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 3esy_1_D DATA FIRST_RESID 2 DATA SEQUENCE KKIGLFYGTQ TGKTKSVAEI IRDEFGNDVV TLHDVSQAEV TDLNDYQYLI DATA SEQUENCE IGCPTWNIGK LQSDWEGLYS ELDDVDFNGK LVAYFGTGDQ IGYADNFQDA DATA SEQUENCE IGILEEKISQ RGGKTVGYWS TDGYDFNDSK ALRNGKFVGL ALDEDNQSDL DATA SEQUENCE TDDRIKSWVA QLKSEFGL 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.740 176.600 0.233 0.000 0.988 2 K CA 0.000 56.407 56.287 0.200 0.000 0.838 2 K CB 0.000 32.541 32.500 0.068 0.000 1.064 3 K N 0.597 121.080 120.400 0.139 0.000 2.002 3 K HA 0.095 4.415 4.320 -0.001 0.000 0.209 3 K C 0.718 177.432 176.600 0.190 0.000 1.048 3 K CA 1.051 57.419 56.287 0.135 0.000 0.930 3 K CB 0.130 32.654 32.500 0.039 0.000 0.714 3 K HN 0.149 nan 8.250 nan 0.000 0.438 4 I N 0.283 120.866 120.570 0.021 0.000 2.441 4 I HA 0.220 4.390 4.170 -0.001 0.000 0.295 4 I C 0.166 176.098 176.117 -0.308 0.000 0.994 4 I CA -0.773 60.435 61.300 -0.152 0.000 1.144 4 I CB 2.032 39.760 38.000 -0.454 0.000 1.314 4 I HN -0.034 nan 8.210 nan 0.000 0.445 5 G N 6.563 115.001 108.800 -0.603 0.000 2.422 5 G HA2 0.550 4.509 3.960 -0.001 0.000 0.317 5 G HA3 0.550 4.509 3.960 -0.001 0.000 0.317 5 G C -1.220 173.527 174.900 -0.255 0.000 1.210 5 G CA -0.297 44.184 45.100 -1.032 0.000 0.930 5 G HN 0.347 nan 8.290 nan 0.000 0.468 6 L N 3.793 124.918 121.223 -0.163 0.000 2.324 6 L HA 0.627 4.966 4.340 -0.001 0.000 0.274 6 L C -1.522 175.414 176.870 0.110 0.000 1.012 6 L CA -1.756 53.169 54.840 0.141 0.000 0.859 6 L CB 0.033 42.227 42.059 0.225 0.000 1.224 6 L HN 0.317 nan 8.230 nan 0.000 0.429 7 F N 6.685 126.750 119.950 0.192 0.000 2.391 7 F HA 0.485 5.012 4.527 -0.001 0.000 0.359 7 F C -0.036 175.969 175.800 0.341 0.000 1.122 7 F CA -0.353 57.737 58.000 0.150 0.000 1.120 7 F CB 0.742 39.818 39.000 0.126 0.000 1.142 7 F HN 0.499 nan 8.300 nan 0.000 0.483 8 Y N 0.684 121.185 120.300 0.335 0.000 2.499 8 Y HA 0.926 5.475 4.550 -0.001 0.000 0.347 8 Y C -0.446 175.578 175.900 0.207 0.000 0.987 8 Y CA -2.280 56.023 58.100 0.339 0.000 1.044 8 Y CB 1.336 39.951 38.460 0.259 0.000 1.245 8 Y HN 0.625 nan 8.280 nan 0.000 0.461 9 G N 0.660 109.775 108.800 0.525 0.000 2.452 9 G HA2 0.534 4.494 3.960 -0.001 0.000 0.324 9 G HA3 0.534 4.494 3.960 -0.001 0.000 0.324 9 G C -1.472 173.665 174.900 0.394 0.000 1.214 9 G CA -0.945 44.359 45.100 0.340 0.000 0.947 9 G HN 0.841 nan 8.290 nan 0.000 0.478 10 T N -0.037 114.689 114.554 0.287 0.000 2.993 10 T HA 0.373 4.723 4.350 -0.001 0.000 0.312 10 T C 0.385 175.138 174.700 0.088 0.000 1.115 10 T CA -0.358 61.876 62.100 0.224 0.000 1.027 10 T CB 2.147 71.149 68.868 0.223 0.000 1.116 10 T HN 0.455 nan 8.240 nan 0.000 0.464 11 Q N 1.697 121.525 119.800 0.048 0.000 2.263 11 Q HA 0.180 4.520 4.340 -0.001 0.000 0.196 11 Q C 1.929 177.918 176.000 -0.018 0.000 0.965 11 Q CA 2.016 57.719 55.803 -0.168 0.000 0.851 11 Q CB 0.101 28.379 28.738 -0.765 0.000 0.948 11 Q HN 0.779 nan 8.270 nan 0.000 0.516 12 T N -3.620 111.031 114.554 0.162 0.000 3.105 12 T HA 0.451 4.801 4.350 -0.001 0.000 0.253 12 T C 1.095 175.869 174.700 0.124 0.000 1.047 12 T CA 0.290 62.488 62.100 0.163 0.000 0.944 12 T CB 0.658 69.689 68.868 0.273 0.000 1.016 12 T HN 0.484 nan 8.240 nan 0.000 0.544 13 G N 1.854 110.724 108.800 0.116 0.000 2.175 13 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.244 13 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.244 13 G C 0.855 175.787 174.900 0.052 0.000 0.982 13 G CA 0.349 45.492 45.100 0.072 0.000 0.641 13 G HN 0.546 nan 8.290 nan 0.000 0.527 14 K N -0.167 120.284 120.400 0.085 0.000 2.103 14 K HA 0.057 4.377 4.320 -0.001 0.000 0.204 14 K C 2.522 179.155 176.600 0.055 0.000 1.052 14 K CA 1.580 57.904 56.287 0.062 0.000 0.945 14 K CB -0.242 32.302 32.500 0.074 0.000 0.722 14 K HN 0.319 nan 8.250 nan 0.000 0.443 15 T N 1.465 116.077 114.554 0.096 0.000 2.867 15 T HA -0.133 4.216 4.350 -0.001 0.000 0.268 15 T C 1.745 176.457 174.700 0.020 0.000 1.057 15 T CA 1.150 63.342 62.100 0.154 0.000 1.136 15 T CB -0.009 68.974 68.868 0.192 0.000 0.874 15 T HN 0.250 nan 8.240 nan 0.000 0.466 16 K N 1.381 121.688 120.400 -0.153 0.000 2.026 16 K HA -0.141 4.178 4.320 -0.001 0.000 0.208 16 K C 2.590 179.037 176.600 -0.255 0.000 1.048 16 K CA 1.807 57.826 56.287 -0.447 0.000 0.929 16 K CB -0.208 32.113 32.500 -0.299 0.000 0.713 16 K HN 0.427 nan 8.250 nan 0.000 0.439 17 S N -0.171 115.458 115.700 -0.119 0.000 2.406 17 S HA -0.071 4.399 4.470 -0.001 0.000 0.228 17 S C 2.060 176.609 174.600 -0.086 0.000 1.020 17 S CA 0.955 59.106 58.200 -0.082 0.000 0.965 17 S CB -0.293 62.881 63.200 -0.043 0.000 0.798 17 S HN 0.136 nan 8.310 nan 0.000 0.488 18 V N 2.479 122.344 119.914 -0.081 0.000 2.332 18 V HA -0.148 3.971 4.120 -0.001 0.000 0.248 18 V C 3.146 179.107 176.094 -0.221 0.000 1.055 18 V CA 1.814 64.033 62.300 -0.135 0.000 1.038 18 V CB -1.384 30.376 31.823 -0.105 0.000 0.651 18 V HN 0.682 nan 8.190 nan 0.000 0.450 19 A N -0.734 121.984 122.820 -0.170 0.000 1.933 19 A HA -0.253 4.066 4.320 -0.001 0.000 0.218 19 A C 2.109 179.652 177.584 -0.068 0.000 1.175 19 A CA 1.879 53.847 52.037 -0.116 0.000 0.628 19 A CB -0.470 18.543 19.000 0.023 0.000 0.814 19 A HN 0.652 nan 8.150 nan 0.000 0.444 20 E N -0.257 119.892 120.200 -0.085 0.000 2.153 20 E HA -0.157 4.192 4.350 -0.001 0.000 0.194 20 E C 1.791 178.370 176.600 -0.035 0.000 0.988 20 E CA 1.092 57.466 56.400 -0.045 0.000 0.811 20 E CB -0.199 29.471 29.700 -0.049 0.000 0.746 20 E HN 0.604 nan 8.360 nan 0.000 0.466 21 I N 0.803 121.334 120.570 -0.065 0.000 2.286 21 I HA -0.203 3.967 4.170 -0.001 0.000 0.245 21 I C 2.338 178.420 176.117 -0.058 0.000 1.104 21 I CA 1.181 62.444 61.300 -0.063 0.000 1.397 21 I CB -0.978 36.972 38.000 -0.083 0.000 1.072 21 I HN 0.137 nan 8.210 nan 0.000 0.417 22 I N 0.631 121.159 120.570 -0.071 0.000 2.179 22 I HA -0.257 3.913 4.170 -0.001 0.000 0.242 22 I C 2.856 179.044 176.117 0.118 0.000 1.088 22 I CA 1.065 62.352 61.300 -0.021 0.000 1.357 22 I CB -0.516 37.473 38.000 -0.018 0.000 1.051 22 I HN 0.210 nan 8.210 nan 0.000 0.409 23 R N 1.303 121.882 120.500 0.131 0.000 2.105 23 R HA -0.215 4.125 4.340 -0.001 0.000 0.239 23 R C 1.521 177.895 176.300 0.122 0.000 1.135 23 R CA 2.136 58.334 56.100 0.162 0.000 0.967 23 R CB -0.500 29.855 30.300 0.092 0.000 0.861 23 R HN 0.344 nan 8.270 nan 0.000 0.442 24 D N 0.328 120.760 120.400 0.053 0.000 2.183 24 D HA -0.137 4.503 4.640 -0.001 0.000 0.203 24 D C 1.759 178.067 176.300 0.013 0.000 0.969 24 D CA 0.987 55.004 54.000 0.029 0.000 0.842 24 D CB -0.182 40.620 40.800 0.002 0.000 0.957 24 D HN 0.290 nan 8.370 nan 0.000 0.484 25 E N -0.426 119.756 120.200 -0.029 0.000 2.204 25 E HA -0.106 4.243 4.350 -0.001 0.000 0.194 25 E C 1.474 178.000 176.600 -0.123 0.000 0.989 25 E CA 0.722 57.054 56.400 -0.113 0.000 0.824 25 E CB -0.175 29.398 29.700 -0.212 0.000 0.756 25 E HN 0.175 nan 8.360 nan 0.000 0.477 26 F N -0.537 119.404 119.950 -0.014 0.000 2.387 26 F HA 0.359 4.885 4.527 -0.001 0.000 0.294 26 F C 1.134 176.929 175.800 -0.009 0.000 1.093 26 F CA 1.202 59.194 58.000 -0.014 0.000 1.420 26 F CB 0.556 39.549 39.000 -0.011 0.000 1.086 26 F HN 0.089 nan 8.300 nan 0.000 0.531 27 G N 0.341 109.254 108.800 0.188 0.000 2.697 27 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.684 27 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.684 27 G C 0.010 174.965 174.900 0.091 0.000 1.274 27 G CA -0.254 44.911 45.100 0.108 0.000 0.806 27 G HN 0.110 nan 8.290 nan 0.000 0.644 28 N N 0.035 118.769 118.700 0.057 0.000 2.244 28 N HA -0.057 4.682 4.740 -0.001 0.000 0.183 28 N C 1.478 177.008 175.510 0.034 0.000 1.016 28 N CA 2.107 55.182 53.050 0.041 0.000 0.866 28 N CB 0.171 38.674 38.487 0.027 0.000 0.980 28 N HN 0.503 nan 8.380 nan 0.000 0.430 29 D N -1.113 119.308 120.400 0.034 0.000 2.354 29 D HA 0.045 4.684 4.640 -0.001 0.000 0.209 29 D C 1.650 177.966 176.300 0.026 0.000 1.015 29 D CA 0.214 54.231 54.000 0.029 0.000 0.867 29 D CB 0.310 41.125 40.800 0.026 0.000 0.933 29 D HN 0.123 nan 8.370 nan 0.000 0.520 30 V N 0.634 120.563 119.914 0.024 0.000 2.535 30 V HA -0.019 4.100 4.120 -0.001 0.000 0.246 30 V C 1.086 177.134 176.094 -0.078 0.000 1.045 30 V CA 0.666 62.956 62.300 -0.018 0.000 1.058 30 V CB 0.348 32.174 31.823 0.004 0.000 0.689 30 V HN 0.117 nan 8.190 nan 0.000 0.461 31 V N -0.758 119.125 119.914 -0.051 0.000 2.735 31 V HA 0.837 4.957 4.120 -0.001 0.000 0.310 31 V C -0.567 175.517 176.094 -0.018 0.000 1.061 31 V CA 0.044 62.297 62.300 -0.079 0.000 0.913 31 V CB 1.966 33.715 31.823 -0.123 0.000 1.005 31 V HN 0.337 nan 8.190 nan 0.000 0.428 32 T N 3.820 118.354 114.554 -0.033 0.000 2.829 32 T HA 0.723 5.073 4.350 -0.001 0.000 0.280 32 T C -0.800 173.847 174.700 -0.089 0.000 0.999 32 T CA -0.658 61.416 62.100 -0.043 0.000 0.983 32 T CB 1.365 70.239 68.868 0.009 0.000 0.968 32 T HN 0.713 nan 8.240 nan 0.000 0.446 33 L N 4.193 125.355 121.223 -0.101 0.000 2.326 33 L HA 0.427 4.767 4.340 -0.001 0.000 0.278 33 L C 0.436 177.107 176.870 -0.333 0.000 1.092 33 L CA -0.046 54.779 54.840 -0.025 0.000 0.810 33 L CB 0.344 42.503 42.059 0.167 0.000 1.153 33 L HN 0.744 nan 8.230 nan 0.000 0.439 34 H N 1.688 120.512 119.070 -0.410 0.000 2.823 34 H HA 0.164 4.720 4.556 -0.001 0.000 0.332 34 H C -1.041 173.809 175.328 -0.797 0.000 0.980 34 H CA -0.878 54.807 56.048 -0.605 0.000 1.286 34 H CB 2.079 31.190 29.762 -1.086 0.000 1.541 34 H HN 0.482 nan 8.280 nan 0.000 0.521 35 D N 3.118 123.106 120.400 -0.687 0.000 2.383 35 D HA -0.024 4.615 4.640 -0.001 0.000 0.252 35 D C 1.437 177.471 176.300 -0.444 0.000 1.166 35 D CA -0.113 53.391 54.000 -0.826 0.000 0.879 35 D CB 1.572 42.139 40.800 -0.387 0.000 1.164 35 D HN 0.395 nan 8.370 nan 0.000 0.462 36 V N 2.062 121.687 119.914 -0.481 0.000 2.970 36 V HA -0.124 3.995 4.120 -0.001 0.000 0.260 36 V C 2.013 177.927 176.094 -0.300 0.000 1.100 36 V CA 1.482 63.517 62.300 -0.442 0.000 1.122 36 V CB -0.938 30.319 31.823 -0.944 0.000 0.721 36 V HN 0.556 nan 8.190 nan 0.000 0.483 37 S N 0.196 115.761 115.700 -0.226 0.000 2.447 37 S HA -0.175 4.294 4.470 -0.001 0.000 0.233 37 S C 1.795 176.330 174.600 -0.108 0.000 1.006 37 S CA 1.422 59.539 58.200 -0.139 0.000 0.957 37 S CB -0.497 62.645 63.200 -0.098 0.000 0.773 37 S HN 0.737 nan 8.310 nan 0.000 0.507 38 Q N 0.440 120.171 119.800 -0.115 0.000 2.219 38 Q HA 0.544 4.884 4.340 -0.001 0.000 0.209 38 Q C 0.211 176.184 176.000 -0.045 0.000 0.854 38 Q CA 0.031 55.790 55.803 -0.075 0.000 0.960 38 Q CB 0.954 29.648 28.738 -0.074 0.000 1.116 38 Q HN 0.704 nan 8.270 nan 0.000 0.500 39 A N 0.435 123.226 122.820 -0.049 0.000 2.386 39 A HA 0.581 4.900 4.320 -0.001 0.000 0.308 39 A C -0.677 176.899 177.584 -0.014 0.000 1.128 39 A CA -0.731 51.318 52.037 0.019 0.000 0.789 39 A CB 1.332 20.403 19.000 0.118 0.000 1.325 39 A HN 0.004 nan 8.150 nan 0.000 0.437 40 E N 0.301 120.509 120.200 0.014 0.000 2.222 40 E HA 0.238 4.588 4.350 -0.001 0.000 0.272 40 E C 0.809 177.376 176.600 -0.055 0.000 0.982 40 E CA -0.694 55.691 56.400 -0.025 0.000 0.842 40 E CB 1.953 31.644 29.700 -0.015 0.000 1.144 40 E HN 0.381 nan 8.360 nan 0.000 0.397 41 V N 2.559 122.424 119.914 -0.082 0.000 2.594 41 V HA -0.222 3.897 4.120 -0.001 0.000 0.253 41 V C 1.939 177.943 176.094 -0.150 0.000 1.069 41 V CA 2.749 64.980 62.300 -0.116 0.000 1.082 41 V CB -0.569 31.212 31.823 -0.070 0.000 0.680 41 V HN 0.848 nan 8.190 nan 0.000 0.469 42 T N -3.735 110.753 114.554 -0.110 0.000 3.118 42 T HA -0.074 4.275 4.350 -0.001 0.000 0.260 42 T C 1.371 176.016 174.700 -0.091 0.000 1.139 42 T CA 0.853 62.883 62.100 -0.117 0.000 1.085 42 T CB -0.406 68.409 68.868 -0.087 0.000 0.934 42 T HN 0.472 nan 8.240 nan 0.000 0.518 43 D N 1.745 122.121 120.400 -0.040 0.000 2.218 43 D HA 0.013 4.653 4.640 -0.001 0.000 0.204 43 D C 1.933 178.281 176.300 0.080 0.000 0.976 43 D CA 0.550 54.601 54.000 0.086 0.000 0.853 43 D CB -0.341 40.627 40.800 0.280 0.000 0.939 43 D HN 0.389 nan 8.370 nan 0.000 0.481 44 L N 0.583 121.662 121.223 -0.240 0.000 2.187 44 L HA -0.195 4.144 4.340 -0.001 0.000 0.213 44 L C 1.772 178.588 176.870 -0.090 0.000 1.100 44 L CA 1.002 55.642 54.840 -0.332 0.000 0.765 44 L CB -0.489 41.320 42.059 -0.416 0.000 0.904 44 L HN 0.059 nan 8.230 nan 0.000 0.437 45 N N -0.357 118.259 118.700 -0.141 0.000 2.289 45 N HA -0.168 4.571 4.740 -0.001 0.000 0.184 45 N C 0.897 176.321 175.510 -0.143 0.000 1.016 45 N CA 0.888 53.847 53.050 -0.151 0.000 0.872 45 N CB -0.022 38.367 38.487 -0.162 0.000 0.973 45 N HN 0.295 nan 8.380 nan 0.000 0.433 46 D N -0.494 119.796 120.400 -0.185 0.000 2.378 46 D HA -0.042 4.597 4.640 -0.001 0.000 0.227 46 D C -0.632 175.220 176.300 -0.747 0.000 1.012 46 D CA 0.932 54.655 54.000 -0.461 0.000 0.905 46 D CB 0.017 40.478 40.800 -0.565 0.000 0.895 46 D HN 0.351 nan 8.370 nan 0.000 0.532 47 Y N -0.344 119.927 120.300 -0.049 0.000 2.457 47 Y HA 0.251 4.800 4.550 -0.001 0.000 0.343 47 Y C 1.134 176.935 175.900 -0.165 0.000 0.994 47 Y CA -0.933 57.123 58.100 -0.074 0.000 1.031 47 Y CB 1.553 40.017 38.460 0.007 0.000 1.246 47 Y HN -0.386 nan 8.280 nan 0.000 0.449 48 Q N 1.087 120.773 119.800 -0.189 0.000 2.331 48 Q HA 0.046 4.385 4.340 -0.001 0.000 0.203 48 Q C -0.843 174.769 176.000 -0.648 0.000 0.944 48 Q CA 0.872 56.388 55.803 -0.479 0.000 0.892 48 Q CB 0.252 28.545 28.738 -0.741 0.000 0.983 48 Q HN 0.650 nan 8.270 nan 0.000 0.482 49 Y N 0.081 120.304 120.300 -0.129 0.000 2.328 49 Y HA 0.474 5.024 4.550 -0.001 0.000 0.333 49 Y C -0.207 175.563 175.900 -0.216 0.000 0.958 49 Y CA -0.631 57.233 58.100 -0.392 0.000 1.167 49 Y CB 1.044 38.870 38.460 -1.057 0.000 1.151 49 Y HN -0.195 nan 8.280 nan 0.000 0.470 50 L N 5.050 126.319 121.223 0.077 0.000 2.341 50 L HA 0.563 4.903 4.340 -0.001 0.000 0.278 50 L C -0.906 176.062 176.870 0.163 0.000 1.005 50 L CA -0.869 54.037 54.840 0.111 0.000 0.818 50 L CB 1.556 43.685 42.059 0.117 0.000 1.259 50 L HN 0.482 nan 8.230 nan 0.000 0.418 51 I N 4.745 125.432 120.570 0.196 0.000 2.339 51 I HA 0.315 4.485 4.170 -0.001 0.000 0.290 51 I C -0.086 176.175 176.117 0.240 0.000 0.994 51 I CA -0.524 60.944 61.300 0.279 0.000 1.191 51 I CB 1.641 39.916 38.000 0.459 0.000 1.343 51 I HN 0.351 nan 8.210 nan 0.000 0.458 52 I N 5.688 126.255 120.570 -0.006 0.000 2.306 52 I HA 0.315 4.484 4.170 -0.001 0.000 0.288 52 I C 0.872 176.844 176.117 -0.241 0.000 1.036 52 I CA -0.207 61.049 61.300 -0.073 0.000 1.221 52 I CB 0.862 38.630 38.000 -0.386 0.000 1.385 52 I HN 0.568 nan 8.210 nan 0.000 0.472 53 G N 5.216 113.884 108.800 -0.220 0.000 2.319 53 G HA2 0.454 4.414 3.960 -0.001 0.000 0.308 53 G HA3 0.454 4.414 3.960 -0.001 0.000 0.308 53 G C -0.904 173.810 174.900 -0.311 0.000 1.117 53 G CA -0.246 44.276 45.100 -0.963 0.000 0.903 53 G HN 0.659 nan 8.290 nan 0.000 0.436 54 C N 5.785 124.824 119.300 -0.434 0.000 2.752 54 C HA 0.696 5.156 4.460 -0.001 0.000 0.360 54 C C -2.556 172.351 174.990 -0.139 0.000 1.081 54 C CA -1.432 57.496 59.018 -0.150 0.000 1.272 54 C CB 2.109 29.671 27.740 -0.297 0.000 1.754 54 C HN 0.633 nan 8.230 nan 0.000 0.483 55 P HA 0.350 nan 4.420 nan 0.000 0.281 55 P C -0.687 176.637 177.300 0.041 0.000 1.249 55 P CA 0.190 63.301 63.100 0.018 0.000 0.810 55 P CB 1.173 32.982 31.700 0.182 0.000 1.008 56 T N 1.994 116.475 114.554 -0.121 0.000 2.875 56 T HA 0.393 4.743 4.350 -0.001 0.000 0.284 56 T C -0.763 173.791 174.700 -0.242 0.000 0.995 56 T CA 0.110 62.140 62.100 -0.118 0.000 1.060 56 T CB 0.411 69.172 68.868 -0.178 0.000 0.967 56 T HN 0.401 nan 8.240 nan 0.000 0.476 57 W N 1.047 122.262 121.300 -0.142 0.000 3.033 57 W HA 0.397 5.056 4.660 -0.001 0.000 0.336 57 W C -0.242 176.181 176.519 -0.160 0.000 1.173 57 W CA -0.752 56.494 57.345 -0.165 0.000 1.185 57 W CB 0.975 30.377 29.460 -0.098 0.000 1.425 57 W HN 0.619 nan 8.180 nan 0.000 0.536 58 N N 3.807 122.564 118.700 0.095 0.000 2.714 58 N HA -0.194 4.546 4.740 -0.001 0.000 0.253 58 N C -0.457 175.073 175.510 0.033 0.000 1.024 58 N CA 1.401 54.497 53.050 0.078 0.000 0.726 58 N CB -1.445 37.124 38.487 0.136 0.000 0.908 58 N HN 0.611 nan 8.380 nan 0.000 0.542 59 I N -2.414 118.142 120.570 -0.023 0.000 7.474 59 I HA -0.222 3.948 4.170 -0.001 0.000 0.126 59 I C 1.293 177.429 176.117 0.032 0.000 1.805 59 I CA 1.273 62.610 61.300 0.062 0.000 2.128 59 I CB -2.453 35.625 38.000 0.130 0.000 3.592 59 I HN 0.767 nan 8.210 nan 0.000 0.196 60 G N 2.829 111.625 108.800 -0.006 0.000 2.149 60 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.235 60 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.235 60 G C 0.305 175.190 174.900 -0.026 0.000 1.018 60 G CA 0.489 45.582 45.100 -0.013 0.000 0.728 60 G HN 0.701 nan 8.290 nan 0.000 0.508 61 K N -0.840 119.554 120.400 -0.009 0.000 2.258 61 K HA 0.739 5.058 4.320 -0.001 0.000 0.236 61 K C 0.010 176.617 176.600 0.012 0.000 1.008 61 K CA -1.246 55.036 56.287 -0.008 0.000 0.869 61 K CB 1.409 33.920 32.500 0.018 0.000 1.171 61 K HN -0.015 nan 8.250 nan 0.000 0.447 62 L N 1.799 123.016 121.223 -0.011 0.000 2.436 62 L HA 0.083 4.423 4.340 -0.001 0.000 0.265 62 L C 0.665 177.599 176.870 0.106 0.000 1.168 62 L CA 0.277 55.135 54.840 0.030 0.000 0.815 62 L CB 0.281 42.343 42.059 0.005 0.000 1.109 62 L HN 0.539 nan 8.230 nan 0.000 0.462 63 Q N 0.822 120.722 119.800 0.166 0.000 2.311 63 Q HA 0.006 4.346 4.340 -0.001 0.000 0.272 63 Q C 1.099 177.141 176.000 0.070 0.000 1.012 63 Q CA 0.542 56.412 55.803 0.113 0.000 0.891 63 Q CB 1.087 29.934 28.738 0.182 0.000 1.201 63 Q HN 0.834 nan 8.270 nan 0.000 0.391 64 S N 3.614 119.293 115.700 -0.036 0.000 2.407 64 S HA -0.220 4.250 4.470 -0.001 0.000 0.235 64 S C 0.879 175.485 174.600 0.010 0.000 1.036 64 S CA 1.792 59.978 58.200 -0.022 0.000 1.013 64 S CB -0.039 63.114 63.200 -0.078 0.000 0.820 64 S HN 0.704 nan 8.310 nan 0.000 0.476 65 D N 0.456 120.857 120.400 0.002 0.000 2.103 65 D HA -0.047 4.593 4.640 -0.001 0.000 0.199 65 D C 1.543 177.831 176.300 -0.020 0.000 0.978 65 D CA 0.984 54.958 54.000 -0.042 0.000 0.829 65 D CB -0.471 40.272 40.800 -0.095 0.000 0.981 65 D HN 0.599 nan 8.370 nan 0.000 0.464 66 W N 1.482 122.797 121.300 0.026 0.000 2.392 66 W HA -0.142 4.518 4.660 -0.001 0.000 0.279 66 W C 2.453 179.019 176.519 0.078 0.000 1.225 66 W CA 0.551 57.929 57.345 0.056 0.000 1.233 66 W CB 0.171 29.664 29.460 0.055 0.000 1.122 66 W HN -0.009 nan 8.180 nan 0.000 0.561 67 E N 0.037 120.402 120.200 0.274 0.000 2.031 67 E HA -0.148 4.202 4.350 -0.001 0.000 0.193 67 E C 2.396 179.106 176.600 0.183 0.000 0.994 67 E CA 2.131 58.636 56.400 0.174 0.000 0.800 67 E CB -1.089 28.655 29.700 0.073 0.000 0.752 67 E HN 0.103 nan 8.360 nan 0.000 0.447 68 G N 0.178 109.044 108.800 0.111 0.000 2.450 68 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.220 68 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.220 68 G C 1.480 176.435 174.900 0.092 0.000 1.130 68 G CA 0.976 46.120 45.100 0.074 0.000 0.760 68 G HN 0.338 nan 8.290 nan 0.000 0.557 69 L N -1.227 120.063 121.223 0.113 0.000 2.446 69 L HA 0.290 4.629 4.340 -0.001 0.000 0.219 69 L C 2.231 179.245 176.870 0.240 0.000 1.116 69 L CA 0.393 55.288 54.840 0.093 0.000 0.844 69 L CB -0.346 41.648 42.059 -0.108 0.000 0.970 69 L HN 0.342 nan 8.230 nan 0.000 0.457 70 Y N 0.310 120.737 120.300 0.212 0.000 2.049 70 Y HA -0.355 4.195 4.550 -0.001 0.000 0.277 70 Y C 2.770 178.744 175.900 0.124 0.000 1.143 70 Y CA 2.106 60.325 58.100 0.199 0.000 1.115 70 Y CB -0.600 37.953 38.460 0.154 0.000 0.975 70 Y HN 0.339 nan 8.280 nan 0.000 0.487 71 S N 0.101 115.931 115.700 0.218 0.000 2.422 71 S HA -0.358 4.112 4.470 -0.001 0.000 0.241 71 S C 1.517 176.119 174.600 0.004 0.000 1.076 71 S CA 2.061 60.315 58.200 0.090 0.000 1.066 71 S CB -0.846 62.428 63.200 0.124 0.000 0.890 71 S HN 0.728 nan 8.310 nan 0.000 0.465 72 E N 0.971 121.184 120.200 0.020 0.000 2.502 72 E HA 0.207 4.557 4.350 -0.001 0.000 0.194 72 E C 1.603 178.198 176.600 -0.008 0.000 1.062 72 E CA 0.084 56.484 56.400 0.000 0.000 0.867 72 E CB -0.295 29.407 29.700 0.002 0.000 0.888 72 E HN 0.528 nan 8.360 nan 0.000 0.510 73 L N 1.177 122.389 121.223 -0.018 0.000 2.275 73 L HA -0.150 4.190 4.340 -0.001 0.000 0.215 73 L C 1.518 178.410 176.870 0.037 0.000 1.119 73 L CA 0.606 55.474 54.840 0.048 0.000 0.790 73 L CB -0.179 41.896 42.059 0.027 0.000 0.919 73 L HN 0.051 nan 8.230 nan 0.000 0.443 74 D N 0.241 120.623 120.400 -0.030 0.000 2.265 74 D HA -0.156 4.483 4.640 -0.001 0.000 0.208 74 D C 0.965 177.249 176.300 -0.026 0.000 0.977 74 D CA 1.040 55.028 54.000 -0.020 0.000 0.871 74 D CB -0.111 40.672 40.800 -0.029 0.000 0.925 74 D HN 0.370 nan 8.370 nan 0.000 0.485 75 D N 0.219 120.594 120.400 -0.042 0.000 2.325 75 D HA 0.042 4.682 4.640 -0.001 0.000 0.234 75 D C 0.202 176.432 176.300 -0.116 0.000 1.122 75 D CA 0.066 54.027 54.000 -0.065 0.000 0.850 75 D CB 0.668 41.434 40.800 -0.057 0.000 0.921 75 D HN 0.007 nan 8.370 nan 0.000 0.513 76 V N 0.010 119.829 119.914 -0.157 0.000 2.733 76 V HA 0.254 4.373 4.120 -0.001 0.000 0.306 76 V C -1.759 174.123 176.094 -0.354 0.000 1.084 76 V CA -0.920 61.181 62.300 -0.331 0.000 0.905 76 V CB 2.908 34.403 31.823 -0.547 0.000 1.010 76 V HN -0.218 nan 8.190 nan 0.000 0.424 77 D N 4.551 124.761 120.400 -0.316 0.000 2.280 77 D HA 0.343 4.982 4.640 -0.001 0.000 0.243 77 D C 0.169 176.290 176.300 -0.298 0.000 1.129 77 D CA -0.015 53.869 54.000 -0.193 0.000 0.848 77 D CB 1.349 42.090 40.800 -0.098 0.000 1.107 77 D HN 0.530 nan 8.370 nan 0.000 0.471 78 F N 1.588 121.523 119.950 -0.025 0.000 2.727 78 F HA 0.171 4.698 4.527 -0.001 0.000 0.302 78 F C 1.050 176.844 175.800 -0.010 0.000 1.097 78 F CA -0.590 57.398 58.000 -0.019 0.000 1.330 78 F CB -0.237 38.760 39.000 -0.004 0.000 1.084 78 F HN 0.168 nan 8.300 nan 0.000 0.578 79 N N 0.449 119.220 118.700 0.118 0.000 2.292 79 N HA 0.262 5.002 4.740 -0.001 0.000 0.258 79 N C 1.161 176.702 175.510 0.051 0.000 1.261 79 N CA 1.736 54.832 53.050 0.077 0.000 0.845 79 N CB 0.350 38.862 38.487 0.041 0.000 1.064 79 N HN 0.405 nan 8.380 nan 0.000 0.471 80 G N 1.334 110.169 108.800 0.058 0.000 2.241 80 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.244 80 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.244 80 G C -0.020 174.901 174.900 0.036 0.000 0.998 80 G CA -0.043 45.079 45.100 0.036 0.000 0.621 80 G HN 0.535 nan 8.290 nan 0.000 0.519 81 K N 0.063 120.505 120.400 0.069 0.000 2.144 81 K HA 0.632 4.952 4.320 -0.001 0.000 0.270 81 K C -0.390 176.290 176.600 0.133 0.000 1.005 81 K CA -0.764 55.564 56.287 0.069 0.000 0.932 81 K CB 1.195 33.773 32.500 0.130 0.000 1.021 81 K HN 0.034 nan 8.250 nan 0.000 0.462 82 L N 2.293 123.622 121.223 0.176 0.000 2.295 82 L HA 0.363 4.703 4.340 -0.001 0.000 0.285 82 L C -0.683 176.397 176.870 0.350 0.000 1.035 82 L CA -0.461 54.582 54.840 0.339 0.000 0.806 82 L CB 1.642 44.079 42.059 0.629 0.000 1.214 82 L HN 0.294 nan 8.230 nan 0.000 0.426 83 V N 2.140 122.201 119.914 0.244 0.000 2.525 83 V HA 0.866 4.985 4.120 -0.001 0.000 0.299 83 V C -0.018 176.069 176.094 -0.012 0.000 1.034 83 V CA -0.839 61.497 62.300 0.060 0.000 0.863 83 V CB 1.392 33.126 31.823 -0.148 0.000 0.999 83 V HN 0.858 nan 8.190 nan 0.000 0.423 84 A N 4.073 126.894 122.820 0.002 0.000 2.311 84 A HA 0.969 5.288 4.320 -0.001 0.000 0.334 84 A C -1.537 175.993 177.584 -0.091 0.000 1.139 84 A CA -0.500 51.591 52.037 0.090 0.000 0.830 84 A CB 1.157 20.268 19.000 0.185 0.000 1.234 84 A HN 0.748 nan 8.150 nan 0.000 0.483 85 Y N -0.148 120.336 120.300 0.305 0.000 2.442 85 Y HA 0.596 5.145 4.550 -0.001 0.000 0.344 85 Y C -0.460 175.457 175.900 0.029 0.000 0.976 85 Y CA -0.707 57.442 58.100 0.080 0.000 1.040 85 Y CB 1.955 40.356 38.460 -0.099 0.000 1.228 85 Y HN 0.750 nan 8.280 nan 0.000 0.451 86 F N -0.327 119.586 119.950 -0.062 0.000 2.626 86 F HA 1.044 5.570 4.527 -0.001 0.000 0.311 86 F C -0.501 175.151 175.800 -0.247 0.000 1.088 86 F CA -1.238 56.541 58.000 -0.368 0.000 0.949 86 F CB 1.823 40.498 39.000 -0.543 0.000 1.322 86 F HN 0.633 nan 8.300 nan 0.000 0.461 87 G N 0.003 108.664 108.800 -0.231 0.000 2.695 87 G HA2 0.584 4.544 3.960 -0.001 0.000 0.290 87 G HA3 0.584 4.544 3.960 -0.001 0.000 0.290 87 G C -1.621 173.205 174.900 -0.124 0.000 1.410 87 G CA -0.624 44.331 45.100 -0.241 0.000 0.844 87 G HN 0.982 nan 8.290 nan 0.000 0.478 88 T N -2.166 112.346 114.554 -0.070 0.000 2.929 88 T HA 0.860 5.209 4.350 -0.001 0.000 0.284 88 T C 0.308 174.938 174.700 -0.116 0.000 1.014 88 T CA -0.075 61.993 62.100 -0.054 0.000 1.051 88 T CB 1.981 70.864 68.868 0.025 0.000 1.028 88 T HN 1.771 nan 8.240 nan 0.000 0.485 89 G N 0.224 109.006 108.800 -0.029 0.000 2.559 89 G HA2 0.478 4.437 3.960 -0.001 0.000 0.291 89 G HA3 0.478 4.437 3.960 -0.001 0.000 0.291 89 G C -2.173 172.895 174.900 0.279 0.000 1.424 89 G CA -0.805 44.312 45.100 0.029 0.000 0.786 89 G HN 0.771 nan 8.290 nan 0.000 0.485 90 D N -0.167 120.381 120.400 0.247 0.000 2.461 90 D HA 0.256 4.895 4.640 -0.001 0.000 0.240 90 D C 1.457 177.786 176.300 0.048 0.000 1.094 90 D CA -0.556 53.529 54.000 0.142 0.000 0.868 90 D CB 1.385 42.263 40.800 0.130 0.000 1.062 90 D HN 0.460 nan 8.370 nan 0.000 0.530 91 Q N 3.186 122.746 119.800 -0.399 0.000 2.369 91 Q HA -0.068 4.272 4.340 -0.001 0.000 0.206 91 Q C 0.767 176.643 176.000 -0.205 0.000 0.963 91 Q CA 0.608 55.981 55.803 -0.717 0.000 0.894 91 Q CB 0.377 28.426 28.738 -1.149 0.000 0.965 91 Q HN 0.415 nan 8.270 nan 0.000 0.475 92 I N 1.020 121.517 120.570 -0.121 0.000 2.512 92 I HA 0.044 4.213 4.170 -0.001 0.000 0.247 92 I C 2.348 178.410 176.117 -0.092 0.000 1.094 92 I CA 1.373 62.627 61.300 -0.078 0.000 1.427 92 I CB -1.241 36.722 38.000 -0.062 0.000 1.149 92 I HN 0.335 nan 8.210 nan 0.000 0.438 93 G N -0.628 108.116 108.800 -0.092 0.000 2.511 93 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.217 93 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.217 93 G C 0.576 175.102 174.900 -0.623 0.000 1.133 93 G CA 0.408 45.339 45.100 -0.282 0.000 0.792 93 G HN 0.382 nan 8.290 nan 0.000 0.539 94 Y N -0.410 119.881 120.300 -0.015 0.000 2.577 94 Y HA 0.515 5.065 4.550 -0.001 0.000 0.307 94 Y C 1.620 177.563 175.900 0.073 0.000 0.940 94 Y CA -0.668 57.443 58.100 0.018 0.000 1.132 94 Y CB 0.531 38.989 38.460 -0.004 0.000 1.184 94 Y HN 0.130 nan 8.280 nan 0.000 0.611 95 A N -0.649 122.235 122.820 0.106 0.000 2.125 95 A HA -0.161 4.159 4.320 -0.001 0.000 0.219 95 A C 1.576 179.300 177.584 0.234 0.000 1.156 95 A CA 1.944 54.079 52.037 0.163 0.000 0.671 95 A CB -0.123 18.923 19.000 0.077 0.000 0.794 95 A HN 0.373 nan 8.150 nan 0.000 0.459 96 D N -0.711 119.797 120.400 0.179 0.000 2.348 96 D HA 0.028 4.667 4.640 -0.001 0.000 0.211 96 D C -0.010 176.403 176.300 0.189 0.000 0.998 96 D CA 0.663 54.762 54.000 0.165 0.000 0.873 96 D CB -0.042 40.824 40.800 0.109 0.000 0.925 96 D HN 0.516 nan 8.370 nan 0.000 0.524 97 N N -0.478 118.353 118.700 0.219 0.000 2.475 97 N HA 0.075 4.815 4.740 -0.001 0.000 0.272 97 N C -0.849 174.749 175.510 0.146 0.000 1.482 97 N CA -0.422 52.722 53.050 0.158 0.000 0.863 97 N CB 0.374 38.931 38.487 0.116 0.000 1.400 97 N HN -0.093 nan 8.380 nan 0.000 0.489 98 F N 2.662 122.620 119.950 0.015 0.000 2.494 98 F HA 0.117 4.644 4.527 -0.001 0.000 0.369 98 F C 0.745 176.399 175.800 -0.243 0.000 1.098 98 F CA 0.369 58.292 58.000 -0.127 0.000 1.154 98 F CB 0.225 39.113 39.000 -0.186 0.000 1.103 98 F HN 0.190 nan 8.300 nan 0.000 0.549 99 Q N 2.863 122.242 119.800 -0.701 0.000 2.493 99 Q HA -0.278 4.061 4.340 -0.001 0.000 0.260 99 Q C 0.931 176.694 176.000 -0.396 0.000 0.905 99 Q CA 1.165 56.520 55.803 -0.747 0.000 1.140 99 Q CB -1.853 26.148 28.738 -1.228 0.000 1.435 99 Q HN 0.757 nan 8.270 nan 0.000 0.581 100 D N -0.021 120.238 120.400 -0.234 0.000 2.149 100 D HA -0.087 4.553 4.640 -0.001 0.000 0.198 100 D C 1.746 177.945 176.300 -0.168 0.000 0.990 100 D CA 1.666 55.579 54.000 -0.145 0.000 0.839 100 D CB -0.052 40.700 40.800 -0.079 0.000 0.948 100 D HN 0.537 nan 8.370 nan 0.000 0.460 101 A N 0.804 123.512 122.820 -0.187 0.000 1.933 101 A HA -0.144 4.175 4.320 -0.001 0.000 0.218 101 A C 2.294 179.737 177.584 -0.234 0.000 1.175 101 A CA 1.403 53.330 52.037 -0.184 0.000 0.628 101 A CB -0.855 18.057 19.000 -0.146 0.000 0.814 101 A HN 0.457 nan 8.150 nan 0.000 0.444 102 I N -2.569 117.837 120.570 -0.273 0.000 2.394 102 I HA 0.020 4.190 4.170 -0.001 0.000 0.251 102 I C 2.167 178.076 176.117 -0.347 0.000 1.136 102 I CA 1.302 62.426 61.300 -0.294 0.000 1.425 102 I CB -0.865 36.967 38.000 -0.280 0.000 1.079 102 I HN 0.126 nan 8.210 nan 0.000 0.425 103 G N 2.086 110.727 108.800 -0.264 0.000 2.402 103 G HA2 -0.084 3.875 3.960 -0.001 0.000 0.216 103 G HA3 -0.084 3.875 3.960 -0.001 0.000 0.216 103 G C 1.690 176.477 174.900 -0.188 0.000 1.162 103 G CA 0.875 45.844 45.100 -0.219 0.000 0.777 103 G HN 0.438 nan 8.290 nan 0.000 0.539 104 I N 0.166 120.642 120.570 -0.157 0.000 2.208 104 I HA -0.159 4.010 4.170 -0.001 0.000 0.245 104 I C 2.539 178.628 176.117 -0.047 0.000 1.097 104 I CA 0.574 61.807 61.300 -0.111 0.000 1.363 104 I CB -0.185 37.716 38.000 -0.165 0.000 1.051 104 I HN 0.084 nan 8.210 nan 0.000 0.413 105 L N 0.241 121.384 121.223 -0.134 0.000 2.072 105 L HA -0.154 4.186 4.340 -0.001 0.000 0.205 105 L C 2.536 179.306 176.870 -0.166 0.000 1.079 105 L CA 1.686 56.456 54.840 -0.117 0.000 0.752 105 L CB -1.304 40.586 42.059 -0.281 0.000 0.906 105 L HN 0.279 nan 8.230 nan 0.000 0.436 106 E N 0.083 120.022 120.200 -0.436 0.000 2.077 106 E HA -0.267 4.082 4.350 -0.001 0.000 0.193 106 E C 2.023 178.472 176.600 -0.252 0.000 0.989 106 E CA 1.340 57.367 56.400 -0.622 0.000 0.800 106 E CB 0.175 29.261 29.700 -1.022 0.000 0.746 106 E HN 0.616 nan 8.360 nan 0.000 0.452 107 E N 0.763 120.865 120.200 -0.163 0.000 2.058 107 E HA -0.271 4.079 4.350 -0.001 0.000 0.194 107 E C 2.161 178.735 176.600 -0.044 0.000 0.997 107 E CA 1.945 58.304 56.400 -0.069 0.000 0.801 107 E CB -0.131 29.552 29.700 -0.029 0.000 0.746 107 E HN 0.023 nan 8.360 nan 0.000 0.450 108 K N 0.581 120.967 120.400 -0.024 0.000 2.026 108 K HA -0.116 4.203 4.320 -0.001 0.000 0.208 108 K C 2.057 178.585 176.600 -0.121 0.000 1.048 108 K CA 1.843 58.094 56.287 -0.059 0.000 0.929 108 K CB -0.234 32.197 32.500 -0.115 0.000 0.713 108 K HN 0.266 nan 8.250 nan 0.000 0.439 109 I N 0.849 121.301 120.570 -0.197 0.000 2.353 109 I HA -0.200 3.969 4.170 -0.001 0.000 0.248 109 I C 2.251 178.220 176.117 -0.246 0.000 1.119 109 I CA 1.303 62.350 61.300 -0.421 0.000 1.417 109 I CB -0.409 37.225 38.000 -0.609 0.000 1.078 109 I HN 0.339 nan 8.210 nan 0.000 0.421 110 S N 0.043 115.682 115.700 -0.103 0.000 2.461 110 S HA -0.202 4.267 4.470 -0.001 0.000 0.228 110 S C 1.945 176.549 174.600 0.006 0.000 1.005 110 S CA 0.683 58.871 58.200 -0.021 0.000 0.942 110 S CB -0.267 62.936 63.200 0.004 0.000 0.776 110 S HN 0.448 nan 8.310 nan 0.000 0.514 111 Q N 0.642 120.437 119.800 -0.007 0.000 2.297 111 Q HA 0.133 4.473 4.340 -0.001 0.000 0.204 111 Q C 1.598 177.623 176.000 0.040 0.000 0.962 111 Q CA 0.719 56.531 55.803 0.014 0.000 0.879 111 Q CB 0.106 28.846 28.738 0.003 0.000 0.947 111 Q HN 0.380 nan 8.270 nan 0.000 0.462 112 R N -1.418 119.120 120.500 0.063 0.000 2.388 112 R HA 0.178 4.518 4.340 -0.001 0.000 0.247 112 R C 0.566 177.006 176.300 0.233 0.000 0.931 112 R CA 0.707 56.911 56.100 0.172 0.000 1.082 112 R CB 1.100 31.601 30.300 0.334 0.000 1.135 112 R HN 0.395 nan 8.270 nan 0.000 0.525 113 G N -0.130 108.759 108.800 0.147 0.000 2.201 113 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.212 113 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.212 113 G C 0.451 175.445 174.900 0.157 0.000 0.994 113 G CA -0.297 44.890 45.100 0.145 0.000 0.644 113 G HN 0.498 nan 8.290 nan 0.000 0.508 114 G N 0.275 109.157 108.800 0.137 0.000 2.403 114 G HA2 0.482 4.442 3.960 -0.001 0.000 0.259 114 G HA3 0.482 4.442 3.960 -0.001 0.000 0.259 114 G C -0.141 174.812 174.900 0.089 0.000 1.244 114 G CA 0.065 45.225 45.100 0.100 0.000 0.849 114 G HN 0.352 nan 8.290 nan 0.000 0.532 115 K N 2.119 122.591 120.400 0.120 0.000 2.293 115 K HA 0.283 4.603 4.320 -0.001 0.000 0.267 115 K C -0.046 176.641 176.600 0.146 0.000 1.010 115 K CA -0.354 56.011 56.287 0.130 0.000 0.875 115 K CB 0.772 33.352 32.500 0.133 0.000 1.106 115 K HN 0.444 nan 8.250 nan 0.000 0.450 116 T N 2.015 116.655 114.554 0.142 0.000 2.898 116 T HA 0.280 4.630 4.350 -0.001 0.000 0.301 116 T C -0.454 174.256 174.700 0.018 0.000 1.049 116 T CA -0.330 61.829 62.100 0.098 0.000 1.095 116 T CB 1.102 69.981 68.868 0.017 0.000 0.976 116 T HN 0.346 nan 8.240 nan 0.000 0.539 117 V N 0.687 120.543 119.914 -0.096 0.000 3.023 117 V HA 0.606 4.725 4.120 -0.001 0.000 0.294 117 V C 0.340 176.352 176.094 -0.137 0.000 1.324 117 V CA -0.161 62.081 62.300 -0.095 0.000 0.979 117 V CB 1.870 33.634 31.823 -0.098 0.000 1.093 117 V HN 1.201 nan 8.190 nan 0.000 0.434 118 G N 3.089 111.863 108.800 -0.044 0.000 2.203 118 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.231 118 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.231 118 G C -0.384 174.778 174.900 0.437 0.000 1.058 118 G CA -0.094 45.121 45.100 0.191 0.000 0.781 118 G HN 0.749 nan 8.290 nan 0.000 0.496 119 Y N -0.757 119.763 120.300 0.367 0.000 2.597 119 Y HA 0.415 4.965 4.550 -0.001 0.000 0.336 119 Y C 0.991 177.169 175.900 0.463 0.000 1.216 119 Y CA 0.194 58.502 58.100 0.347 0.000 1.463 119 Y CB 0.570 39.151 38.460 0.202 0.000 1.303 119 Y HN 0.354 nan 8.280 nan 0.000 0.576 120 W N 3.137 124.662 121.300 0.375 0.000 2.819 120 W HA 0.385 5.044 4.660 -0.001 0.000 0.337 120 W C -0.594 176.102 176.519 0.296 0.000 1.077 120 W CA -1.041 56.490 57.345 0.310 0.000 1.226 120 W CB 2.183 31.771 29.460 0.213 0.000 1.419 120 W HN 0.500 nan 8.180 nan 0.000 0.502 121 S N 1.320 116.825 115.700 -0.325 0.000 2.576 121 S HA 0.066 4.535 4.470 -0.001 0.000 0.276 121 S C 1.224 175.883 174.600 0.099 0.000 1.339 121 S CA 0.647 58.751 58.200 -0.160 0.000 1.039 121 S CB 1.359 64.403 63.200 -0.261 0.000 0.902 121 S HN 0.520 nan 8.310 nan 0.000 0.516 122 T N 0.380 114.971 114.554 0.061 0.000 3.129 122 T HA 0.147 4.497 4.350 -0.001 0.000 0.251 122 T C -0.077 174.908 174.700 0.476 0.000 1.117 122 T CA -0.266 61.954 62.100 0.199 0.000 1.034 122 T CB -0.405 68.415 68.868 -0.079 0.000 0.968 122 T HN 0.597 nan 8.240 nan 0.000 0.526 123 D N 1.812 122.368 120.400 0.258 0.000 2.417 123 D HA 0.401 5.041 4.640 -0.001 0.000 0.250 123 D C 1.398 177.790 176.300 0.154 0.000 1.166 123 D CA 1.347 55.444 54.000 0.163 0.000 0.881 123 D CB 0.849 41.673 40.800 0.041 0.000 1.164 123 D HN 0.489 nan 8.370 nan 0.000 0.467 124 G N 1.623 110.459 108.800 0.059 0.000 2.231 124 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.206 124 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.206 124 G C -0.268 174.480 174.900 -0.253 0.000 0.996 124 G CA -0.456 44.553 45.100 -0.152 0.000 0.645 124 G HN 0.444 nan 8.290 nan 0.000 0.498 125 Y N 0.434 120.890 120.300 0.261 0.000 2.528 125 Y HA 0.721 5.270 4.550 -0.001 0.000 0.335 125 Y C -0.193 175.845 175.900 0.231 0.000 1.093 125 Y CA -1.083 57.211 58.100 0.323 0.000 1.134 125 Y CB 1.763 40.618 38.460 0.659 0.000 1.253 125 Y HN -0.010 nan 8.280 nan 0.000 0.478 126 D N 2.186 122.786 120.400 0.334 0.000 2.363 126 D HA 0.228 4.867 4.640 -0.001 0.000 0.258 126 D C -1.641 174.757 176.300 0.162 0.000 1.259 126 D CA -0.156 53.925 54.000 0.136 0.000 0.921 126 D CB 0.153 40.977 40.800 0.041 0.000 1.201 126 D HN 0.342 nan 8.370 nan 0.000 0.524 127 F N 0.774 120.734 119.950 0.017 0.000 2.664 127 F HA 0.590 5.117 4.527 -0.001 0.000 0.329 127 F C 0.679 176.506 175.800 0.045 0.000 1.090 127 F CA -0.926 57.075 58.000 0.003 0.000 0.978 127 F CB 0.481 39.520 39.000 0.064 0.000 1.378 127 F HN -0.206 nan 8.300 nan 0.000 0.495 128 N N -0.448 118.319 118.700 0.113 0.000 2.322 128 N HA 0.106 4.845 4.740 -0.001 0.000 0.186 128 N C -0.669 174.867 175.510 0.043 0.000 1.037 128 N CA 1.051 54.102 53.050 0.002 0.000 0.869 128 N CB -0.087 38.435 38.487 0.059 0.000 1.036 128 N HN 0.706 nan 8.380 nan 0.000 0.439 129 D N -1.511 119.075 120.400 0.309 0.000 2.579 129 D HA 0.479 5.119 4.640 -0.001 0.000 0.257 129 D C -1.493 175.102 176.300 0.492 0.000 1.176 129 D CA -0.409 53.793 54.000 0.337 0.000 0.914 129 D CB 2.070 42.969 40.800 0.166 0.000 1.431 129 D HN -0.065 nan 8.370 nan 0.000 0.454 130 S N 0.061 115.970 115.700 0.348 0.000 2.562 130 S HA 0.277 4.747 4.470 -0.001 0.000 0.274 130 S C -0.208 174.465 174.600 0.121 0.000 1.160 130 S CA -0.565 57.767 58.200 0.220 0.000 0.933 130 S CB 1.079 64.428 63.200 0.248 0.000 1.100 130 S HN 0.374 nan 8.310 nan 0.000 0.468 131 K N 2.254 122.684 120.400 0.049 0.000 2.487 131 K HA 0.176 4.495 4.320 -0.001 0.000 0.192 131 K C 1.442 178.036 176.600 -0.010 0.000 1.027 131 K CA 0.700 56.995 56.287 0.013 0.000 1.054 131 K CB 0.053 32.543 32.500 -0.017 0.000 0.824 131 K HN 0.551 nan 8.250 nan 0.000 0.510 132 A N 0.644 123.465 122.820 0.002 0.000 2.251 132 A HA 0.072 4.392 4.320 -0.001 0.000 0.209 132 A C 0.283 177.932 177.584 0.107 0.000 1.187 132 A CA 0.089 52.128 52.037 0.003 0.000 0.823 132 A CB 0.045 19.014 19.000 -0.051 0.000 0.846 132 A HN 0.050 nan 8.150 nan 0.000 0.486 133 L N 1.152 122.431 121.223 0.092 0.000 2.349 133 L HA 0.374 4.714 4.340 -0.001 0.000 0.275 133 L C 0.053 176.951 176.870 0.046 0.000 1.115 133 L CA 0.373 55.249 54.840 0.060 0.000 0.820 133 L CB 0.576 42.657 42.059 0.038 0.000 1.135 133 L HN 0.201 nan 8.230 nan 0.000 0.445 134 R N 3.540 124.064 120.500 0.041 0.000 2.539 134 R HA 0.275 4.615 4.340 -0.001 0.000 0.295 134 R C -0.530 175.738 176.300 -0.055 0.000 1.138 134 R CA -0.795 55.311 56.100 0.009 0.000 0.936 134 R CB 0.586 30.921 30.300 0.058 0.000 1.182 134 R HN 0.576 nan 8.270 nan 0.000 0.459 135 N N 1.417 120.084 118.700 -0.055 0.000 2.714 135 N HA -0.203 4.536 4.740 -0.001 0.000 0.253 135 N C 0.711 176.179 175.510 -0.071 0.000 1.024 135 N CA 1.502 54.511 53.050 -0.068 0.000 0.726 135 N CB -0.961 37.469 38.487 -0.094 0.000 0.908 135 N HN 1.071 nan 8.380 nan 0.000 0.542 136 G N -1.250 107.512 108.800 -0.063 0.000 2.225 136 G HA2 -0.377 3.583 3.960 -0.001 0.000 0.267 136 G HA3 -0.377 3.583 3.960 -0.001 0.000 0.267 136 G C -0.001 174.837 174.900 -0.103 0.000 1.024 136 G CA 0.924 45.975 45.100 -0.081 0.000 0.784 136 G HN 0.639 nan 8.290 nan 0.000 0.507 137 K N -0.779 119.573 120.400 -0.081 0.000 2.443 137 K HA 0.615 4.934 4.320 -0.001 0.000 0.252 137 K C -0.042 176.594 176.600 0.060 0.000 0.933 137 K CA -1.079 55.195 56.287 -0.022 0.000 0.792 137 K CB 0.926 33.437 32.500 0.018 0.000 1.185 137 K HN -0.045 nan 8.250 nan 0.000 0.425 138 F N 2.293 122.331 119.950 0.147 0.000 2.563 138 F HA -0.053 4.474 4.527 -0.001 0.000 0.363 138 F C 1.670 177.589 175.800 0.198 0.000 1.123 138 F CA 0.007 58.062 58.000 0.092 0.000 1.307 138 F CB 0.611 39.628 39.000 0.029 0.000 1.115 138 F HN 0.296 nan 8.300 nan 0.000 0.592 139 V N 2.358 122.455 119.914 0.305 0.000 2.490 139 V HA -0.012 4.108 4.120 -0.001 0.000 0.250 139 V C 1.134 177.265 176.094 0.061 0.000 1.061 139 V CA 2.105 64.483 62.300 0.130 0.000 1.064 139 V CB -0.588 31.173 31.823 -0.104 0.000 0.670 139 V HN 0.915 nan 8.190 nan 0.000 0.461 140 G N -1.802 107.051 108.800 0.089 0.000 2.731 140 G HA2 0.445 4.405 3.960 -0.001 0.000 0.309 140 G HA3 0.445 4.405 3.960 -0.001 0.000 0.309 140 G C -1.639 173.106 174.900 -0.258 0.000 1.273 140 G CA -0.603 44.532 45.100 0.058 0.000 0.798 140 G HN -0.005 nan 8.290 nan 0.000 0.509 141 L N 1.574 122.272 121.223 -0.876 0.000 2.418 141 L HA 0.630 4.969 4.340 -0.001 0.000 0.274 141 L C 0.719 177.060 176.870 -0.882 0.000 1.135 141 L CA -0.248 53.791 54.840 -1.335 0.000 0.870 141 L CB 0.307 41.061 42.059 -2.176 0.000 1.154 141 L HN 0.739 nan 8.230 nan 0.000 0.462 142 A N 7.219 129.530 122.820 -0.847 0.000 2.260 142 A HA 0.644 4.963 4.320 -0.001 0.000 0.312 142 A C -0.767 176.631 177.584 -0.310 0.000 1.321 142 A CA -0.502 51.051 52.037 -0.807 0.000 0.928 142 A CB -0.113 17.978 19.000 -1.515 0.000 1.158 142 A HN 0.706 nan 8.150 nan 0.000 0.542 143 L N 2.265 123.349 121.223 -0.232 0.000 2.329 143 L HA 0.517 4.857 4.340 -0.001 0.000 0.279 143 L C -0.459 176.460 176.870 0.082 0.000 1.014 143 L CA -0.617 54.195 54.840 -0.046 0.000 0.814 143 L CB 1.945 43.943 42.059 -0.101 0.000 1.257 143 L HN 0.588 nan 8.230 nan 0.000 0.424 144 D N 1.408 121.907 120.400 0.163 0.000 2.505 144 D HA 0.184 4.824 4.640 -0.001 0.000 0.250 144 D C 0.180 176.527 176.300 0.078 0.000 1.164 144 D CA -0.248 53.855 54.000 0.170 0.000 0.870 144 D CB 2.009 42.939 40.800 0.216 0.000 1.160 144 D HN 0.504 nan 8.370 nan 0.000 0.549 145 E N 1.765 121.996 120.200 0.052 0.000 2.415 145 E HA 0.036 4.386 4.350 -0.001 0.000 0.197 145 E C 0.747 177.363 176.600 0.026 0.000 1.007 145 E CA 0.449 56.867 56.400 0.029 0.000 0.890 145 E CB 0.463 30.178 29.700 0.024 0.000 0.891 145 E HN 0.384 nan 8.360 nan 0.000 0.496 146 D N 0.071 120.488 120.400 0.029 0.000 2.162 146 D HA -0.013 4.627 4.640 -0.001 0.000 0.203 146 D C 0.848 177.157 176.300 0.014 0.000 0.967 146 D CA 0.842 54.854 54.000 0.021 0.000 0.840 146 D CB 0.134 40.945 40.800 0.019 0.000 0.972 146 D HN 0.222 nan 8.370 nan 0.000 0.482 147 N N -0.340 118.368 118.700 0.013 0.000 2.168 147 N HA 0.054 4.793 4.740 -0.001 0.000 0.216 147 N C 0.129 175.640 175.510 0.001 0.000 1.259 147 N CA 0.081 53.131 53.050 0.001 0.000 0.902 147 N CB 1.169 39.646 38.487 -0.016 0.000 1.079 147 N HN 0.150 nan 8.380 nan 0.000 0.507 148 Q N 0.559 120.368 119.800 0.014 0.000 2.248 148 Q HA 0.172 4.511 4.340 -0.001 0.000 0.324 148 Q C 0.410 176.416 176.000 0.010 0.000 0.867 148 Q CA -0.078 55.730 55.803 0.008 0.000 1.101 148 Q CB 0.778 29.523 28.738 0.012 0.000 1.328 148 Q HN 0.180 nan 8.270 nan 0.000 0.408 149 S N -0.233 115.472 115.700 0.008 0.000 2.507 149 S HA -0.131 4.338 4.470 -0.001 0.000 0.235 149 S C 1.241 175.839 174.600 -0.002 0.000 0.988 149 S CA 1.216 59.419 58.200 0.004 0.000 0.944 149 S CB -0.033 63.170 63.200 0.005 0.000 0.762 149 S HN 0.479 nan 8.310 nan 0.000 0.526 150 D N 1.373 121.772 120.400 -0.002 0.000 2.349 150 D HA 0.037 4.677 4.640 -0.001 0.000 0.215 150 D C 1.631 177.930 176.300 -0.001 0.000 1.016 150 D CA 0.182 54.181 54.000 -0.003 0.000 0.870 150 D CB -0.218 40.580 40.800 -0.003 0.000 0.917 150 D HN 0.470 nan 8.370 nan 0.000 0.524 151 L N 0.161 121.383 121.223 -0.001 0.000 2.463 151 L HA 0.054 4.394 4.340 -0.001 0.000 0.219 151 L C 2.249 179.122 176.870 0.005 0.000 1.088 151 L CA 0.314 55.158 54.840 0.007 0.000 0.849 151 L CB -0.336 41.722 42.059 -0.001 0.000 1.012 151 L HN -0.099 nan 8.230 nan 0.000 0.468 152 T N 0.193 114.740 114.554 -0.012 0.000 2.653 152 T HA -0.247 4.103 4.350 -0.001 0.000 0.268 152 T C 1.282 175.952 174.700 -0.049 0.000 1.035 152 T CA 2.247 64.322 62.100 -0.040 0.000 1.154 152 T CB -0.234 68.609 68.868 -0.042 0.000 0.862 152 T HN 0.372 nan 8.240 nan 0.000 0.441 153 D N 0.563 120.945 120.400 -0.029 0.000 2.117 153 D HA -0.071 4.568 4.640 -0.001 0.000 0.198 153 D C 2.049 178.341 176.300 -0.013 0.000 0.982 153 D CA 0.897 54.880 54.000 -0.029 0.000 0.828 153 D CB -0.051 40.737 40.800 -0.020 0.000 0.967 153 D HN 0.308 nan 8.370 nan 0.000 0.464 154 D N 0.179 120.586 120.400 0.011 0.000 2.144 154 D HA -0.063 4.576 4.640 -0.001 0.000 0.200 154 D C 2.079 178.426 176.300 0.079 0.000 0.978 154 D CA 0.538 54.564 54.000 0.043 0.000 0.833 154 D CB -0.034 40.798 40.800 0.055 0.000 0.961 154 D HN 0.216 nan 8.370 nan 0.000 0.470 155 R N 0.513 121.047 120.500 0.058 0.000 2.073 155 R HA -0.042 4.298 4.340 -0.001 0.000 0.234 155 R C 2.585 178.832 176.300 -0.088 0.000 1.134 155 R CA 0.662 56.779 56.100 0.028 0.000 0.952 155 R CB -0.431 29.833 30.300 -0.060 0.000 0.850 155 R HN 0.255 nan 8.270 nan 0.000 0.433 156 I N 1.125 121.640 120.570 -0.092 0.000 2.286 156 I HA -0.279 3.891 4.170 -0.001 0.000 0.248 156 I C 2.294 178.402 176.117 -0.014 0.000 1.115 156 I CA 1.419 62.682 61.300 -0.061 0.000 1.392 156 I CB -0.205 37.732 38.000 -0.104 0.000 1.065 156 I HN 0.150 nan 8.210 nan 0.000 0.418 157 K N 0.547 120.944 120.400 -0.006 0.000 1.985 157 K HA -0.140 4.180 4.320 -0.001 0.000 0.210 157 K C 2.305 178.928 176.600 0.038 0.000 1.047 157 K CA 1.975 58.257 56.287 -0.008 0.000 0.932 157 K CB -0.232 32.274 32.500 0.010 0.000 0.716 157 K HN 0.159 nan 8.250 nan 0.000 0.439 158 S N 0.195 115.979 115.700 0.141 0.000 2.382 158 S HA -0.183 4.286 4.470 -0.001 0.000 0.228 158 S C 1.493 176.292 174.600 0.332 0.000 1.027 158 S CA 1.261 59.609 58.200 0.248 0.000 0.991 158 S CB -0.325 63.110 63.200 0.392 0.000 0.823 158 S HN 0.427 nan 8.310 nan 0.000 0.469 159 W N 2.203 123.554 121.300 0.084 0.000 2.409 159 W HA -0.017 4.642 4.660 -0.001 0.000 0.299 159 W C 1.971 178.447 176.519 -0.072 0.000 1.203 159 W CA 0.475 57.828 57.345 0.013 0.000 1.298 159 W CB -0.581 28.674 29.460 -0.341 0.000 1.127 159 W HN 0.003 nan 8.180 nan 0.000 0.528 160 V N 1.218 121.036 119.914 -0.159 0.000 2.515 160 V HA -0.255 3.864 4.120 -0.001 0.000 0.250 160 V C 2.452 178.315 176.094 -0.385 0.000 1.058 160 V CA 1.959 63.948 62.300 -0.518 0.000 1.064 160 V CB -1.586 29.808 31.823 -0.716 0.000 0.675 160 V HN 0.266 nan 8.190 nan 0.000 0.461 161 A N -0.708 122.002 122.820 -0.183 0.000 1.902 161 A HA -0.299 4.020 4.320 -0.001 0.000 0.217 161 A C 2.250 179.788 177.584 -0.076 0.000 1.181 161 A CA 2.016 53.995 52.037 -0.098 0.000 0.623 161 A CB -0.524 18.459 19.000 -0.027 0.000 0.818 161 A HN 0.585 nan 8.150 nan 0.000 0.443 162 Q N -0.440 119.325 119.800 -0.059 0.000 2.096 162 Q HA -0.139 4.200 4.340 -0.001 0.000 0.204 162 Q C 1.948 177.837 176.000 -0.185 0.000 0.982 162 Q CA 1.595 57.367 55.803 -0.052 0.000 0.850 162 Q CB -0.206 28.578 28.738 0.076 0.000 0.901 162 Q HN 0.693 nan 8.270 nan 0.000 0.422 163 L N -0.013 120.996 121.223 -0.356 0.000 2.109 163 L HA -0.129 4.211 4.340 -0.001 0.000 0.207 163 L C 2.393 179.170 176.870 -0.155 0.000 1.086 163 L CA 0.953 55.503 54.840 -0.484 0.000 0.760 163 L CB -0.223 41.465 42.059 -0.619 0.000 0.910 163 L HN 0.137 nan 8.230 nan 0.000 0.437 164 K N -0.316 120.081 120.400 -0.005 0.000 2.063 164 K HA -0.138 4.182 4.320 -0.001 0.000 0.208 164 K C 2.280 178.901 176.600 0.035 0.000 1.048 164 K CA 1.572 57.917 56.287 0.097 0.000 0.928 164 K CB -0.083 32.448 32.500 0.051 0.000 0.713 164 K HN 0.159 nan 8.250 nan 0.000 0.442 165 S N 1.424 117.115 115.700 -0.015 0.000 2.361 165 S HA -0.178 4.291 4.470 -0.001 0.000 0.214 165 S C 1.775 176.374 174.600 -0.002 0.000 1.034 165 S CA 1.720 59.918 58.200 -0.004 0.000 1.025 165 S CB -0.357 62.840 63.200 -0.006 0.000 0.996 165 S HN 0.438 nan 8.310 nan 0.000 0.422 166 E N 0.275 120.444 120.200 -0.052 0.000 2.265 166 E HA -0.114 4.235 4.350 -0.001 0.000 0.196 166 E C 1.457 178.068 176.600 0.018 0.000 0.996 166 E CA 0.874 57.249 56.400 -0.042 0.000 0.832 166 E CB -0.326 29.326 29.700 -0.081 0.000 0.756 166 E HN 0.400 nan 8.360 nan 0.000 0.491 167 F N 0.892 120.801 119.950 -0.068 0.000 2.234 167 F HA 0.196 4.722 4.527 -0.001 0.000 0.296 167 F C 1.850 177.523 175.800 -0.211 0.000 1.089 167 F CA 1.074 58.954 58.000 -0.200 0.000 1.343 167 F CB -0.252 38.496 39.000 -0.420 0.000 1.040 167 F HN 0.202 nan 8.300 nan 0.000 0.498 168 G N 0.718 109.558 108.800 0.068 0.000 2.207 168 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.216 168 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.216 168 G C -0.358 174.533 174.900 -0.015 0.000 1.053 168 G CA -0.037 45.083 45.100 0.032 0.000 0.764 168 G HN 0.232 nan 8.290 nan 0.000 0.495 169 L N 0.000 121.216 121.223 -0.012 0.000 2.949 169 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 169 L CA 0.000 54.831 54.840 -0.014 0.000 0.813 169 L CB 0.000 42.014 42.059 -0.075 0.000 0.961 169 L HN 0.000 nan 8.230 nan 0.000 0.502