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 1u5w_1_E DATA FIRST_RESID 3 DATA SEQUENCE IMHQVVCATT NPAKIQAILQ AFHEIFGEGS CHIASVAVES GVPEQPFGSE DATA SEQUENCE ETRAGARNRV ANARRLLPEA DFWVAIEAGI DGDSTFSWVV IENASQRGEA DATA SEQUENCE RSATLPLPAV ILEKVREGEA LGPVMSRYTG IDEIGRKEGA IGVFTAGKLT DATA SEQUENCE RASVYHQAVI LALSPFHNAV YS 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 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 175.950 176.117 -0.278 0.000 1.063 3 I CA 0.000 61.183 61.300 -0.196 0.000 1.566 3 I CB 0.000 37.901 38.000 -0.164 0.000 1.214 4 M N 5.549 124.931 119.600 -0.365 0.000 2.221 4 M HA 0.382 4.862 4.480 -0.000 0.000 0.259 4 M C -0.749 175.371 176.300 -0.300 0.000 1.001 4 M CA -0.291 54.793 55.300 -0.361 0.000 1.009 4 M CB 2.313 34.659 32.600 -0.422 0.000 1.939 4 M HN 0.569 nan 8.290 nan 0.000 0.477 5 H N 0.355 119.405 119.070 -0.033 0.000 2.580 5 H HA 0.583 5.139 4.556 -0.000 0.000 0.324 5 H C -0.626 174.704 175.328 0.002 0.000 1.436 5 H CA -0.607 55.437 56.048 -0.007 0.000 1.464 5 H CB 1.139 30.883 29.762 -0.030 0.000 1.752 5 H HN 0.544 nan 8.280 nan 0.000 0.726 6 Q N 1.153 121.020 119.800 0.112 0.000 2.305 6 Q HA 0.465 4.805 4.340 -0.000 0.000 0.271 6 Q C -1.933 173.991 176.000 -0.127 0.000 1.046 6 Q CA -0.826 54.986 55.803 0.014 0.000 0.798 6 Q CB 2.427 31.182 28.738 0.028 0.000 1.286 6 Q HN 0.436 nan 8.270 nan 0.000 0.435 7 V N 4.814 124.618 119.914 -0.183 0.000 2.448 7 V HA 0.572 4.691 4.120 -0.000 0.000 0.295 7 V C -1.177 174.776 176.094 -0.235 0.000 1.025 7 V CA -0.382 61.726 62.300 -0.321 0.000 0.859 7 V CB 1.722 33.198 31.823 -0.578 0.000 0.988 7 V HN 0.650 nan 8.190 nan 0.000 0.431 8 V N 6.571 126.347 119.914 -0.231 0.000 2.383 8 V HA 0.353 4.473 4.120 -0.000 0.000 0.275 8 V C 0.073 176.162 176.094 -0.008 0.000 1.036 8 V CA -0.389 61.870 62.300 -0.068 0.000 0.889 8 V CB 1.164 33.025 31.823 0.063 0.000 0.985 8 V HN 1.001 nan 8.190 nan 0.000 0.459 9 C N 4.975 124.275 119.300 0.001 0.000 2.239 9 C HA 0.560 5.020 4.460 -0.000 0.000 0.323 9 C C 1.246 176.268 174.990 0.053 0.000 1.205 9 C CA -0.882 58.148 59.018 0.020 0.000 1.584 9 C CB 0.104 27.839 27.740 -0.008 0.000 2.201 9 C HN 0.965 nan 8.230 nan 0.000 0.475 10 A N 3.661 126.530 122.820 0.080 0.000 3.004 10 A HA 0.456 4.775 4.320 -0.000 0.000 0.252 10 A C 0.614 178.227 177.584 0.048 0.000 1.802 10 A CA 0.607 52.689 52.037 0.074 0.000 1.424 10 A CB -0.411 18.642 19.000 0.088 0.000 1.005 10 A HN 0.913 nan 8.150 nan 0.000 0.631 11 T N -1.749 112.828 114.554 0.038 0.000 2.831 11 T HA 0.380 4.730 4.350 -0.000 0.000 0.333 11 T C 0.458 175.174 174.700 0.027 0.000 1.684 11 T CA 0.362 62.479 62.100 0.029 0.000 1.049 11 T CB 0.884 69.767 68.868 0.026 0.000 1.518 11 T HN 0.655 nan 8.240 nan 0.000 0.491 12 T N -0.191 114.379 114.554 0.026 0.000 3.040 12 T HA 0.321 4.671 4.350 -0.000 0.000 0.266 12 T C 0.482 175.198 174.700 0.026 0.000 1.005 12 T CA -0.348 61.766 62.100 0.023 0.000 0.906 12 T CB -0.166 68.714 68.868 0.020 0.000 1.082 12 T HN 0.511 nan 8.240 nan 0.000 0.531 13 N N 3.517 122.237 118.700 0.033 0.000 2.405 13 N HA 0.137 4.877 4.740 -0.000 0.000 0.260 13 N C -1.405 174.133 175.510 0.046 0.000 1.152 13 N CA -1.725 51.351 53.050 0.044 0.000 0.948 13 N CB 1.709 40.233 38.487 0.062 0.000 1.111 13 N HN 0.099 nan 8.380 nan 0.000 0.485 14 P HA -0.180 nan 4.420 nan 0.000 0.216 14 P C 0.911 178.238 177.300 0.044 0.000 1.150 14 P CA 1.252 64.371 63.100 0.031 0.000 0.843 14 P CB 0.179 31.891 31.700 0.021 0.000 0.787 15 A N 0.545 123.400 122.820 0.057 0.000 1.933 15 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 15 A C 2.270 179.933 177.584 0.132 0.000 1.175 15 A CA 1.788 53.869 52.037 0.074 0.000 0.628 15 A CB -1.016 18.023 19.000 0.065 0.000 0.814 15 A HN 0.180 nan 8.150 nan 0.000 0.444 16 K N -0.479 120.013 120.400 0.153 0.000 2.097 16 K HA -0.023 4.297 4.320 -0.000 0.000 0.205 16 K C 1.757 178.414 176.600 0.095 0.000 1.050 16 K CA 1.117 57.498 56.287 0.158 0.000 0.938 16 K CB -0.255 32.300 32.500 0.091 0.000 0.718 16 K HN 0.380 nan 8.250 nan 0.000 0.442 17 I N 1.732 122.338 120.570 0.059 0.000 2.226 17 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 17 I C 2.545 178.677 176.117 0.025 0.000 1.100 17 I CA 1.519 62.834 61.300 0.026 0.000 1.374 17 I CB -1.093 36.914 38.000 0.012 0.000 1.057 17 I HN 0.338 nan 8.210 nan 0.000 0.413 18 Q N 0.676 120.499 119.800 0.039 0.000 2.050 18 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 18 Q C 2.348 178.386 176.000 0.064 0.000 0.980 18 Q CA 2.194 58.016 55.803 0.032 0.000 0.840 18 Q CB 0.039 28.795 28.738 0.030 0.000 0.898 18 Q HN 0.503 nan 8.270 nan 0.000 0.424 19 A N 0.886 123.776 122.820 0.117 0.000 1.902 19 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 19 A C 1.937 179.623 177.584 0.170 0.000 1.181 19 A CA 1.253 53.404 52.037 0.190 0.000 0.623 19 A CB -0.553 18.597 19.000 0.251 0.000 0.818 19 A HN 0.408 nan 8.150 nan 0.000 0.443 20 I N -0.232 120.412 120.570 0.123 0.000 2.142 20 I HA -0.220 3.950 4.170 -0.000 0.000 0.240 20 I C 2.543 178.750 176.117 0.150 0.000 1.078 20 I CA 1.146 62.533 61.300 0.146 0.000 1.343 20 I CB -1.439 36.610 38.000 0.082 0.000 1.046 20 I HN 0.339 nan 8.210 nan 0.000 0.405 21 L N 0.271 121.496 121.223 0.002 0.000 2.012 21 L HA -0.301 4.039 4.340 -0.000 0.000 0.210 21 L C 2.762 179.517 176.870 -0.193 0.000 1.073 21 L CA 1.744 56.485 54.840 -0.166 0.000 0.748 21 L CB -0.354 41.580 42.059 -0.210 0.000 0.891 21 L HN 0.390 nan 8.230 nan 0.000 0.431 22 Q N -0.677 119.111 119.800 -0.020 0.000 2.084 22 Q HA -0.241 4.098 4.340 -0.000 0.000 0.202 22 Q C 2.108 178.217 176.000 0.183 0.000 0.978 22 Q CA 1.801 57.657 55.803 0.088 0.000 0.844 22 Q CB -0.066 28.738 28.738 0.111 0.000 0.898 22 Q HN 0.621 nan 8.270 nan 0.000 0.426 23 A N 0.028 122.953 122.820 0.175 0.000 1.877 23 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 23 A C 1.770 179.283 177.584 -0.118 0.000 1.186 23 A CA 1.260 53.276 52.037 -0.036 0.000 0.620 23 A CB -0.981 17.917 19.000 -0.171 0.000 0.822 23 A HN 0.493 nan 8.150 nan 0.000 0.443 24 F N -0.553 119.322 119.950 -0.124 0.000 2.171 24 F HA -0.181 4.346 4.527 -0.000 0.000 0.300 24 F C 2.550 178.380 175.800 0.050 0.000 1.090 24 F CA 1.797 59.745 58.000 -0.087 0.000 1.293 24 F CB -0.329 38.609 39.000 -0.104 0.000 1.013 24 F HN 0.296 nan 8.300 nan 0.000 0.486 25 H N 0.028 119.189 119.070 0.151 0.000 2.321 25 H HA -0.129 4.427 4.556 -0.000 0.000 0.300 25 H C 2.109 177.446 175.328 0.015 0.000 1.087 25 H CA 1.627 57.727 56.048 0.087 0.000 1.319 25 H CB -0.603 29.199 29.762 0.066 0.000 1.379 25 H HN 0.346 nan 8.280 nan 0.000 0.501 26 E N -0.495 119.772 120.200 0.112 0.000 2.106 26 E HA -0.096 4.253 4.350 -0.000 0.000 0.192 26 E C 1.933 178.445 176.600 -0.147 0.000 0.984 26 E CA 0.565 56.964 56.400 -0.002 0.000 0.806 26 E CB 0.197 29.910 29.700 0.022 0.000 0.750 26 E HN 0.277 nan 8.360 nan 0.000 0.458 27 I N -0.511 119.871 120.570 -0.313 0.000 2.400 27 I HA -0.112 4.058 4.170 -0.000 0.000 0.248 27 I C 1.602 177.353 176.117 -0.610 0.000 1.109 27 I CA 1.385 62.294 61.300 -0.651 0.000 1.425 27 I CB -0.527 36.821 38.000 -1.087 0.000 1.094 27 I HN 0.090 nan 8.210 nan 0.000 0.425 28 F N 0.623 120.514 119.950 -0.098 0.000 2.704 28 F HA 0.460 4.987 4.527 -0.000 0.000 0.304 28 F C 1.103 176.916 175.800 0.021 0.000 1.094 28 F CA 0.258 58.246 58.000 -0.020 0.000 1.275 28 F CB 0.536 39.556 39.000 0.034 0.000 1.073 28 F HN 0.152 nan 8.300 nan 0.000 0.586 29 G N 1.652 110.545 108.800 0.154 0.000 2.770 29 G HA2 -0.158 3.801 3.960 -0.000 0.000 0.686 29 G HA3 -0.158 3.801 3.960 -0.000 0.000 0.686 29 G C -1.034 173.887 174.900 0.034 0.000 1.180 29 G CA -1.060 44.088 45.100 0.081 0.000 0.767 29 G HN 0.150 nan 8.290 nan 0.000 0.646 30 E N 0.081 120.196 120.200 -0.142 0.000 2.338 30 E HA 0.587 4.937 4.350 -0.000 0.000 0.272 30 E C 0.784 177.183 176.600 -0.334 0.000 1.029 30 E CA 0.626 56.702 56.400 -0.540 0.000 0.872 30 E CB 0.856 30.284 29.700 -0.453 0.000 1.015 30 E HN 1.557 nan 8.360 nan 0.000 0.417 31 G N 1.716 110.293 108.800 -0.372 0.000 2.349 31 G HA2 0.159 4.119 3.960 -0.000 0.000 0.294 31 G HA3 0.159 4.119 3.960 -0.000 0.000 0.294 31 G C -1.156 173.716 174.900 -0.048 0.000 1.380 31 G CA -0.751 44.271 45.100 -0.131 0.000 0.811 31 G HN 0.467 nan 8.290 nan 0.000 0.519 32 S N -1.212 114.454 115.700 -0.058 0.000 2.585 32 S HA 0.640 5.110 4.470 -0.000 0.000 0.273 32 S C 0.325 174.869 174.600 -0.094 0.000 1.339 32 S CA 0.493 58.649 58.200 -0.073 0.000 1.028 32 S CB 0.399 63.532 63.200 -0.112 0.000 0.906 32 S HN 1.915 nan 8.310 nan 0.000 0.528 33 C N 1.445 120.659 119.300 -0.142 0.000 3.197 33 C HA 0.458 4.917 4.460 -0.000 0.000 0.343 33 C C -1.592 173.259 174.990 -0.232 0.000 1.291 33 C CA -1.059 57.852 59.018 -0.177 0.000 1.191 33 C CB 0.313 28.022 27.740 -0.052 0.000 1.444 33 C HN 0.845 nan 8.230 nan 0.000 0.468 34 H N 1.508 120.551 119.070 -0.045 0.000 2.517 34 H HA 0.579 5.135 4.556 -0.000 0.000 0.317 34 H C -0.275 175.013 175.328 -0.068 0.000 1.080 34 H CA -0.202 55.818 56.048 -0.046 0.000 1.301 34 H CB 1.358 31.095 29.762 -0.041 0.000 1.425 34 H HN 0.562 nan 8.280 nan 0.000 0.471 35 I N 2.651 123.258 120.570 0.063 0.000 2.354 35 I HA 0.204 4.374 4.170 -0.000 0.000 0.286 35 I C 0.494 176.616 176.117 0.007 0.000 1.007 35 I CA -0.737 60.557 61.300 -0.009 0.000 1.167 35 I CB 0.805 38.788 38.000 -0.030 0.000 1.320 35 I HN 0.494 nan 8.210 nan 0.000 0.458 36 A N 4.779 127.594 122.820 -0.009 0.000 2.366 36 A HA 0.409 4.729 4.320 -0.000 0.000 0.322 36 A C 0.343 177.933 177.584 0.010 0.000 1.397 36 A CA -0.283 51.757 52.037 0.005 0.000 0.984 36 A CB 0.314 19.321 19.000 0.011 0.000 1.149 36 A HN 0.633 nan 8.150 nan 0.000 0.540 37 S N 2.604 118.311 115.700 0.012 0.000 2.399 37 S HA 0.476 4.946 4.470 -0.000 0.000 0.301 37 S C -0.638 173.976 174.600 0.024 0.000 1.093 37 S CA -0.373 57.837 58.200 0.017 0.000 1.077 37 S CB 0.274 63.482 63.200 0.013 0.000 0.980 37 S HN 1.122 nan 8.310 nan 0.000 0.494 38 V N 5.098 125.032 119.914 0.034 0.000 2.638 38 V HA 0.825 4.945 4.120 -0.000 0.000 0.306 38 V C -0.179 175.936 176.094 0.035 0.000 1.052 38 V CA -0.699 61.622 62.300 0.035 0.000 0.885 38 V CB 1.698 33.549 31.823 0.046 0.000 0.999 38 V HN 1.010 nan 8.190 nan 0.000 0.424 39 A N 6.561 129.397 122.820 0.027 0.000 2.309 39 A HA 0.740 5.060 4.320 -0.000 0.000 0.290 39 A C -0.240 177.358 177.584 0.022 0.000 1.206 39 A CA 0.142 52.193 52.037 0.024 0.000 0.850 39 A CB 0.510 19.522 19.000 0.019 0.000 1.118 39 A HN 1.727 nan 8.150 nan 0.000 0.523 40 V N 0.072 119.999 119.914 0.023 0.000 3.158 40 V HA 0.752 4.872 4.120 -0.000 0.000 0.311 40 V C -0.278 175.824 176.094 0.014 0.000 1.181 40 V CA -1.121 61.189 62.300 0.017 0.000 1.054 40 V CB 1.280 33.114 31.823 0.019 0.000 1.085 40 V HN 0.693 nan 8.190 nan 0.000 0.446 41 E N 0.875 121.080 120.200 0.008 0.000 2.373 41 E HA 0.437 4.787 4.350 -0.000 0.000 0.263 41 E C 0.969 177.574 176.600 0.007 0.000 1.073 41 E CA 0.754 57.158 56.400 0.007 0.000 0.894 41 E CB 1.545 31.246 29.700 0.002 0.000 1.008 41 E HN 0.943 nan 8.360 nan 0.000 0.420 42 S N 1.157 116.863 115.700 0.009 0.000 2.514 42 S HA 0.207 4.677 4.470 -0.000 0.000 0.223 42 S C 1.494 176.097 174.600 0.005 0.000 1.046 42 S CA 0.369 58.574 58.200 0.009 0.000 0.914 42 S CB 0.224 63.433 63.200 0.014 0.000 0.807 42 S HN 0.818 nan 8.310 nan 0.000 0.497 43 G N 0.915 109.719 108.800 0.006 0.000 2.159 43 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.256 43 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.256 43 G C 0.185 175.090 174.900 0.009 0.000 0.977 43 G CA 0.609 45.711 45.100 0.004 0.000 0.652 43 G HN 1.704 nan 8.290 nan 0.000 0.531 44 V N -3.512 116.412 119.914 0.016 0.000 3.141 44 V HA 0.953 5.072 4.120 -0.000 0.000 0.312 44 V C -2.033 174.082 176.094 0.036 0.000 1.157 44 V CA -1.991 60.325 62.300 0.027 0.000 1.041 44 V CB 1.754 33.596 31.823 0.032 0.000 1.071 44 V HN 0.190 nan 8.190 nan 0.000 0.441 45 P HA 0.071 nan 4.420 nan 0.000 0.267 45 P C 0.673 178.009 177.300 0.060 0.000 1.200 45 P CA 0.278 63.414 63.100 0.061 0.000 0.772 45 P CB 0.831 32.583 31.700 0.087 0.000 0.855 46 E N 0.879 121.110 120.200 0.052 0.000 2.187 46 E HA -0.232 4.117 4.350 -0.000 0.000 0.199 46 E C 0.312 176.935 176.600 0.039 0.000 1.004 46 E CA 1.128 57.552 56.400 0.040 0.000 0.813 46 E CB 0.178 29.901 29.700 0.038 0.000 0.736 46 E HN 0.343 nan 8.360 nan 0.000 0.468 47 Q N 0.846 120.691 119.800 0.075 0.000 2.523 47 Q HA 0.267 4.607 4.340 -0.000 0.000 0.251 47 Q C -2.501 173.574 176.000 0.123 0.000 1.033 47 Q CA -2.142 53.696 55.803 0.059 0.000 0.746 47 Q CB 1.797 30.598 28.738 0.106 0.000 1.189 47 Q HN 0.219 nan 8.270 nan 0.000 0.508 48 P HA 0.243 nan 4.420 nan 0.000 0.275 48 P C -0.770 176.544 177.300 0.024 0.000 1.228 48 P CA -0.160 63.002 63.100 0.104 0.000 0.786 48 P CB 0.614 32.339 31.700 0.041 0.000 0.927 49 F N 0.745 120.722 119.950 0.046 0.000 2.520 49 F HA 0.599 5.125 4.527 -0.000 0.000 0.322 49 F C 0.976 176.857 175.800 0.135 0.000 1.103 49 F CA 0.158 58.206 58.000 0.080 0.000 0.926 49 F CB 1.767 40.805 39.000 0.062 0.000 1.154 49 F HN 0.695 nan 8.300 nan 0.000 0.453 50 G N 1.384 110.390 108.800 0.343 0.000 2.767 50 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.686 50 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.686 50 G C 0.600 175.777 174.900 0.460 0.000 1.213 50 G CA -0.291 45.015 45.100 0.344 0.000 0.803 50 G HN 1.147 nan 8.290 nan 0.000 0.603 51 S N 0.004 116.020 115.700 0.527 0.000 2.423 51 S HA -0.080 4.390 4.470 -0.000 0.000 0.231 51 S C 1.720 176.561 174.600 0.402 0.000 1.014 51 S CA 1.713 60.360 58.200 0.745 0.000 0.965 51 S CB -0.012 63.536 63.200 0.579 0.000 0.785 51 S HN 0.754 nan 8.310 nan 0.000 0.495 52 E N 1.708 122.034 120.200 0.209 0.000 2.023 52 E HA -0.213 4.136 4.350 -0.000 0.000 0.196 52 E C 2.109 178.714 176.600 0.008 0.000 1.003 52 E CA 1.785 58.212 56.400 0.046 0.000 0.809 52 E CB -0.430 29.305 29.700 0.058 0.000 0.755 52 E HN 0.861 nan 8.360 nan 0.000 0.449 53 E N -0.585 119.665 120.200 0.084 0.000 2.106 53 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 53 E C 1.962 178.595 176.600 0.055 0.000 0.984 53 E CA 1.619 58.059 56.400 0.066 0.000 0.806 53 E CB 0.011 29.779 29.700 0.113 0.000 0.750 53 E HN 0.108 nan 8.360 nan 0.000 0.458 54 T N 0.584 115.212 114.554 0.123 0.000 2.720 54 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 54 T C 1.829 176.570 174.700 0.069 0.000 1.037 54 T CA 1.453 63.639 62.100 0.144 0.000 1.144 54 T CB -0.247 68.811 68.868 0.317 0.000 0.864 54 T HN 0.175 nan 8.240 nan 0.000 0.444 55 R N 0.594 120.982 120.500 -0.188 0.000 2.096 55 R HA -0.019 4.321 4.340 -0.000 0.000 0.235 55 R C 2.613 178.759 176.300 -0.256 0.000 1.127 55 R CA 1.294 57.055 56.100 -0.566 0.000 0.968 55 R CB -0.395 29.138 30.300 -1.278 0.000 0.861 55 R HN 0.382 nan 8.270 nan 0.000 0.440 56 A N 0.166 122.885 122.820 -0.169 0.000 1.933 56 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 56 A C 2.295 179.851 177.584 -0.046 0.000 1.175 56 A CA 1.716 53.696 52.037 -0.095 0.000 0.628 56 A CB -1.089 17.875 19.000 -0.060 0.000 0.814 56 A HN 0.563 nan 8.150 nan 0.000 0.444 57 G N -0.562 108.225 108.800 -0.021 0.000 2.418 57 G HA2 0.009 3.969 3.960 -0.000 0.000 0.217 57 G HA3 0.009 3.969 3.960 -0.000 0.000 0.217 57 G C 1.733 176.638 174.900 0.009 0.000 1.158 57 G CA 1.438 46.539 45.100 0.002 0.000 0.771 57 G HN 0.780 nan 8.290 nan 0.000 0.545 58 A N 0.789 123.620 122.820 0.018 0.000 1.873 58 A HA 0.037 4.357 4.320 -0.000 0.000 0.215 58 A C 2.435 180.039 177.584 0.034 0.000 1.186 58 A CA 1.580 53.644 52.037 0.045 0.000 0.616 58 A CB -0.391 18.668 19.000 0.098 0.000 0.823 58 A HN 0.339 nan 8.150 nan 0.000 0.442 59 R N -0.175 120.324 120.500 -0.001 0.000 2.083 59 R HA -0.150 4.189 4.340 -0.000 0.000 0.237 59 R C 2.089 178.388 176.300 -0.003 0.000 1.137 59 R CA 1.811 57.910 56.100 -0.002 0.000 0.951 59 R CB -0.525 29.750 30.300 -0.041 0.000 0.851 59 R HN 0.705 nan 8.270 nan 0.000 0.434 60 N N 0.166 118.859 118.700 -0.012 0.000 2.069 60 N HA -0.160 4.580 4.740 -0.000 0.000 0.191 60 N C 1.806 177.312 175.510 -0.006 0.000 1.031 60 N CA 0.954 53.995 53.050 -0.014 0.000 0.852 60 N CB -0.070 38.409 38.487 -0.013 0.000 1.018 60 N HN 0.183 nan 8.380 nan 0.000 0.423 61 R N 0.621 121.127 120.500 0.011 0.000 2.105 61 R HA -0.082 4.258 4.340 -0.000 0.000 0.239 61 R C 2.169 178.489 176.300 0.032 0.000 1.135 61 R CA 0.885 56.998 56.100 0.022 0.000 0.967 61 R CB -0.474 29.847 30.300 0.035 0.000 0.861 61 R HN 0.131 nan 8.270 nan 0.000 0.442 62 V N 1.027 120.969 119.914 0.046 0.000 2.343 62 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 62 V C 2.475 178.547 176.094 -0.038 0.000 1.051 62 V CA 1.946 64.288 62.300 0.069 0.000 1.036 62 V CB -0.635 31.255 31.823 0.111 0.000 0.654 62 V HN 0.401 nan 8.190 nan 0.000 0.451 63 A N 0.222 123.007 122.820 -0.059 0.000 1.902 63 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 63 A C 2.034 179.538 177.584 -0.133 0.000 1.181 63 A CA 2.338 54.304 52.037 -0.119 0.000 0.623 63 A CB -0.819 18.132 19.000 -0.080 0.000 0.818 63 A HN 0.682 nan 8.150 nan 0.000 0.443 64 N N -0.038 118.617 118.700 -0.074 0.000 2.142 64 N HA -0.035 4.705 4.740 -0.000 0.000 0.186 64 N C 1.960 177.435 175.510 -0.059 0.000 1.023 64 N CA 1.105 54.121 53.050 -0.058 0.000 0.852 64 N CB -0.258 38.214 38.487 -0.024 0.000 0.998 64 N HN 0.480 nan 8.380 nan 0.000 0.424 65 A N 1.416 124.218 122.820 -0.030 0.000 1.902 65 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 65 A C 2.084 179.626 177.584 -0.070 0.000 1.181 65 A CA 1.472 53.529 52.037 0.033 0.000 0.623 65 A CB -0.546 18.544 19.000 0.150 0.000 0.818 65 A HN 0.238 nan 8.150 nan 0.000 0.443 66 R N -0.003 120.250 120.500 -0.411 0.000 2.096 66 R HA -0.130 4.210 4.340 -0.000 0.000 0.235 66 R C 2.281 178.303 176.300 -0.464 0.000 1.127 66 R CA 1.874 57.372 56.100 -1.004 0.000 0.968 66 R CB -0.373 29.181 30.300 -1.244 0.000 0.861 66 R HN 0.538 nan 8.270 nan 0.000 0.440 67 R N 0.200 120.540 120.500 -0.266 0.000 2.090 67 R HA -0.027 4.312 4.340 -0.000 0.000 0.228 67 R C 1.946 178.204 176.300 -0.069 0.000 1.110 67 R CA 1.444 57.455 56.100 -0.150 0.000 0.973 67 R CB -0.207 30.026 30.300 -0.112 0.000 0.869 67 R HN 0.331 nan 8.270 nan 0.000 0.440 68 L N 0.250 121.451 121.223 -0.037 0.000 2.109 68 L HA 0.002 4.342 4.340 -0.000 0.000 0.207 68 L C 0.877 177.778 176.870 0.051 0.000 1.086 68 L CA 0.757 55.603 54.840 0.010 0.000 0.760 68 L CB 0.061 42.133 42.059 0.022 0.000 0.910 68 L HN 0.171 nan 8.230 nan 0.000 0.437 69 L N 0.964 122.253 121.223 0.112 0.000 2.594 69 L HA 0.224 4.564 4.340 -0.000 0.000 0.245 69 L C -1.519 175.548 176.870 0.327 0.000 1.460 69 L CA -0.934 54.023 54.840 0.194 0.000 0.865 69 L CB 1.066 43.262 42.059 0.229 0.000 1.131 69 L HN -0.136 nan 8.230 nan 0.000 0.506 70 P HA -0.159 nan 4.420 nan 0.000 0.222 70 P C 0.658 178.151 177.300 0.322 0.000 1.147 70 P CA 1.168 64.393 63.100 0.207 0.000 0.790 70 P CB 0.492 32.224 31.700 0.054 0.000 0.780 71 E N -0.235 120.095 120.200 0.215 0.000 2.502 71 E HA 0.156 4.506 4.350 -0.000 0.000 0.194 71 E C 1.204 177.859 176.600 0.091 0.000 1.062 71 E CA -0.084 56.398 56.400 0.138 0.000 0.867 71 E CB -0.355 29.388 29.700 0.072 0.000 0.888 71 E HN 0.241 nan 8.360 nan 0.000 0.510 72 A N 1.343 124.229 122.820 0.110 0.000 2.327 72 A HA 0.053 4.373 4.320 -0.000 0.000 0.255 72 A C 0.878 178.172 177.584 -0.484 0.000 1.099 72 A CA -0.119 51.809 52.037 -0.182 0.000 0.801 72 A CB 0.434 19.256 19.000 -0.296 0.000 1.062 72 A HN -0.068 nan 8.150 nan 0.000 0.496 73 D N -0.939 119.160 120.400 -0.502 0.000 2.216 73 D HA 0.149 4.789 4.640 -0.000 0.000 0.208 73 D C -0.507 175.225 176.300 -0.948 0.000 0.960 73 D CA 1.396 55.062 54.000 -0.556 0.000 0.861 73 D CB 0.140 40.794 40.800 -0.243 0.000 0.985 73 D HN 0.427 nan 8.370 nan 0.000 0.493 74 F N -0.964 118.422 119.950 -0.941 0.000 2.626 74 F HA 0.373 4.900 4.527 -0.000 0.000 0.311 74 F C -0.889 174.350 175.800 -0.934 0.000 1.088 74 F CA -1.074 56.448 58.000 -0.797 0.000 0.949 74 F CB 2.080 40.825 39.000 -0.425 0.000 1.322 74 F HN -0.196 nan 8.300 nan 0.000 0.461 75 W N 2.873 124.286 121.300 0.189 0.000 2.781 75 W HA 0.676 5.336 4.660 -0.000 0.000 0.333 75 W C -1.450 175.152 176.519 0.140 0.000 1.047 75 W CA -1.050 56.361 57.345 0.109 0.000 1.236 75 W CB 1.625 31.128 29.460 0.072 0.000 1.394 75 W HN 0.389 nan 8.180 nan 0.000 0.466 76 V N 1.592 121.664 119.914 0.264 0.000 2.932 76 V HA 0.936 5.055 4.120 -0.000 0.000 0.307 76 V C -1.432 174.752 176.094 0.150 0.000 1.147 76 V CA -0.598 61.831 62.300 0.215 0.000 0.951 76 V CB 1.628 33.577 31.823 0.211 0.000 1.031 76 V HN 0.665 nan 8.190 nan 0.000 0.426 77 A N 6.065 128.965 122.820 0.132 0.000 2.469 77 A HA 0.982 5.302 4.320 -0.000 0.000 0.299 77 A C -1.363 176.253 177.584 0.053 0.000 1.098 77 A CA -0.722 51.365 52.037 0.083 0.000 0.737 77 A CB 1.942 20.991 19.000 0.082 0.000 1.312 77 A HN 1.029 nan 8.150 nan 0.000 0.414 78 I N 1.374 121.940 120.570 -0.008 0.000 2.503 78 I HA 0.372 4.542 4.170 -0.000 0.000 0.282 78 I C -0.572 175.487 176.117 -0.096 0.000 1.059 78 I CA -0.170 61.070 61.300 -0.099 0.000 1.081 78 I CB 1.110 38.943 38.000 -0.278 0.000 1.210 78 I HN 0.852 nan 8.210 nan 0.000 0.450 79 E N 4.518 124.704 120.200 -0.024 0.000 2.151 79 E HA 0.716 5.066 4.350 -0.000 0.000 0.275 79 E C -0.549 176.024 176.600 -0.044 0.000 0.936 79 E CA -0.417 55.977 56.400 -0.010 0.000 0.777 79 E CB 1.738 31.465 29.700 0.047 0.000 1.108 79 E HN 0.710 nan 8.360 nan 0.000 0.401 80 A N 3.186 125.956 122.820 -0.083 0.000 2.310 80 A HA 0.816 5.136 4.320 -0.000 0.000 0.299 80 A C 0.194 177.633 177.584 -0.242 0.000 1.147 80 A CA 0.247 52.197 52.037 -0.144 0.000 0.818 80 A CB 1.080 20.049 19.000 -0.050 0.000 1.096 80 A HN 0.674 nan 8.150 nan 0.000 0.495 81 G N -0.060 108.436 108.800 -0.506 0.000 2.660 81 G HA2 0.572 4.532 3.960 -0.000 0.000 0.290 81 G HA3 0.572 4.532 3.960 -0.000 0.000 0.290 81 G C -1.222 173.226 174.900 -0.753 0.000 1.432 81 G CA -0.592 44.176 45.100 -0.552 0.000 0.807 81 G HN 0.677 nan 8.290 nan 0.000 0.485 82 I N -0.167 120.065 120.570 -0.564 0.000 2.797 82 I HA 0.593 4.762 4.170 -0.000 0.000 0.307 82 I C -1.261 174.811 176.117 -0.074 0.000 1.033 82 I CA -0.647 60.430 61.300 -0.372 0.000 1.071 82 I CB 2.537 40.239 38.000 -0.496 0.000 1.255 82 I HN 0.544 nan 8.210 nan 0.000 0.445 83 D N 2.626 123.134 120.400 0.181 0.000 2.548 83 D HA 0.451 5.091 4.640 -0.000 0.000 0.214 83 D C 0.134 176.541 176.300 0.178 0.000 1.345 83 D CA 0.696 54.859 54.000 0.272 0.000 0.945 83 D CB 1.004 42.071 40.800 0.445 0.000 1.499 83 D HN 0.794 nan 8.370 nan 0.000 0.579 84 G N 4.347 113.239 108.800 0.153 0.000 4.766 84 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.314 84 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.314 84 G C 0.372 175.320 174.900 0.079 0.000 1.427 84 G CA 0.774 45.937 45.100 0.105 0.000 1.024 84 G HN 0.956 nan 8.290 nan 0.000 0.754 85 D N -0.132 120.303 120.400 0.059 0.000 2.783 85 D HA 0.392 5.032 4.640 -0.000 0.000 0.306 85 D C 0.284 176.598 176.300 0.023 0.000 1.633 85 D CA 1.061 55.078 54.000 0.028 0.000 0.796 85 D CB -0.169 40.635 40.800 0.008 0.000 1.230 85 D HN 1.394 nan 8.370 nan 0.000 0.441 86 S N -1.032 114.706 115.700 0.063 0.000 2.556 86 S HA 0.636 5.105 4.470 -0.000 0.000 0.271 86 S C -0.742 173.945 174.600 0.146 0.000 1.135 86 S CA -0.558 57.695 58.200 0.089 0.000 0.858 86 S CB 2.566 65.825 63.200 0.098 0.000 1.114 86 S HN 0.004 nan 8.310 nan 0.000 0.468 87 T N 1.343 115.970 114.554 0.120 0.000 2.945 87 T HA 0.863 5.213 4.350 -0.000 0.000 0.286 87 T C -0.968 173.835 174.700 0.172 0.000 1.025 87 T CA -0.583 61.541 62.100 0.040 0.000 1.039 87 T CB 0.262 69.117 68.868 -0.021 0.000 1.068 87 T HN 1.117 nan 8.240 nan 0.000 0.497 88 F N -0.524 119.437 119.950 0.019 0.000 3.122 88 F HA 0.795 5.322 4.527 -0.000 0.000 0.325 88 F C -1.210 174.617 175.800 0.044 0.000 1.162 88 F CA -1.135 56.879 58.000 0.023 0.000 0.876 88 F CB 0.815 39.789 39.000 -0.043 0.000 1.429 88 F HN 0.479 nan 8.300 nan 0.000 0.484 89 S N -0.790 115.026 115.700 0.193 0.000 2.564 89 S HA 0.498 4.968 4.470 -0.000 0.000 0.274 89 S C -2.284 172.358 174.600 0.071 0.000 1.124 89 S CA -0.568 57.657 58.200 0.041 0.000 0.869 89 S CB 1.730 64.874 63.200 -0.092 0.000 1.105 89 S HN 0.664 nan 8.310 nan 0.000 0.472 90 W N 1.408 122.752 121.300 0.073 0.000 2.529 90 W HA 0.653 5.312 4.660 -0.000 0.000 0.321 90 W C -0.547 175.977 176.519 0.008 0.000 1.047 90 W CA -0.494 56.904 57.345 0.089 0.000 1.216 90 W CB 1.471 30.999 29.460 0.113 0.000 1.357 90 W HN 0.447 nan 8.180 nan 0.000 0.489 91 V N 6.256 126.355 119.914 0.307 0.000 2.417 91 V HA 0.730 4.850 4.120 -0.000 0.000 0.291 91 V C -1.296 174.967 176.094 0.282 0.000 1.024 91 V CA -0.670 61.747 62.300 0.195 0.000 0.861 91 V CB 1.396 33.271 31.823 0.087 0.000 0.985 91 V HN 0.269 nan 8.190 nan 0.000 0.436 92 V N 8.053 128.102 119.914 0.225 0.000 2.588 92 V HA 0.601 4.721 4.120 -0.000 0.000 0.304 92 V C -0.324 175.917 176.094 0.245 0.000 1.042 92 V CA -0.439 61.998 62.300 0.228 0.000 0.877 92 V CB 1.749 33.673 31.823 0.169 0.000 0.996 92 V HN 0.786 nan 8.190 nan 0.000 0.425 93 I N 3.734 124.491 120.570 0.311 0.000 2.582 93 I HA 0.614 4.784 4.170 -0.000 0.000 0.292 93 I C -0.501 175.926 176.117 0.516 0.000 1.066 93 I CA -0.484 61.041 61.300 0.374 0.000 1.053 93 I CB 2.508 40.699 38.000 0.319 0.000 1.241 93 I HN 0.579 nan 8.210 nan 0.000 0.421 94 E N 4.254 124.755 120.200 0.502 0.000 2.340 94 E HA 0.409 4.759 4.350 -0.000 0.000 0.273 94 E C -1.360 175.531 176.600 0.485 0.000 0.891 94 E CA -0.738 55.992 56.400 0.550 0.000 0.757 94 E CB 3.090 33.054 29.700 0.441 0.000 1.231 94 E HN 0.790 nan 8.360 nan 0.000 0.439 95 N N -0.021 118.893 118.700 0.356 0.000 3.379 95 N HA 0.552 5.292 4.740 -0.000 0.000 0.350 95 N C 0.776 176.419 175.510 0.221 0.000 1.553 95 N CA -0.385 52.614 53.050 -0.086 0.000 0.712 95 N CB 0.758 38.840 38.487 -0.676 0.000 1.880 95 N HN 0.318 nan 8.380 nan 0.000 0.648 96 A N -0.103 122.752 122.820 0.058 0.000 1.917 96 A HA -0.206 4.113 4.320 -0.000 0.000 0.219 96 A C 1.999 179.650 177.584 0.111 0.000 1.182 96 A CA 2.802 54.913 52.037 0.125 0.000 0.633 96 A CB -1.222 17.794 19.000 0.028 0.000 0.819 96 A HN 0.753 nan 8.150 nan 0.000 0.448 97 S N -2.929 112.830 115.700 0.098 0.000 2.589 97 S HA 0.297 4.766 4.470 -0.000 0.000 0.235 97 S C 0.612 175.264 174.600 0.088 0.000 1.051 97 S CA -0.381 57.867 58.200 0.080 0.000 0.978 97 S CB 0.147 63.377 63.200 0.049 0.000 0.929 97 S HN 0.605 nan 8.310 nan 0.000 0.523 98 Q N 0.451 120.342 119.800 0.151 0.000 2.378 98 Q HA 0.642 4.982 4.340 -0.000 0.000 0.276 98 Q C -1.100 175.017 176.000 0.195 0.000 1.083 98 Q CA -0.946 54.891 55.803 0.058 0.000 0.856 98 Q CB 1.998 30.597 28.738 -0.231 0.000 1.383 98 Q HN 0.295 nan 8.270 nan 0.000 0.458 99 R N -0.527 119.991 120.500 0.030 0.000 2.574 99 R HA 0.637 4.977 4.340 -0.000 0.000 0.288 99 R C -1.442 174.897 176.300 0.064 0.000 1.004 99 R CA -0.343 55.875 56.100 0.196 0.000 0.895 99 R CB 1.689 32.072 30.300 0.137 0.000 1.191 99 R HN 0.758 nan 8.270 nan 0.000 0.444 100 G N 2.665 111.654 108.800 0.314 0.000 2.590 100 G HA2 0.483 4.443 3.960 -0.000 0.000 0.310 100 G HA3 0.483 4.443 3.960 -0.000 0.000 0.310 100 G C -1.285 173.773 174.900 0.264 0.000 1.347 100 G CA -0.401 44.837 45.100 0.230 0.000 0.963 100 G HN 0.575 nan 8.290 nan 0.000 0.494 101 E N -0.155 120.176 120.200 0.218 0.000 2.317 101 E HA 0.715 5.065 4.350 -0.000 0.000 0.270 101 E C -0.749 176.052 176.600 0.335 0.000 0.885 101 E CA -0.960 55.632 56.400 0.320 0.000 0.760 101 E CB 2.730 32.636 29.700 0.343 0.000 1.227 101 E HN 0.788 nan 8.360 nan 0.000 0.434 102 A N 2.225 125.239 122.820 0.324 0.000 2.555 102 A HA 0.501 4.821 4.320 -0.000 0.000 0.297 102 A C -1.301 176.081 177.584 -0.338 0.000 1.060 102 A CA -0.701 51.352 52.037 0.027 0.000 0.710 102 A CB 1.485 20.487 19.000 0.003 0.000 1.282 102 A HN 0.565 nan 8.150 nan 0.000 0.399 103 R N 1.449 121.478 120.500 -0.786 0.000 2.357 103 R HA 0.548 4.888 4.340 -0.000 0.000 0.296 103 R C 0.675 176.735 176.300 -0.401 0.000 1.052 103 R CA 0.430 55.933 56.100 -0.996 0.000 0.988 103 R CB 0.860 30.393 30.300 -1.278 0.000 1.025 103 R HN 1.022 nan 8.270 nan 0.000 0.469 104 S N 3.033 118.605 115.700 -0.213 0.000 2.624 104 S HA 0.431 4.901 4.470 -0.000 0.000 0.263 104 S C 0.243 174.820 174.600 -0.037 0.000 1.287 104 S CA -0.554 57.624 58.200 -0.037 0.000 0.990 104 S CB 1.254 64.534 63.200 0.133 0.000 0.950 104 S HN 0.753 nan 8.310 nan 0.000 0.561 105 A N 1.391 124.213 122.820 0.003 0.000 2.448 105 A HA 0.510 4.830 4.320 -0.000 0.000 0.239 105 A C 0.917 178.526 177.584 0.042 0.000 1.080 105 A CA 0.056 52.090 52.037 -0.005 0.000 0.779 105 A CB -0.672 18.331 19.000 0.006 0.000 1.026 105 A HN 1.251 nan 8.150 nan 0.000 0.499 106 T N -0.758 113.811 114.554 0.024 0.000 2.929 106 T HA 0.543 4.893 4.350 -0.000 0.000 0.284 106 T C -0.494 174.246 174.700 0.067 0.000 1.014 106 T CA -0.604 61.543 62.100 0.078 0.000 1.051 106 T CB 1.110 69.997 68.868 0.032 0.000 1.028 106 T HN 1.025 nan 8.240 nan 0.000 0.485 107 L N 3.784 125.062 121.223 0.092 0.000 2.316 107 L HA 0.540 4.880 4.340 -0.000 0.000 0.280 107 L C -2.631 174.269 176.870 0.049 0.000 1.006 107 L CA -2.280 52.603 54.840 0.072 0.000 0.836 107 L CB 1.417 43.535 42.059 0.098 0.000 1.221 107 L HN 0.463 nan 8.230 nan 0.000 0.418 108 P HA 0.156 nan 4.420 nan 0.000 0.271 108 P C -1.061 176.180 177.300 -0.098 0.000 1.216 108 P CA 0.023 63.104 63.100 -0.032 0.000 0.771 108 P CB 1.043 32.715 31.700 -0.046 0.000 0.864 109 L N 4.795 125.954 121.223 -0.107 0.000 2.330 109 L HA 0.517 4.856 4.340 -0.000 0.000 0.271 109 L C -2.128 174.605 176.870 -0.228 0.000 1.013 109 L CA -2.651 52.072 54.840 -0.196 0.000 0.816 109 L CB 1.534 43.547 42.059 -0.076 0.000 1.287 109 L HN 0.180 nan 8.230 nan 0.000 0.435 110 P HA 0.094 nan 4.420 nan 0.000 0.271 110 P C 0.104 177.321 177.300 -0.138 0.000 1.218 110 P CA -0.177 62.777 63.100 -0.243 0.000 0.780 110 P CB 0.997 32.520 31.700 -0.295 0.000 0.901 111 A N 2.714 125.479 122.820 -0.092 0.000 1.940 111 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 111 A C 2.084 179.639 177.584 -0.048 0.000 1.176 111 A CA 1.929 53.936 52.037 -0.051 0.000 0.631 111 A CB -1.594 17.386 19.000 -0.034 0.000 0.814 111 A HN 0.400 nan 8.150 nan 0.000 0.446 112 V N 0.598 120.474 119.914 -0.063 0.000 2.252 112 V HA -0.307 3.813 4.120 -0.000 0.000 0.249 112 V C 2.449 178.498 176.094 -0.074 0.000 1.056 112 V CA 2.134 64.399 62.300 -0.057 0.000 1.022 112 V CB -0.646 31.139 31.823 -0.063 0.000 0.641 112 V HN 0.559 nan 8.190 nan 0.000 0.445 113 I N -0.969 119.529 120.570 -0.121 0.000 2.252 113 I HA -0.162 4.008 4.170 -0.000 0.000 0.245 113 I C 2.380 178.471 176.117 -0.044 0.000 1.102 113 I CA 1.380 62.614 61.300 -0.111 0.000 1.385 113 I CB -1.176 36.754 38.000 -0.117 0.000 1.064 113 I HN 0.288 nan 8.210 nan 0.000 0.414 114 L N 1.000 122.200 121.223 -0.038 0.000 2.081 114 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 114 L C 2.575 179.464 176.870 0.031 0.000 1.080 114 L CA 1.847 56.687 54.840 -0.000 0.000 0.754 114 L CB -0.635 41.422 42.059 -0.003 0.000 0.893 114 L HN 0.297 nan 8.230 nan 0.000 0.433 115 E N -1.299 118.911 120.200 0.017 0.000 2.072 115 E HA -0.186 4.164 4.350 -0.000 0.000 0.190 115 E C 2.076 178.699 176.600 0.037 0.000 0.982 115 E CA 0.574 56.992 56.400 0.030 0.000 0.803 115 E CB 0.105 29.816 29.700 0.017 0.000 0.755 115 E HN 0.205 nan 8.360 nan 0.000 0.453 116 K N 0.438 120.853 120.400 0.024 0.000 2.063 116 K HA -0.136 4.184 4.320 -0.000 0.000 0.208 116 K C 2.272 178.901 176.600 0.048 0.000 1.048 116 K CA 1.525 57.831 56.287 0.031 0.000 0.928 116 K CB -0.398 32.114 32.500 0.021 0.000 0.713 116 K HN 0.299 nan 8.250 nan 0.000 0.442 117 V N -1.241 118.706 119.914 0.055 0.000 2.488 117 V HA 0.001 4.121 4.120 -0.000 0.000 0.246 117 V C 1.987 178.174 176.094 0.155 0.000 1.046 117 V CA 1.066 63.417 62.300 0.085 0.000 1.053 117 V CB -0.621 31.235 31.823 0.055 0.000 0.679 117 V HN 0.108 nan 8.190 nan 0.000 0.458 118 R N 2.077 122.673 120.500 0.161 0.000 2.386 118 R HA 0.018 4.358 4.340 -0.000 0.000 0.216 118 R C 1.106 177.462 176.300 0.093 0.000 1.119 118 R CA 0.856 57.074 56.100 0.197 0.000 1.158 118 R CB -0.239 30.165 30.300 0.174 0.000 1.057 118 R HN 0.913 nan 8.270 nan 0.000 0.489 119 E N -2.310 117.939 120.200 0.080 0.000 3.254 119 E HA 0.179 4.529 4.350 -0.000 0.000 0.184 119 E C 0.477 177.103 176.600 0.044 0.000 0.967 119 E CA 0.153 56.580 56.400 0.045 0.000 1.311 119 E CB 0.842 30.563 29.700 0.036 0.000 1.071 119 E HN 0.201 nan 8.360 nan 0.000 0.456 120 G N 1.178 110.016 108.800 0.063 0.000 2.561 120 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.203 120 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.203 120 G C -0.104 174.838 174.900 0.069 0.000 1.101 120 G CA -0.142 44.992 45.100 0.057 0.000 0.711 120 G HN 0.305 nan 8.290 nan 0.000 0.511 121 E N 1.660 121.898 120.200 0.064 0.000 2.384 121 E HA 0.531 4.881 4.350 -0.000 0.000 0.266 121 E C 0.631 177.270 176.600 0.065 0.000 1.012 121 E CA 0.140 56.575 56.400 0.057 0.000 0.901 121 E CB 1.203 30.932 29.700 0.049 0.000 0.967 121 E HN 0.772 nan 8.360 nan 0.000 0.435 122 A N 2.627 125.478 122.820 0.051 0.000 2.304 122 A HA 0.106 4.426 4.320 -0.000 0.000 0.271 122 A C 0.827 178.423 177.584 0.020 0.000 1.091 122 A CA -0.523 51.537 52.037 0.037 0.000 0.812 122 A CB 0.471 19.489 19.000 0.030 0.000 1.056 122 A HN 0.709 nan 8.150 nan 0.000 0.489 123 L N 2.487 123.706 121.223 -0.006 0.000 2.013 123 L HA -0.082 4.258 4.340 -0.000 0.000 0.212 123 L C 2.376 179.251 176.870 0.009 0.000 1.073 123 L CA 2.946 57.782 54.840 -0.008 0.000 0.753 123 L CB -1.054 40.982 42.059 -0.037 0.000 0.890 123 L HN 0.874 nan 8.230 nan 0.000 0.432 124 G N 0.090 108.895 108.800 0.008 0.000 2.587 124 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.217 124 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.217 124 G C -0.590 174.323 174.900 0.022 0.000 1.240 124 G CA 1.084 46.193 45.100 0.014 0.000 0.794 124 G HN 0.445 nan 8.290 nan 0.000 0.580 125 P HA -0.101 nan 4.420 nan 0.000 0.215 125 P C 2.204 179.531 177.300 0.045 0.000 1.157 125 P CA 1.445 64.564 63.100 0.032 0.000 0.868 125 P CB -0.395 31.323 31.700 0.030 0.000 0.788 126 V N -0.269 119.673 119.914 0.047 0.000 2.324 126 V HA -0.229 3.891 4.120 -0.000 0.000 0.250 126 V C 2.398 178.549 176.094 0.096 0.000 1.060 126 V CA 2.055 64.391 62.300 0.062 0.000 1.042 126 V CB -1.099 30.749 31.823 0.042 0.000 0.650 126 V HN -0.048 nan 8.190 nan 0.000 0.450 127 M N -0.692 118.954 119.600 0.076 0.000 2.394 127 M HA -0.049 4.431 4.480 -0.000 0.000 0.264 127 M C 2.311 178.670 176.300 0.100 0.000 1.073 127 M CA 1.528 56.891 55.300 0.105 0.000 1.111 127 M CB -1.151 31.471 32.600 0.038 0.000 1.401 127 M HN 0.438 nan 8.290 nan 0.000 0.448 128 S N 1.172 116.909 115.700 0.062 0.000 2.338 128 S HA -0.138 4.332 4.470 -0.000 0.000 0.218 128 S C 1.846 176.470 174.600 0.040 0.000 1.032 128 S CA 1.472 59.694 58.200 0.036 0.000 0.999 128 S CB -0.207 63.008 63.200 0.025 0.000 0.905 128 S HN 0.550 nan 8.310 nan 0.000 0.439 129 R N 0.108 120.644 120.500 0.060 0.000 2.090 129 R HA -0.049 4.291 4.340 -0.000 0.000 0.228 129 R C 2.174 178.513 176.300 0.065 0.000 1.110 129 R CA 1.459 57.589 56.100 0.051 0.000 0.973 129 R CB -0.924 29.409 30.300 0.056 0.000 0.869 129 R HN 0.459 nan 8.270 nan 0.000 0.440 130 Y N 2.646 122.947 120.300 0.003 0.000 2.241 130 Y HA -0.188 4.362 4.550 -0.000 0.000 0.286 130 Y C 1.514 177.409 175.900 -0.008 0.000 1.166 130 Y CA 1.989 60.095 58.100 0.010 0.000 1.203 130 Y CB -0.027 38.450 38.460 0.028 0.000 0.977 130 Y HN 0.027 nan 8.280 nan 0.000 0.529 131 T N -1.729 112.756 114.554 -0.116 0.000 2.990 131 T HA 0.270 4.620 4.350 -0.000 0.000 0.249 131 T C 1.428 176.052 174.700 -0.126 0.000 1.039 131 T CA 0.635 62.616 62.100 -0.198 0.000 1.036 131 T CB 0.126 68.928 68.868 -0.109 0.000 0.994 131 T HN 0.488 nan 8.240 nan 0.000 0.489 132 G N 1.921 110.679 108.800 -0.069 0.000 2.176 132 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.253 132 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.253 132 G C 0.229 175.106 174.900 -0.038 0.000 0.979 132 G CA 0.097 45.167 45.100 -0.050 0.000 0.641 132 G HN 0.621 nan 8.290 nan 0.000 0.530 133 I N 2.251 122.799 120.570 -0.038 0.000 2.313 133 I HA 0.300 4.470 4.170 -0.000 0.000 0.286 133 I C -0.381 175.725 176.117 -0.018 0.000 1.091 133 I CA -0.915 60.366 61.300 -0.032 0.000 1.216 133 I CB 0.006 37.980 38.000 -0.043 0.000 1.434 133 I HN 0.003 nan 8.210 nan 0.000 0.487 134 D N 7.622 128.014 120.400 -0.012 0.000 2.548 134 D HA -0.082 4.557 4.640 -0.000 0.000 0.231 134 D C 0.521 176.819 176.300 -0.003 0.000 1.142 134 D CA 0.787 54.784 54.000 -0.004 0.000 0.866 134 D CB 0.550 41.348 40.800 -0.003 0.000 1.190 134 D HN 0.507 nan 8.370 nan 0.000 0.469 135 E N 0.543 120.745 120.200 0.003 0.000 2.297 135 E HA -0.257 4.093 4.350 -0.000 0.000 0.228 135 E C 1.081 177.681 176.600 -0.000 0.000 1.213 135 E CA 0.108 56.511 56.400 0.005 0.000 0.712 135 E CB -1.514 28.189 29.700 0.006 0.000 1.202 135 E HN 0.616 nan 8.360 nan 0.000 0.376 136 I N -0.349 120.218 120.570 -0.005 0.000 2.248 136 I HA -0.253 3.917 4.170 -0.000 0.000 0.248 136 I C 2.193 178.301 176.117 -0.015 0.000 1.107 136 I CA 2.059 63.348 61.300 -0.017 0.000 1.373 136 I CB -0.149 37.837 38.000 -0.025 0.000 1.055 136 I HN 0.358 nan 8.210 nan 0.000 0.418 137 G N 0.216 109.016 108.800 0.000 0.000 2.422 137 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 137 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 137 G C 1.674 176.589 174.900 0.025 0.000 1.146 137 G CA 0.365 45.474 45.100 0.015 0.000 0.769 137 G HN 0.362 nan 8.290 nan 0.000 0.547 138 R N 0.028 120.541 120.500 0.021 0.000 2.285 138 R HA 0.078 4.417 4.340 -0.000 0.000 0.213 138 R C 1.347 177.655 176.300 0.013 0.000 1.068 138 R CA 0.718 56.832 56.100 0.024 0.000 1.004 138 R CB 0.029 30.339 30.300 0.018 0.000 0.873 138 R HN 0.350 nan 8.270 nan 0.000 0.467 139 K N -0.208 120.190 120.400 -0.002 0.000 2.989 139 K HA 0.162 4.482 4.320 -0.000 0.000 0.260 139 K C 1.202 177.780 176.600 -0.036 0.000 0.982 139 K CA -0.608 55.669 56.287 -0.017 0.000 1.553 139 K CB 0.274 32.760 32.500 -0.023 0.000 3.152 139 K HN -0.134 nan 8.250 nan 0.000 0.970 140 E N 0.778 120.948 120.200 -0.051 0.000 2.274 140 E HA 0.023 4.373 4.350 -0.000 0.000 0.194 140 E C 0.630 177.174 176.600 -0.093 0.000 0.996 140 E CA 0.513 56.868 56.400 -0.074 0.000 0.840 140 E CB -0.051 29.607 29.700 -0.070 0.000 0.772 140 E HN 0.628 nan 8.360 nan 0.000 0.491 141 G N 0.807 109.561 108.800 -0.076 0.000 2.796 141 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.226 141 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.226 141 G C 0.704 175.541 174.900 -0.105 0.000 1.381 141 G CA -0.128 44.926 45.100 -0.076 0.000 0.867 141 G HN 0.312 nan 8.290 nan 0.000 0.552 142 A N -0.884 121.882 122.820 -0.090 0.000 2.070 142 A HA 0.142 4.462 4.320 -0.000 0.000 0.220 142 A C 2.491 180.023 177.584 -0.088 0.000 1.159 142 A CA 2.242 54.194 52.037 -0.141 0.000 0.656 142 A CB -0.298 18.705 19.000 0.005 0.000 0.800 142 A HN 0.805 nan 8.150 nan 0.000 0.453 143 I N -0.056 120.485 120.570 -0.048 0.000 2.179 143 I HA -0.185 3.985 4.170 -0.000 0.000 0.242 143 I C 2.661 178.751 176.117 -0.044 0.000 1.088 143 I CA 1.622 62.908 61.300 -0.023 0.000 1.357 143 I CB -1.850 36.100 38.000 -0.084 0.000 1.051 143 I HN 0.354 nan 8.210 nan 0.000 0.409 144 G N 0.862 109.610 108.800 -0.087 0.000 2.432 144 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.219 144 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.219 144 G C 1.825 176.665 174.900 -0.100 0.000 1.135 144 G CA 1.301 46.351 45.100 -0.083 0.000 0.767 144 G HN 0.397 nan 8.290 nan 0.000 0.550 145 V N -2.380 117.419 119.914 -0.191 0.000 2.346 145 V HA 0.181 4.300 4.120 -0.000 0.000 0.244 145 V C 2.380 178.351 176.094 -0.205 0.000 1.037 145 V CA 1.267 63.402 62.300 -0.276 0.000 1.029 145 V CB -0.839 30.685 31.823 -0.499 0.000 0.663 145 V HN 0.272 nan 8.190 nan 0.000 0.454 146 F N 2.183 122.149 119.950 0.027 0.000 2.661 146 F HA 0.050 4.577 4.527 -0.000 0.000 0.298 146 F C 2.341 178.147 175.800 0.010 0.000 1.137 146 F CA 0.945 58.959 58.000 0.024 0.000 1.454 146 F CB -0.115 38.895 39.000 0.017 0.000 1.103 146 F HN 0.395 nan 8.300 nan 0.000 0.577 147 T N -2.519 112.118 114.554 0.138 0.000 3.069 147 T HA 0.513 4.862 4.350 -0.000 0.000 0.252 147 T C 0.959 175.687 174.700 0.047 0.000 1.053 147 T CA 0.216 62.364 62.100 0.080 0.000 0.964 147 T CB 0.197 69.092 68.868 0.045 0.000 1.005 147 T HN 0.233 nan 8.240 nan 0.000 0.532 148 A N 0.577 123.422 122.820 0.042 0.000 2.578 148 A HA 0.197 4.517 4.320 -0.000 0.000 0.298 148 A C 1.719 179.302 177.584 -0.001 0.000 1.472 148 A CA 0.762 52.810 52.037 0.019 0.000 0.734 148 A CB -2.347 16.671 19.000 0.030 0.000 1.091 148 A HN 2.133 nan 8.150 nan 0.000 0.426 149 G N -0.901 107.888 108.800 -0.017 0.000 2.186 149 G HA2 -0.389 3.570 3.960 -0.000 0.000 0.266 149 G HA3 -0.389 3.570 3.960 -0.000 0.000 0.266 149 G C 0.881 175.770 174.900 -0.019 0.000 0.982 149 G CA 1.301 46.386 45.100 -0.025 0.000 0.670 149 G HN 0.988 nan 8.290 nan 0.000 0.533 150 K N -0.841 119.553 120.400 -0.010 0.000 2.296 150 K HA 0.309 4.629 4.320 -0.000 0.000 0.200 150 K C 1.269 177.860 176.600 -0.014 0.000 1.048 150 K CA 0.641 56.923 56.287 -0.008 0.000 0.966 150 K CB 0.222 32.723 32.500 0.002 0.000 0.754 150 K HN 0.534 nan 8.250 nan 0.000 0.466 151 L N -0.424 120.787 121.223 -0.019 0.000 2.376 151 L HA 0.351 4.691 4.340 -0.000 0.000 0.258 151 L C -0.352 176.486 176.870 -0.054 0.000 1.013 151 L CA -0.597 54.224 54.840 -0.031 0.000 0.822 151 L CB 2.582 44.627 42.059 -0.022 0.000 1.388 151 L HN -0.199 nan 8.230 nan 0.000 0.413 152 T N -0.966 113.541 114.554 -0.077 0.000 2.887 152 T HA 0.380 4.730 4.350 -0.000 0.000 0.292 152 T C 0.769 175.350 174.700 -0.198 0.000 1.087 152 T CA -0.714 61.319 62.100 -0.112 0.000 1.009 152 T CB 2.281 71.095 68.868 -0.089 0.000 1.203 152 T HN 0.480 nan 8.240 nan 0.000 0.518 153 R N 0.588 120.922 120.500 -0.277 0.000 2.081 153 R HA -0.066 4.273 4.340 -0.000 0.000 0.235 153 R C 2.536 178.475 176.300 -0.601 0.000 1.131 153 R CA 1.445 57.177 56.100 -0.613 0.000 0.960 153 R CB -0.581 29.400 30.300 -0.531 0.000 0.856 153 R HN 0.679 nan 8.270 nan 0.000 0.436 154 A N 1.445 124.129 122.820 -0.226 0.000 1.865 154 A HA -0.237 4.082 4.320 -0.000 0.000 0.217 154 A C 2.311 179.900 177.584 0.008 0.000 1.191 154 A CA 2.237 54.251 52.037 -0.040 0.000 0.623 154 A CB -0.788 18.205 19.000 -0.011 0.000 0.826 154 A HN 0.475 nan 8.150 nan 0.000 0.444 155 S N 0.079 115.754 115.700 -0.041 0.000 2.382 155 S HA -0.166 4.303 4.470 -0.000 0.000 0.228 155 S C 1.872 176.505 174.600 0.056 0.000 1.027 155 S CA 1.821 60.020 58.200 -0.000 0.000 0.991 155 S CB -1.397 61.782 63.200 -0.035 0.000 0.823 155 S HN 1.150 nan 8.310 nan 0.000 0.469 156 V N -1.933 117.968 119.914 -0.020 0.000 2.407 156 V HA -0.006 4.114 4.120 -0.000 0.000 0.245 156 V C 2.318 178.506 176.094 0.156 0.000 1.041 156 V CA 1.004 63.318 62.300 0.023 0.000 1.040 156 V CB -1.553 30.240 31.823 -0.050 0.000 0.671 156 V HN 0.357 nan 8.190 nan 0.000 0.455 157 Y N 1.441 121.774 120.300 0.055 0.000 2.224 157 Y HA -0.135 4.414 4.550 -0.000 0.000 0.289 157 Y C 2.850 178.781 175.900 0.052 0.000 1.146 157 Y CA 1.412 59.540 58.100 0.048 0.000 1.182 157 Y CB -1.489 37.002 38.460 0.052 0.000 0.983 157 Y HN 0.537 nan 8.280 nan 0.000 0.524 158 H N 0.641 119.806 119.070 0.159 0.000 2.319 158 H HA -0.186 4.370 4.556 -0.000 0.000 0.297 158 H C 1.687 177.039 175.328 0.042 0.000 1.097 158 H CA 2.124 58.217 56.048 0.076 0.000 1.285 158 H CB 0.052 29.838 29.762 0.040 0.000 1.368 158 H HN 0.427 nan 8.280 nan 0.000 0.495 159 Q N 0.005 119.793 119.800 -0.018 0.000 2.084 159 Q HA -0.090 4.250 4.340 -0.000 0.000 0.202 159 Q C 2.580 178.521 176.000 -0.099 0.000 0.978 159 Q CA 1.159 56.907 55.803 -0.093 0.000 0.844 159 Q CB -0.112 28.642 28.738 0.026 0.000 0.898 159 Q HN 0.566 nan 8.270 nan 0.000 0.426 160 A N 0.365 123.171 122.820 -0.024 0.000 1.933 160 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 160 A C 2.320 179.874 177.584 -0.050 0.000 1.175 160 A CA 1.253 53.273 52.037 -0.028 0.000 0.628 160 A CB -0.559 18.447 19.000 0.011 0.000 0.814 160 A HN 0.203 nan 8.150 nan 0.000 0.444 161 V N 0.494 120.367 119.914 -0.069 0.000 2.307 161 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 161 V C 2.435 178.420 176.094 -0.182 0.000 1.045 161 V CA 1.564 63.812 62.300 -0.088 0.000 1.024 161 V CB -0.650 31.137 31.823 -0.061 0.000 0.651 161 V HN 0.497 nan 8.190 nan 0.000 0.449 162 I N -0.136 120.270 120.570 -0.274 0.000 2.163 162 I HA -0.261 3.909 4.170 -0.000 0.000 0.243 162 I C 2.396 178.418 176.117 -0.158 0.000 1.085 162 I CA 1.970 63.097 61.300 -0.287 0.000 1.347 162 I CB -0.951 36.847 38.000 -0.337 0.000 1.044 162 I HN 0.292 nan 8.210 nan 0.000 0.408 163 L N 0.524 121.681 121.223 -0.109 0.000 2.046 163 L HA -0.167 4.172 4.340 -0.000 0.000 0.208 163 L C 2.645 179.500 176.870 -0.024 0.000 1.077 163 L CA 1.382 56.193 54.840 -0.050 0.000 0.747 163 L CB -0.638 41.398 42.059 -0.039 0.000 0.896 163 L HN 0.187 nan 8.230 nan 0.000 0.432 164 A N -0.857 121.959 122.820 -0.006 0.000 2.121 164 A HA -0.103 4.216 4.320 -0.000 0.000 0.218 164 A C 2.027 179.683 177.584 0.119 0.000 1.154 164 A CA 0.906 52.983 52.037 0.068 0.000 0.679 164 A CB -0.341 18.728 19.000 0.115 0.000 0.795 164 A HN 0.272 nan 8.150 nan 0.000 0.458 165 L N -0.251 120.993 121.223 0.034 0.000 2.492 165 L HA 0.041 4.381 4.340 -0.000 0.000 0.223 165 L C 2.333 179.306 176.870 0.172 0.000 1.132 165 L CA 1.296 56.206 54.840 0.116 0.000 0.850 165 L CB -0.972 40.933 42.059 -0.257 0.000 0.966 165 L HN 0.324 nan 8.230 nan 0.000 0.454 166 S N 0.946 116.605 115.700 -0.070 0.000 2.381 166 S HA -0.183 4.287 4.470 -0.000 0.000 0.230 166 S C -0.445 173.661 174.600 -0.823 0.000 1.052 166 S CA 2.047 60.011 58.200 -0.393 0.000 1.068 166 S CB -1.210 61.791 63.200 -0.332 0.000 0.918 166 S HN 0.371 nan 8.310 nan 0.000 0.448 167 P HA -0.000 nan 4.420 nan 0.000 0.222 167 P C 0.772 177.721 177.300 -0.587 0.000 1.147 167 P CA 0.851 63.298 63.100 -1.087 0.000 0.790 167 P CB -0.126 31.042 31.700 -0.886 0.000 0.780 168 F N -1.356 118.540 119.950 -0.090 0.000 2.367 168 F HA -0.042 4.484 4.527 -0.000 0.000 0.298 168 F C 2.001 177.954 175.800 0.256 0.000 1.094 168 F CA 1.161 59.269 58.000 0.180 0.000 1.409 168 F CB -1.032 38.229 39.000 0.435 0.000 1.064 168 F HN 0.205 nan 8.300 nan 0.000 0.528 169 H N -3.776 115.430 119.070 0.227 0.000 2.784 169 H HA 0.364 4.920 4.556 -0.000 0.000 0.273 169 H C -0.506 174.892 175.328 0.116 0.000 1.112 169 H CA -0.425 55.737 56.048 0.190 0.000 1.162 169 H CB -0.400 29.414 29.762 0.087 0.000 1.586 169 H HN -0.090 nan 8.280 nan 0.000 0.548 170 N N 1.270 119.872 118.700 -0.164 0.000 2.569 170 N HA 0.263 5.003 4.740 -0.000 0.000 0.254 170 N C 0.410 175.997 175.510 0.129 0.000 1.004 170 N CA 0.344 53.387 53.050 -0.011 0.000 0.904 170 N CB 1.922 40.448 38.487 0.065 0.000 1.165 170 N HN 0.403 nan 8.380 nan 0.000 0.513 171 A N 1.970 124.849 122.820 0.099 0.000 1.986 171 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 171 A C 1.994 179.624 177.584 0.078 0.000 1.171 171 A CA 1.279 53.367 52.037 0.086 0.000 0.640 171 A CB -0.391 18.647 19.000 0.064 0.000 0.811 171 A HN 0.469 nan 8.150 nan 0.000 0.451 172 V N -1.371 118.576 119.914 0.054 0.000 2.828 172 V HA -0.259 3.860 4.120 -0.000 0.000 0.260 172 V C 1.963 178.014 176.094 -0.072 0.000 1.101 172 V CA 2.007 64.286 62.300 -0.035 0.000 1.123 172 V CB -0.819 30.937 31.823 -0.113 0.000 0.704 172 V HN 0.661 nan 8.190 nan 0.000 0.493 173 Y N 0.298 120.560 120.300 -0.063 0.000 2.186 173 Y HA 0.269 4.819 4.550 -0.000 0.000 0.286 173 Y C 1.731 177.591 175.900 -0.067 0.000 1.109 173 Y CA 0.915 58.970 58.100 -0.075 0.000 1.099 173 Y CB -0.592 37.800 38.460 -0.114 0.000 1.030 173 Y HN 0.312 nan 8.280 nan 0.000 0.495 174 S N 0.000 115.773 115.700 0.122 0.000 2.498 174 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 174 S CA 0.000 58.225 58.200 0.042 0.000 1.107 174 S CB 0.000 63.219 63.200 0.032 0.000 0.593 174 S HN 0.000 nan 8.310 nan 0.000 0.517