5 S CA -0.454 57.773 58.200 0.045 0.000 0.995 5 S CB 0.123 63.358 63.200 0.058 0.000 0.912 5 S HN 0.211 nan 8.310 nan 0.000 0.568 6 V N 1.597 121.538 119.914 0.046 0.000 2.282 6 V HA -0.225 3.332 4.120 -0.938 0.000 0.249 6 V C 2.606 178.730 176.094 0.050 0.000 1.057 6 V CA 2.425 64.745 62.300 0.033 0.000 1.032 6 V CB -1.411 30.426 31.823 0.024 0.000 0.645 6 V HN 1.026 nan 8.190 nan 0.000 0.447 7 H N -0.037 119.034 119.070 0.003 0.000 2.353 7 H HA -0.163 3.832 4.556 -0.935 0.000 0.300 7 H C 2.150 177.486 175.328 0.013 0.000 1.090 7 H CA 1.995 58.049 56.048 0.009 0.000 1.327 7 H CB -0.033 29.732 29.762 0.006 0.000 1.383 7 H HN 0.428 nan 8.280 nan 0.000 0.508 8 D N 0.146 120.625 120.400 0.132 0.000 2.144 8 D HA -0.098 3.979 4.640 -0.938 0.000 0.199 8 D C 2.506 178.815 176.300 0.015 0.000 0.984 8 D CA 0.746 54.791 54.000 0.075 0.000 0.834 8 D CB -0.142 40.700 40.800 0.070 0.000 0.955 8 D HN 0.390 nan 8.370 nan 0.000 0.465 9 R N 0.403 120.909 120.500 0.009 0.000 2.073 9 R HA 0.079 3.856 4.340 -0.938 0.000 0.229 9 R C 2.271 178.559 176.300 -0.020 0.000 1.120 9 R CA 1.094 57.195 56.100 0.001 0.000 0.967 9 R CB -0.202 30.098 30.300 -0.001 0.000 0.862 9 R HN 0.085 nan 8.270 nan 0.000 0.436 10 A N 1.245 124.031 122.820 -0.056 0.000 1.873 10 A HA -0.152 3.605 4.320 -0.938 0.000 0.215 10 A C 2.065 179.619 177.584 -0.051 0.000 1.186 10 A CA 1.032 53.028 52.037 -0.067 0.000 0.616 10 A CB -0.497 18.438 19.000 -0.108 0.000 0.823 10 A HN 0.187 nan 8.150 nan 0.000 0.442 11 L N 0.161 121.302 121.223 -0.137 0.000 2.046 11 L HA -0.040 3.738 4.340 -0.938 0.000 0.208 11 L C 2.489 179.361 176.870 0.003 0.000 1.077 11 L CA 2.175 56.964 54.840 -0.084 0.000 0.747 11 L CB -1.092 40.886 42.059 -0.135 0.000 0.896 11 L HN 0.343 nan 8.230 nan 0.000 0.432 12 G N -1.251 107.546 108.800 -0.005 0.000 2.440 12 G HA2 -0.290 3.108 3.960 -0.938 0.000 0.218 12 G HA3 -0.290 3.108 3.960 -0.938 0.000 0.218 12 G C 1.612 176.555 174.900 0.073 0.000 1.154 12 G CA 0.895 45.999 45.100 0.007 0.000 0.767 12 G HN 0.614 nan 8.290 nan 0.000 0.552 13 A N -0.043 122.817 122.820 0.067 0.000 1.902 13 A HA 0.123 3.881 4.320 -0.938 0.000 0.217 13 A C 2.249 179.899 177.584 0.110 0.000 1.181 13 A CA 1.349 53.424 52.037 0.063 0.000 0.623 13 A CB -0.493 18.496 19.000 -0.017 0.000 0.818 13 A HN 0.402 nan 8.150 nan 0.000 0.443 14 F N -0.303 119.639 119.950 -0.013 0.000 2.219 14 F HA 0.025 3.993 4.527 -0.932 0.000 0.294 14 F C 2.032 177.835 175.800 0.005 0.000 1.086 14 F CA 0.611 58.604 58.000 -0.012 0.000 1.330 14 F CB 0.077 39.060 39.000 -0.029 0.000 1.047 14 F HN 0.095 nan 8.300 nan 0.000 0.495 15 L N -0.506 120.845 121.223 0.214 0.000 2.141 15 L HA -0.124 3.654 4.340 -0.938 0.000 0.209 15 L C 2.723 179.684 176.870 0.151 0.000 1.094 15 L CA 1.148 56.055 54.840 0.111 0.000 0.763 15 L CB -1.271 40.805 42.059 0.028 0.000 0.908 15 L HN 0.226 nan 8.230 nan 0.000 0.437 16 G N 0.342 109.252 108.800 0.183 0.000 2.418 16 G HA2 -0.291 3.106 3.960 -0.938 0.000 0.217 16 G HA3 -0.291 3.106 3.960 -0.938 0.000 0.217 16 G C 1.644 176.726 174.900 0.304 0.000 1.158 16 G CA 0.809 46.129 45.100 0.366 0.000 0.771 16 G HN 0.276 nan 8.290 nan 0.000 0.545 17 L N 0.815 122.156 121.223 0.197 0.000 2.012 17 L HA -0.031 3.747 4.340 -0.938 0.000 0.210 17 L C 3.154 180.096 176.870 0.120 0.000 1.073 17 L CA 2.178 57.087 54.840 0.116 0.000 0.748 17 L CB -0.290 41.811 42.059 0.069 0.000 0.891 17 L HN 0.251 nan 8.230 nan 0.000 0.431 18 A N -1.152 121.764 122.820 0.160 0.000 1.898 18 A HA -0.134 3.623 4.320 -0.938 0.000 0.216 18 A C 2.223 179.855 177.584 0.080 0.000 1.181 18 A CA 1.766 53.868 52.037 0.109 0.000 0.620 18 A CB -0.996 18.061 19.000 0.095 0.000 0.819 18 A HN 0.321 nan 8.150 nan 0.000 0.442 19 V N -0.029 119.959 119.914 0.123 0.000 2.295 19 V HA -0.198 3.359 4.120 -0.938 0.000 0.246 19 V C 2.823 178.923 176.094 0.010 0.000 1.049 19 V CA 2.030 64.398 62.300 0.114 0.000 1.024 19 V CB -1.398 30.594 31.823 0.283 0.000 0.648 19 V HN 0.615 nan 8.190 nan 0.000 0.447 20 G N -0.400 108.427 108.800 0.045 0.000 2.446 20 G HA2 -0.354 3.044 3.960 -0.938 0.000 0.217 20 G HA3 -0.354 3.044 3.960 -0.938 0.000 0.217 20 G C 1.381 176.236 174.900 -0.074 0.000 1.168 20 G CA 1.142 46.204 45.100 -0.062 0.000 0.771 20 G HN 0.538 nan 8.290 nan 0.000 0.551 21 D N 1.219 121.602 120.400 -0.029 0.000 2.103 21 D HA -0.104 3.973 4.640 -0.938 0.000 0.190 21 D C 2.758 179.038 176.300 -0.034 0.000 0.997 21 D CA 1.792 55.779 54.000 -0.022 0.000 0.833 21 D CB -0.634 40.170 40.800 0.007 0.000 0.961 21 D HN 0.239 nan 8.370 nan 0.000 0.447 22 A N -0.007 122.791 122.820 -0.037 0.000 1.902 22 A HA -0.103 3.654 4.320 -0.938 0.000 0.217 22 A C 2.321 179.855 177.584 -0.084 0.000 1.181 22 A CA 1.514 53.523 52.037 -0.048 0.000 0.623 22 A CB -0.867 18.111 19.000 -0.036 0.000 0.818 22 A HN 0.380 nan 8.150 nan 0.000 0.443 23 L N -0.135 120.992 121.223 -0.160 0.000 2.027 23 L HA 0.041 3.818 4.340 -0.938 0.000 0.206 23 L C 2.429 179.270 176.870 -0.047 0.000 1.074 23 L CA 2.273 56.986 54.840 -0.212 0.000 0.745 23 L CB -0.943 40.791 42.059 -0.542 0.000 0.898 23 L HN 0.297 nan 8.230 nan 0.000 0.433 24 G N -1.350 107.393 108.800 -0.095 0.000 2.422 24 G HA2 -0.185 3.212 3.960 -0.938 0.000 0.218 24 G HA3 -0.185 3.212 3.960 -0.938 0.000 0.218 24 G C 1.603 176.466 174.900 -0.062 0.000 1.140 24 G CA 0.634 45.688 45.100 -0.076 0.000 0.775 24 G HN 0.605 nan 8.290 nan 0.000 0.545 25 A N 0.500 123.297 122.820 -0.038 0.000 1.978 25 A HA -0.058 3.699 4.320 -0.938 0.000 0.220 25 A C 2.482 180.061 177.584 -0.007 0.000 1.170 25 A CA 2.385 54.423 52.037 0.002 0.000 0.636 25 A CB -0.924 18.069 19.000 -0.012 0.000 0.810 25 A HN 0.280 nan 8.150 nan 0.000 0.448 26 T N -0.385 114.112 114.554 -0.096 0.000 2.759 26 T HA -0.104 3.683 4.350 -0.938 0.000 0.269 26 T C 1.553 176.165 174.700 -0.147 0.000 1.042 26 T CA 1.954 63.957 62.100 -0.162 0.000 1.140 26 T CB -0.392 68.252 68.868 -0.373 0.000 0.864 26 T HN 0.757 nan 8.240 nan 0.000 0.455 27 V N -0.858 118.929 119.914 -0.211 0.000 3.376 27 V HA 0.399 3.956 4.120 -0.938 0.000 0.313 27 V C 0.406 176.512 176.094 0.020 0.000 1.393 27 V CA -0.591 61.643 62.300 -0.110 0.000 1.125 27 V CB -0.464 31.216 31.823 -0.239 0.000 1.037 27 V HN 0.294 nan 8.190 nan 0.000 0.440 28 E N 0.727 120.985 120.200 0.097 0.000 2.452 28 E HA 0.115 3.902 4.350 -0.938 0.000 0.261 28 E C 0.020 176.710 176.600 0.149 0.000 0.987 28 E CA 0.205 56.653 56.400 0.080 0.000 0.926 28 E CB 0.044 29.889 29.700 0.241 0.000 0.934 28 E HN 0.464 nan 8.360 nan 0.000 0.452 29 F N 0.282 120.212 119.950 -0.033 0.000 2.914 29 F HA -0.293 3.671 4.527 -0.937 0.000 0.304 29 F C 0.291 176.059 175.800 -0.053 0.000 0.712 29 F CA 0.408 58.337 58.000 -0.119 0.000 1.211 29 F CB -1.426 37.369 39.000 -0.342 0.000 1.515 29 F HN 0.486 nan 8.300 nan 0.000 0.350 30 M N 0.303 119.965 119.600 0.104 0.000 2.472 30 M HA 0.384 4.301 4.480 -0.938 0.000 0.331 30 M C 0.760 177.096 176.300 0.060 0.000 1.170 30 M CA -0.402 54.952 55.300 0.090 0.000 1.009 30 M CB 1.690 34.352 32.600 0.103 0.000 1.672 30 M HN 0.150 nan 8.290 nan 0.000 0.453 31 T N -1.536 113.054 114.554 0.060 0.000 2.868 31 T HA 0.210 3.998 4.350 -0.938 0.000 0.292 31 T C 0.960 175.698 174.700 0.064 0.000 1.028 31 T CA -0.665 61.468 62.100 0.054 0.000 1.059 31 T CB 1.224 70.121 68.868 0.048 0.000 0.991 31 T HN 0.833 nan 8.240 nan 0.000 0.531 32 K N 1.496 121.936 120.400 0.068 0.000 2.077 32 K HA -0.169 3.589 4.320 -0.938 0.000 0.213 32 K C 2.325 178.971 176.600 0.077 0.000 1.051 32 K CA 2.049 58.383 56.287 0.079 0.000 0.929 32 K CB -1.117 31.439 32.500 0.095 0.000 0.715 32 K HN 0.841 nan 8.250 nan 0.000 0.451 33 G N 0.386 109.225 108.800 0.066 0.000 2.408 33 G HA2 -0.236 3.161 3.960 -0.938 0.000 0.217 33 G HA3 -0.236 3.161 3.960 -0.938 0.000 0.217 33 G C 1.121 176.057 174.900 0.061 0.000 1.150 33 G CA 0.869 46.005 45.100 0.059 0.000 0.776 33 G HN 0.454 nan 8.290 nan 0.000 0.542 34 E N -0.033 120.204 120.200 0.062 0.000 2.106 34 E HA -0.039 3.748 4.350 -0.938 0.000 0.192 34 E C 2.463 179.118 176.600 0.091 0.000 0.984 34 E CA 0.502 56.939 56.400 0.062 0.000 0.806 34 E CB -0.116 29.621 29.700 0.062 0.000 0.750 34 E HN 0.490 nan 8.360 nan 0.000 0.458 35 I N 1.068 121.713 120.570 0.125 0.000 2.179 35 I HA -0.274 3.334 4.170 -0.938 0.000 0.242 35 I C 2.555 178.790 176.117 0.196 0.000 1.088 35 I CA 0.972 62.396 61.300 0.207 0.000 1.357 35 I CB -0.345 37.748 38.000 0.155 0.000 1.051 35 I HN 0.091 nan 8.210 nan 0.000 0.409 36 A N 0.010 122.908 122.820 0.129 0.000 1.908 36 A HA -0.309 3.449 4.320 -0.938 0.000 0.218 36 A C 2.333 179.967 177.584 0.083 0.000 1.181 36 A CA 2.026 54.128 52.037 0.108 0.000 0.627 36 A CB -0.762 18.287 19.000 0.082 0.000 0.818 36 A HN 0.524 nan 8.150 nan 0.000 0.445 37 Q N -1.183 118.653 119.800 0.059 0.000 2.079 37 Q HA -0.224 3.553 4.340 -0.938 0.000 0.200 37 Q C 2.315 178.311 176.000 -0.007 0.000 0.974 37 Q CA 1.765 57.584 55.803 0.026 0.000 0.840 37 Q CB -0.112 28.636 28.738 0.017 0.000 0.898 37 Q HN 0.836 nan 8.270 nan 0.000 0.430 38 Q N -1.304 118.474 119.800 -0.035 0.000 2.123 38 Q HA -0.123 3.654 4.340 -0.938 0.000 0.196 38 Q C 0.932 176.764 176.000 -0.281 0.000 0.958 38 Q CA 1.098 56.782 55.803 -0.198 0.000 0.841 38 Q CB 0.250 28.798 28.738 -0.315 0.000 0.915 38 Q HN 0.429 nan 8.270 nan 0.000 0.455 39 Y N -1.715 118.617 120.300 0.052 0.000 2.498 39 Y HA 0.268 4.255 4.550 -0.937 0.000 0.259 39 Y C 1.523 177.465 175.900 0.070 0.000 1.086 39 Y CA 0.530 58.675 58.100 0.075 0.000 1.287 39 Y CB 0.925 39.453 38.460 0.114 0.000 1.146 39 Y HN 0.323 nan 8.280 nan 0.000 0.523 40 G N 1.379 110.294 108.800 0.192 0.000 5.356 40 G HA2 -0.326 3.072 3.960 -0.938 0.000 0.309 40 G HA3 -0.326 3.072 3.960 -0.938 0.000 0.309 40 G C 0.049 175.035 174.900 0.144 0.000 1.451 40 G CA 0.314 45.496 45.100 0.136 0.000 0.978 40 G HN 0.146 nan 8.290 nan 0.000 0.771 41 I N 1.248 121.907 120.570 0.149 0.000 2.468 41 I HA 0.354 3.961 4.170 -0.938 0.000 0.285 41 I C -0.259 175.934 176.117 0.126 0.000 1.039 41 I CA -0.892 60.479 61.300 0.119 0.000 1.074 41 I CB 1.952 39.995 38.000 0.073 0.000 1.228 41 I HN 0.516 nan 8.210 nan 0.000 0.436 42 H N 7.625 126.683 119.070 -0.019 0.000 2.955 42 H HA 0.269 4.262 4.556 -0.938 0.000 0.290 42 H C 0.451 175.714 175.328 -0.110 0.000 1.047 42 H CA 0.144 56.078 56.048 -0.190 0.000 1.484 42 H CB 0.476 29.959 29.762 -0.466 0.000 1.501 42 H HN 0.600 nan 8.280 nan 0.000 0.521 43 R N 3.371 123.578 120.500 -0.488 0.000 2.508 43 R HA 0.189 3.966 4.340 -0.938 0.000 0.420 43 R C -1.082 175.225 176.300 0.012 0.000 0.866 43 R CA -0.682 55.295 56.100 -0.205 0.000 1.103 43 R CB 0.063 30.397 30.300 0.058 0.000 1.657 43 R HN 0.537 nan 8.270 nan 0.000 0.562 44 K N 0.353 120.607 120.400 -0.243 0.000 2.536 44 K HA 0.417 4.175 4.320 -0.938 0.000 0.269 44 K C -0.530 175.994 176.600 -0.127 0.000 0.965 44 K CA -1.115 55.175 56.287 0.005 0.000 0.860 44 K CB 1.409 33.983 32.500 0.123 0.000 1.423 44 K HN -0.179 nan 8.250 nan 0.000 0.438 45 M N 3.150 122.734 119.600 -0.026 0.000 2.618 45 M HA 0.069 3.986 4.480 -0.938 0.000 0.322 45 M C 0.253 176.581 176.300 0.047 0.000 1.471 45 M CA 0.236 55.522 55.300 -0.024 0.000 1.450 45 M CB -0.380 32.224 32.600 0.008 0.000 1.444 45 M HN 0.910 nan 8.290 nan 0.000 0.471 46 T N -1.849 112.754 114.554 0.083 0.000 3.044 46 T HA 0.430 4.217 4.350 -0.938 0.000 0.260 46 T C 1.111 175.860 174.700 0.082 0.000 1.019 46 T CA 0.174 62.336 62.100 0.104 0.000 0.921 46 T CB 0.242 69.212 68.868 0.169 0.000 1.053 46 T HN 0.779 nan 8.240 nan 0.000 0.533 47 G N 1.493 110.324 108.800 0.051 0.000 2.566 47 G HA2 0.171 3.569 3.960 -0.938 0.000 0.280 47 G HA3 0.171 3.569 3.960 -0.938 0.000 0.280 47 G C 0.761 175.679 174.900 0.029 0.000 1.225 47 G CA 0.329 45.442 45.100 0.023 0.000 0.966 47 G HN 1.782 nan 8.290 nan 0.000 0.560 48 G N -1.255 107.557 108.800 0.020 0.000 2.547 48 G HA2 0.407 3.805 3.960 -0.938 0.000 0.271 48 G HA3 0.407 3.805 3.960 -0.938 0.000 0.271 48 G C 1.481 176.391 174.900 0.018 0.000 1.209 48 G CA 1.718 46.837 45.100 0.032 0.000 0.959 48 G HN 3.327 nan 8.290 nan 0.000 0.563 49 G N -1.752 107.093 108.800 0.074 0.000 2.697 49 G HA2 0.001 3.398 3.960 -0.938 0.000 0.240 49 G HA3 0.001 3.398 3.960 -0.938 0.000 0.240 49 G C 0.997 175.971 174.900 0.123 0.000 1.346 49 G CA 1.471 46.643 45.100 0.120 0.000 0.887 49 G HN 2.470 nan 8.290 nan 0.000 0.569 50 W N -0.652 120.683 121.300 0.058 0.000 2.425 50 W HA 0.150 4.246 4.660 -0.939 0.000 0.277 50 W C 1.629 178.165 176.519 0.029 0.000 1.231 50 W CA 1.322 58.691 57.345 0.040 0.000 1.248 50 W CB -0.749 28.739 29.460 0.047 0.000 1.117 50 W HN 0.364 nan 8.180 nan 0.000 0.568 51 L N 1.512 122.263 121.223 -0.787 0.000 2.558 51 L HA 0.149 3.926 4.340 -0.938 0.000 0.225 51 L C 1.012 177.693 176.870 -0.315 0.000 1.128 51 L CA 0.333 54.726 54.840 -0.744 0.000 0.868 51 L CB -0.538 41.033 42.059 -0.813 0.000 1.006 51 L HN -0.133 nan 8.230 nan 0.000 0.454 52 R N 0.368 120.761 120.500 -0.177 0.000 3.267 52 R HA -0.158 3.619 4.340 -0.938 0.000 0.254 52 R C -0.425 175.825 176.300 -0.083 0.000 0.993 52 R CA 0.293 56.342 56.100 -0.086 0.000 0.670 52 R CB -2.618 27.644 30.300 -0.064 0.000 1.125 52 R HN 0.333 nan 8.270 nan 0.000 0.434 53 L N 0.889 122.061 121.223 -0.085 0.000 2.453 53 L HA 0.246 4.023 4.340 -0.938 0.000 0.261 53 L C 1.137 177.988 176.870 -0.031 0.000 1.179 53 L CA -0.260 54.539 54.840 -0.068 0.000 0.813 53 L CB 0.462 42.478 42.059 -0.072 0.000 1.110 53 L HN 0.077 nan 8.230 nan 0.000 0.466 54 K N 1.479 121.866 120.400 -0.023 0.000 2.202 54 K HA 0.244 4.001 4.320 -0.938 0.000 0.264 54 K C -2.313 174.288 176.600 0.002 0.000 1.010 54 K CA -1.561 54.723 56.287 -0.006 0.000 0.940 54 K CB 0.240 32.738 32.500 -0.004 0.000 0.983 54 K HN 0.250 nan 8.250 nan 0.000 0.475 55 P HA -0.085 nan 4.420 nan 0.000 0.261 55 P C 0.437 177.747 177.300 0.017 0.000 1.183 55 P CA 0.993 64.107 63.100 0.023 0.000 0.761 55 P CB 0.385 32.106 31.700 0.035 0.000 0.785 56 G N 1.800 110.605 108.800 0.009 0.000 2.179 56 G HA2 -0.303 3.094 3.960 -0.938 0.000 0.260 56 G HA3 -0.303 3.094 3.960 -0.938 0.000 0.260 56 G C 0.226 175.127 174.900 0.003 0.000 0.977 56 G CA -0.062 45.042 45.100 0.008 0.000 0.641 56 G HN 0.664 nan 8.290 nan 0.000 0.533 57 Q N 0.584 120.382 119.800 -0.003 0.000 2.313 57 Q HA 0.487 4.265 4.340 -0.938 0.000 0.266 57 Q C 1.025 177.022 176.000 -0.004 0.000 0.989 57 Q CA -0.593 55.208 55.803 -0.004 0.000 0.890 57 Q CB 0.320 29.049 28.738 -0.015 0.000 1.200 57 Q HN 0.751 nan 8.270 nan 0.000 0.396 58 I N 1.080 121.657 120.570 0.010 0.000 2.970 58 I HA 0.532 4.139 4.170 -0.938 0.000 0.310 58 I C 0.436 176.572 176.117 0.032 0.000 1.010 58 I CA -0.228 61.084 61.300 0.021 0.000 1.228 58 I CB 1.161 39.181 38.000 0.033 0.000 1.433 58 I HN 0.735 nan 8.210 nan 0.000 0.573 59 T N -1.400 113.182 114.554 0.046 0.000 2.572 59 T HA 0.335 4.123 4.350 -0.938 0.000 0.244 59 T C 0.647 175.417 174.700 0.117 0.000 0.860 59 T CA 0.308 62.454 62.100 0.078 0.000 1.125 59 T CB 0.070 68.975 68.868 0.062 0.000 1.491 59 T HN 0.734 nan 8.240 nan 0.000 0.532 60 D N 0.227 120.720 120.400 0.155 0.000 2.269 60 D HA -0.060 4.017 4.640 -0.938 0.000 0.208 60 D C 1.045 177.303 176.300 -0.070 0.000 0.963 60 D CA 1.077 55.163 54.000 0.143 0.000 0.864 60 D CB -0.854 40.122 40.800 0.292 0.000 0.936 60 D HN 0.620 nan 8.370 nan 0.000 0.505 61 D N 0.456 120.838 120.400 -0.030 0.000 2.104 61 D HA -0.141 3.936 4.640 -0.938 0.000 0.194 61 D C 1.870 178.131 176.300 -0.064 0.000 0.994 61 D CA 2.390 56.349 54.000 -0.068 0.000 0.830 61 D CB -0.387 40.391 40.800 -0.036 0.000 0.959 61 D HN 0.230 nan 8.370 nan 0.000 0.452 62 T N 0.266 114.816 114.554 -0.006 0.000 2.851 62 T HA -0.054 3.734 4.350 -0.938 0.000 0.262 62 T C 1.705 176.413 174.700 0.013 0.000 1.043 62 T CA 0.828 62.959 62.100 0.053 0.000 1.140 62 T CB -0.225 68.688 68.868 0.076 0.000 0.872 62 T HN 0.208 nan 8.240 nan 0.000 0.446 63 E N 1.068 121.242 120.200 -0.042 0.000 2.077 63 E HA -0.034 3.753 4.350 -0.938 0.000 0.193 63 E C 2.227 178.585 176.600 -0.402 0.000 0.989 63 E CA 0.989 57.324 56.400 -0.109 0.000 0.800 63 E CB -0.212 29.550 29.700 0.104 0.000 0.746 63 E HN 0.453 nan 8.360 nan 0.000 0.452 64 M N 0.401 119.624 119.600 -0.628 0.000 2.175 64 M HA -0.107 3.810 4.480 -0.938 0.000 0.264 64 M C 2.413 178.569 176.300 -0.240 0.000 1.063 64 M CA 0.914 55.778 55.300 -0.726 0.000 1.119 64 M CB -0.070 31.991 32.600 -0.898 0.000 1.377 64 M HN -0.008 nan 8.290 nan 0.000 0.415 65 S N 1.157 116.777 115.700 -0.133 0.000 2.370 65 S HA -0.099 3.808 4.470 -0.938 0.000 0.226 65 S C 1.868 176.564 174.600 0.159 0.000 1.033 65 S CA 1.175 59.376 58.200 0.002 0.000 1.011 65 S CB -0.402 62.798 63.200 -0.001 0.000 0.852 65 S HN 0.405 nan 8.310 nan 0.000 0.457 66 L N 0.900 122.221 121.223 0.163 0.000 2.093 66 L HA -0.089 3.688 4.340 -0.938 0.000 0.208 66 L C 2.745 179.677 176.870 0.103 0.000 1.085 66 L CA 1.033 55.969 54.840 0.159 0.000 0.755 66 L CB -0.634 41.466 42.059 0.068 0.000 0.904 66 L HN 0.325 nan 8.230 nan 0.000 0.435 67 A N 0.022 122.881 122.820 0.066 0.000 1.902 67 A HA -0.215 3.542 4.320 -0.938 0.000 0.217 67 A C 2.181 179.828 177.584 0.106 0.000 1.181 67 A CA 1.608 53.715 52.037 0.117 0.000 0.623 67 A CB -0.592 18.519 19.000 0.186 0.000 0.818 67 A HN 0.321 nan 8.150 nan 0.000 0.443 68 L N 0.109 121.424 121.223 0.154 0.000 2.005 68 L HA 0.031 3.809 4.340 -0.938 0.000 0.207 68 L C 2.381 179.263 176.870 0.021 0.000 1.072 68 L CA 2.516 57.383 54.840 0.046 0.000 0.744 68 L CB -1.237 40.889 42.059 0.112 0.000 0.895 68 L HN 0.270 nan 8.230 nan 0.000 0.433 69 G N -0.828 108.027 108.800 0.091 0.000 2.432 69 G HA2 -0.318 3.080 3.960 -0.938 0.000 0.219 69 G HA3 -0.318 3.080 3.960 -0.938 0.000 0.219 69 G C 1.804 176.752 174.900 0.080 0.000 1.135 69 G CA 0.796 45.968 45.100 0.121 0.000 0.767 69 G HN 0.443 nan 8.290 nan 0.000 0.550 70 R N 0.252 120.789 120.500 0.062 0.000 2.091 70 R HA -0.089 3.688 4.340 -0.938 0.000 0.238 70 R C 2.724 179.025 176.300 0.002 0.000 1.136 70 R CA 1.839 57.960 56.100 0.034 0.000 0.959 70 R CB -0.444 29.878 30.300 0.038 0.000 0.856 70 R HN 0.363 nan 8.270 nan 0.000 0.437 71 S N 0.165 115.845 115.700 -0.034 0.000 2.355 71 S HA -0.061 3.847 4.470 -0.938 0.000 0.222 71 S C 1.987 176.540 174.600 -0.078 0.000 1.031 71 S CA 1.028 59.179 58.200 -0.082 0.000 0.993 71 S CB -0.194 62.908 63.200 -0.162 0.000 0.859 71 S HN 0.362 nan 8.310 nan 0.000 0.453 72 L N 1.055 122.241 121.223 -0.063 0.000 2.042 72 L HA -0.116 3.661 4.340 -0.938 0.000 0.210 72 L C 2.959 179.842 176.870 0.022 0.000 1.076 72 L CA 1.415 56.233 54.840 -0.037 0.000 0.749 72 L CB -0.715 41.365 42.059 0.035 0.000 0.893 72 L HN 0.433 nan 8.230 nan 0.000 0.432 73 A N -0.214 122.629 122.820 0.039 0.000 1.873 73 A HA -0.101 3.656 4.320 -0.938 0.000 0.215 73 A C 2.521 180.121 177.584 0.026 0.000 1.186 73 A CA 1.544 53.611 52.037 0.049 0.000 0.616 73 A CB -0.691 18.341 19.000 0.053 0.000 0.823 73 A HN 0.389 nan 8.150 nan 0.000 0.442 74 A N -0.556 122.269 122.820 0.008 0.000 1.902 74 A HA -0.115 3.642 4.320 -0.938 0.000 0.217 74 A C 2.001 179.580 177.584 -0.009 0.000 1.181 74 A CA 1.785 53.822 52.037 -0.001 0.000 0.623 74 A CB -0.228 18.767 19.000 -0.009 0.000 0.818 74 A HN 0.320 nan 8.150 nan 0.000 0.443 75 K N -1.770 118.614 120.400 -0.026 0.000 2.356 75 K HA 0.158 3.915 4.320 -0.938 0.000 0.195 75 K C 1.240 177.829 176.600 -0.018 0.000 1.037 75 K CA 0.765 57.029 56.287 -0.038 0.000 1.014 75 K CB -0.323 32.128 32.500 -0.082 0.000 0.815 75 K HN 0.787 nan 8.250 nan 0.000 0.507 76 G N 1.761 110.567 108.800 0.009 0.000 2.179 76 G HA2 -0.271 3.126 3.960 -0.938 0.000 0.257 76 G HA3 -0.271 3.126 3.960 -0.938 0.000 0.257 76 G C 0.229 175.184 174.900 0.092 0.000 1.010 76 G CA 1.258 46.393 45.100 0.059 0.000 0.736 76 G HN 0.466 nan 8.290 nan 0.000 0.513 77 T N -2.055 112.496 114.554 -0.006 0.000 2.686 77 T HA 0.474 4.261 4.350 -0.938 0.000 0.308 77 T C -1.190 173.163 174.700 -0.577 0.000 1.667 77 T CA -0.004 62.026 62.100 -0.118 0.000 0.987 77 T CB 0.808 69.664 68.868 -0.020 0.000 1.652 77 T HN 1.203 nan 8.240 nan 0.000 0.496 78 L N 3.120 123.664 121.223 -1.132 0.000 2.369 78 L HA 0.569 4.346 4.340 -0.938 0.000 0.279 78 L C -0.682 175.882 176.870 -0.509 0.000 1.108 78 L CA 0.322 54.522 54.840 -1.068 0.000 0.852 78 L CB 0.389 41.509 42.059 -1.566 0.000 1.169 78 L HN 0.562 nan 8.230 nan 0.000 0.452 79 D N 3.859 124.033 120.400 -0.377 0.000 2.420 79 D HA 0.068 4.145 4.640 -0.938 0.000 0.255 79 D C 0.572 176.725 176.300 -0.246 0.000 1.185 79 D CA -0.253 53.600 54.000 -0.244 0.000 0.904 79 D CB 1.665 42.356 40.800 -0.182 0.000 1.102 79 D HN 0.348 nan 8.370 nan 0.000 0.534 80 V N 4.103 123.886 119.914 -0.219 0.000 2.427 80 V HA -0.152 3.405 4.120 -0.938 0.000 0.248 80 V C 2.102 178.048 176.094 -0.246 0.000 1.051 80 V CA 2.541 64.706 62.300 -0.225 0.000 1.048 80 V CB -0.241 31.490 31.823 -0.153 0.000 0.666 80 V HN 0.623 nan 8.190 nan 0.000 0.456 81 A N -0.513 122.206 122.820 -0.169 0.000 1.933 81 A HA -0.277 3.481 4.320 -0.938 0.000 0.218 81 A C 1.978 179.440 177.584 -0.203 0.000 1.175 81 A CA 2.193 54.142 52.037 -0.147 0.000 0.628 81 A CB -0.824 18.176 19.000 -0.000 0.000 0.814 81 A HN 0.679 nan 8.150 nan 0.000 0.444 82 D N -0.228 120.066 120.400 -0.176 0.000 2.117 82 D HA -0.109 3.968 4.640 -0.938 0.000 0.197 82 D C 1.728 177.870 176.300 -0.263 0.000 0.987 82 D CA 1.307 55.206 54.000 -0.168 0.000 0.829 82 D CB -0.209 40.508 40.800 -0.138 0.000 0.961 82 D HN 0.492 nan 8.370 nan 0.000 0.460 83 I N -0.097 120.250 120.570 -0.372 0.000 2.208 83 I HA -0.333 3.274 4.170 -0.938 0.000 0.245 83 I C 2.391 178.043 176.117 -0.774 0.000 1.097 83 I CA 0.631 61.572 61.300 -0.597 0.000 1.363 83 I CB -0.317 37.295 38.000 -0.648 0.000 1.051 83 I HN 0.235 nan 8.210 nan 0.000 0.413 84 C N 0.535 119.439 119.300 -0.661 0.000 2.413 84 C HA -0.128 3.769 4.460 -0.938 0.000 0.277 84 C C 2.756 177.476 174.990 -0.451 0.000 1.265 84 C CA 0.657 59.228 59.018 -0.745 0.000 1.752 84 C CB -0.969 25.860 27.740 -1.519 0.000 1.998 84 C HN 0.486 nan 8.230 nan 0.000 0.489 85 E N 0.858 120.886 120.200 -0.288 0.000 2.051 85 E HA -0.142 3.645 4.350 -0.938 0.000 0.192 85 E C 2.158 178.786 176.600 0.047 0.000 0.991 85 E CA 1.070 57.470 56.400 -0.001 0.000 0.799 85 E CB -0.484 29.232 29.700 0.028 0.000 0.748 85 E HN 0.631 nan 8.360 nan 0.000 0.449 86 E N 0.142 120.326 120.200 -0.025 0.000 2.077 86 E HA -0.141 3.646 4.350 -0.938 0.000 0.193 86 E C 2.021 178.794 176.600 0.288 0.000 0.989 86 E CA 0.598 57.044 56.400 0.076 0.000 0.800 86 E CB -0.321 29.371 29.700 -0.014 0.000 0.746 86 E HN 0.233 nan 8.360 nan 0.000 0.452 87 F N 0.971 120.965 119.950 0.072 0.000 2.134 87 F HA -0.068 3.895 4.527 -0.939 0.000 0.299 87 F C 2.472 178.442 175.800 0.284 0.000 1.097 87 F CA 0.580 58.683 58.000 0.172 0.000 1.264 87 F CB -1.401 37.645 39.000 0.077 0.000 1.001 87 F HN -0.026 nan 8.300 nan 0.000 0.479 88 A N 0.413 123.461 122.820 0.380 0.000 1.877 88 A HA -0.155 3.602 4.320 -0.938 0.000 0.216 88 A C 2.383 180.104 177.584 0.229 0.000 1.186 88 A CA 1.465 53.680 52.037 0.296 0.000 0.620 88 A CB -1.163 18.016 19.000 0.297 0.000 0.822 88 A HN 0.352 nan 8.150 nan 0.000 0.443 89 L N -2.440 118.915 121.223 0.219 0.000 2.042 89 L HA -0.225 3.553 4.340 -0.938 0.000 0.210 89 L C 2.527 179.515 176.870 0.197 0.000 1.076 89 L CA 1.761 56.704 54.840 0.171 0.000 0.749 89 L CB -0.519 41.632 42.059 0.153 0.000 0.893 89 L HN 0.787 nan 8.230 nan 0.000 0.432 90 W N 0.770 122.132 121.300 0.103 0.000 2.354 90 W HA -0.260 3.843 4.660 -0.928 0.000 0.315 90 W C 2.305 178.860 176.519 0.060 0.000 1.206 90 W CA 1.455 58.850 57.345 0.083 0.000 1.290 90 W CB -0.392 29.129 29.460 0.101 0.000 1.152 90 W HN 0.023 nan 8.180 nan 0.000 0.489 91 L N 1.808 122.982 121.223 -0.082 0.000 2.079 91 L HA -0.171 3.607 4.340 -0.938 0.000 0.210 91 L C 2.188 178.895 176.870 -0.272 0.000 1.081 91 L CA 2.099 56.724 54.840 -0.360 0.000 0.752 91 L CB -0.878 41.161 42.059 -0.033 0.000 0.896 91 L HN -0.040 nan 8.230 nan 0.000 0.433 92 K N -0.925 119.411 120.400 -0.107 0.000 2.439 92 K HA -0.009 3.748 4.320 -0.938 0.000 0.197 92 K C 1.772 178.312 176.600 -0.100 0.000 1.041 92 K CA 0.937 57.181 56.287 -0.073 0.000 0.970 92 K CB -0.132 32.367 32.500 -0.001 0.000 0.773 92 K HN 0.533 nan 8.250 nan 0.000 0.479 93 S N 0.737 116.344 115.700 -0.155 0.000 2.650 93 S HA 0.005 3.912 4.470 -0.938 0.000 0.219 93 S C 0.527 175.032 174.600 -0.159 0.000 0.960 93 S CA -0.256 57.870 58.200 -0.123 0.000 0.925 93 S CB -0.226 62.927 63.200 -0.078 0.000 0.775 93 S HN 0.324 nan 8.310 nan 0.000 0.525 94 R N 0.993 121.369 120.500 -0.207 0.000 3.209 94 R HA -0.085 3.692 4.340 -0.938 0.000 0.252 94 R C -2.479 173.697 176.300 -0.206 0.000 0.958 94 R CA 0.440 56.431 56.100 -0.182 0.000 0.651 94 R CB -1.720 28.516 30.300 -0.107 0.000 1.142 94 R HN 0.432 nan 8.270 nan 0.000 0.441 95 P HA -0.024 nan 4.420 nan 0.000 0.272 95 P C 0.822 178.043 177.300 -0.132 0.000 1.223 95 P CA -0.273 62.669 63.100 -0.262 0.000 0.784 95 P CB 1.124 32.490 31.700 -0.557 0.000 0.923 96 V N 0.767 120.650 119.914 -0.050 0.000 2.469 96 V HA -0.155 3.402 4.120 -0.938 0.000 0.251 96 V C 0.647 176.702 176.094 -0.065 0.000 1.064 96 V CA 2.189 64.446 62.300 -0.071 0.000 1.066 96 V CB -0.881 30.897 31.823 -0.074 0.000 0.667 96 V HN 0.734 nan 8.190 nan 0.000 0.461 97 N N -1.730 116.983 118.700 0.021 0.000 2.367 97 N HA 0.468 4.645 4.740 -0.938 0.000 0.278 97 N C -1.623 173.997 175.510 0.183 0.000 1.117 97 N CA 0.196 53.308 53.050 0.103 0.000 0.867 97 N CB 2.352 40.934 38.487 0.158 0.000 1.649 97 N HN 0.012 nan 8.380 nan 0.000 0.479 98 V N 1.250 121.272 119.914 0.180 0.000 2.841 98 V HA 0.908 4.465 4.120 -0.938 0.000 0.310 98 V C 0.123 176.349 176.094 0.219 0.000 1.090 98 V CA -0.288 62.160 62.300 0.246 0.000 0.930 98 V CB 1.425 33.299 31.823 0.085 0.000 1.014 98 V HN 0.734 nan 8.190 nan 0.000 0.425 99 G N 3.551 112.488 108.800 0.230 0.000 2.483 99 G HA2 0.171 3.569 3.960 -0.938 0.000 0.248 99 G HA3 0.171 3.569 3.960 -0.938 0.000 0.248 99 G C 0.614 175.597 174.900 0.138 0.000 1.248 99 G CA -0.167 45.041 45.100 0.180 0.000 0.838 99 G HN 0.858 nan 8.290 nan 0.000 0.566 100 N N 0.877 119.641 118.700 0.106 0.000 2.104 100 N HA -0.125 4.052 4.740 -0.938 0.000 0.190 100 N C 2.301 177.829 175.510 0.030 0.000 1.024 100 N CA 1.795 54.881 53.050 0.060 0.000 0.853 100 N CB -0.075 38.436 38.487 0.040 0.000 1.008 100 N HN 0.495 nan 8.380 nan 0.000 0.424 101 T N 0.755 115.316 114.554 0.011 0.000 2.851 101 T HA -0.018 3.769 4.350 -0.938 0.000 0.262 101 T C 2.299 176.974 174.700 -0.042 0.000 1.043 101 T CA 0.498 62.536 62.100 -0.103 0.000 1.140 101 T CB -0.298 68.367 68.868 -0.338 0.000 0.872 101 T HN 0.296 nan 8.240 nan 0.000 0.446 102 C N 1.403 120.762 119.300 0.100 0.000 2.398 102 C HA -0.079 3.818 4.460 -0.938 0.000 0.276 102 C C 2.859 177.927 174.990 0.130 0.000 1.222 102 C CA 0.774 59.875 59.018 0.139 0.000 1.746 102 C CB -0.961 26.873 27.740 0.157 0.000 2.039 102 C HN 0.550 nan 8.230 nan 0.000 0.470 103 R N 0.818 121.390 120.500 0.120 0.000 2.094 103 R HA -0.194 3.583 4.340 -0.938 0.000 0.239 103 R C 2.516 178.863 176.300 0.078 0.000 1.137 103 R CA 1.880 58.037 56.100 0.096 0.000 0.943 103 R CB -0.453 29.885 30.300 0.063 0.000 0.850 103 R HN 0.504 nan 8.270 nan 0.000 0.433 104 R N -0.522 120.006 120.500 0.047 0.000 2.081 104 R HA -0.098 3.679 4.340 -0.938 0.000 0.235 104 R C 2.213 178.547 176.300 0.058 0.000 1.131 104 R CA 1.721 57.840 56.100 0.031 0.000 0.960 104 R CB -0.527 29.770 30.300 -0.005 0.000 0.856 104 R HN 0.450 nan 8.270 nan 0.000 0.436 105 G N 0.792 109.632 108.800 0.067 0.000 2.402 105 G HA2 -0.207 3.191 3.960 -0.938 0.000 0.216 105 G HA3 -0.207 3.191 3.960 -0.938 0.000 0.216 105 G C 1.448 176.458 174.900 0.182 0.000 1.162 105 G CA 0.724 45.890 45.100 0.109 0.000 0.777 105 G HN 0.261 nan 8.290 nan 0.000 0.539 106 I N 0.079 120.769 120.570 0.199 0.000 2.252 106 I HA -0.104 3.503 4.170 -0.938 0.000 0.245 106 I C 2.987 179.254 176.117 0.251 0.000 1.102 106 I CA 0.706 62.166 61.300 0.267 0.000 1.385 106 I CB -0.174 37.990 38.000 0.273 0.000 1.064 106 I HN 0.037 nan 8.210 nan 0.000 0.414 107 R N 0.384 120.984 120.500 0.166 0.000 2.105 107 R HA -0.178 3.600 4.340 -0.938 0.000 0.239 107 R C 2.423 178.806 176.300 0.139 0.000 1.135 107 R CA 1.181 57.356 56.100 0.126 0.000 0.967 107 R CB -0.491 29.849 30.300 0.066 0.000 0.861 107 R HN 0.381 nan 8.270 nan 0.000 0.442 108 R N 0.248 120.833 120.500 0.142 0.000 2.080 108 R HA -0.221 3.556 4.340 -0.938 0.000 0.236 108 R C 2.224 178.622 176.300 0.162 0.000 1.137 108 R CA 1.837 58.022 56.100 0.142 0.000 0.943 108 R CB -0.554 29.822 30.300 0.127 0.000 0.846 108 R HN 0.215 nan 8.270 nan 0.000 0.431 109 Y N 1.182 121.542 120.300 0.100 0.000 2.097 109 Y HA -0.255 3.736 4.550 -0.931 0.000 0.282 109 Y C 2.309 178.260 175.900 0.084 0.000 1.152 109 Y CA 2.342 60.495 58.100 0.088 0.000 1.136 109 Y CB -0.428 38.091 38.460 0.098 0.000 0.975 109 Y HN 0.048 nan 8.280 nan 0.000 0.498 110 M N -1.235 118.374 119.600 0.015 0.000 2.144 110 M HA -0.264 3.653 4.480 -0.938 0.000 0.260 110 M C 2.076 178.322 176.300 -0.090 0.000 1.067 110 M CA 2.355 57.616 55.300 -0.066 0.000 1.095 110 M CB -0.448 32.213 32.600 0.103 0.000 1.365 110 M HN 0.471 nan 8.290 nan 0.000 0.406 111 H N -0.562 118.449 119.070 -0.099 0.000 2.476 111 H HA 0.083 4.076 4.556 -0.938 0.000 0.292 111 H C 1.530 176.806 175.328 -0.087 0.000 1.019 111 H CA 1.175 57.179 56.048 -0.073 0.000 1.330 111 H CB 0.497 30.242 29.762 -0.029 0.000 1.451 111 H HN 0.314 nan 8.280 nan 0.000 0.535 112 E N -1.075 119.082 120.200 -0.072 0.000 2.389 112 E HA 0.175 3.963 4.350 -0.938 0.000 0.199 112 E C 1.054 177.570 176.600 -0.139 0.000 0.978 112 E CA 0.365 56.706 56.400 -0.098 0.000 0.912 112 E CB 0.892 30.611 29.700 0.032 0.000 0.907 112 E HN 0.605 nan 8.360 nan 0.000 0.494 113 G N 2.218 110.869 108.800 -0.247 0.000 2.184 113 G HA2 -0.312 3.086 3.960 -0.938 0.000 0.264 113 G HA3 -0.312 3.086 3.960 -0.938 0.000 0.264 113 G C 0.524 175.410 174.900 -0.023 0.000 0.975 113 G CA 0.711 45.626 45.100 -0.308 0.000 0.642 113 G HN 0.338 nan 8.290 nan 0.000 0.536 114 T N -0.890 113.707 114.554 0.071 0.000 2.794 114 T HA 0.520 4.308 4.350 -0.938 0.000 0.296 114 T C 1.405 176.273 174.700 0.281 0.000 0.949 114 T CA 0.713 62.904 62.100 0.151 0.000 1.101 114 T CB 1.554 70.484 68.868 0.103 0.000 0.905 114 T HN 0.896 nan 8.240 nan 0.000 0.516 115 T N -0.654 114.029 114.554 0.215 0.000 3.107 115 T HA 0.237 4.024 4.350 -0.938 0.000 0.249 115 T C 0.654 175.407 174.700 0.089 0.000 1.096 115 T CA -0.141 62.046 62.100 0.144 0.000 1.012 115 T CB 0.064 68.967 68.868 0.057 0.000 0.977 115 T HN 0.684 nan 8.240 nan 0.000 0.527 116 T N 1.070 115.687 114.554 0.104 0.000 2.909 116 T HA 0.684 4.472 4.350 -0.938 0.000 0.299 116 T C -1.139 173.622 174.700 0.101 0.000 1.073 116 T CA -0.501 61.655 62.100 0.093 0.000 0.999 116 T CB 1.526 70.440 68.868 0.076 0.000 1.098 116 T HN 0.426 nan 8.240 nan 0.000 0.477 117 A N 4.830 127.711 122.820 0.101 0.000 2.327 117 A HA 0.787 4.544 4.320 -0.938 0.000 0.283 117 A C -2.366 175.271 177.584 0.088 0.000 1.127 117 A CA -1.413 50.677 52.037 0.088 0.000 0.810 117 A CB 0.075 19.121 19.000 0.076 0.000 1.066 117 A HN 0.650 nan 8.150 nan 0.000 0.492 118 P HA 0.101 nan 4.420 nan 0.000 0.274 118 P C -0.689 176.674 177.300 0.104 0.000 1.237 118 P CA -0.126 63.029 63.100 0.093 0.000 0.793 118 P CB 0.294 32.038 31.700 0.072 0.000 0.977 119 Y N 1.433 121.757 120.300 0.039 0.000 2.712 119 Y HA 0.198 4.184 4.550 -0.940 0.000 0.333 119 Y C 0.228 176.154 175.900 0.043 0.000 1.225 119 Y CA 0.863 58.985 58.100 0.037 0.000 1.499 119 Y CB 0.255 38.721 38.460 0.010 0.000 1.288 119 Y HN 0.357 nan 8.280 nan 0.000 0.575 120 S N 4.943 120.119 115.700 -0.873 0.000 2.547 120 S HA 0.189 4.096 4.470 -0.938 0.000 0.281 120 S C 0.468 174.536 174.600 -0.886 0.000 1.118 120 S CA -0.771 56.948 58.200 -0.802 0.000 0.947 120 S CB 1.448 64.464 63.200 -0.307 0.000 1.053 120 S HN 0.910 nan 8.310 nan 0.000 0.482 121 E N 3.212 123.070 120.200 -0.569 0.000 2.209 121 E HA -0.099 3.688 4.350 -0.938 0.000 0.196 121 E C 1.381 177.982 176.600 0.002 0.000 0.993 121 E CA 1.377 57.731 56.400 -0.076 0.000 0.819 121 E CB -0.346 29.387 29.700 0.055 0.000 0.745 121 E HN 0.830 nan 8.360 nan 0.000 0.477 122 G N 0.186 108.928 108.800 -0.097 0.000 3.181 122 G HA2 -0.069 3.328 3.960 -0.938 0.000 0.219 122 G HA3 -0.069 3.328 3.960 -0.938 0.000 0.219 122 G C 0.323 175.161 174.900 -0.104 0.000 1.182 122 G CA -0.181 44.861 45.100 -0.095 0.000 0.791 122 G HN 0.057 nan 8.290 nan 0.000 0.537 123 D N 0.606 120.952 120.400 -0.090 0.000 2.370 123 D HA 0.275 4.353 4.640 -0.938 0.000 0.230 123 D C 1.815 178.122 176.300 0.012 0.000 1.143 123 D CA 0.026 53.981 54.000 -0.074 0.000 0.834 123 D CB 0.629 41.404 40.800 -0.042 0.000 0.944 123 D HN 0.236 nan 8.370 nan 0.000 0.504 124 A N 0.085 122.803 122.820 -0.169 0.000 2.370 124 A HA 0.461 4.218 4.320 -0.938 0.000 0.238 124 A C 1.353 179.013 177.584 0.126 0.000 1.289 124 A CA -0.195 51.723 52.037 -0.198 0.000 0.885 124 A CB -0.196 18.562 19.000 -0.403 0.000 0.961 124 A HN 0.216 nan 8.150 nan 0.000 0.499 125 G N 0.187 109.102 108.800 0.192 0.000 2.684 125 G HA2 0.254 3.651 3.960 -0.938 0.000 0.255 125 G HA3 0.254 3.651 3.960 -0.938 0.000 0.255 125 G C 0.497 175.466 174.900 0.116 0.000 1.219 125 G CA 0.127 45.353 45.100 0.209 0.000 0.901 125 G HN 0.519 nan 8.290 nan 0.000 0.548 126 N N -0.922 117.800 118.700 0.036 0.000 2.268 126 N HA 0.086 4.263 4.740 -0.938 0.000 0.204 126 N C 1.674 177.074 175.510 -0.183 0.000 1.124 126 N CA 0.605 53.609 53.050 -0.077 0.000 0.838 126 N CB 0.304 38.765 38.487 -0.043 0.000 0.994 126 N HN 0.480 nan 8.380 nan 0.000 0.489 127 G N -0.244 108.411 108.800 -0.241 0.000 2.471 127 G HA2 -0.057 3.340 3.960 -0.938 0.000 0.219 127 G HA3 -0.057 3.340 3.960 -0.938 0.000 0.219 127 G C 1.418 176.072 174.900 -0.410 0.000 1.125 127 G CA 0.726 45.682 45.100 -0.241 0.000 0.775 127 G HN 0.524 nan 8.290 nan 0.000 0.548 128 A N 0.966 123.353 122.820 -0.722 0.000 1.903 128 A HA 0.517 4.274 4.320 -0.938 0.000 0.213 128 A C 2.743 180.189 177.584 -0.232 0.000 1.185 128 A CA 1.616 53.416 52.037 -0.395 0.000 0.628 128 A CB -0.628 18.168 19.000 -0.341 0.000 0.830 128 A HN 0.602 nan 8.150 nan 0.000 0.446 129 A N 0.749 123.433 122.820 -0.227 0.000 1.972 129 A HA -0.142 3.615 4.320 -0.938 0.000 0.219 129 A C 2.250 179.739 177.584 -0.159 0.000 1.169 129 A CA 1.846 53.785 52.037 -0.163 0.000 0.635 129 A CB -0.805 18.108 19.000 -0.145 0.000 0.810 129 A HN 0.822 nan 8.150 nan 0.000 0.446 130 M N -0.195 119.307 119.600 -0.163 0.000 2.446 130 M HA -0.112 3.805 4.480 -0.938 0.000 0.263 130 M C 1.469 177.677 176.300 -0.153 0.000 1.066 130 M CA 2.118 57.331 55.300 -0.145 0.000 1.087 130 M CB -0.290 32.233 32.600 -0.128 0.000 1.406 130 M HN 0.476 nan 8.290 nan 0.000 0.459 131 R N 0.276 120.681 120.500 -0.158 0.000 2.543 131 R HA 0.234 4.011 4.340 -0.938 0.000 0.323 131 R C 1.441 177.668 176.300 -0.122 0.000 1.002 131 R CA 0.355 56.367 56.100 -0.147 0.000 1.106 131 R CB -0.920 29.286 30.300 -0.156 0.000 1.280 131 R HN 0.595 nan 8.270 nan 0.000 0.549 132 C N -0.801 118.421 119.300 -0.131 0.000 2.522 132 C HA 0.193 4.090 4.460 -0.938 0.000 0.271 132 C C 2.115 177.019 174.990 -0.143 0.000 1.425 132 C CA -0.590 58.363 59.018 -0.109 0.000 1.751 132 C CB -0.899 26.777 27.740 -0.107 0.000 1.775 132 C HN 0.531 nan 8.230 nan 0.000 0.557 133 L N 2.932 124.023 121.223 -0.220 0.000 2.013 133 L HA 0.029 3.807 4.340 -0.938 0.000 0.212 133 L C -0.445 176.273 176.870 -0.253 0.000 1.073 133 L CA 2.392 57.061 54.840 -0.285 0.000 0.753 133 L CB -1.716 40.070 42.059 -0.455 0.000 0.890 133 L HN 0.119 nan 8.230 nan 0.000 0.432 134 P HA -0.134 nan 4.420 nan 0.000 0.216 134 P C 1.558 178.867 177.300 0.016 0.000 1.150 134 P CA 1.983 65.020 63.100 -0.105 0.000 0.837 134 P CB -0.242 31.441 31.700 -0.029 0.000 0.786 135 A N -0.018 122.821 122.820 0.031 0.000 1.933 135 A HA -0.090 3.667 4.320 -0.938 0.000 0.218 135 A C 2.312 179.942 177.584 0.077 0.000 1.175 135 A CA 2.004 54.123 52.037 0.136 0.000 0.628 135 A CB -1.544 17.531 19.000 0.125 0.000 0.814 135 A HN 0.200 nan 8.150 nan 0.000 0.444 136 A N -0.198 122.613 122.820 -0.014 0.000 1.898 136 A HA 0.001 3.758 4.320 -0.938 0.000 0.216 136 A C 2.155 179.790 177.584 0.086 0.000 1.181 136 A CA 1.395 53.431 52.037 -0.002 0.000 0.620 136 A CB -0.570 18.383 19.000 -0.078 0.000 0.819 136 A HN 0.462 nan 8.150 nan 0.000 0.442 137 L N -0.788 120.438 121.223 0.005 0.000 2.046 137 L HA -0.183 3.595 4.340 -0.938 0.000 0.208 137 L C 2.969 179.831 176.870 -0.013 0.000 1.077 137 L CA 1.101 55.934 54.840 -0.012 0.000 0.747 137 L CB -0.520 41.533 42.059 -0.010 0.000 0.896 137 L HN 0.436 nan 8.230 nan 0.000 0.432 138 A N -0.436 122.411 122.820 0.046 0.000 2.172 138 A HA -0.115 3.642 4.320 -0.938 0.000 0.216 138 A C 2.001 179.475 177.584 -0.183 0.000 1.154 138 A CA 1.709 53.799 52.037 0.088 0.000 0.701 138 A CB -0.615 18.590 19.000 0.342 0.000 0.789 138 A HN 0.520 nan 8.150 nan 0.000 0.465 139 T N -3.518 110.824 114.554 -0.353 0.000 3.085 139 T HA 0.359 4.146 4.350 -0.938 0.000 0.264 139 T C 1.358 175.663 174.700 -0.660 0.000 1.019 139 T CA 0.036 61.633 62.100 -0.838 0.000 0.910 139 T CB -0.314 68.190 68.868 -0.606 0.000 1.059 139 T HN 0.189 nan 8.240 nan 0.000 0.542 140 L N 1.143 122.050 121.223 -0.526 0.000 2.043 140 L HA 0.052 3.829 4.340 -0.938 0.000 0.212 140 L C 2.869 179.463 176.870 -0.459 0.000 1.075 140 L CA 1.828 56.273 54.840 -0.658 0.000 0.752 140 L CB -0.649 41.166 42.059 -0.405 0.000 0.891 140 L HN 0.531 nan 8.230 nan 0.000 0.432 141 G N -1.696 106.913 108.800 -0.319 0.000 2.712 141 G HA2 -0.111 3.286 3.960 -0.938 0.000 0.212 141 G HA3 -0.111 3.286 3.960 -0.938 0.000 0.212 141 G C 0.217 175.086 174.900 -0.050 0.000 1.142 141 G CA 0.276 45.300 45.100 -0.127 0.000 0.789 141 G HN 0.695 nan 8.290 nan 0.000 0.535 142 H N -2.174 116.792 119.070 -0.174 0.000 2.429 142 H HA 0.423 4.449 4.556 -0.882 0.000 0.231 142 H C -2.086 173.134 175.328 -0.180 0.000 1.416 142 H CA -1.962 53.984 56.048 -0.170 0.000 1.443 142 H CB 1.460 31.108 29.762 -0.191 0.000 1.591 142 H HN -0.039 nan 8.280 nan 0.000 0.507 143 P HA -0.143 nan 4.420 nan 0.000 0.226 143 P C 1.550 178.808 177.300 -0.070 0.000 1.153 143 P CA 1.298 64.368 63.100 -0.051 0.000 0.777 143 P CB 0.223 31.929 31.700 0.010 0.000 0.794 144 A N 0.739 123.523 122.820 -0.061 0.000 2.032 144 A HA -0.201 3.557 4.320 -0.938 0.000 0.221 144 A C 1.853 179.384 177.584 -0.088 0.000 1.165 144 A CA 1.913 53.920 52.037 -0.051 0.000 0.645 144 A CB -1.107 17.879 19.000 -0.023 0.000 0.807 144 A HN 0.107 nan 8.150 nan 0.000 0.453 145 D N -0.929 119.361 120.400 -0.183 0.000 2.347 145 D HA 0.008 4.086 4.640 -0.938 0.000 0.213 145 D C 1.672 177.747 176.300 -0.375 0.000 0.985 145 D CA 0.279 54.055 54.000 -0.372 0.000 0.879 145 D CB -0.034 40.290 40.800 -0.793 0.000 0.919 145 D HN 0.372 nan 8.370 nan 0.000 0.526 146 L N 1.540 122.611 121.223 -0.254 0.000 1.989 146 L HA -0.173 3.604 4.340 -0.938 0.000 0.211 146 L C 2.098 178.913 176.870 -0.092 0.000 1.071 146 L CA 1.911 56.625 54.840 -0.209 0.000 0.749 146 L CB -0.496 41.370 42.059 -0.320 0.000 0.890 146 L HN -0.087 nan 8.230 nan 0.000 0.431 147 E N -0.151 120.008 120.200 -0.068 0.000 2.031 147 E HA -0.170 3.618 4.350 -0.938 0.000 0.193 147 E C -0.389 176.248 176.600 0.061 0.000 0.994 147 E CA 1.877 58.269 56.400 -0.013 0.000 0.800 147 E CB -1.179 28.513 29.700 -0.013 0.000 0.752 147 E HN 0.425 nan 8.360 nan 0.000 0.447 148 P HA -0.142 nan 4.420 nan 0.000 0.217 148 P C 1.157 178.633 177.300 0.293 0.000 1.150 148 P CA 1.175 64.387 63.100 0.186 0.000 0.832 148 P CB -0.479 31.353 31.700 0.220 0.000 0.787 149 W N -0.156 121.141 121.300 -0.006 0.000 2.409 149 W HA -0.036 4.607 4.660 -0.028 0.000 0.299 149 W C 2.506 179.010 176.519 -0.026 0.000 1.203 149 W CA 0.335 57.673 57.345 -0.011 0.000 1.298 149 W CB -1.733 27.726 29.460 -0.001 0.000 1.127 149 W HN -0.253 nan 8.180 nan 0.000 0.528 150 V N 0.633 120.661 119.914 0.191 0.000 2.295 150 V HA -0.290 3.267 4.120 -0.938 0.000 0.246 150 V C 2.241 178.371 176.094 0.059 0.000 1.049 150 V CA 1.584 63.929 62.300 0.075 0.000 1.024 150 V CB -1.001 30.821 31.823 -0.002 0.000 0.648 150 V HN 0.100 nan 8.190 nan 0.000 0.447 151 L N -0.201 121.063 121.223 0.068 0.000 2.093 151 L HA -0.099 3.678 4.340 -0.938 0.000 0.208 151 L C 2.749 179.659 176.870 0.066 0.000 1.085 151 L CA 1.355 56.233 54.840 0.064 0.000 0.755 151 L CB -0.880 41.218 42.059 0.065 0.000 0.904 151 L HN 0.374 nan 8.230 nan 0.000 0.435 152 A N 0.987 123.844 122.820 0.062 0.000 1.883 152 A HA -0.288 3.469 4.320 -0.938 0.000 0.217 152 A C 2.202 179.791 177.584 0.009 0.000 1.186 152 A CA 2.113 54.164 52.037 0.023 0.000 0.624 152 A CB -0.524 18.463 19.000 -0.021 0.000 0.822 152 A HN 0.575 nan 8.150 nan 0.000 0.444 153 Q N -0.207 119.599 119.800 0.010 0.000 2.083 153 Q HA 0.211 3.989 4.340 -0.938 0.000 0.198 153 Q C 1.884 177.950 176.000 0.111 0.000 0.969 153 Q CA 2.038 57.855 55.803 0.023 0.000 0.838 153 Q CB -0.922 27.825 28.738 0.014 0.000 0.900 153 Q HN 0.441 nan 8.270 nan 0.000 0.436 154 A N 1.368 124.239 122.820 0.086 0.000 1.877 154 A HA -0.134 3.624 4.320 -0.938 0.000 0.216 154 A C 2.151 179.823 177.584 0.147 0.000 1.186 154 A CA 1.491 53.582 52.037 0.090 0.000 0.620 154 A CB -0.482 18.548 19.000 0.051 0.000 0.822 154 A HN 0.313 nan 8.150 nan 0.000 0.443 155 R N -0.440 120.135 120.500 0.126 0.000 2.328 155 R HA 0.065 3.843 4.340 -0.938 0.000 0.207 155 R C 1.656 178.037 176.300 0.135 0.000 1.056 155 R CA 0.597 56.778 56.100 0.135 0.000 1.016 155 R CB -0.612 29.751 30.300 0.105 0.000 0.872 155 R HN 0.647 nan 8.270 nan 0.000 0.471 156 I N 0.584 121.240 120.570 0.143 0.000 2.335 156 I HA -0.287 3.320 4.170 -0.938 0.000 0.251 156 I C 2.168 178.397 176.117 0.188 0.000 1.129 156 I CA 2.038 63.431 61.300 0.156 0.000 1.402 156 I CB -0.144 37.975 38.000 0.198 0.000 1.069 156 I HN 0.257 nan 8.210 nan 0.000 0.424 157 T N -4.858 109.830 114.554 0.223 0.000 3.010 157 T HA 0.155 3.942 4.350 -0.938 0.000 0.252 157 T C 0.307 175.064 174.700 0.096 0.000 0.963 157 T CA -0.194 62.023 62.100 0.194 0.000 0.952 157 T CB 0.092 69.131 68.868 0.285 0.000 1.182 157 T HN 0.104 nan 8.240 nan 0.000 0.495 158 H N 1.622 120.739 119.070 0.078 0.000 2.727 158 H HA 0.682 4.676 4.556 -0.936 0.000 0.330 158 H C -1.155 174.240 175.328 0.111 0.000 0.986 158 H CA -0.855 55.243 56.048 0.082 0.000 1.251 158 H CB 1.118 30.922 29.762 0.070 0.000 1.493 158 H HN 0.122 nan 8.280 nan 0.000 0.515 159 N N 2.899 121.721 118.700 0.203 0.000 2.696 159 N HA 0.134 4.311 4.740 -0.938 0.000 0.246 159 N C -1.688 174.014 175.510 0.320 0.000 1.057 159 N CA -0.339 52.845 53.050 0.224 0.000 0.867 159 N CB 0.319 38.915 38.487 0.182 0.000 1.141 159 N HN 0.694 nan 8.380 nan 0.000 0.517 160 H N 3.227 122.436 119.070 0.231 0.000 3.087 160 H HA 0.284 4.277 4.556 -0.940 0.000 0.348 160 H C -2.335 173.108 175.328 0.191 0.000 1.092 160 H CA -1.124 55.092 56.048 0.279 0.000 1.285 160 H CB 2.391 32.273 29.762 0.200 0.000 1.875 160 H HN 0.210 nan 8.280 nan 0.000 0.512 161 P HA -0.101 nan 4.420 nan 0.000 0.217 161 P C 1.716 179.065 177.300 0.081 0.000 1.148 161 P CA 1.015 64.164 63.100 0.081 0.000 0.828 161 P CB 0.455 32.161 31.700 0.010 0.000 0.783 162 L N -1.390 120.009 121.223 0.294 0.000 2.072 162 L HA -0.115 3.662 4.340 -0.938 0.000 0.205 162 L C 2.618 179.625 176.870 0.229 0.000 1.079 162 L CA 1.564 56.507 54.840 0.171 0.000 0.752 162 L CB -1.148 40.983 42.059 0.121 0.000 0.906 162 L HN 0.055 nan 8.230 nan 0.000 0.436 163 S N -0.004 115.830 115.700 0.224 0.000 2.348 163 S HA -0.219 3.689 4.470 -0.938 0.000 0.221 163 S C 1.641 176.295 174.600 0.090 0.000 1.033 163 S CA 1.769 60.049 58.200 0.135 0.000 1.010 163 S CB -0.241 63.062 63.200 0.173 0.000 0.891 163 S HN 0.386 nan 8.310 nan 0.000 0.442 164 D N 1.585 122.060 120.400 0.124 0.000 2.126 164 D HA -0.114 3.963 4.640 -0.938 0.000 0.190 164 D C 2.246 178.574 176.300 0.046 0.000 1.001 164 D CA 1.582 55.633 54.000 0.085 0.000 0.841 164 D CB -0.848 40.016 40.800 0.106 0.000 0.949 164 D HN 0.519 nan 8.370 nan 0.000 0.446 165 A N 0.962 123.816 122.820 0.057 0.000 1.902 165 A HA -0.032 3.725 4.320 -0.938 0.000 0.217 165 A C 2.334 179.857 177.584 -0.103 0.000 1.181 165 A CA 2.416 54.472 52.037 0.033 0.000 0.623 165 A CB -0.761 18.313 19.000 0.124 0.000 0.818 165 A HN 0.254 nan 8.150 nan 0.000 0.443 166 A N -0.884 121.848 122.820 -0.147 0.000 1.877 166 A HA -0.179 3.578 4.320 -0.938 0.000 0.216 166 A C 2.325 179.808 177.584 -0.169 0.000 1.186 166 A CA 1.700 53.586 52.037 -0.251 0.000 0.620 166 A CB -1.341 17.556 19.000 -0.170 0.000 0.822 166 A HN 0.603 nan 8.150 nan 0.000 0.443 167 C N -1.376 117.860 119.300 -0.106 0.000 2.413 167 C HA -0.088 3.809 4.460 -0.938 0.000 0.276 167 C C 2.548 177.472 174.990 -0.110 0.000 1.248 167 C CA 1.235 60.193 59.018 -0.101 0.000 1.742 167 C CB -1.397 26.306 27.740 -0.061 0.000 2.017 167 C HN 0.663 nan 8.230 nan 0.000 0.481 168 L N 0.750 121.919 121.223 -0.089 0.000 2.072 168 L HA -0.074 3.704 4.340 -0.938 0.000 0.205 168 L C 2.533 179.329 176.870 -0.122 0.000 1.079 168 L CA 2.096 56.880 54.840 -0.095 0.000 0.752 168 L CB -1.180 40.849 42.059 -0.050 0.000 0.906 168 L HN 0.282 nan 8.230 nan 0.000 0.436 169 T N -0.072 114.410 114.554 -0.121 0.000 2.652 169 T HA -0.196 3.591 4.350 -0.938 0.000 0.267 169 T C 1.964 176.581 174.700 -0.138 0.000 1.039 169 T CA 1.981 64.010 62.100 -0.120 0.000 1.153 169 T CB -0.386 68.386 68.868 -0.161 0.000 0.863 169 T HN 0.279 nan 8.240 nan 0.000 0.428 170 L N 0.620 121.740 121.223 -0.171 0.000 2.042 170 L HA -0.041 3.736 4.340 -0.938 0.000 0.210 170 L C 3.027 179.783 176.870 -0.190 0.000 1.076 170 L CA 1.443 56.171 54.840 -0.187 0.000 0.749 170 L CB -1.018 40.924 42.059 -0.194 0.000 0.893 170 L HN 0.371 nan 8.230 nan 0.000 0.432 171 G N -0.301 108.377 108.800 -0.203 0.000 2.440 171 G HA2 -0.247 3.150 3.960 -0.938 0.000 0.218 171 G HA3 -0.247 3.150 3.960 -0.938 0.000 0.218 171 G C 1.741 176.417 174.900 -0.373 0.000 1.154 171 G CA 0.569 45.507 45.100 -0.270 0.000 0.767 171 G HN 0.285 nan 8.290 nan 0.000 0.552 172 R N -0.564 119.745 120.500 -0.319 0.000 2.092 172 R HA 0.117 3.894 4.340 -0.938 0.000 0.231 172 R C 2.746 178.869 176.300 -0.295 0.000 1.119 172 R CA 1.213 57.098 56.100 -0.357 0.000 0.970 172 R CB -0.308 29.856 30.300 -0.226 0.000 0.864 172 R HN 0.349 nan 8.270 nan 0.000 0.440 173 M N -0.049 119.491 119.600 -0.100 0.000 2.117 173 M HA -0.173 3.745 4.480 -0.938 0.000 0.262 173 M C 2.239 178.523 176.300 -0.026 0.000 1.065 173 M CA 1.459 56.776 55.300 0.029 0.000 1.114 173 M CB -0.164 32.408 32.600 -0.047 0.000 1.361 173 M HN -0.003 nan 8.290 nan 0.000 0.408 174 V N -0.407 119.450 119.914 -0.095 0.000 2.332 174 V HA -0.319 3.238 4.120 -0.938 0.000 0.248 174 V C 2.093 178.208 176.094 0.034 0.000 1.055 174 V CA 1.917 64.184 62.300 -0.055 0.000 1.038 174 V CB -1.058 30.720 31.823 -0.076 0.000 0.651 174 V HN 0.508 nan 8.190 nan 0.000 0.450 175 H N -1.412 117.549 119.070 -0.181 0.000 2.353 175 H HA -0.150 3.803 4.556 -1.005 0.000 0.300 175 H C 2.447 177.687 175.328 -0.146 0.000 1.090 175 H CA 1.474 57.403 56.048 -0.199 0.000 1.327 175 H CB 0.046 29.639 29.762 -0.282 0.000 1.383 175 H HN 0.516 nan 8.280 nan 0.000 0.508 176 H N 0.517 119.635 119.070 0.081 0.000 2.321 176 H HA -0.102 3.900 4.556 -0.924 0.000 0.300 176 H C 2.575 177.912 175.328 0.016 0.000 1.087 176 H CA 0.958 57.029 56.048 0.038 0.000 1.319 176 H CB -0.225 29.560 29.762 0.039 0.000 1.379 176 H HN 0.304 nan 8.280 nan 0.000 0.501 177 L N 0.022 121.324 121.223 0.131 0.000 2.027 177 L HA -0.120 3.657 4.340 -0.938 0.000 0.206 177 L C 2.623 179.507 176.870 0.023 0.000 1.074 177 L CA 0.957 55.833 54.840 0.059 0.000 0.745 177 L CB -0.345 41.722 42.059 0.015 0.000 0.898 177 L HN 0.144 nan 8.230 nan 0.000 0.433 178 I N -0.176 120.395 120.570 0.002 0.000 2.394 178 I HA -0.146 3.461 4.170 -0.938 0.000 0.251 178 I C 2.326 178.426 176.117 -0.028 0.000 1.136 178 I CA 1.198 62.484 61.300 -0.024 0.000 1.425 178 I CB -0.680 37.289 38.000 -0.051 0.000 1.079 178 I HN 0.271 nan 8.210 nan 0.000 0.425 179 G N 0.183 108.968 108.800 -0.026 0.000 2.776 179 G HA2 0.119 3.516 3.960 -0.938 0.000 0.209 179 G HA3 0.119 3.516 3.960 -0.938 0.000 0.209 179 G C 1.319 176.227 174.900 0.012 0.000 1.145 179 G CA 0.466 45.554 45.100 -0.020 0.000 0.791 179 G HN 0.567 nan 8.290 nan 0.000 0.530 180 G N 0.018 108.832 108.800 0.022 0.000 2.198 180 G HA2 -0.285 3.112 3.960 -0.938 0.000 0.257 180 G HA3 -0.285 3.112 3.960 -0.938 0.000 0.257 180 G C 1.034 175.954 174.900 0.032 0.000 1.042 180 G CA 0.426 45.540 45.100 0.023 0.000 0.791 180 G HN 0.565 nan 8.290 nan 0.000 0.502 181 R N -0.113 120.422 120.500 0.058 0.000 2.290 181 R HA 0.427 4.204 4.340 -0.938 0.000 0.197 181 R C 1.556 177.870 176.300 0.022 0.000 0.913 181 R CA 0.658 56.786 56.100 0.046 0.000 1.040 181 R CB 0.352 30.706 30.300 0.089 0.000 0.992 181 R HN 1.541 nan 8.270 nan 0.000 0.500 182 G N 0.873 109.700 108.800 0.044 0.000 2.710 182 G HA2 -0.302 3.095 3.960 -0.938 0.000 0.668 182 G HA3 -0.302 3.095 3.960 -0.938 0.000 0.668 182 G C 0.276 175.219 174.900 0.072 0.000 1.320 182 G CA -0.078 45.044 45.100 0.036 0.000 0.860 182 G HN 0.148 nan 8.290 nan 0.000 0.538 183 M N 0.161 119.812 119.600 0.084 0.000 2.213 183 M HA -0.021 3.896 4.480 -0.938 0.000 0.263 183 M C 2.494 178.879 176.300 0.141 0.000 1.062 183 M CA 2.578 57.985 55.300 0.178 0.000 1.105 183 M CB -0.300 32.351 32.600 0.085 0.000 1.385 183 M HN 0.689 nan 8.290 nan 0.000 0.417 184 K N 0.310 120.732 120.400 0.037 0.000 2.044 184 K HA -0.212 3.545 4.320 -0.938 0.000 0.210 184 K C 1.714 178.277 176.600 -0.061 0.000 1.049 184 K CA 1.822 58.096 56.287 -0.021 0.000 0.927 184 K CB -0.223 32.256 32.500 -0.034 0.000 0.713 184 K HN 0.462 nan 8.250 nan 0.000 0.443 185 A N 0.382 123.140 122.820 -0.104 0.000 1.968 185 A HA -0.118 3.639 4.320 -0.938 0.000 0.217 185 A C 2.351 179.762 177.584 -0.289 0.000 1.169 185 A CA 1.416 53.261 52.037 -0.319 0.000 0.638 185 A CB -0.700 17.979 19.000 -0.535 0.000 0.812 185 A HN 0.563 nan 8.150 nan 0.000 0.446 186 C N -0.946 118.359 119.300 0.010 0.000 2.457 186 C HA -0.017 3.880 4.460 -0.938 0.000 0.278 186 C C 2.799 177.982 174.990 0.322 0.000 1.309 186 C CA 0.765 59.939 59.018 0.259 0.000 1.735 186 C CB -1.253 26.763 27.740 0.459 0.000 1.992 186 C HN 0.604 nan 8.230 nan 0.000 0.493 187 R N 1.040 121.603 120.500 0.104 0.000 2.083 187 R HA -0.164 3.614 4.340 -0.938 0.000 0.237 187 R C 2.056 178.290 176.300 -0.110 0.000 1.137 187 R CA 1.604 57.539 56.100 -0.275 0.000 0.951 187 R CB -0.376 29.700 30.300 -0.373 0.000 0.851 187 R HN 0.668 nan 8.270 nan 0.000 0.434 188 E N 0.132 120.285 120.200 -0.078 0.000 2.110 188 E HA -0.218 3.569 4.350 -0.938 0.000 0.193 188 E C 1.890 178.490 176.600 -0.001 0.000 0.988 188 E CA 1.031 57.395 56.400 -0.059 0.000 0.804 188 E CB 0.024 29.672 29.700 -0.087 0.000 0.745 188 E HN 0.213 nan 8.360 nan 0.000 0.458 189 E N 0.758 120.983 120.200 0.042 0.000 2.107 189 E HA -0.095 3.692 4.350 -0.938 0.000 0.191 189 E C 1.845 178.506 176.600 0.102 0.000 0.982 189 E CA 1.152 57.613 56.400 0.102 0.000 0.809 189 E CB -0.172 29.639 29.700 0.186 0.000 0.756 189 E HN 0.241 nan 8.360 nan 0.000 0.459 190 A N 0.826 123.739 122.820 0.155 0.000 1.877 190 A HA -0.223 3.535 4.320 -0.938 0.000 0.216 190 A C 2.001 179.674 177.584 0.149 0.000 1.186 190 A CA 1.793 53.956 52.037 0.211 0.000 0.620 190 A CB -0.780 18.466 19.000 0.411 0.000 0.822 190 A HN 0.243 nan 8.150 nan 0.000 0.443 191 N N -0.173 118.569 118.700 0.070 0.000 2.104 191 N HA -0.150 4.028 4.740 -0.938 0.000 0.190 191 N C 1.818 177.356 175.510 0.046 0.000 1.024 191 N CA 1.457 54.518 53.050 0.019 0.000 0.853 191 N CB -0.427 38.038 38.487 -0.035 0.000 1.008 191 N HN 0.532 nan 8.380 nan 0.000 0.424 192 R N 0.017 120.550 120.500 0.055 0.000 2.075 192 R HA -0.063 3.714 4.340 -0.938 0.000 0.232 192 R C 2.050 178.409 176.300 0.098 0.000 1.126 192 R CA 0.682 56.830 56.100 0.079 0.000 0.963 192 R CB -0.486 29.851 30.300 0.062 0.000 0.858 192 R HN 0.155 nan 8.270 nan 0.000 0.435 193 L N 0.732 122.000 121.223 0.076 0.000 2.017 193 L HA -0.146 3.631 4.340 -0.938 0.000 0.208 193 L C 2.052 179.017 176.870 0.158 0.000 1.073 193 L CA 1.649 56.532 54.840 0.071 0.000 0.745 193 L CB -0.383 41.635 42.059 -0.067 0.000 0.894 193 L HN -0.100 nan 8.230 nan 0.000 0.432 194 V N -0.518 119.467 119.914 0.119 0.000 2.515 194 V HA -0.307 3.250 4.120 -0.938 0.000 0.250 194 V C 2.563 178.678 176.094 0.035 0.000 1.058 194 V CA 1.972 64.289 62.300 0.028 0.000 1.064 194 V CB -1.010 30.673 31.823 -0.234 0.000 0.675 194 V HN 0.657 nan 8.190 nan 0.000 0.461 195 H N 0.559 119.617 119.070 -0.021 0.000 2.389 195 H HA -0.177 3.816 4.556 -0.939 0.000 0.299 195 H C 2.473 177.797 175.328 -0.006 0.000 1.081 195 H CA 1.839 57.889 56.048 0.003 0.000 1.345 195 H CB 0.371 30.134 29.762 0.002 0.000 1.393 195 H HN 0.686 nan 8.280 nan 0.000 0.520 196 Q N -0.497 119.284 119.800 -0.031 0.000 2.187 196 Q HA -0.058 3.719 4.340 -0.938 0.000 0.199 196 Q C -0.010 175.748 176.000 -0.403 0.000 0.957 196 Q CA 1.122 56.791 55.803 -0.223 0.000 0.857 196 Q CB 0.255 28.897 28.738 -0.160 0.000 0.929 196 Q HN 0.422 nan 8.270 nan 0.000 0.453 197 H N 0.455 119.609 119.070 0.140 0.000 2.716 197 H HA 0.243 4.236 4.556 -0.939 0.000 0.260 197 H C -0.040 175.385 175.328 0.162 0.000 1.280 197 H CA -0.386 55.767 56.048 0.175 0.000 1.506 197 H CB 1.004 30.959 29.762 0.321 0.000 1.514 197 H HN 0.297 nan 8.280 nan 0.000 0.502 198 R N 1.495 122.102 120.500 0.179 0.000 2.228 198 R HA -0.202 3.575 4.340 -0.938 0.000 0.259 198 R C 0.269 176.708 176.300 0.231 0.000 1.183 198 R CA 1.972 58.210 56.100 0.230 0.000 1.002 198 R CB 0.175 30.590 30.300 0.192 0.000 0.879 198 R HN 0.310 nan 8.270 nan 0.000 0.467 199 D N -0.347 120.102 120.400 0.083 0.000 2.221 199 D HA -0.155 3.922 4.640 -0.938 0.000 0.204 199 D C 1.174 177.417 176.300 -0.095 0.000 0.982 199 D CA 1.046 55.011 54.000 -0.058 0.000 0.857 199 D CB -0.201 40.470 40.800 -0.214 0.000 0.934 199 D HN 0.288 nan 8.370 nan 0.000 0.475 200 F N 0.380 120.403 119.950 0.123 0.000 2.748 200 F HA -0.017 3.950 4.527 -0.933 0.000 0.299 200 F C 1.113 177.047 175.800 0.223 0.000 1.154 200 F CA 0.173 58.252 58.000 0.132 0.000 1.446 200 F CB -0.524 38.543 39.000 0.112 0.000 1.112 200 F HN -0.033 nan 8.300 nan 0.000 0.584 201 H N 1.006 120.256 119.070 0.299 0.000 3.195 201 H HA -0.139 3.856 4.556 -0.936 0.000 0.302 201 H C 0.726 176.193 175.328 0.233 0.000 0.950 201 H CA 1.086 57.238 56.048 0.173 0.000 1.398 201 H CB 0.150 29.950 29.762 0.063 0.000 1.377 201 H HN 0.322 nan 8.280 nan 0.000 0.572 202 F N 0.068 120.179 119.950 0.269 0.000 2.798 202 F HA 0.395 4.360 4.527 -0.936 0.000 0.328 202 F C -0.288 175.648 175.800 0.226 0.000 1.098 202 F CA -0.560 57.591 58.000 0.252 0.000 1.172 202 F CB 0.791 39.954 39.000 0.271 0.000 1.072 202 F HN 0.127 nan 8.300 nan 0.000 0.555 203 E N 3.562 123.692 120.200 -0.117 0.000 2.224 203 E HA 0.360 4.147 4.350 -0.938 0.000 0.265 203 E C -2.519 174.065 176.600 -0.028 0.000 0.878 203 E CA -1.735 54.647 56.400 -0.030 0.000 0.759 203 E CB 1.723 31.361 29.700 -0.103 0.000 1.164 203 E HN 0.096 nan 8.360 nan 0.000 0.414 204 P HA 0.106 nan 4.420 nan 0.000 0.275 204 P C -0.591 176.725 177.300 0.027 0.000 1.227 204 P CA -0.369 62.742 63.100 0.018 0.000 0.781 204 P CB 0.377 32.074 31.700 -0.004 0.000 0.906 205 Y N 2.900 123.102 120.300 -0.163 0.000 2.465 205 Y HA 0.060 4.047 4.550 -0.938 0.000 0.331 205 Y C 1.156 176.954 175.900 -0.170 0.000 1.102 205 Y CA 0.171 58.107 58.100 -0.273 0.000 1.358 205 Y CB 0.761 38.665 38.460 -0.927 0.000 1.213 205 Y HN 0.220 nan 8.280 nan 0.000 0.525 206 K N 4.314 124.280 120.400 -0.724 0.000 2.374 206 K HA 0.219 3.976 4.320 -0.938 0.000 0.196 206 K C 1.060 177.294 176.600 -0.610 0.000 1.023 206 K CA 0.613 56.601 56.287 -0.499 0.000 1.103 206 K CB 0.173 32.524 32.500 -0.248 0.000 0.848 206 K HN 1.059 nan 8.250 nan 0.000 0.528 207 G N 2.125 110.195 108.800 -1.217 0.000 2.149 207 G HA2 -0.201 3.196 3.960 -0.938 0.000 0.235 207 G HA3 -0.201 3.196 3.960 -0.938 0.000 0.235 207 G C -0.286 174.489 174.900 -0.207 0.000 1.018 207 G CA -0.142 44.607 45.100 -0.586 0.000 0.728 207 G HN 0.173 nan 8.290 nan 0.000 0.508 208 Q N 0.245 119.928 119.800 -0.196 0.000 2.290 208 Q HA 0.635 4.412 4.340 -0.938 0.000 0.259 208 Q C 0.607 176.664 176.000 0.094 0.000 0.941 208 Q CA 0.242 56.036 55.803 -0.015 0.000 0.912 208 Q CB 1.674 30.410 28.738 -0.005 0.000 1.244 208 Q HN 0.848 nan 8.270 nan 0.000 0.441 209 S N -0.937 114.822 115.700 0.098 0.000 3.025 209 S HA 0.132 4.040 4.470 -0.938 0.000 0.251 209 S C 0.393 175.017 174.600 0.039 0.000 0.954 209 S CA -0.400 57.867 58.200 0.112 0.000 1.092 209 S CB 0.080 63.372 63.200 0.154 0.000 1.079 209 S HN 0.484 nan 8.310 nan 0.000 0.543 210 S N 1.297 117.022 115.700 0.042 0.000 2.626 210 S HA 0.672 4.579 4.470 -0.938 0.000 0.257 210 S C 1.444 176.057 174.600 0.023 0.000 1.288 210 S CA -0.097 58.109 58.200 0.011 0.000 0.980 210 S CB 0.523 63.755 63.200 0.053 0.000 0.975 210 S HN 0.934 nan 8.310 nan 0.000 0.577 211 A N -0.344 122.483 122.820 0.010 0.000 2.209 211 A HA 0.134 3.891 4.320 -0.938 0.000 0.212 211 A C 0.614 178.268 177.584 0.117 0.000 1.158 211 A CA 0.206 52.263 52.037 0.033 0.000 0.742 211 A CB -0.932 18.083 19.000 0.025 0.000 0.790 211 A HN 0.798 nan 8.150 nan 0.000 0.472 212 Y N 0.107 120.400 120.300 -0.013 0.000 2.717 212 Y HA 0.084 4.072 4.550 -0.937 0.000 0.330 212 Y C 1.108 177.011 175.900 0.005 0.000 1.217 212 Y CA -0.871 57.218 58.100 -0.017 0.000 1.506 212 Y CB 0.273 38.716 38.460 -0.029 0.000 1.268 212 Y HN 0.193 nan 8.280 nan 0.000 0.561 213 I N 5.649 126.161 120.570 -0.096 0.000 2.454 213 I HA -0.221 3.386 4.170 -0.938 0.000 0.254 213 I C 1.662 177.686 176.117 -0.154 0.000 1.156 213 I CA 1.333 62.570 61.300 -0.105 0.000 1.433 213 I CB -0.359 37.636 38.000 -0.008 0.000 1.082 213 I HN 0.629 nan 8.210 nan 0.000 0.432 214 V N 0.593 120.077 119.914 -0.717 0.000 2.270 214 V HA -0.278 3.279 4.120 -0.938 0.000 0.245 214 V C 2.204 178.180 176.094 -0.197 0.000 1.043 214 V CA 2.173 64.109 62.300 -0.607 0.000 1.014 214 V CB -0.925 30.245 31.823 -1.089 0.000 0.645 214 V HN 0.338 nan 8.190 nan 0.000 0.447 215 D N 0.046 120.337 120.400 -0.182 0.000 2.116 215 D HA -0.167 3.910 4.640 -0.938 0.000 0.193 215 D C 2.278 178.624 176.300 0.077 0.000 0.998 215 D CA 2.025 56.047 54.000 0.036 0.000 0.836 215 D CB -0.582 40.277 40.800 0.098 0.000 0.951 215 D HN 0.382 nan 8.370 nan 0.000 0.449 216 T N 0.544 115.117 114.554 0.031 0.000 2.708 216 T HA -0.113 3.674 4.350 -0.938 0.000 0.266 216 T C 1.893 176.610 174.700 0.028 0.000 1.037 216 T CA 0.978 63.095 62.100 0.029 0.000 1.146 216 T CB -0.071 68.793 68.868 -0.007 0.000 0.865 216 T HN 0.076 nan 8.240 nan 0.000 0.435 217 M N 1.118 120.748 119.600 0.050 0.000 2.175 217 M HA -0.011 3.906 4.480 -0.938 0.000 0.264 217 M C 2.329 178.638 176.300 0.014 0.000 1.063 217 M CA 1.350 56.657 55.300 0.011 0.000 1.119 217 M CB -1.139 31.487 32.600 0.042 0.000 1.377 217 M HN 0.350 nan 8.290 nan 0.000 0.415 218 Q N -0.671 119.226 119.800 0.162 0.000 2.096 218 Q HA -0.149 3.628 4.340 -0.938 0.000 0.204 218 Q C 2.008 178.111 176.000 0.172 0.000 0.982 218 Q CA 2.111 58.063 55.803 0.248 0.000 0.850 218 Q CB -0.315 28.642 28.738 0.365 0.000 0.901 218 Q HN 0.493 nan 8.270 nan 0.000 0.422 219 T N 0.350 115.023 114.554 0.198 0.000 2.701 219 T HA -0.107 3.680 4.350 -0.938 0.000 0.263 219 T C 2.034 176.737 174.700 0.004 0.000 1.040 219 T CA 1.276 63.446 62.100 0.118 0.000 1.147 219 T CB -0.279 68.743 68.868 0.257 0.000 0.865 219 T HN 0.035 nan 8.240 nan 0.000 0.426 220 V N 1.569 121.465 119.914 -0.030 0.000 2.295 220 V HA -0.120 3.438 4.120 -0.938 0.000 0.246 220 V C 2.521 178.497 176.094 -0.196 0.000 1.049 220 V CA 1.557 63.800 62.300 -0.093 0.000 1.024 220 V CB -0.651 31.085 31.823 -0.145 0.000 0.648 220 V HN 0.420 nan 8.190 nan 0.000 0.447 221 L N -0.766 120.250 121.223 -0.346 0.000 2.056 221 L HA -0.180 3.598 4.340 -0.938 0.000 0.207 221 L C 2.590 179.206 176.870 -0.424 0.000 1.078 221 L CA 1.954 56.455 54.840 -0.564 0.000 0.749 221 L CB -0.864 40.619 42.059 -0.959 0.000 0.901 221 L HN 0.483 nan 8.230 nan 0.000 0.433 222 H N -0.225 118.568 119.070 -0.462 0.000 2.265 222 H HA -0.266 3.727 4.556 -0.938 0.000 0.295 222 H C 2.110 177.281 175.328 -0.262 0.000 1.084 222 H CA 2.294 58.205 56.048 -0.229 0.000 1.261 222 H CB -0.394 28.987 29.762 -0.635 0.000 1.360 222 H HN 0.189 nan 8.280 nan 0.000 0.487 223 Y N -1.038 119.047 120.300 -0.359 0.000 2.242 223 Y HA -0.168 3.819 4.550 -0.939 0.000 0.291 223 Y C 2.510 178.282 175.900 -0.213 0.000 1.137 223 Y CA 1.348 59.244 58.100 -0.340 0.000 1.181 223 Y CB -0.969 37.373 38.460 -0.197 0.000 0.989 223 Y HN 0.366 nan 8.280 nan 0.000 0.527 224 Y N -0.739 119.442 120.300 -0.199 0.000 2.181 224 Y HA -0.252 3.738 4.550 -0.933 0.000 0.288 224 Y C 1.695 177.466 175.900 -0.214 0.000 1.146 224 Y CA 1.385 59.320 58.100 -0.276 0.000 1.164 224 Y CB -0.782 37.370 38.460 -0.514 0.000 0.982 224 Y HN 0.031 nan 8.280 nan 0.000 0.515 225 F N -0.769 119.052 119.950 -0.215 0.000 2.615 225 F HA 0.019 3.983 4.527 -0.939 0.000 0.297 225 F C 2.145 177.833 175.800 -0.187 0.000 1.124 225 F CA 1.008 58.861 58.000 -0.245 0.000 1.451 225 F CB -0.586 38.408 39.000 -0.010 0.000 1.103 225 F HN 0.058 nan 8.300 nan 0.000 0.569 226 V N -2.805 117.074 119.914 -0.058 0.000 3.542 226 V HA 0.267 3.824 4.120 -0.938 0.000 0.296 226 V C 0.544 176.608 176.094 -0.050 0.000 1.364 226 V CA 0.456 62.710 62.300 -0.076 0.000 1.118 226 V CB -1.233 30.474 31.823 -0.193 0.000 0.972 226 V HN 0.203 nan 8.190 nan 0.000 0.430 227 T N -1.238 113.285 114.554 -0.052 0.000 2.950 227 T HA 0.665 4.453 4.350 -0.938 0.000 0.288 227 T C -0.026 174.675 174.700 0.001 0.000 1.035 227 T CA 0.281 62.367 62.100 -0.023 0.000 1.028 227 T CB 1.932 70.791 68.868 -0.015 0.000 1.109 227 T HN 0.431 nan 8.240 nan 0.000 0.514 228 D N -1.439 118.951 120.400 -0.016 0.000 2.556 228 D HA 0.204 4.281 4.640 -0.938 0.000 0.237 228 D C 0.335 176.474 176.300 -0.269 0.000 1.296 228 D CA -0.178 53.833 54.000 0.017 0.000 0.807 228 D CB 0.022 40.837 40.800 0.024 0.000 1.084 228 D HN 0.828 nan 8.370 nan 0.000 0.510 229 T N -4.549 109.724 114.554 -0.469 0.000 2.864 229 T HA 0.386 4.173 4.350 -0.938 0.000 0.299 229 T C 0.225 174.550 174.700 -0.625 0.000 1.166 229 T CA -0.888 60.723 62.100 -0.814 0.000 1.007 229 T CB 1.039 69.698 68.868 -0.350 0.000 1.219 229 T HN -0.162 nan 8.240 nan 0.000 0.506 230 F N 1.577 121.153 119.950 -0.624 0.000 2.102 230 F HA 0.059 4.022 4.527 -0.941 0.000 0.298 230 F C 2.483 178.289 175.800 0.010 0.000 1.105 230 F CA 1.976 59.925 58.000 -0.086 0.000 1.239 230 F CB -0.063 38.960 39.000 0.039 0.000 0.991 230 F HN 0.740 nan 8.300 nan 0.000 0.474 231 K N 0.168 120.659 120.400 0.152 0.000 2.026 231 K HA -0.190 3.568 4.320 -0.938 0.000 0.208 231 K C 2.285 178.925 176.600 0.066 0.000 1.048 231 K CA 1.897 58.252 56.287 0.113 0.000 0.929 231 K CB -0.367 32.063 32.500 -0.117 0.000 0.713 231 K HN 0.440 nan 8.250 nan 0.000 0.439 232 S N 0.261 115.940 115.700 -0.036 0.000 2.383 232 S HA -0.181 3.726 4.470 -0.938 0.000 0.227 232 S C 2.404 176.966 174.600 -0.062 0.000 1.026 232 S CA 0.998 59.175 58.200 -0.039 0.000 0.981 232 S CB -0.982 62.185 63.200 -0.054 0.000 0.818 232 S HN 0.547 nan 8.310 nan 0.000 0.472 233 C N 1.237 120.483 119.300 -0.090 0.000 2.393 233 C HA -0.012 3.886 4.460 -0.938 0.000 0.276 233 C C 2.557 177.449 174.990 -0.165 0.000 1.215 233 C CA 1.115 60.078 59.018 -0.092 0.000 1.743 233 C CB -1.637 26.074 27.740 -0.049 0.000 2.044 233 C HN 0.586 nan 8.230 nan 0.000 0.464 234 L N 0.568 121.663 121.223 -0.213 0.000 2.056 234 L HA 0.009 3.786 4.340 -0.938 0.000 0.207 234 L C 2.370 179.135 176.870 -0.175 0.000 1.078 234 L CA 1.758 56.461 54.840 -0.228 0.000 0.749 234 L CB -0.627 41.279 42.059 -0.255 0.000 0.901 234 L HN 0.377 nan 8.230 nan 0.000 0.433 235 I N -1.124 119.413 120.570 -0.055 0.000 2.163 235 I HA -0.374 3.233 4.170 -0.938 0.000 0.243 235 I C 2.477 178.495 176.117 -0.166 0.000 1.085 235 I CA 1.388 62.652 61.300 -0.061 0.000 1.347 235 I CB -0.330 37.697 38.000 0.045 0.000 1.044 235 I HN 0.396 nan 8.210 nan 0.000 0.408 236 Q N -0.112 119.549 119.800 -0.232 0.000 2.084 236 Q HA -0.165 3.612 4.340 -0.938 0.000 0.202 236 Q C 2.224 177.676 176.000 -0.913 0.000 0.978 236 Q CA 2.048 57.578 55.803 -0.455 0.000 0.844 236 Q CB -0.237 28.297 28.738 -0.340 0.000 0.898 236 Q HN 0.507 nan 8.270 nan 0.000 0.426 237 T N 1.007 115.127 114.554 -0.724 0.000 2.674 237 T HA -0.142 3.646 4.350 -0.938 0.000 0.265 237 T C 2.104 176.612 174.700 -0.320 0.000 1.039 237 T CA 1.799 63.556 62.100 -0.573 0.000 1.150 237 T CB -0.422 68.299 68.868 -0.244 0.000 0.864 237 T HN 0.356 nan 8.240 nan 0.000 0.427 238 V N 1.055 120.832 119.914 -0.228 0.000 2.515 238 V HA -0.070 3.487 4.120 -0.938 0.000 0.250 238 V C 1.870 177.911 176.094 -0.088 0.000 1.058 238 V CA 1.578 63.801 62.300 -0.129 0.000 1.064 238 V CB -0.789 30.974 31.823 -0.099 0.000 0.675 238 V HN 0.404 nan 8.190 nan 0.000 0.461 239 N N 0.529 119.165 118.700 -0.106 0.000 2.512 239 N HA -0.138 4.039 4.740 -0.938 0.000 0.183 239 N C 1.823 177.327 175.510 -0.010 0.000 1.073 239 N CA 1.263 54.290 53.050 -0.039 0.000 0.911 239 N CB -0.007 38.465 38.487 -0.025 0.000 0.964 239 N HN 0.615 nan 8.380 nan 0.000 0.447 240 Q N 1.089 120.867 119.800 -0.036 0.000 2.291 240 Q HA 0.016 3.793 4.340 -0.938 0.000 0.205 240 Q C 0.883 176.933 176.000 0.083 0.000 0.970 240 Q CA 0.983 56.844 55.803 0.097 0.000 0.876 240 Q CB -0.264 28.610 28.738 0.227 0.000 0.935 240 Q HN 0.366 nan 8.270 nan 0.000 0.455 241 G N -1.840 106.976 108.800 0.027 0.000 2.553 241 G HA2 0.045 3.442 3.960 -0.938 0.000 0.242 241 G HA3 0.045 3.442 3.960 -0.938 0.000 0.242 241 G C 0.737 175.633 174.900 -0.006 0.000 1.277 241 G CA 0.212 45.318 45.100 0.011 0.000 0.910 241 G HN 1.288 nan 8.290 nan 0.000 0.576 242 G N -0.415 108.364 108.800 -0.034 0.000 2.556 242 G HA2 -0.032 3.365 3.960 -0.938 0.000 0.283 242 G HA3 -0.032 3.365 3.960 -0.938 0.000 0.283 242 G C 0.319 175.084 174.900 -0.224 0.000 1.177 242 G CA 1.360 46.398 45.100 -0.102 0.000 0.978 242 G HN 2.106 nan 8.290 nan 0.000 0.554 243 D N 2.109 122.380 120.400 -0.215 0.000 2.688 243 D HA 0.587 4.664 4.640 -0.938 0.000 0.228 243 D C 1.553 177.772 176.300 -0.135 0.000 1.116 243 D CA 1.122 54.970 54.000 -0.254 0.000 1.023 243 D CB -0.114 40.574 40.800 -0.186 0.000 1.100 243 D HN 0.822 nan 8.370 nan 0.000 0.487 244 A N 2.218 124.966 122.820 -0.119 0.000 2.014 244 A HA -0.139 3.618 4.320 -0.938 0.000 0.218 244 A C 1.885 179.428 177.584 -0.069 0.000 1.163 244 A CA 1.135 53.125 52.037 -0.078 0.000 0.652 244 A CB -0.146 18.811 19.000 -0.072 0.000 0.808 244 A HN 0.568 nan 8.150 nan 0.000 0.449 245 D N -0.741 119.630 120.400 -0.048 0.000 2.178 245 D HA -0.119 3.958 4.640 -0.938 0.000 0.202 245 D C 1.449 177.724 176.300 -0.043 0.000 0.974 245 D CA 1.824 55.804 54.000 -0.034 0.000 0.841 245 D CB -0.680 40.125 40.800 0.009 0.000 0.953 245 D HN 0.332 nan 8.370 nan 0.000 0.478 246 T N 0.459 114.984 114.554 -0.049 0.000 2.939 246 T HA -0.079 3.708 4.350 -0.938 0.000 0.254 246 T C 2.224 176.885 174.700 -0.066 0.000 1.041 246 T CA 1.939 64.006 62.100 -0.054 0.000 1.142 246 T CB -0.317 68.522 68.868 -0.049 0.000 0.874 246 T HN 0.429 nan 8.240 nan 0.000 0.452 247 T N 0.851 115.368 114.554 -0.061 0.000 2.720 247 T HA -0.057 3.731 4.350 -0.938 0.000 0.268 247 T C 2.313 176.964 174.700 -0.082 0.000 1.037 247 T CA 1.466 63.532 62.100 -0.057 0.000 1.144 247 T CB -1.214 67.641 68.868 -0.021 0.000 0.864 247 T HN 0.360 nan 8.240 nan 0.000 0.444 248 G N 1.609 110.356 108.800 -0.090 0.000 2.446 248 G HA2 -0.024 3.373 3.960 -0.938 0.000 0.217 248 G HA3 -0.024 3.373 3.960 -0.938 0.000 0.217 248 G C 1.969 176.808 174.900 -0.101 0.000 1.168 248 G CA 1.154 46.185 45.100 -0.115 0.000 0.771 248 G HN 0.778 nan 8.290 nan 0.000 0.551 249 A N 0.430 123.206 122.820 -0.074 0.000 1.908 249 A HA 0.069 3.826 4.320 -0.938 0.000 0.218 249 A C 2.473 180.011 177.584 -0.077 0.000 1.181 249 A CA 1.446 53.451 52.037 -0.053 0.000 0.627 249 A CB -0.412 18.561 19.000 -0.046 0.000 0.818 249 A HN 0.367 nan 8.150 nan 0.000 0.445 250 L N -1.038 120.122 121.223 -0.105 0.000 2.072 250 L HA -0.120 3.657 4.340 -0.938 0.000 0.205 250 L C 3.094 179.859 176.870 -0.175 0.000 1.079 250 L CA 0.878 55.632 54.840 -0.143 0.000 0.752 250 L CB -0.545 41.423 42.059 -0.151 0.000 0.906 250 L HN 0.430 nan 8.230 nan 0.000 0.436 251 A N 0.472 123.196 122.820 -0.159 0.000 1.902 251 A HA -0.142 3.615 4.320 -0.938 0.000 0.217 251 A C 2.398 179.878 177.584 -0.173 0.000 1.181 251 A CA 1.782 53.715 52.037 -0.173 0.000 0.623 251 A CB -1.259 17.654 19.000 -0.146 0.000 0.818 251 A HN 0.439 nan 8.150 nan 0.000 0.443 252 G N -0.685 108.034 108.800 -0.136 0.000 2.418 252 G HA2 -0.268 3.129 3.960 -0.938 0.000 0.217 252 G HA3 -0.268 3.129 3.960 -0.938 0.000 0.217 252 G C 1.652 176.632 174.900 0.135 0.000 1.158 252 G CA 1.251 46.348 45.100 -0.006 0.000 0.771 252 G HN 0.513 nan 8.290 nan 0.000 0.545 253 M N -0.110 119.492 119.600 0.004 0.000 2.065 253 M HA 0.001 3.918 4.480 -0.938 0.000 0.259 253 M C 2.514 178.763 176.300 -0.085 0.000 1.069 253 M CA 1.463 56.739 55.300 -0.040 0.000 1.110 253 M CB -0.219 32.306 32.600 -0.125 0.000 1.328 253 M HN 0.220 nan 8.290 nan 0.000 0.405 254 L N 0.001 121.093 121.223 -0.219 0.000 2.027 254 L HA -0.147 3.630 4.340 -0.938 0.000 0.206 254 L C 2.794 179.533 176.870 -0.217 0.000 1.074 254 L CA 1.277 55.866 54.840 -0.418 0.000 0.745 254 L CB -1.007 40.502 42.059 -0.917 0.000 0.898 254 L HN 0.428 nan 8.230 nan 0.000 0.433 255 A N 0.256 123.075 122.820 -0.002 0.000 1.898 255 A HA -0.095 3.662 4.320 -0.938 0.000 0.216 255 A C 2.394 180.278 177.584 0.501 0.000 1.181 255 A CA 1.605 53.849 52.037 0.345 0.000 0.620 255 A CB -1.237 17.937 19.000 0.290 0.000 0.819 255 A HN 0.441 nan 8.150 nan 0.000 0.442 256 G N -0.428 108.677 108.800 0.507 0.000 2.418 256 G HA2 -0.010 3.387 3.960 -0.938 0.000 0.217 256 G HA3 -0.010 3.387 3.960 -0.938 0.000 0.217 256 G C 1.698 176.693 174.900 0.158 0.000 1.158 256 G CA 1.405 46.730 45.100 0.375 0.000 0.771 256 G HN 0.802 nan 8.290 nan 0.000 0.545 257 A N 0.050 122.914 122.820 0.073 0.000 1.969 257 A HA 0.064 3.821 4.320 -0.938 0.000 0.218 257 A C 2.507 180.077 177.584 -0.023 0.000 1.169 257 A CA 2.304 54.343 52.037 0.003 0.000 0.635 257 A CB -0.567 18.407 19.000 -0.044 0.000 0.810 257 A HN 0.306 nan 8.150 nan 0.000 0.445 258 T N -1.597 112.912 114.554 -0.075 0.000 2.809 258 T HA -0.025 3.763 4.350 -0.938 0.000 0.260 258 T C 1.497 176.023 174.700 -0.290 0.000 1.039 258 T CA 1.556 63.504 62.100 -0.254 0.000 1.141 258 T CB -0.324 68.250 68.868 -0.489 0.000 0.869 258 T HN 0.572 nan 8.240 nan 0.000 0.437 259 Y N 1.041 121.428 120.300 0.145 0.000 2.509 259 Y HA 0.461 4.450 4.550 -0.935 0.000 0.270 259 Y C 1.576 177.512 175.900 0.059 0.000 1.103 259 Y CA -0.171 57.996 58.100 0.112 0.000 1.278 259 Y CB -0.121 38.438 38.460 0.164 0.000 1.087 259 Y HN 0.368 nan 8.280 nan 0.000 0.542 260 G N -0.004 108.889 108.800 0.154 0.000 2.690 260 G HA2 -0.210 3.187 3.960 -0.938 0.000 0.686 260 G HA3 -0.210 3.187 3.960 -0.938 0.000 0.686 260 G C 0.499 175.403 174.900 0.007 0.000 1.277 260 G CA -0.355 44.786 45.100 0.069 0.000 0.799 260 G HN 0.182 nan 8.290 nan 0.000 0.613 261 V N 0.338 120.236 119.914 -0.026 0.000 2.453 261 V HA -0.136 3.421 4.120 -0.938 0.000 0.252 261 V C 2.351 178.380 176.094 -0.109 0.000 1.068 261 V CA 3.102 65.352 62.300 -0.084 0.000 1.070 261 V CB -0.411 31.391 31.823 -0.035 0.000 0.664 261 V HN 0.746 nan 8.190 nan 0.000 0.461 262 D N -0.176 120.189 120.400 -0.057 0.000 2.310 262 D HA -0.090 3.987 4.640 -0.938 0.000 0.212 262 D C 1.454 177.702 176.300 -0.085 0.000 0.965 262 D CA 1.087 55.052 54.000 -0.059 0.000 0.879 262 D CB -0.184 40.602 40.800 -0.024 0.000 0.921 262 D HN 0.538 nan 8.370 nan 0.000 0.510 263 D N -0.373 119.971 120.400 -0.094 0.000 2.339 263 D HA 0.113 4.191 4.640 -0.938 0.000 0.217 263 D C 0.425 176.589 176.300 -0.225 0.000 1.050 263 D CA -0.052 53.890 54.000 -0.096 0.000 0.856 263 D CB 0.420 41.234 40.800 0.024 0.000 0.922 263 D HN 0.238 nan 8.370 nan 0.000 0.518 264 I N 2.060 122.392 120.570 -0.397 0.000 2.396 264 I HA 0.148 3.756 4.170 -0.938 0.000 0.289 264 I C -1.997 173.957 176.117 -0.272 0.000 1.056 264 I CA -1.959 59.020 61.300 -0.536 0.000 1.365 264 I CB 0.715 38.353 38.000 -0.604 0.000 1.407 264 I HN -0.313 nan 8.210 nan 0.000 0.509 265 P HA -0.048 nan 4.420 nan 0.000 0.261 265 P C 0.771 177.934 177.300 -0.229 0.000 1.183 265 P CA 0.184 63.030 63.100 -0.424 0.000 0.761 265 P CB 0.573 31.655 31.700 -1.030 0.000 0.785 266 S N 2.492 118.093 115.700 -0.165 0.000 2.399 266 S HA -0.127 3.780 4.470 -0.938 0.000 0.231 266 S C 2.158 176.736 174.600 -0.038 0.000 1.022 266 S CA 1.178 59.331 58.200 -0.079 0.000 0.983 266 S CB -1.350 61.809 63.200 -0.068 0.000 0.803 266 S HN 0.517 nan 8.310 nan 0.000 0.480 267 G N 0.089 108.838 108.800 -0.084 0.000 2.470 267 G HA2 -0.100 3.297 3.960 -0.938 0.000 0.220 267 G HA3 -0.100 3.297 3.960 -0.938 0.000 0.220 267 G C 1.027 176.028 174.900 0.168 0.000 1.121 267 G CA 0.692 45.790 45.100 -0.004 0.000 0.766 267 G HN 0.548 nan 8.290 nan 0.000 0.553 268 W N -0.361 120.936 121.300 -0.006 0.000 2.526 268 W HA 0.323 4.419 4.660 -0.939 0.000 0.294 268 W C 2.198 178.719 176.519 0.003 0.000 1.181 268 W CA -0.273 57.075 57.345 0.004 0.000 1.373 268 W CB -1.296 28.181 29.460 0.029 0.000 1.112 268 W HN 0.172 nan 8.180 nan 0.000 0.545 269 L N 1.583 122.948 121.223 0.237 0.000 2.083 269 L HA -0.196 3.581 4.340 -0.938 0.000 0.209 269 L C 2.547 179.463 176.870 0.077 0.000 1.083 269 L CA 2.533 57.445 54.840 0.120 0.000 0.752 269 L CB -1.129 40.959 42.059 0.047 0.000 0.899 269 L HN 0.000 nan 8.230 nan 0.000 0.433 270 S N -1.764 113.976 115.700 0.068 0.000 2.469 270 S HA -0.124 3.784 4.470 -0.938 0.000 0.238 270 S C 1.765 176.395 174.600 0.051 0.000 0.998 270 S CA 0.604 58.831 58.200 0.045 0.000 0.957 270 S CB -0.478 62.743 63.200 0.034 0.000 0.764 270 S HN 0.404 nan 8.310 nan 0.000 0.514 271 K N 0.903 121.347 120.400 0.073 0.000 2.400 271 K HA 0.324 4.081 4.320 -0.938 0.000 0.194 271 K C 0.557 177.183 176.600 0.043 0.000 1.033 271 K CA -0.124 56.199 56.287 0.060 0.000 1.021 271 K CB -0.382 32.163 32.500 0.074 0.000 0.808 271 K HN 0.465 nan 8.250 nan 0.000 0.505 272 L N 2.293 123.542 121.223 0.043 0.000 2.514 272 L HA -0.046 3.731 4.340 -0.938 0.000 0.280 272 L C 0.561 177.441 176.870 0.017 0.000 1.223 272 L CA -0.196 54.660 54.840 0.028 0.000 0.864 272 L CB 0.008 42.082 42.059 0.025 0.000 1.118 272 L HN 0.128 nan 8.230 nan 0.000 0.494 273 D N 2.333 122.740 120.400 0.012 0.000 2.493 273 D HA -0.094 3.983 4.640 -0.938 0.000 0.240 273 D C 1.105 177.406 176.300 0.001 0.000 1.142 273 D CA 0.167 54.172 54.000 0.007 0.000 0.872 273 D CB 0.822 41.626 40.800 0.007 0.000 1.173 273 D HN 0.492 nan 8.370 nan 0.000 0.467 274 M N 3.808 123.408 119.600 0.001 0.000 2.082 274 M HA -0.263 3.654 4.480 -0.938 0.000 0.258 274 M C 1.417 177.712 176.300 -0.010 0.000 1.069 274 M CA 1.717 57.015 55.300 -0.003 0.000 1.102 274 M CB 0.019 32.619 32.600 -0.000 0.000 1.336 274 M HN 0.406 nan 8.290 nan 0.000 0.404 275 K N -0.534 119.862 120.400 -0.007 0.000 2.057 275 K HA -0.109 3.648 4.320 -0.938 0.000 0.207 275 K C 1.820 178.407 176.600 -0.021 0.000 1.049 275 K CA 1.525 57.806 56.287 -0.010 0.000 0.931 275 K CB -0.296 32.203 32.500 -0.001 0.000 0.714 275 K HN 0.263 nan 8.250 nan 0.000 0.440 276 V N 1.682 121.585 119.914 -0.019 0.000 2.255 276 V HA -0.282 3.276 4.120 -0.938 0.000 0.247 276 V C 2.337 178.388 176.094 -0.071 0.000 1.051 276 V CA 2.002 64.280 62.300 -0.036 0.000 1.018 276 V CB -0.410 31.403 31.823 -0.016 0.000 0.641 276 V HN 0.400 nan 8.190 nan 0.000 0.445 277 E N -0.032 120.137 120.200 -0.052 0.000 2.085 277 E HA -0.295 3.493 4.350 -0.938 0.000 0.194 277 E C 2.444 178.999 176.600 -0.076 0.000 0.994 277 E CA 1.670 58.033 56.400 -0.062 0.000 0.801 277 E CB -0.122 29.560 29.700 -0.030 0.000 0.743 277 E HN 0.428 nan 8.360 nan 0.000 0.453 278 R N 0.166 120.633 120.500 -0.054 0.000 2.081 278 R HA -0.192 3.585 4.340 -0.938 0.000 0.235 278 R C 2.287 178.545 176.300 -0.071 0.000 1.131 278 R CA 1.782 57.853 56.100 -0.048 0.000 0.960 278 R CB -0.095 30.188 30.300 -0.028 0.000 0.856 278 R HN 0.073 nan 8.270 nan 0.000 0.436 279 E N 0.543 120.691 120.200 -0.087 0.000 2.106 279 E HA -0.126 3.661 4.350 -0.938 0.000 0.192 279 E C 1.727 178.201 176.600 -0.211 0.000 0.984 279 E CA 1.265 57.600 56.400 -0.108 0.000 0.806 279 E CB -0.137 29.513 29.700 -0.083 0.000 0.750 279 E HN 0.374 nan 8.360 nan 0.000 0.458 280 I N 0.153 120.535 120.570 -0.313 0.000 2.179 280 I HA -0.303 3.304 4.170 -0.938 0.000 0.242 280 I C 2.558 178.460 176.117 -0.357 0.000 1.088 280 I CA 1.350 62.297 61.300 -0.588 0.000 1.357 280 I CB -0.273 37.379 38.000 -0.580 0.000 1.051 280 I HN 0.081 nan 8.210 nan 0.000 0.409 281 R N 0.162 120.552 120.500 -0.183 0.000 2.083 281 R HA -0.196 3.581 4.340 -0.938 0.000 0.237 281 R C 2.484 178.759 176.300 -0.041 0.000 1.137 281 R CA 1.476 57.530 56.100 -0.078 0.000 0.951 281 R CB -0.423 29.860 30.300 -0.030 0.000 0.851 281 R HN 0.304 nan 8.270 nan 0.000 0.434 282 R N 1.052 121.522 120.500 -0.050 0.000 2.080 282 R HA -0.203 3.575 4.340 -0.938 0.000 0.236 282 R C 2.196 178.492 176.300 -0.007 0.000 1.137 282 R CA 1.900 57.989 56.100 -0.019 0.000 0.943 282 R CB -0.074 30.212 30.300 -0.023 0.000 0.846 282 R HN 0.353 nan 8.270 nan 0.000 0.431 283 Q N -0.356 119.419 119.800 -0.042 0.000 2.079 283 Q HA -0.118 3.659 4.340 -0.938 0.000 0.200 283 Q C 2.211 178.259 176.000 0.080 0.000 0.974 283 Q CA 1.590 57.406 55.803 0.021 0.000 0.840 283 Q CB 0.043 28.791 28.738 0.016 0.000 0.898 283 Q HN 0.229 nan 8.270 nan 0.000 0.430 284 V N 1.787 121.729 119.914 0.047 0.000 2.287 284 V HA -0.285 3.272 4.120 -0.938 0.000 0.248 284 V C 1.645 177.768 176.094 0.049 0.000 1.053 284 V CA 2.106 64.445 62.300 0.066 0.000 1.027 284 V CB -0.522 31.285 31.823 -0.026 0.000 0.646 284 V HN 0.327 nan 8.190 nan 0.000 0.447 285 D N 0.205 120.648 120.400 0.071 0.000 2.097 285 D HA -0.111 3.966 4.640 -0.938 0.000 0.195 285 D C 2.230 178.580 176.300 0.083 0.000 0.989 285 D CA 1.684 55.750 54.000 0.109 0.000 0.827 285 D CB -0.385 40.482 40.800 0.112 0.000 0.966 285 D HN 0.443 nan 8.370 nan 0.000 0.456 286 A N 0.576 123.438 122.820 0.071 0.000 1.902 286 A HA -0.104 3.653 4.320 -0.938 0.000 0.217 286 A C 2.397 180.032 177.584 0.086 0.000 1.181 286 A CA 0.914 52.992 52.037 0.070 0.000 0.623 286 A CB -0.706 18.331 19.000 0.061 0.000 0.818 286 A HN 0.203 nan 8.150 nan 0.000 0.443 287 L N -0.811 120.470 121.223 0.097 0.000 2.109 287 L HA -0.093 3.684 4.340 -0.938 0.000 0.207 287 L C 2.495 179.416 176.870 0.084 0.000 1.086 287 L CA 0.695 55.600 54.840 0.108 0.000 0.760 287 L CB -0.483 41.649 42.059 0.121 0.000 0.910 287 L HN 0.347 nan 8.230 nan 0.000 0.437 288 L N -0.266 120.997 121.223 0.067 0.000 2.083 288 L HA -0.188 3.589 4.340 -0.938 0.000 0.209 288 L C 2.883 179.789 176.870 0.060 0.000 1.083 288 L CA 1.078 55.949 54.840 0.051 0.000 0.752 288 L CB -0.651 41.445 42.059 0.061 0.000 0.899 288 L HN 0.248 nan 8.230 nan 0.000 0.433 289 A N -0.092 122.771 122.820 0.071 0.000 1.902 289 A HA -0.228 3.529 4.320 -0.938 0.000 0.217 289 A C 2.187 179.817 177.584 0.076 0.000 1.181 289 A CA 1.589 53.665 52.037 0.065 0.000 0.623 289 A CB -0.648 18.388 19.000 0.061 0.000 0.818 289 A HN 0.307 nan 8.150 nan 0.000 0.443 290 L N -0.195 121.088 121.223 0.100 0.000 2.017 290 L HA -0.066 3.711 4.340 -0.938 0.000 0.208 290 L C 2.727 179.710 176.870 0.188 0.000 1.073 290 L CA 2.170 57.097 54.840 0.145 0.000 0.745 290 L CB -0.862 41.309 42.059 0.186 0.000 0.894 290 L HN 0.356 nan 8.230 nan 0.000 0.432 291 A N -0.966 121.934 122.820 0.133 0.000 1.908 291 A HA 0.115 3.872 4.320 -0.938 0.000 0.218 291 A C 1.869 179.504 177.584 0.086 0.000 1.181 291 A CA 1.737 53.817 52.037 0.071 0.000 0.627 291 A CB -1.012 17.959 19.000 -0.048 0.000 0.818 291 A HN 0.998 nan 8.150 nan 0.000 0.445 292 G N -2.704 106.132 108.800 0.060 0.000 2.148 292 G HA2 -0.082 3.315 3.960 -0.938 0.000 0.157 292 G HA3 -0.082 3.315 3.960 -0.938 0.000 0.157 292 G C -0.045 174.869 174.900 0.023 0.000 1.012 292 G CA 0.092 45.218 45.100 0.042 0.000 0.677 292 G HN 0.488 nan 8.290 nan 0.000 0.506 293 L N 0.000 121.237 121.223 0.023 0.000 2.949 293 L HA 0.000 3.777 4.340 -0.938 0.000 0.249 293 L CA 0.000 54.852 54.840 0.020 0.000 0.813 293 L CB 0.000 42.058 42.059 -0.001 0.000 0.961 293 L HN 0.000 nan 8.230 nan 0.000 0.502