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 3gp5_1_B DATA FIRST_RESID 1 DATA SEQUENCE MYKLVLIRHG ESTWNKENRF TGWVDVDLTE QGNREARQAG QLLKEAGYTF DATA SEQUENCE DIAYTSVLKR AIRTLWHVQD QMDLMYVPVV HSWRLNERHY GALSGLNKAE DATA SEQUENCE TAAKYGDEQV LVWRRSYDTP PPALEPGDER APYADPRYAK VPREQLPLTE DATA SEQUENCE CLKDTVARVL PLWNESIAPA VKAGKQVLIA AHGNSLRALI KYLDGISDAD DATA SEQUENCE IVGLNIPNGV PLVYELDESL TPIRHYYLG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.070 176.300 -0.384 0.000 1.140 1 M CA 0.000 55.134 55.300 -0.277 0.000 0.988 1 M CB 0.000 32.542 32.600 -0.097 0.000 1.302 2 Y N 2.306 122.655 120.300 0.082 0.000 2.524 2 Y HA 0.629 5.178 4.550 -0.001 0.000 0.344 2 Y C -0.120 175.854 175.900 0.124 0.000 1.012 2 Y CA -0.758 57.401 58.100 0.097 0.000 1.068 2 Y CB 1.755 40.280 38.460 0.108 0.000 1.249 2 Y HN 0.400 nan 8.280 nan 0.000 0.468 3 K N 2.156 122.747 120.400 0.318 0.000 2.207 3 K HA 0.651 4.971 4.320 -0.001 0.000 0.255 3 K C -1.710 175.069 176.600 0.298 0.000 0.941 3 K CA -1.026 55.431 56.287 0.283 0.000 0.825 3 K CB 2.524 35.190 32.500 0.277 0.000 1.119 3 K HN 0.503 nan 8.250 nan 0.000 0.430 4 L N 2.456 123.850 121.223 0.284 0.000 2.385 4 L HA 0.430 4.770 4.340 -0.001 0.000 0.273 4 L C -1.407 175.604 176.870 0.235 0.000 0.990 4 L CA -0.682 54.312 54.840 0.256 0.000 0.821 4 L CB 1.995 44.192 42.059 0.231 0.000 1.279 4 L HN 0.329 nan 8.230 nan 0.000 0.412 5 V N 5.705 125.751 119.914 0.219 0.000 2.547 5 V HA 0.570 4.690 4.120 -0.001 0.000 0.299 5 V C -0.152 175.965 176.094 0.038 0.000 1.040 5 V CA -0.584 61.803 62.300 0.145 0.000 0.913 5 V CB 1.704 33.662 31.823 0.225 0.000 0.992 5 V HN 0.651 nan 8.190 nan 0.000 0.449 6 L N 5.067 126.308 121.223 0.030 0.000 2.354 6 L HA 0.735 5.074 4.340 -0.001 0.000 0.269 6 L C -0.792 176.086 176.870 0.013 0.000 1.005 6 L CA -0.559 54.279 54.840 -0.004 0.000 0.819 6 L CB 2.252 44.303 42.059 -0.014 0.000 1.311 6 L HN 0.556 nan 8.230 nan 0.000 0.423 7 I N 1.792 122.355 120.570 -0.012 0.000 2.722 7 I HA 0.356 4.526 4.170 -0.001 0.000 0.292 7 I C -0.880 175.214 176.117 -0.038 0.000 1.267 7 I CA -0.462 60.838 61.300 0.000 0.000 1.036 7 I CB 2.395 40.393 38.000 -0.003 0.000 1.281 7 I HN 0.674 nan 8.210 nan 0.000 0.423 8 R N 5.023 125.494 120.500 -0.048 0.000 2.410 8 R HA 0.339 4.678 4.340 -0.001 0.000 0.288 8 R C -0.546 175.658 176.300 -0.160 0.000 1.051 8 R CA -0.368 55.653 56.100 -0.131 0.000 1.021 8 R CB 0.630 30.828 30.300 -0.169 0.000 1.032 8 R HN 0.774 nan 8.270 nan 0.000 0.481 9 H N 0.996 119.998 119.070 -0.114 0.000 3.058 9 H HA 0.111 4.667 4.556 -0.001 0.000 0.347 9 H C 0.432 175.746 175.328 -0.024 0.000 1.087 9 H CA 0.197 56.193 56.048 -0.086 0.000 1.375 9 H CB 0.245 29.939 29.762 -0.113 0.000 1.312 9 H HN 0.750 nan 8.280 nan 0.000 0.607 10 G N 0.976 109.855 108.800 0.132 0.000 2.636 10 G HA2 0.026 3.985 3.960 -0.001 0.000 0.246 10 G HA3 0.026 3.985 3.960 -0.001 0.000 0.246 10 G C -0.483 174.542 174.900 0.207 0.000 1.216 10 G CA -0.488 44.667 45.100 0.091 0.000 0.854 10 G HN 0.958 nan 8.290 nan 0.000 0.572 11 E N -0.323 119.943 120.200 0.110 0.000 2.820 11 E HA 0.046 4.395 4.350 -0.001 0.000 0.251 11 E C 0.868 177.566 176.600 0.164 0.000 0.944 11 E CA 0.221 56.700 56.400 0.131 0.000 0.955 11 E CB 0.180 29.922 29.700 0.070 0.000 0.904 11 E HN 0.485 nan 8.360 nan 0.000 0.513 12 S N 2.376 118.200 115.700 0.207 0.000 2.713 12 S HA 0.169 4.639 4.470 -0.001 0.000 0.283 12 S C 1.340 176.013 174.600 0.121 0.000 1.161 12 S CA -0.067 58.200 58.200 0.113 0.000 0.999 12 S CB 1.524 64.756 63.200 0.053 0.000 1.039 12 S HN 0.652 nan 8.310 nan 0.000 0.548 13 T N -2.006 112.604 114.554 0.094 0.000 2.746 13 T HA -0.104 4.246 4.350 -0.001 0.000 0.267 13 T C 1.155 176.046 174.700 0.319 0.000 1.039 13 T CA 0.900 63.099 62.100 0.164 0.000 1.142 13 T CB -0.640 68.314 68.868 0.143 0.000 0.866 13 T HN 0.683 nan 8.240 nan 0.000 0.444 14 W N 2.634 123.943 121.300 0.016 0.000 2.519 14 W HA 0.270 4.930 4.660 -0.001 0.000 0.266 14 W C 1.979 178.505 176.519 0.011 0.000 1.253 14 W CA -0.583 56.768 57.345 0.009 0.000 1.274 14 W CB -1.148 28.320 29.460 0.015 0.000 1.114 14 W HN 0.462 nan 8.180 nan 0.000 0.596 15 N N 0.236 119.086 118.700 0.249 0.000 2.084 15 N HA -0.182 4.557 4.740 -0.001 0.000 0.190 15 N C 1.856 177.422 175.510 0.093 0.000 1.030 15 N CA 1.370 54.514 53.050 0.157 0.000 0.849 15 N CB -0.386 38.199 38.487 0.163 0.000 1.012 15 N HN 0.015 nan 8.380 nan 0.000 0.423 16 K N 1.422 121.882 120.400 0.100 0.000 2.097 16 K HA -0.116 4.203 4.320 -0.001 0.000 0.205 16 K C 0.956 177.576 176.600 0.034 0.000 1.050 16 K CA 1.189 57.513 56.287 0.061 0.000 0.938 16 K CB 0.104 32.642 32.500 0.064 0.000 0.718 16 K HN 0.279 nan 8.250 nan 0.000 0.442 17 E N 0.542 120.768 120.200 0.043 0.000 2.502 17 E HA -0.075 4.274 4.350 -0.001 0.000 0.194 17 E C -0.180 176.363 176.600 -0.095 0.000 1.062 17 E CA -0.144 56.240 56.400 -0.027 0.000 0.867 17 E CB -0.094 29.575 29.700 -0.051 0.000 0.888 17 E HN 0.284 nan 8.360 nan 0.000 0.510 18 N N 1.627 120.283 118.700 -0.073 0.000 2.738 18 N HA -0.204 4.536 4.740 -0.001 0.000 0.249 18 N C -1.396 173.953 175.510 -0.269 0.000 1.047 18 N CA 0.613 53.580 53.050 -0.139 0.000 0.707 18 N CB -0.883 37.531 38.487 -0.123 0.000 0.937 18 N HN 0.137 nan 8.380 nan 0.000 0.545 19 R N 0.099 120.437 120.500 -0.269 0.000 2.637 19 R HA 0.444 4.783 4.340 -0.001 0.000 0.291 19 R C -0.213 175.947 176.300 -0.233 0.000 0.963 19 R CA -0.792 55.067 56.100 -0.401 0.000 0.901 19 R CB 0.709 30.592 30.300 -0.695 0.000 1.160 19 R HN 0.047 nan 8.270 nan 0.000 0.457 20 F N 0.728 120.575 119.950 -0.172 0.000 2.538 20 F HA 0.066 4.593 4.527 -0.001 0.000 0.371 20 F C 1.453 177.359 175.800 0.177 0.000 1.087 20 F CA 0.387 58.281 58.000 -0.177 0.000 1.250 20 F CB 0.786 39.411 39.000 -0.624 0.000 1.110 20 F HN 0.554 nan 8.300 nan 0.000 0.570 21 T N 0.729 115.615 114.554 0.553 0.000 3.087 21 T HA 0.318 4.668 4.350 -0.001 0.000 0.237 21 T C 1.646 176.564 174.700 0.363 0.000 0.990 21 T CA 0.424 62.848 62.100 0.539 0.000 1.160 21 T CB -0.477 68.618 68.868 0.380 0.000 0.923 21 T HN 0.932 nan 8.240 nan 0.000 0.442 22 G N 1.270 110.295 108.800 0.376 0.000 2.660 22 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.321 22 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.321 22 G C 0.473 175.481 174.900 0.179 0.000 1.246 22 G CA 0.798 46.023 45.100 0.208 0.000 1.000 22 G HN 0.466 nan 8.290 nan 0.000 0.550 23 W N 1.034 122.168 121.300 -0.277 0.000 3.256 23 W HA 0.495 5.155 4.660 -0.001 0.000 0.269 23 W C 1.228 177.659 176.519 -0.145 0.000 1.310 23 W CA -0.020 57.202 57.345 -0.204 0.000 1.673 23 W CB -0.708 28.633 29.460 -0.198 0.000 1.115 23 W HN 0.327 nan 8.180 nan 0.000 0.686 24 V N 2.033 121.967 119.914 0.033 0.000 2.585 24 V HA -0.117 4.002 4.120 -0.001 0.000 0.296 24 V C 0.446 176.403 176.094 -0.229 0.000 1.035 24 V CA 0.184 62.419 62.300 -0.107 0.000 1.084 24 V CB 0.654 32.355 31.823 -0.203 0.000 0.953 24 V HN -0.154 nan 8.190 nan 0.000 0.483 25 D N 4.095 124.362 120.400 -0.223 0.000 2.741 25 D HA 0.252 4.891 4.640 -0.001 0.000 0.233 25 D C 0.083 176.207 176.300 -0.294 0.000 1.160 25 D CA -0.221 53.650 54.000 -0.215 0.000 1.003 25 D CB 0.203 40.915 40.800 -0.147 0.000 1.064 25 D HN 0.468 nan 8.370 nan 0.000 0.503 26 V N -0.833 118.838 119.914 -0.405 0.000 3.083 26 V HA 0.519 4.638 4.120 -0.001 0.000 0.306 26 V C 0.486 176.408 176.094 -0.287 0.000 1.077 26 V CA -0.712 61.315 62.300 -0.455 0.000 1.073 26 V CB 1.697 33.063 31.823 -0.762 0.000 1.081 26 V HN 0.058 nan 8.190 nan 0.000 0.474 27 D N 0.211 120.482 120.400 -0.215 0.000 2.494 27 D HA 0.510 5.150 4.640 -0.001 0.000 0.259 27 D C -0.343 175.904 176.300 -0.088 0.000 1.109 27 D CA -0.611 53.304 54.000 -0.141 0.000 1.040 27 D CB 1.707 42.446 40.800 -0.101 0.000 1.175 27 D HN 0.665 nan 8.370 nan 0.000 0.584 28 L N 0.715 121.911 121.223 -0.044 0.000 2.417 28 L HA 0.231 4.570 4.340 -0.001 0.000 0.268 28 L C 1.214 178.100 176.870 0.027 0.000 1.158 28 L CA -0.441 54.407 54.840 0.013 0.000 0.819 28 L CB 0.921 43.008 42.059 0.047 0.000 1.112 28 L HN 0.462 nan 8.230 nan 0.000 0.458 29 T N -2.241 112.339 114.554 0.043 0.000 2.788 29 T HA 0.068 4.418 4.350 -0.001 0.000 0.280 29 T C 0.886 175.607 174.700 0.035 0.000 0.984 29 T CA -0.507 61.618 62.100 0.042 0.000 0.972 29 T CB 1.234 70.130 68.868 0.047 0.000 1.039 29 T HN 0.666 nan 8.240 nan 0.000 0.530 30 E N 0.007 120.224 120.200 0.029 0.000 2.118 30 E HA -0.240 4.110 4.350 -0.001 0.000 0.195 30 E C 2.197 178.798 176.600 0.002 0.000 0.992 30 E CA 1.813 58.224 56.400 0.018 0.000 0.804 30 E CB -0.408 29.303 29.700 0.018 0.000 0.741 30 E HN 0.796 nan 8.360 nan 0.000 0.458 31 Q N -0.663 119.142 119.800 0.008 0.000 2.119 31 Q HA -0.099 4.241 4.340 -0.001 0.000 0.201 31 Q C 2.093 178.091 176.000 -0.003 0.000 0.972 31 Q CA 1.601 57.405 55.803 0.001 0.000 0.847 31 Q CB -0.498 28.245 28.738 0.009 0.000 0.903 31 Q HN 0.421 nan 8.270 nan 0.000 0.433 32 G N 0.917 109.728 108.800 0.018 0.000 2.418 32 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.217 32 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.217 32 G C 1.321 176.222 174.900 0.001 0.000 1.158 32 G CA 0.759 45.879 45.100 0.033 0.000 0.771 32 G HN 0.332 nan 8.290 nan 0.000 0.545 33 N N 0.312 118.998 118.700 -0.023 0.000 2.166 33 N HA -0.089 4.651 4.740 -0.001 0.000 0.186 33 N C 2.197 177.517 175.510 -0.317 0.000 1.019 33 N CA 0.803 53.754 53.050 -0.165 0.000 0.856 33 N CB -0.263 38.180 38.487 -0.072 0.000 0.993 33 N HN 0.342 nan 8.380 nan 0.000 0.426 34 R N 1.413 121.821 120.500 -0.154 0.000 2.066 34 R HA -0.062 4.277 4.340 -0.001 0.000 0.232 34 R C 1.712 177.957 176.300 -0.092 0.000 1.131 34 R CA 1.203 57.231 56.100 -0.120 0.000 0.955 34 R CB 0.053 30.317 30.300 -0.059 0.000 0.851 34 R HN 0.276 nan 8.270 nan 0.000 0.432 35 E N -0.037 120.128 120.200 -0.059 0.000 2.085 35 E HA -0.202 4.147 4.350 -0.001 0.000 0.194 35 E C 1.933 178.516 176.600 -0.028 0.000 0.994 35 E CA 1.377 57.756 56.400 -0.034 0.000 0.801 35 E CB -0.130 29.558 29.700 -0.020 0.000 0.743 35 E HN 0.442 nan 8.360 nan 0.000 0.453 36 A N 1.379 124.178 122.820 -0.036 0.000 1.877 36 A HA -0.194 4.125 4.320 -0.001 0.000 0.216 36 A C 2.057 179.652 177.584 0.018 0.000 1.186 36 A CA 1.306 53.355 52.037 0.019 0.000 0.620 36 A CB -0.394 18.671 19.000 0.109 0.000 0.822 36 A HN 0.069 nan 8.150 nan 0.000 0.443 37 R N -0.539 119.899 120.500 -0.102 0.000 2.096 37 R HA -0.202 4.137 4.340 -0.001 0.000 0.240 37 R C 2.476 178.783 176.300 0.011 0.000 1.139 37 R CA 1.983 58.058 56.100 -0.043 0.000 0.952 37 R CB -0.380 29.847 30.300 -0.123 0.000 0.854 37 R HN 0.712 nan 8.270 nan 0.000 0.436 38 Q N -0.366 119.429 119.800 -0.007 0.000 2.167 38 Q HA -0.052 4.287 4.340 -0.001 0.000 0.202 38 Q C 2.168 178.185 176.000 0.028 0.000 0.970 38 Q CA 1.206 57.016 55.803 0.011 0.000 0.855 38 Q CB -0.061 28.676 28.738 -0.001 0.000 0.911 38 Q HN 0.352 nan 8.270 nan 0.000 0.438 39 A N 1.246 124.084 122.820 0.031 0.000 1.902 39 A HA -0.136 4.183 4.320 -0.001 0.000 0.217 39 A C 2.295 179.921 177.584 0.070 0.000 1.181 39 A CA 1.671 53.735 52.037 0.045 0.000 0.623 39 A CB -1.264 17.762 19.000 0.043 0.000 0.818 39 A HN 0.473 nan 8.150 nan 0.000 0.443 40 G N -1.235 107.617 108.800 0.087 0.000 2.446 40 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.217 40 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.217 40 G C 1.598 176.555 174.900 0.095 0.000 1.168 40 G CA 1.092 46.259 45.100 0.111 0.000 0.771 40 G HN 0.427 nan 8.290 nan 0.000 0.551 41 Q N -0.443 119.400 119.800 0.073 0.000 2.084 41 Q HA -0.011 4.328 4.340 -0.001 0.000 0.202 41 Q C 2.686 178.724 176.000 0.064 0.000 0.978 41 Q CA 0.713 56.554 55.803 0.063 0.000 0.844 41 Q CB -0.536 28.230 28.738 0.047 0.000 0.898 41 Q HN 0.395 nan 8.270 nan 0.000 0.426 42 L N 0.178 121.436 121.223 0.058 0.000 2.027 42 L HA -0.117 4.222 4.340 -0.001 0.000 0.206 42 L C 2.283 179.193 176.870 0.066 0.000 1.074 42 L CA 1.358 56.231 54.840 0.055 0.000 0.745 42 L CB -0.955 41.129 42.059 0.042 0.000 0.898 42 L HN 0.177 nan 8.230 nan 0.000 0.433 43 L N -0.648 120.612 121.223 0.062 0.000 2.042 43 L HA -0.257 4.082 4.340 -0.001 0.000 0.210 43 L C 2.627 179.584 176.870 0.145 0.000 1.076 43 L CA 1.522 56.406 54.840 0.073 0.000 0.749 43 L CB -0.617 41.511 42.059 0.115 0.000 0.893 43 L HN 0.300 nan 8.230 nan 0.000 0.432 44 K N 0.571 121.038 120.400 0.112 0.000 2.025 44 K HA -0.188 4.131 4.320 -0.001 0.000 0.207 44 K C 1.860 178.514 176.600 0.089 0.000 1.049 44 K CA 1.537 57.880 56.287 0.093 0.000 0.933 44 K CB -0.016 32.532 32.500 0.079 0.000 0.714 44 K HN 0.363 nan 8.250 nan 0.000 0.438 45 E N -0.071 120.180 120.200 0.084 0.000 2.204 45 E HA -0.144 4.205 4.350 -0.001 0.000 0.195 45 E C 1.565 178.222 176.600 0.095 0.000 0.990 45 E CA 0.962 57.407 56.400 0.074 0.000 0.821 45 E CB -0.023 29.713 29.700 0.061 0.000 0.750 45 E HN 0.401 nan 8.360 nan 0.000 0.477 46 A N 0.124 123.034 122.820 0.150 0.000 2.251 46 A HA 0.274 4.593 4.320 -0.001 0.000 0.209 46 A C 1.653 179.351 177.584 0.190 0.000 1.187 46 A CA 0.723 52.886 52.037 0.210 0.000 0.823 46 A CB -0.193 19.004 19.000 0.328 0.000 0.846 46 A HN 0.315 nan 8.150 nan 0.000 0.486 47 G N -2.133 106.746 108.800 0.131 0.000 2.143 47 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.249 47 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.249 47 G C -0.018 174.850 174.900 -0.052 0.000 0.981 47 G CA 0.220 45.333 45.100 0.022 0.000 0.665 47 G HN 0.462 nan 8.290 nan 0.000 0.528 48 Y N 0.400 120.648 120.300 -0.086 0.000 2.346 48 Y HA 0.545 5.094 4.550 -0.001 0.000 0.330 48 Y C 1.207 176.894 175.900 -0.354 0.000 1.178 48 Y CA 1.026 59.001 58.100 -0.209 0.000 1.331 48 Y CB 1.406 39.747 38.460 -0.199 0.000 1.253 48 Y HN 0.135 nan 8.280 nan 0.000 0.529 49 T N 2.851 117.177 114.554 -0.380 0.000 2.888 49 T HA 0.718 5.067 4.350 -0.001 0.000 0.288 49 T C -1.733 172.493 174.700 -0.790 0.000 1.063 49 T CA -0.613 61.206 62.100 -0.469 0.000 1.010 49 T CB 0.635 69.404 68.868 -0.164 0.000 1.214 49 T HN 0.297 nan 8.240 nan 0.000 0.533 50 F N 0.506 120.496 119.950 0.067 0.000 2.601 50 F HA 0.453 4.979 4.527 -0.001 0.000 0.309 50 F C 0.734 176.537 175.800 0.005 0.000 1.089 50 F CA -1.023 57.003 58.000 0.043 0.000 0.940 50 F CB 1.875 40.890 39.000 0.025 0.000 1.273 50 F HN 0.493 nan 8.300 nan 0.000 0.450 51 D N 0.975 121.501 120.400 0.209 0.000 2.380 51 D HA 0.240 4.880 4.640 -0.001 0.000 0.212 51 D C -0.032 176.293 176.300 0.042 0.000 1.021 51 D CA 1.018 55.081 54.000 0.106 0.000 0.884 51 D CB 1.679 42.535 40.800 0.094 0.000 1.001 51 D HN 0.352 nan 8.370 nan 0.000 0.506 52 I N -0.038 120.554 120.570 0.037 0.000 2.841 52 I HA 0.484 4.653 4.170 -0.001 0.000 0.298 52 I C -2.033 173.996 176.117 -0.145 0.000 1.304 52 I CA -0.751 60.489 61.300 -0.099 0.000 1.019 52 I CB 2.173 40.095 38.000 -0.130 0.000 1.282 52 I HN -0.177 nan 8.210 nan 0.000 0.432 53 A N 5.388 128.036 122.820 -0.286 0.000 2.401 53 A HA 0.797 5.116 4.320 -0.001 0.000 0.310 53 A C -2.096 175.206 177.584 -0.470 0.000 1.075 53 A CA -0.307 51.559 52.037 -0.286 0.000 0.746 53 A CB 1.166 20.020 19.000 -0.244 0.000 1.277 53 A HN 0.623 nan 8.150 nan 0.000 0.425 54 Y N 0.130 120.325 120.300 -0.175 0.000 2.409 54 Y HA 0.739 5.288 4.550 -0.001 0.000 0.339 54 Y C 0.871 176.674 175.900 -0.161 0.000 1.033 54 Y CA 0.000 58.002 58.100 -0.164 0.000 1.094 54 Y CB 2.609 40.998 38.460 -0.117 0.000 1.210 54 Y HN 0.765 nan 8.280 nan 0.000 0.456 55 T N 0.348 114.888 114.554 -0.023 0.000 2.762 55 T HA 0.437 4.786 4.350 -0.001 0.000 0.301 55 T C -0.437 174.275 174.700 0.020 0.000 1.299 55 T CA -0.606 61.473 62.100 -0.034 0.000 1.005 55 T CB 0.740 69.558 68.868 -0.083 0.000 1.377 55 T HN 0.731 nan 8.240 nan 0.000 0.504 56 S N 0.134 115.858 115.700 0.040 0.000 2.625 56 S HA 0.303 4.772 4.470 -0.001 0.000 0.262 56 S C 1.391 176.042 174.600 0.084 0.000 1.223 56 S CA 0.271 58.522 58.200 0.084 0.000 0.993 56 S CB 0.118 63.450 63.200 0.219 0.000 1.051 56 S HN 1.163 nan 8.310 nan 0.000 0.562 57 V N -1.757 118.183 119.914 0.043 0.000 3.514 57 V HA 0.453 4.572 4.120 -0.001 0.000 0.301 57 V C -0.065 175.983 176.094 -0.077 0.000 1.346 57 V CA -0.206 62.086 62.300 -0.015 0.000 1.156 57 V CB -1.357 30.437 31.823 -0.048 0.000 1.029 57 V HN 0.569 nan 8.190 nan 0.000 0.428 58 L N 1.859 123.059 121.223 -0.039 0.000 2.282 58 L HA 0.455 4.794 4.340 -0.001 0.000 0.288 58 L C 1.571 178.378 176.870 -0.104 0.000 1.033 58 L CA -0.574 54.223 54.840 -0.072 0.000 0.807 58 L CB 1.819 43.846 42.059 -0.053 0.000 1.209 58 L HN 0.248 nan 8.230 nan 0.000 0.423 59 K N 3.724 124.021 120.400 -0.172 0.000 2.280 59 K HA -0.169 4.151 4.320 -0.001 0.000 0.202 59 K C 1.696 178.146 176.600 -0.250 0.000 1.047 59 K CA 1.284 57.422 56.287 -0.247 0.000 0.942 59 K CB -0.067 32.287 32.500 -0.245 0.000 0.739 59 K HN 0.664 nan 8.250 nan 0.000 0.457 60 R N 0.634 121.009 120.500 -0.207 0.000 2.115 60 R HA 0.035 4.374 4.340 -0.001 0.000 0.230 60 R C 2.189 178.382 176.300 -0.179 0.000 1.111 60 R CA 1.122 57.089 56.100 -0.221 0.000 0.976 60 R CB -0.431 29.652 30.300 -0.362 0.000 0.870 60 R HN 0.216 nan 8.270 nan 0.000 0.445 61 A N 1.783 124.488 122.820 -0.191 0.000 1.930 61 A HA 0.067 4.386 4.320 -0.001 0.000 0.215 61 A C 2.224 179.696 177.584 -0.187 0.000 1.176 61 A CA 0.780 52.689 52.037 -0.213 0.000 0.632 61 A CB -0.296 18.470 19.000 -0.390 0.000 0.819 61 A HN 0.268 nan 8.150 nan 0.000 0.445 62 I N -0.988 119.438 120.570 -0.241 0.000 2.252 62 I HA -0.213 3.957 4.170 -0.001 0.000 0.245 62 I C 2.693 178.445 176.117 -0.609 0.000 1.102 62 I CA 1.535 62.616 61.300 -0.365 0.000 1.385 62 I CB -0.282 37.467 38.000 -0.418 0.000 1.064 62 I HN 0.314 nan 8.210 nan 0.000 0.414 63 R N 0.426 120.590 120.500 -0.560 0.000 2.115 63 R HA -0.108 4.231 4.340 -0.001 0.000 0.226 63 R C 2.271 178.510 176.300 -0.102 0.000 1.100 63 R CA 1.570 57.377 56.100 -0.488 0.000 0.980 63 R CB -0.128 29.982 30.300 -0.316 0.000 0.875 63 R HN 0.247 nan 8.270 nan 0.000 0.445 64 T N 1.802 116.337 114.554 -0.032 0.000 2.708 64 T HA -0.168 4.181 4.350 -0.001 0.000 0.266 64 T C 1.648 176.400 174.700 0.087 0.000 1.037 64 T CA 1.344 63.498 62.100 0.090 0.000 1.146 64 T CB -0.239 68.661 68.868 0.052 0.000 0.865 64 T HN 0.147 nan 8.240 nan 0.000 0.435 65 L N 0.106 121.335 121.223 0.010 0.000 2.012 65 L HA -0.063 4.276 4.340 -0.001 0.000 0.210 65 L C 2.024 179.010 176.870 0.194 0.000 1.073 65 L CA 1.693 56.565 54.840 0.054 0.000 0.748 65 L CB -0.922 41.140 42.059 0.005 0.000 0.891 65 L HN 0.324 nan 8.230 nan 0.000 0.431 66 W N -0.074 121.192 121.300 -0.057 0.000 2.318 66 W HA -0.228 4.432 4.660 -0.001 0.000 0.313 66 W C 2.971 179.433 176.519 -0.094 0.000 1.221 66 W CA 1.658 58.941 57.345 -0.104 0.000 1.266 66 W CB -1.456 27.893 29.460 -0.185 0.000 1.150 66 W HN 0.352 nan 8.180 nan 0.000 0.496 67 H N -0.833 118.390 119.070 0.254 0.000 2.353 67 H HA -0.108 4.448 4.556 -0.001 0.000 0.300 67 H C 2.309 177.706 175.328 0.115 0.000 1.090 67 H CA 2.075 58.215 56.048 0.152 0.000 1.327 67 H CB -0.889 28.939 29.762 0.111 0.000 1.383 67 H HN -0.059 nan 8.280 nan 0.000 0.508 68 V N 1.356 121.406 119.914 0.228 0.000 2.255 68 V HA -0.300 3.819 4.120 -0.001 0.000 0.247 68 V C 2.536 178.721 176.094 0.150 0.000 1.051 68 V CA 1.916 64.316 62.300 0.166 0.000 1.018 68 V CB -0.540 31.359 31.823 0.127 0.000 0.641 68 V HN 0.434 nan 8.190 nan 0.000 0.445 69 Q N -0.719 119.157 119.800 0.126 0.000 2.061 69 Q HA -0.282 4.057 4.340 -0.001 0.000 0.204 69 Q C 2.181 178.222 176.000 0.068 0.000 0.984 69 Q CA 2.010 57.860 55.803 0.077 0.000 0.846 69 Q CB -0.368 28.389 28.738 0.032 0.000 0.902 69 Q HN 0.654 nan 8.270 nan 0.000 0.421 70 D N 0.274 120.718 120.400 0.073 0.000 2.087 70 D HA -0.190 4.449 4.640 -0.001 0.000 0.192 70 D C 1.937 178.290 176.300 0.088 0.000 0.993 70 D CA 1.311 55.350 54.000 0.065 0.000 0.828 70 D CB 0.035 40.881 40.800 0.077 0.000 0.968 70 D HN 0.108 nan 8.370 nan 0.000 0.448 71 Q N -0.679 119.190 119.800 0.115 0.000 2.226 71 Q HA -0.046 4.293 4.340 -0.001 0.000 0.204 71 Q C 2.142 178.197 176.000 0.093 0.000 0.975 71 Q CA 0.769 56.633 55.803 0.102 0.000 0.866 71 Q CB -0.189 28.614 28.738 0.108 0.000 0.915 71 Q HN 0.519 nan 8.270 nan 0.000 0.440 72 M N -0.228 119.433 119.600 0.102 0.000 2.495 72 M HA 0.014 4.493 4.480 -0.001 0.000 0.237 72 M C -0.268 176.086 176.300 0.091 0.000 1.131 72 M CA 0.090 55.450 55.300 0.100 0.000 1.032 72 M CB 0.268 32.947 32.600 0.131 0.000 1.513 72 M HN -0.043 nan 8.290 nan 0.000 0.488 73 D N 1.723 122.175 120.400 0.088 0.000 2.705 73 D HA -0.168 4.472 4.640 -0.001 0.000 0.240 73 D C -0.637 175.743 176.300 0.133 0.000 1.137 73 D CA 0.625 54.689 54.000 0.107 0.000 0.677 73 D CB -1.052 39.815 40.800 0.112 0.000 1.049 73 D HN 0.412 nan 8.370 nan 0.000 0.427 74 L N 0.191 121.431 121.223 0.029 0.000 3.255 74 L HA 0.316 4.655 4.340 -0.001 0.000 0.293 74 L C 1.772 178.468 176.870 -0.290 0.000 1.302 74 L CA -0.425 54.290 54.840 -0.208 0.000 0.977 74 L CB 0.127 42.113 42.059 -0.121 0.000 1.390 74 L HN 0.122 nan 8.230 nan 0.000 0.588 75 M N -0.523 119.015 119.600 -0.103 0.000 2.557 75 M HA -0.115 4.365 4.480 -0.001 0.000 0.259 75 M C 1.663 177.910 176.300 -0.087 0.000 1.086 75 M CA 1.756 57.002 55.300 -0.091 0.000 1.096 75 M CB -0.133 32.438 32.600 -0.049 0.000 1.424 75 M HN 0.505 nan 8.290 nan 0.000 0.488 76 Y N -0.787 119.503 120.300 -0.018 0.000 2.482 76 Y HA 0.380 4.930 4.550 -0.001 0.000 0.270 76 Y C 0.649 176.545 175.900 -0.008 0.000 1.152 76 Y CA -1.149 56.940 58.100 -0.018 0.000 1.292 76 Y CB -1.210 37.242 38.460 -0.013 0.000 1.070 76 Y HN -0.023 nan 8.280 nan 0.000 0.528 77 V N -0.029 119.585 119.914 -0.500 0.000 2.811 77 V HA 0.353 4.472 4.120 -0.001 0.000 0.302 77 V C -2.299 173.721 176.094 -0.125 0.000 1.063 77 V CA -2.531 59.608 62.300 -0.270 0.000 1.088 77 V CB 0.307 31.960 31.823 -0.284 0.000 0.982 77 V HN 0.019 nan 8.190 nan 0.000 0.485 78 P HA 0.276 nan 4.420 nan 0.000 0.265 78 P C -0.680 176.506 177.300 -0.190 0.000 1.193 78 P CA 0.039 63.078 63.100 -0.101 0.000 0.765 78 P CB 0.748 32.391 31.700 -0.094 0.000 0.823 79 V N 3.987 123.780 119.914 -0.201 0.000 2.540 79 V HA 0.232 4.352 4.120 -0.001 0.000 0.302 79 V C 0.078 175.906 176.094 -0.445 0.000 1.035 79 V CA -0.786 61.295 62.300 -0.365 0.000 0.873 79 V CB 2.340 33.947 31.823 -0.360 0.000 0.992 79 V HN 0.216 nan 8.190 nan 0.000 0.428 80 V N 4.559 124.147 119.914 -0.543 0.000 2.364 80 V HA 0.339 4.458 4.120 -0.001 0.000 0.272 80 V C -0.438 175.463 176.094 -0.321 0.000 1.036 80 V CA -0.614 61.472 62.300 -0.355 0.000 0.880 80 V CB 0.668 32.287 31.823 -0.341 0.000 0.991 80 V HN 0.916 nan 8.190 nan 0.000 0.460 81 H N 2.316 121.376 119.070 -0.016 0.000 2.690 81 H HA 0.537 5.092 4.556 -0.001 0.000 0.289 81 H C 0.212 175.567 175.328 0.044 0.000 1.089 81 H CA 0.084 56.137 56.048 0.008 0.000 1.299 81 H CB 1.107 30.867 29.762 -0.004 0.000 1.405 81 H HN 0.595 nan 8.280 nan 0.000 0.463 82 S N 3.934 119.708 115.700 0.123 0.000 2.502 82 S HA 0.070 4.540 4.470 -0.001 0.000 0.304 82 S C 1.022 175.656 174.600 0.057 0.000 1.097 82 S CA -1.066 57.185 58.200 0.084 0.000 1.045 82 S CB 0.542 63.733 63.200 -0.014 0.000 1.019 82 S HN 0.861 nan 8.310 nan 0.000 0.481 83 W N 5.690 127.011 121.300 0.034 0.000 2.389 83 W HA -0.112 4.548 4.660 -0.001 0.000 0.267 83 W C 0.788 177.277 176.519 -0.050 0.000 1.219 83 W CA 0.541 57.876 57.345 -0.018 0.000 1.189 83 W CB -0.697 28.830 29.460 0.112 0.000 1.129 83 W HN 0.710 nan 8.180 nan 0.000 0.581 84 R N 0.720 120.814 120.500 -0.677 0.000 2.280 84 R HA 0.077 4.416 4.340 -0.001 0.000 0.207 84 R C 1.970 178.105 176.300 -0.274 0.000 1.043 84 R CA 0.622 56.314 56.100 -0.680 0.000 1.006 84 R CB -0.216 29.649 30.300 -0.725 0.000 0.885 84 R HN 0.283 nan 8.270 nan 0.000 0.467 85 L N 0.627 121.760 121.223 -0.150 0.000 2.667 85 L HA 0.118 4.457 4.340 -0.001 0.000 0.232 85 L C -0.154 176.746 176.870 0.051 0.000 1.138 85 L CA -0.370 54.449 54.840 -0.034 0.000 0.921 85 L CB -0.018 42.042 42.059 0.001 0.000 1.180 85 L HN 0.041 nan 8.230 nan 0.000 0.487 86 N N 1.330 119.980 118.700 -0.084 0.000 2.441 86 N HA -0.043 4.697 4.740 -0.001 0.000 0.251 86 N C 0.225 175.614 175.510 -0.202 0.000 1.242 86 N CA 0.165 53.040 53.050 -0.292 0.000 0.898 86 N CB 0.401 38.416 38.487 -0.786 0.000 1.100 86 N HN 0.016 nan 8.380 nan 0.000 0.443 87 E N 1.385 121.281 120.200 -0.507 0.000 2.437 87 E HA -0.108 4.242 4.350 -0.001 0.000 0.263 87 E C 0.019 176.689 176.600 0.117 0.000 1.030 87 E CA -0.271 56.013 56.400 -0.194 0.000 0.934 87 E CB 0.490 30.020 29.700 -0.283 0.000 0.943 87 E HN 0.241 nan 8.360 nan 0.000 0.444 88 R N 3.959 124.510 120.500 0.086 0.000 2.500 88 R HA -0.161 4.178 4.340 -0.001 0.000 0.281 88 R C -0.550 175.777 176.300 0.046 0.000 0.953 88 R CA 0.292 56.421 56.100 0.049 0.000 1.108 88 R CB -0.124 30.110 30.300 -0.110 0.000 0.901 88 R HN 0.688 nan 8.270 nan 0.000 0.410 89 H N 4.410 123.425 119.070 -0.091 0.000 2.722 89 H HA -0.033 4.523 4.556 -0.001 0.000 0.328 89 H C -0.345 174.831 175.328 -0.253 0.000 1.067 89 H CA 0.315 56.182 56.048 -0.300 0.000 1.447 89 H CB 0.536 29.867 29.762 -0.719 0.000 1.469 89 H HN 0.554 nan 8.280 nan 0.000 0.544 90 Y N 3.439 123.639 120.300 -0.165 0.000 2.468 90 Y HA 0.111 4.661 4.550 -0.001 0.000 0.268 90 Y C 1.662 177.448 175.900 -0.190 0.000 1.177 90 Y CA 0.582 58.595 58.100 -0.145 0.000 1.265 90 Y CB 0.108 38.501 38.460 -0.111 0.000 1.103 90 Y HN 1.083 nan 8.280 nan 0.000 0.522 91 G N 1.078 109.977 108.800 0.164 0.000 2.574 91 G HA2 -0.362 3.598 3.960 -0.001 0.000 0.286 91 G HA3 -0.362 3.598 3.960 -0.001 0.000 0.286 91 G C 1.255 176.116 174.900 -0.064 0.000 1.212 91 G CA 0.336 45.461 45.100 0.042 0.000 0.979 91 G HN 0.609 nan 8.290 nan 0.000 0.557 92 A N -0.442 122.275 122.820 -0.171 0.000 2.235 92 A HA 0.509 4.828 4.320 -0.001 0.000 0.208 92 A C 2.338 179.767 177.584 -0.258 0.000 1.172 92 A CA 1.527 53.457 52.037 -0.179 0.000 0.786 92 A CB -0.326 18.561 19.000 -0.189 0.000 0.804 92 A HN 0.773 nan 8.150 nan 0.000 0.479 93 L N -0.205 120.789 121.223 -0.382 0.000 2.418 93 L HA 0.026 4.365 4.340 -0.001 0.000 0.218 93 L C 0.561 177.293 176.870 -0.231 0.000 1.125 93 L CA -0.108 54.421 54.840 -0.519 0.000 0.835 93 L CB -0.315 41.045 42.059 -1.165 0.000 0.953 93 L HN 0.169 nan 8.230 nan 0.000 0.454 94 S N 0.727 116.380 115.700 -0.079 0.000 2.546 94 S HA 0.290 4.760 4.470 -0.001 0.000 0.290 94 S C 1.220 175.892 174.600 0.119 0.000 1.262 94 S CA 0.627 58.893 58.200 0.111 0.000 1.083 94 S CB 0.772 64.038 63.200 0.111 0.000 0.859 94 S HN 0.596 nan 8.310 nan 0.000 0.495 95 G N 2.289 111.119 108.800 0.051 0.000 2.254 95 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.225 95 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.225 95 G C 0.032 174.690 174.900 -0.404 0.000 1.003 95 G CA -0.427 44.404 45.100 -0.448 0.000 0.622 95 G HN 0.580 nan 8.290 nan 0.000 0.507 96 L N 1.505 122.663 121.223 -0.108 0.000 2.417 96 L HA 0.309 4.648 4.340 -0.001 0.000 0.268 96 L C 0.826 177.624 176.870 -0.119 0.000 1.158 96 L CA -0.704 54.114 54.840 -0.037 0.000 0.819 96 L CB 0.674 42.799 42.059 0.111 0.000 1.112 96 L HN 0.336 nan 8.230 nan 0.000 0.458 97 N N 2.090 120.699 118.700 -0.151 0.000 2.497 97 N HA 0.021 4.761 4.740 -0.001 0.000 0.271 97 N C 0.505 175.891 175.510 -0.206 0.000 1.142 97 N CA -0.035 52.882 53.050 -0.221 0.000 0.965 97 N CB 1.242 39.634 38.487 -0.157 0.000 1.077 97 N HN 0.558 nan 8.380 nan 0.000 0.462 98 K N 2.907 123.043 120.400 -0.439 0.000 2.057 98 K HA -0.092 4.228 4.320 -0.001 0.000 0.206 98 K C 1.787 178.320 176.600 -0.112 0.000 1.050 98 K CA 1.538 57.538 56.287 -0.477 0.000 0.935 98 K CB -0.097 31.982 32.500 -0.702 0.000 0.715 98 K HN 0.634 nan 8.250 nan 0.000 0.439 99 A N 1.832 124.592 122.820 -0.100 0.000 1.933 99 A HA -0.196 4.123 4.320 -0.001 0.000 0.218 99 A C 1.910 179.502 177.584 0.012 0.000 1.175 99 A CA 1.416 53.436 52.037 -0.029 0.000 0.628 99 A CB -0.338 18.639 19.000 -0.039 0.000 0.814 99 A HN 0.288 nan 8.150 nan 0.000 0.444 100 E N -0.839 119.366 120.200 0.007 0.000 2.106 100 E HA -0.116 4.234 4.350 -0.001 0.000 0.192 100 E C 1.939 178.609 176.600 0.118 0.000 0.984 100 E CA 1.546 57.969 56.400 0.039 0.000 0.806 100 E CB -0.211 29.499 29.700 0.017 0.000 0.750 100 E HN 0.618 nan 8.360 nan 0.000 0.458 101 T N 0.629 115.301 114.554 0.196 0.000 2.857 101 T HA -0.037 4.312 4.350 -0.001 0.000 0.266 101 T C 1.971 176.903 174.700 0.386 0.000 1.048 101 T CA 0.934 63.265 62.100 0.386 0.000 1.139 101 T CB -0.054 69.097 68.868 0.471 0.000 0.874 101 T HN 0.198 nan 8.240 nan 0.000 0.455 102 A N 1.388 124.351 122.820 0.239 0.000 1.969 102 A HA 0.263 4.583 4.320 -0.001 0.000 0.218 102 A C 2.572 180.219 177.584 0.105 0.000 1.169 102 A CA 1.560 53.696 52.037 0.166 0.000 0.635 102 A CB -0.867 18.195 19.000 0.104 0.000 0.810 102 A HN 0.490 nan 8.150 nan 0.000 0.445 103 A N -0.495 122.371 122.820 0.077 0.000 1.929 103 A HA -0.062 4.258 4.320 -0.001 0.000 0.216 103 A C 2.105 179.685 177.584 -0.008 0.000 1.176 103 A CA 1.814 53.867 52.037 0.026 0.000 0.628 103 A CB -0.287 18.720 19.000 0.012 0.000 0.816 103 A HN 0.516 nan 8.150 nan 0.000 0.444 104 K N -1.865 118.525 120.400 -0.017 0.000 2.067 104 K HA -0.013 4.306 4.320 -0.001 0.000 0.203 104 K C 1.200 177.606 176.600 -0.323 0.000 1.048 104 K CA 1.173 57.337 56.287 -0.206 0.000 0.954 104 K CB -0.127 32.189 32.500 -0.305 0.000 0.737 104 K HN 0.525 nan 8.250 nan 0.000 0.444 105 Y N -0.118 120.222 120.300 0.067 0.000 2.457 105 Y HA 0.302 4.851 4.550 -0.001 0.000 0.263 105 Y C 0.444 176.318 175.900 -0.043 0.000 1.164 105 Y CA 0.143 58.264 58.100 0.036 0.000 1.274 105 Y CB 1.233 39.760 38.460 0.112 0.000 1.097 105 Y HN 0.230 nan 8.280 nan 0.000 0.523 106 G N 0.595 109.448 108.800 0.088 0.000 2.788 106 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.686 106 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.686 106 G C -0.374 174.538 174.900 0.020 0.000 1.147 106 G CA -0.373 44.742 45.100 0.024 0.000 0.755 106 G HN 0.251 nan 8.290 nan 0.000 0.634 107 D N 0.092 120.502 120.400 0.016 0.000 2.133 107 D HA -0.099 4.540 4.640 -0.001 0.000 0.195 107 D C 2.038 178.334 176.300 -0.006 0.000 0.997 107 D CA 1.729 55.741 54.000 0.020 0.000 0.840 107 D CB 0.164 40.973 40.800 0.015 0.000 0.947 107 D HN 0.704 nan 8.370 nan 0.000 0.452 108 E N 0.107 120.284 120.200 -0.038 0.000 2.047 108 E HA -0.277 4.072 4.350 -0.001 0.000 0.191 108 E C 2.025 178.539 176.600 -0.143 0.000 0.987 108 E CA 0.891 57.252 56.400 -0.065 0.000 0.799 108 E CB 0.039 29.702 29.700 -0.061 0.000 0.752 108 E HN 0.052 nan 8.360 nan 0.000 0.449 109 Q N 0.587 120.244 119.800 -0.239 0.000 2.077 109 Q HA -0.159 4.180 4.340 -0.001 0.000 0.206 109 Q C 2.106 177.746 176.000 -0.600 0.000 0.989 109 Q CA 2.076 57.545 55.803 -0.557 0.000 0.853 109 Q CB -0.474 27.842 28.738 -0.703 0.000 0.907 109 Q HN 0.248 nan 8.270 nan 0.000 0.418 110 V N 0.313 120.097 119.914 -0.217 0.000 2.332 110 V HA -0.260 3.859 4.120 -0.001 0.000 0.248 110 V C 2.349 178.539 176.094 0.161 0.000 1.055 110 V CA 1.760 64.140 62.300 0.133 0.000 1.038 110 V CB -0.595 31.382 31.823 0.257 0.000 0.651 110 V HN 0.398 nan 8.190 nan 0.000 0.450 111 L N -0.556 120.708 121.223 0.068 0.000 2.081 111 L HA -0.197 4.142 4.340 -0.001 0.000 0.212 111 L C 2.321 179.242 176.870 0.086 0.000 1.080 111 L CA 1.484 56.373 54.840 0.083 0.000 0.754 111 L CB -0.225 41.856 42.059 0.037 0.000 0.893 111 L HN 0.176 nan 8.230 nan 0.000 0.433 112 V N -1.984 117.931 119.914 0.002 0.000 2.379 112 V HA -0.240 3.880 4.120 -0.001 0.000 0.245 112 V C 2.127 178.307 176.094 0.143 0.000 1.044 112 V CA 1.357 63.663 62.300 0.009 0.000 1.036 112 V CB -0.646 31.105 31.823 -0.120 0.000 0.664 112 V HN 0.525 nan 8.190 nan 0.000 0.453 113 W N 0.931 122.269 121.300 0.062 0.000 2.342 113 W HA -0.088 4.571 4.660 -0.001 0.000 0.297 113 W C 2.673 179.301 176.519 0.182 0.000 1.213 113 W CA 1.229 58.614 57.345 0.067 0.000 1.251 113 W CB -0.749 28.703 29.460 -0.015 0.000 1.136 113 W HN 0.234 nan 8.180 nan 0.000 0.526 114 R N -0.903 119.868 120.500 0.450 0.000 2.140 114 R HA 0.026 4.365 4.340 -0.001 0.000 0.213 114 R C 1.824 178.304 176.300 0.299 0.000 1.059 114 R CA 0.723 57.103 56.100 0.467 0.000 1.000 114 R CB 0.061 30.622 30.300 0.436 0.000 0.910 114 R HN -0.116 nan 8.270 nan 0.000 0.455 115 R N -0.086 120.543 120.500 0.216 0.000 2.539 115 R HA 0.124 4.464 4.340 -0.001 0.000 0.342 115 R C 0.189 176.574 176.300 0.141 0.000 0.941 115 R CA 0.094 56.291 56.100 0.161 0.000 1.146 115 R CB 0.972 31.355 30.300 0.138 0.000 1.541 115 R HN 0.080 nan 8.270 nan 0.000 0.525 116 S N -0.089 115.693 115.700 0.137 0.000 2.572 116 S HA -0.006 4.464 4.470 -0.001 0.000 0.279 116 S C 1.009 175.702 174.600 0.156 0.000 1.341 116 S CA -0.351 57.928 58.200 0.131 0.000 1.043 116 S CB 0.800 64.061 63.200 0.102 0.000 0.887 116 S HN 0.270 nan 8.310 nan 0.000 0.516 117 Y N 2.095 122.417 120.300 0.037 0.000 2.263 117 Y HA 0.008 4.558 4.550 -0.001 0.000 0.292 117 Y C 1.624 177.538 175.900 0.024 0.000 1.130 117 Y CA 2.040 60.155 58.100 0.026 0.000 1.179 117 Y CB 0.004 38.475 38.460 0.019 0.000 0.998 117 Y HN 0.896 nan 8.280 nan 0.000 0.532 118 D N -2.786 117.597 120.400 -0.029 0.000 2.520 118 D HA 0.095 4.735 4.640 -0.001 0.000 0.223 118 D C -0.321 175.956 176.300 -0.038 0.000 1.186 118 D CA 0.091 54.022 54.000 -0.116 0.000 0.821 118 D CB -0.565 40.215 40.800 -0.033 0.000 1.072 118 D HN 0.065 nan 8.370 nan 0.000 0.518 119 T N 4.213 118.778 114.554 0.019 0.000 2.762 119 T HA 0.376 4.725 4.350 -0.001 0.000 0.303 119 T C -2.546 172.215 174.700 0.101 0.000 0.977 119 T CA -1.094 61.045 62.100 0.065 0.000 0.961 119 T CB 1.829 70.751 68.868 0.089 0.000 0.944 119 T HN 0.094 nan 8.240 nan 0.000 0.481 120 P HA 0.306 nan 4.420 nan 0.000 0.275 120 P C -2.710 174.596 177.300 0.010 0.000 1.228 120 P CA -1.801 61.299 63.100 -0.000 0.000 0.786 120 P CB -0.046 31.616 31.700 -0.064 0.000 0.927 121 P HA 0.126 nan 4.420 nan 0.000 0.269 121 P C -2.258 174.803 177.300 -0.398 0.000 1.217 121 P CA -1.165 61.631 63.100 -0.506 0.000 0.783 121 P CB -1.444 30.005 31.700 -0.420 0.000 0.898 122 P HA 0.050 nan 4.420 nan 0.000 0.267 122 P C -0.546 176.597 177.300 -0.261 0.000 1.200 122 P CA 0.197 63.107 63.100 -0.317 0.000 0.772 122 P CB 0.242 31.732 31.700 -0.350 0.000 0.855 123 A N 3.932 126.645 122.820 -0.178 0.000 2.354 123 A HA 0.349 4.669 4.320 -0.001 0.000 0.269 123 A C 0.491 177.997 177.584 -0.129 0.000 1.109 123 A CA -0.635 51.307 52.037 -0.158 0.000 0.800 123 A CB -0.312 18.606 19.000 -0.136 0.000 1.045 123 A HN 0.533 nan 8.150 nan 0.000 0.489 124 L N 2.067 123.222 121.223 -0.114 0.000 2.485 124 L HA 0.070 4.410 4.340 -0.001 0.000 0.275 124 L C 0.627 177.459 176.870 -0.063 0.000 1.207 124 L CA -0.326 54.470 54.840 -0.073 0.000 0.855 124 L CB 0.172 42.201 42.059 -0.051 0.000 1.114 124 L HN 0.650 nan 8.230 nan 0.000 0.485 125 E N 3.341 123.520 120.200 -0.036 0.000 2.415 125 E HA 0.011 4.360 4.350 -0.001 0.000 0.262 125 E C -1.539 175.070 176.600 0.015 0.000 1.038 125 E CA -1.585 54.806 56.400 -0.015 0.000 0.921 125 E CB 0.293 29.989 29.700 -0.007 0.000 0.950 125 E HN 0.358 nan 8.360 nan 0.000 0.438 126 P HA -0.101 nan 4.420 nan 0.000 0.219 126 P C 0.947 178.333 177.300 0.143 0.000 1.146 126 P CA 1.316 64.497 63.100 0.134 0.000 0.808 126 P CB 0.253 31.992 31.700 0.066 0.000 0.779 127 G N -1.244 107.597 108.800 0.069 0.000 3.314 127 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.238 127 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.238 127 G C 0.133 175.063 174.900 0.050 0.000 1.184 127 G CA -0.131 45.005 45.100 0.061 0.000 0.806 127 G HN 0.175 nan 8.290 nan 0.000 0.536 128 D N 0.231 120.656 120.400 0.043 0.000 2.414 128 D HA 0.271 4.911 4.640 -0.001 0.000 0.242 128 D C 1.630 177.953 176.300 0.039 0.000 1.129 128 D CA 0.546 54.564 54.000 0.030 0.000 0.885 128 D CB 1.162 41.971 40.800 0.015 0.000 1.198 128 D HN 0.257 nan 8.370 nan 0.000 0.437 129 E N 3.911 124.134 120.200 0.039 0.000 2.130 129 E HA -0.234 4.115 4.350 -0.001 0.000 0.196 129 E C 1.958 178.587 176.600 0.047 0.000 0.998 129 E CA 1.395 57.822 56.400 0.044 0.000 0.806 129 E CB -0.510 29.216 29.700 0.043 0.000 0.738 129 E HN 0.597 nan 8.360 nan 0.000 0.459 130 R N -0.045 120.482 120.500 0.045 0.000 2.339 130 R HA 0.294 4.633 4.340 -0.001 0.000 0.199 130 R C 1.329 177.647 176.300 0.030 0.000 1.018 130 R CA 0.207 56.336 56.100 0.049 0.000 1.036 130 R CB -0.282 30.049 30.300 0.051 0.000 0.899 130 R HN 0.436 nan 8.270 nan 0.000 0.473 131 A N 2.161 124.976 122.820 -0.008 0.000 2.425 131 A HA 0.168 4.487 4.320 -0.001 0.000 0.242 131 A C -1.450 176.051 177.584 -0.140 0.000 1.077 131 A CA -1.062 50.894 52.037 -0.135 0.000 0.781 131 A CB 0.131 19.064 19.000 -0.112 0.000 1.020 131 A HN 0.025 nan 8.150 nan 0.000 0.494 132 P HA 0.020 nan 4.420 nan 0.000 0.251 132 P C 0.346 177.646 177.300 0.000 0.000 1.223 132 P CA 0.691 63.736 63.100 -0.092 0.000 0.796 132 P CB 0.036 31.567 31.700 -0.282 0.000 1.068 133 Y N 1.302 121.641 120.300 0.065 0.000 2.274 133 Y HA 0.008 4.557 4.550 -0.001 0.000 0.290 133 Y C 2.574 178.506 175.900 0.053 0.000 1.145 133 Y CA 1.192 59.313 58.100 0.036 0.000 1.203 133 Y CB -1.354 37.102 38.460 -0.007 0.000 0.984 133 Y HN -0.002 nan 8.280 nan 0.000 0.533 134 A N -1.084 121.852 122.820 0.193 0.000 2.308 134 A HA 0.052 4.371 4.320 -0.001 0.000 0.217 134 A C 0.317 177.951 177.584 0.082 0.000 1.216 134 A CA -0.088 52.020 52.037 0.119 0.000 0.864 134 A CB -0.198 18.858 19.000 0.093 0.000 0.902 134 A HN 0.137 nan 8.150 nan 0.000 0.499 135 D N 0.519 120.987 120.400 0.113 0.000 2.317 135 D HA 0.231 4.871 4.640 -0.001 0.000 0.252 135 D C -1.741 174.521 176.300 -0.064 0.000 1.174 135 D CA -1.854 52.169 54.000 0.038 0.000 0.866 135 D CB 1.490 42.361 40.800 0.117 0.000 1.127 135 D HN -0.017 nan 8.370 nan 0.000 0.467 136 P HA -0.098 nan 4.420 nan 0.000 0.219 136 P C 1.119 178.289 177.300 -0.217 0.000 1.146 136 P CA 0.955 63.981 63.100 -0.123 0.000 0.808 136 P CB 0.258 31.898 31.700 -0.100 0.000 0.779 137 R N -1.566 118.686 120.500 -0.413 0.000 2.127 137 R HA -0.143 4.196 4.340 -0.001 0.000 0.238 137 R C 1.265 177.196 176.300 -0.616 0.000 1.134 137 R CA 1.318 57.043 56.100 -0.625 0.000 0.975 137 R CB -0.590 29.076 30.300 -1.056 0.000 0.865 137 R HN 0.335 nan 8.270 nan 0.000 0.447 138 Y N -1.277 118.981 120.300 -0.070 0.000 2.507 138 Y HA 0.378 4.927 4.550 -0.001 0.000 0.254 138 Y C 1.738 177.561 175.900 -0.128 0.000 1.171 138 Y CA -0.550 57.462 58.100 -0.147 0.000 1.238 138 Y CB -0.180 38.216 38.460 -0.106 0.000 1.148 138 Y HN -0.003 nan 8.280 nan 0.000 0.525 139 A N 1.077 123.890 122.820 -0.012 0.000 1.986 139 A HA -0.210 4.110 4.320 -0.001 0.000 0.220 139 A C 2.256 179.834 177.584 -0.010 0.000 1.171 139 A CA 2.312 54.348 52.037 -0.002 0.000 0.640 139 A CB -0.671 18.318 19.000 -0.018 0.000 0.811 139 A HN 0.376 nan 8.150 nan 0.000 0.451 140 K N -0.672 119.713 120.400 -0.024 0.000 2.404 140 K HA 0.521 4.840 4.320 -0.001 0.000 0.194 140 K C 0.423 176.997 176.600 -0.044 0.000 1.023 140 K CA 0.634 56.913 56.287 -0.014 0.000 1.094 140 K CB -0.676 31.833 32.500 0.016 0.000 0.841 140 K HN 0.262 nan 8.250 nan 0.000 0.523 141 V N 3.321 123.154 119.914 -0.135 0.000 2.488 141 V HA 0.198 4.317 4.120 -0.001 0.000 0.277 141 V C -2.404 173.606 176.094 -0.139 0.000 1.046 141 V CA -1.981 60.154 62.300 -0.275 0.000 0.986 141 V CB 1.040 32.441 31.823 -0.704 0.000 0.989 141 V HN 0.308 nan 8.190 nan 0.000 0.475 142 P HA 0.192 nan 4.420 nan 0.000 0.268 142 P C 0.771 178.048 177.300 -0.038 0.000 1.204 142 P CA -0.105 62.976 63.100 -0.033 0.000 0.768 142 P CB 0.522 32.224 31.700 0.004 0.000 0.842 143 R N 2.490 122.984 120.500 -0.009 0.000 2.139 143 R HA -0.174 4.165 4.340 -0.001 0.000 0.243 143 R C 1.782 178.109 176.300 0.046 0.000 1.145 143 R CA 1.421 57.543 56.100 0.036 0.000 0.976 143 R CB -0.131 30.148 30.300 -0.035 0.000 0.866 143 R HN 0.641 nan 8.270 nan 0.000 0.449 144 E N 0.611 120.814 120.200 0.004 0.000 2.482 144 E HA -0.166 4.183 4.350 -0.001 0.000 0.196 144 E C 0.841 177.445 176.600 0.006 0.000 1.047 144 E CA 0.920 57.322 56.400 0.004 0.000 0.869 144 E CB 0.139 29.836 29.700 -0.005 0.000 0.836 144 E HN 0.428 nan 8.360 nan 0.000 0.520 145 Q N 0.370 120.170 119.800 -0.001 0.000 2.319 145 Q HA 0.304 4.643 4.340 -0.001 0.000 0.202 145 Q C 0.143 176.128 176.000 -0.025 0.000 0.896 145 Q CA -0.128 55.697 55.803 0.036 0.000 0.942 145 Q CB 0.692 29.508 28.738 0.130 0.000 1.083 145 Q HN 0.234 nan 8.270 nan 0.000 0.510 146 L N 3.395 124.551 121.223 -0.111 0.000 2.276 146 L HA 0.365 4.704 4.340 -0.001 0.000 0.286 146 L C -2.087 174.564 176.870 -0.364 0.000 1.061 146 L CA -1.882 52.805 54.840 -0.256 0.000 0.807 146 L CB 0.779 42.672 42.059 -0.276 0.000 1.177 146 L HN -0.073 nan 8.230 nan 0.000 0.429 147 P HA 0.215 nan 4.420 nan 0.000 0.282 147 P C 0.108 176.801 177.300 -1.011 0.000 1.249 147 P CA -0.504 62.180 63.100 -0.693 0.000 0.806 147 P CB 1.838 33.108 31.700 -0.716 0.000 0.984 148 L N 0.013 120.791 121.223 -0.742 0.000 2.590 148 L HA 0.216 4.556 4.340 -0.001 0.000 0.227 148 L C 1.188 177.641 176.870 -0.695 0.000 1.099 148 L CA 0.640 55.050 54.840 -0.716 0.000 0.872 148 L CB 0.295 42.156 42.059 -0.330 0.000 1.088 148 L HN 0.513 nan 8.230 nan 0.000 0.479 149 T N -0.668 113.514 114.554 -0.620 0.000 2.786 149 T HA 0.404 4.754 4.350 -0.001 0.000 0.316 149 T C -1.837 172.679 174.700 -0.308 0.000 1.503 149 T CA -0.489 61.396 62.100 -0.359 0.000 1.019 149 T CB 1.978 70.714 68.868 -0.219 0.000 1.415 149 T HN 0.066 nan 8.240 nan 0.000 0.496 150 E N 0.690 120.774 120.200 -0.193 0.000 2.343 150 E HA 0.495 4.844 4.350 -0.001 0.000 0.278 150 E C -0.780 175.732 176.600 -0.148 0.000 0.910 150 E CA -0.958 55.344 56.400 -0.164 0.000 0.757 150 E CB 1.686 31.308 29.700 -0.129 0.000 1.218 150 E HN 0.938 nan 8.360 nan 0.000 0.435 151 C N 0.640 119.854 119.300 -0.143 0.000 2.325 151 C HA 0.443 4.902 4.460 -0.001 0.000 0.370 151 C C 1.792 176.668 174.990 -0.190 0.000 1.217 151 C CA -0.809 58.120 59.018 -0.148 0.000 2.254 151 C CB 0.057 27.703 27.740 -0.155 0.000 2.282 151 C HN 0.937 nan 8.230 nan 0.000 0.564 152 L N 1.402 122.510 121.223 -0.192 0.000 2.079 152 L HA -0.126 4.213 4.340 -0.001 0.000 0.210 152 L C 2.685 179.401 176.870 -0.257 0.000 1.081 152 L CA 1.951 56.705 54.840 -0.142 0.000 0.752 152 L CB -0.936 41.141 42.059 0.029 0.000 0.896 152 L HN 0.943 nan 8.230 nan 0.000 0.433 153 K N -0.643 119.342 120.400 -0.692 0.000 2.063 153 K HA -0.222 4.097 4.320 -0.001 0.000 0.208 153 K C 1.679 178.148 176.600 -0.218 0.000 1.048 153 K CA 1.887 57.781 56.287 -0.655 0.000 0.928 153 K CB -0.221 31.728 32.500 -0.918 0.000 0.713 153 K HN 0.431 nan 8.250 nan 0.000 0.442 154 D N 0.026 120.314 120.400 -0.186 0.000 2.123 154 D HA -0.129 4.510 4.640 -0.001 0.000 0.196 154 D C 1.814 178.081 176.300 -0.054 0.000 0.992 154 D CA 1.547 55.488 54.000 -0.097 0.000 0.833 154 D CB -0.362 40.378 40.800 -0.099 0.000 0.954 154 D HN 0.314 nan 8.370 nan 0.000 0.455 155 T N 1.035 115.556 114.554 -0.056 0.000 2.708 155 T HA -0.098 4.252 4.350 -0.001 0.000 0.266 155 T C 2.351 177.038 174.700 -0.022 0.000 1.037 155 T CA 0.712 62.804 62.100 -0.014 0.000 1.146 155 T CB -0.398 68.466 68.868 -0.006 0.000 0.865 155 T HN -0.024 nan 8.240 nan 0.000 0.435 156 V N 1.860 121.768 119.914 -0.010 0.000 2.287 156 V HA -0.225 3.895 4.120 -0.001 0.000 0.248 156 V C 2.910 178.978 176.094 -0.044 0.000 1.053 156 V CA 1.848 64.145 62.300 -0.005 0.000 1.027 156 V CB -1.229 30.649 31.823 0.090 0.000 0.646 156 V HN 0.558 nan 8.190 nan 0.000 0.447 157 A N 0.103 122.907 122.820 -0.027 0.000 1.972 157 A HA -0.239 4.081 4.320 -0.001 0.000 0.219 157 A C 2.398 179.950 177.584 -0.053 0.000 1.169 157 A CA 1.980 53.999 52.037 -0.031 0.000 0.635 157 A CB -0.514 18.478 19.000 -0.013 0.000 0.810 157 A HN 0.586 nan 8.150 nan 0.000 0.446 158 R N -0.751 119.716 120.500 -0.056 0.000 2.161 158 R HA 0.059 4.398 4.340 -0.001 0.000 0.213 158 R C 1.414 177.589 176.300 -0.208 0.000 1.055 158 R CA 1.262 57.300 56.100 -0.103 0.000 0.996 158 R CB -0.182 30.107 30.300 -0.018 0.000 0.901 158 R HN 0.231 nan 8.270 nan 0.000 0.456 159 V N 1.155 120.975 119.914 -0.157 0.000 2.446 159 V HA -0.121 3.998 4.120 -0.001 0.000 0.244 159 V C 2.285 178.277 176.094 -0.170 0.000 1.039 159 V CA 1.172 63.369 62.300 -0.172 0.000 1.045 159 V CB -0.256 31.487 31.823 -0.133 0.000 0.681 159 V HN 0.299 nan 8.190 nan 0.000 0.459 160 L N -0.029 121.086 121.223 -0.180 0.000 2.127 160 L HA -0.130 4.209 4.340 -0.001 0.000 0.211 160 L C -0.150 176.648 176.870 -0.120 0.000 1.089 160 L CA 1.668 56.386 54.840 -0.204 0.000 0.757 160 L CB -1.452 40.443 42.059 -0.273 0.000 0.899 160 L HN 0.363 nan 8.230 nan 0.000 0.434 161 P HA -0.194 nan 4.420 nan 0.000 0.218 161 P C 1.635 178.866 177.300 -0.115 0.000 1.148 161 P CA 1.125 64.166 63.100 -0.100 0.000 0.822 161 P CB 0.118 31.761 31.700 -0.095 0.000 0.784 162 L N -1.480 119.658 121.223 -0.142 0.000 2.131 162 L HA -0.010 4.329 4.340 -0.001 0.000 0.206 162 L C 2.168 178.924 176.870 -0.189 0.000 1.087 162 L CA 1.447 56.189 54.840 -0.163 0.000 0.767 162 L CB -1.260 40.688 42.059 -0.186 0.000 0.917 162 L HN 0.058 nan 8.230 nan 0.000 0.441 163 W N 0.426 121.549 121.300 -0.296 0.000 2.354 163 W HA -0.242 4.417 4.660 -0.001 0.000 0.315 163 W C 1.980 178.362 176.519 -0.227 0.000 1.206 163 W CA 1.728 58.893 57.345 -0.299 0.000 1.290 163 W CB -0.306 28.957 29.460 -0.329 0.000 1.152 163 W HN 0.286 nan 8.180 nan 0.000 0.489 164 N N 0.579 119.166 118.700 -0.189 0.000 2.216 164 N HA -0.140 4.600 4.740 -0.001 0.000 0.183 164 N C 1.516 176.897 175.510 -0.215 0.000 1.017 164 N CA 1.778 54.714 53.050 -0.189 0.000 0.861 164 N CB -0.580 37.882 38.487 -0.042 0.000 0.986 164 N HN 0.418 nan 8.380 nan 0.000 0.428 165 E N -0.718 119.378 120.200 -0.174 0.000 2.318 165 E HA 0.072 4.422 4.350 -0.001 0.000 0.193 165 E C 1.251 177.761 176.600 -0.149 0.000 0.998 165 E CA 0.401 56.723 56.400 -0.130 0.000 0.859 165 E CB 0.375 30.027 29.700 -0.080 0.000 0.812 165 E HN 0.106 nan 8.360 nan 0.000 0.492 166 S N -0.778 114.789 115.700 -0.223 0.000 3.472 166 S HA 0.143 4.613 4.470 -0.001 0.000 0.247 166 S C 1.622 176.037 174.600 -0.308 0.000 1.084 166 S CA -0.309 57.788 58.200 -0.173 0.000 0.795 166 S CB -0.045 63.124 63.200 -0.051 0.000 0.892 166 S HN 0.057 nan 8.310 nan 0.000 0.513 167 I N 2.498 122.702 120.570 -0.610 0.000 2.193 167 I HA 0.031 4.200 4.170 -0.001 0.000 0.240 167 I C 2.841 178.441 176.117 -0.862 0.000 1.084 167 I CA 1.201 62.007 61.300 -0.824 0.000 1.365 167 I CB -0.548 36.890 38.000 -0.936 0.000 1.064 167 I HN 0.399 nan 8.210 nan 0.000 0.410 168 A N 1.567 123.621 122.820 -1.277 0.000 1.883 168 A HA -0.131 4.188 4.320 -0.001 0.000 0.217 168 A C 0.064 177.325 177.584 -0.539 0.000 1.186 168 A CA 1.901 53.289 52.037 -1.082 0.000 0.624 168 A CB -1.984 16.375 19.000 -1.070 0.000 0.822 168 A HN 0.270 nan 8.150 nan 0.000 0.444 169 P HA -0.075 nan 4.420 nan 0.000 0.218 169 P C 1.677 178.857 177.300 -0.200 0.000 1.149 169 P CA 1.704 64.660 63.100 -0.239 0.000 0.817 169 P CB -0.093 31.506 31.700 -0.170 0.000 0.785 170 A N -0.635 122.067 122.820 -0.196 0.000 1.902 170 A HA -0.160 4.160 4.320 -0.001 0.000 0.217 170 A C 2.287 179.777 177.584 -0.156 0.000 1.181 170 A CA 1.828 53.801 52.037 -0.107 0.000 0.623 170 A CB -1.657 17.350 19.000 0.011 0.000 0.818 170 A HN 0.038 nan 8.150 nan 0.000 0.443 171 V N -0.067 119.682 119.914 -0.276 0.000 2.323 171 V HA -0.217 3.902 4.120 -0.001 0.000 0.244 171 V C 2.336 178.096 176.094 -0.556 0.000 1.041 171 V CA 2.173 64.254 62.300 -0.365 0.000 1.025 171 V CB -0.656 30.921 31.823 -0.410 0.000 0.656 171 V HN 0.520 nan 8.190 nan 0.000 0.451 172 K N 0.467 120.581 120.400 -0.478 0.000 2.281 172 K HA -0.106 4.213 4.320 -0.001 0.000 0.203 172 K C 1.869 178.396 176.600 -0.122 0.000 1.046 172 K CA 1.339 57.434 56.287 -0.319 0.000 0.938 172 K CB -0.289 32.114 32.500 -0.161 0.000 0.737 172 K HN 0.489 nan 8.250 nan 0.000 0.458 173 A N 0.117 122.872 122.820 -0.108 0.000 2.251 173 A HA 0.210 4.529 4.320 -0.001 0.000 0.209 173 A C 1.302 178.894 177.584 0.014 0.000 1.187 173 A CA 0.717 52.737 52.037 -0.028 0.000 0.823 173 A CB -0.227 18.756 19.000 -0.028 0.000 0.846 173 A HN 0.391 nan 8.150 nan 0.000 0.486 174 G N -0.798 108.012 108.800 0.016 0.000 2.157 174 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.248 174 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.248 174 G C 0.182 175.125 174.900 0.072 0.000 0.979 174 G CA 0.445 45.604 45.100 0.098 0.000 0.650 174 G HN 0.526 nan 8.290 nan 0.000 0.529 175 K N 0.744 121.163 120.400 0.032 0.000 2.326 175 K HA 0.481 4.800 4.320 -0.001 0.000 0.275 175 K C 0.725 177.382 176.600 0.095 0.000 1.018 175 K CA 0.146 56.467 56.287 0.058 0.000 0.962 175 K CB 0.483 33.008 32.500 0.041 0.000 0.953 175 K HN 0.428 nan 8.250 nan 0.000 0.475 176 Q N 1.671 121.558 119.800 0.145 0.000 2.322 176 Q HA 0.305 4.644 4.340 -0.001 0.000 0.256 176 Q C -0.912 175.293 176.000 0.341 0.000 0.960 176 Q CA -0.615 55.327 55.803 0.231 0.000 0.934 176 Q CB 1.307 30.157 28.738 0.188 0.000 1.200 176 Q HN 0.214 nan 8.270 nan 0.000 0.435 177 V N 3.651 123.758 119.914 0.322 0.000 2.581 177 V HA 0.460 4.579 4.120 -0.001 0.000 0.303 177 V C -0.751 175.378 176.094 0.058 0.000 1.041 177 V CA -0.891 61.535 62.300 0.209 0.000 0.907 177 V CB 1.717 33.640 31.823 0.166 0.000 0.994 177 V HN 0.552 nan 8.190 nan 0.000 0.442 178 L N 5.770 126.828 121.223 -0.275 0.000 2.346 178 L HA 0.702 5.042 4.340 -0.001 0.000 0.276 178 L C -0.818 175.949 176.870 -0.172 0.000 1.006 178 L CA -0.020 54.504 54.840 -0.526 0.000 0.817 178 L CB 1.577 42.919 42.059 -1.195 0.000 1.272 178 L HN 0.556 nan 8.230 nan 0.000 0.421 179 I N 4.933 125.439 120.570 -0.106 0.000 2.410 179 I HA 0.586 4.756 4.170 -0.001 0.000 0.286 179 I C -0.388 175.684 176.117 -0.074 0.000 1.009 179 I CA -0.704 60.577 61.300 -0.033 0.000 1.111 179 I CB 1.861 39.854 38.000 -0.012 0.000 1.262 179 I HN 0.778 nan 8.210 nan 0.000 0.443 180 A N 5.418 128.190 122.820 -0.080 0.000 2.273 180 A HA 0.894 5.214 4.320 -0.001 0.000 0.320 180 A C -0.067 177.439 177.584 -0.130 0.000 1.358 180 A CA -0.067 51.911 52.037 -0.099 0.000 0.910 180 A CB 0.737 19.678 19.000 -0.098 0.000 1.159 180 A HN 0.880 nan 8.150 nan 0.000 0.526 181 A N 2.430 125.155 122.820 -0.159 0.000 4.106 181 A HA 0.890 5.209 4.320 -0.001 0.000 0.175 181 A C -0.448 176.907 177.584 -0.382 0.000 0.668 181 A CA -0.392 51.497 52.037 -0.245 0.000 0.819 181 A CB 0.737 19.708 19.000 -0.048 0.000 1.738 181 A HN 0.785 nan 8.150 nan 0.000 0.848 182 H N -1.692 117.424 119.070 0.078 0.000 2.894 182 H HA 0.432 4.988 4.556 -0.001 0.000 0.368 182 H C 1.265 176.631 175.328 0.064 0.000 1.181 182 H CA -0.128 56.007 56.048 0.143 0.000 1.146 182 H CB 1.600 31.450 29.762 0.146 0.000 1.839 182 H HN 0.806 nan 8.280 nan 0.000 0.557 183 G N 0.803 109.716 108.800 0.187 0.000 2.545 183 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.217 183 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.217 183 G C 1.117 176.081 174.900 0.107 0.000 1.218 183 G CA 0.827 45.992 45.100 0.108 0.000 0.787 183 G HN 0.515 nan 8.290 nan 0.000 0.571 184 N N 0.731 119.504 118.700 0.122 0.000 2.300 184 N HA -0.070 4.670 4.740 -0.001 0.000 0.179 184 N C 2.599 178.146 175.510 0.062 0.000 1.016 184 N CA 1.366 54.462 53.050 0.078 0.000 0.876 184 N CB -0.252 38.258 38.487 0.039 0.000 0.979 184 N HN 0.467 nan 8.380 nan 0.000 0.432 185 S N 0.838 116.590 115.700 0.088 0.000 2.402 185 S HA 0.036 4.505 4.470 -0.001 0.000 0.229 185 S C 2.076 176.687 174.600 0.018 0.000 1.021 185 S CA 0.411 58.645 58.200 0.056 0.000 0.974 185 S CB -0.533 62.718 63.200 0.085 0.000 0.800 185 S HN 0.177 nan 8.310 nan 0.000 0.484 186 L N 0.757 121.997 121.223 0.028 0.000 2.072 186 L HA 0.027 4.366 4.340 -0.001 0.000 0.205 186 L C 3.131 179.978 176.870 -0.039 0.000 1.079 186 L CA 1.154 55.980 54.840 -0.023 0.000 0.752 186 L CB -0.424 41.629 42.059 -0.010 0.000 0.906 186 L HN 0.261 nan 8.230 nan 0.000 0.436 187 R N -0.044 120.459 120.500 0.005 0.000 2.103 187 R HA -0.214 4.126 4.340 -0.001 0.000 0.242 187 R C 2.408 178.707 176.300 -0.001 0.000 1.142 187 R CA 1.577 57.684 56.100 0.011 0.000 0.960 187 R CB -0.536 29.794 30.300 0.050 0.000 0.858 187 R HN 0.386 nan 8.270 nan 0.000 0.439 188 A N 0.985 123.810 122.820 0.008 0.000 1.858 188 A HA -0.172 4.147 4.320 -0.001 0.000 0.216 188 A C 2.073 179.631 177.584 -0.043 0.000 1.190 188 A CA 1.194 53.239 52.037 0.014 0.000 0.617 188 A CB -0.562 18.443 19.000 0.008 0.000 0.827 188 A HN 0.250 nan 8.150 nan 0.000 0.443 189 L N -0.083 121.075 121.223 -0.107 0.000 2.017 189 L HA -0.081 4.258 4.340 -0.001 0.000 0.208 189 L C 2.232 178.955 176.870 -0.245 0.000 1.073 189 L CA 1.826 56.541 54.840 -0.207 0.000 0.745 189 L CB -0.475 41.432 42.059 -0.252 0.000 0.894 189 L HN 0.419 nan 8.230 nan 0.000 0.432 190 I N -0.500 119.925 120.570 -0.242 0.000 2.454 190 I HA -0.304 3.866 4.170 -0.001 0.000 0.254 190 I C 2.522 178.528 176.117 -0.186 0.000 1.156 190 I CA 1.309 62.433 61.300 -0.294 0.000 1.433 190 I CB -0.361 37.507 38.000 -0.219 0.000 1.082 190 I HN 0.341 nan 8.210 nan 0.000 0.432 191 K N 0.580 120.916 120.400 -0.106 0.000 2.025 191 K HA -0.261 4.058 4.320 -0.001 0.000 0.207 191 K C 2.374 178.923 176.600 -0.086 0.000 1.049 191 K CA 1.677 57.918 56.287 -0.077 0.000 0.933 191 K CB -0.303 32.178 32.500 -0.032 0.000 0.714 191 K HN 0.258 nan 8.250 nan 0.000 0.438 192 Y N 1.464 121.648 120.300 -0.192 0.000 2.089 192 Y HA -0.216 4.333 4.550 -0.001 0.000 0.282 192 Y C 1.823 177.566 175.900 -0.262 0.000 1.139 192 Y CA 1.700 59.672 58.100 -0.213 0.000 1.123 192 Y CB -0.335 37.977 38.460 -0.248 0.000 0.980 192 Y HN 0.003 nan 8.280 nan 0.000 0.493 193 L N 0.069 121.104 121.223 -0.314 0.000 2.013 193 L HA -0.265 4.074 4.340 -0.001 0.000 0.212 193 L C 1.714 178.410 176.870 -0.289 0.000 1.073 193 L CA 1.819 56.405 54.840 -0.423 0.000 0.753 193 L CB -0.533 41.213 42.059 -0.523 0.000 0.890 193 L HN 0.231 nan 8.230 nan 0.000 0.432 194 D N -0.326 119.958 120.400 -0.193 0.000 2.340 194 D HA 0.080 4.719 4.640 -0.001 0.000 0.220 194 D C 1.286 177.519 176.300 -0.111 0.000 1.039 194 D CA 0.840 54.792 54.000 -0.080 0.000 0.866 194 D CB 0.241 41.032 40.800 -0.015 0.000 0.913 194 D HN 0.372 nan 8.370 nan 0.000 0.523 195 G N 1.549 110.239 108.800 -0.183 0.000 2.273 195 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.280 195 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.280 195 G C 0.350 175.181 174.900 -0.114 0.000 1.047 195 G CA -0.022 44.982 45.100 -0.161 0.000 0.869 195 G HN 0.361 nan 8.290 nan 0.000 0.502 196 I N 1.296 121.799 120.570 -0.112 0.000 2.575 196 I HA 0.299 4.468 4.170 -0.001 0.000 0.285 196 I C 1.452 177.491 176.117 -0.131 0.000 1.085 196 I CA 0.136 61.379 61.300 -0.095 0.000 1.403 196 I CB 1.122 39.074 38.000 -0.079 0.000 1.409 196 I HN 0.428 nan 8.210 nan 0.000 0.557 197 S N 3.071 118.701 115.700 -0.117 0.000 2.614 197 S HA 0.118 4.587 4.470 -0.001 0.000 0.265 197 S C 0.587 175.058 174.600 -0.215 0.000 1.303 197 S CA -0.715 57.400 58.200 -0.142 0.000 1.000 197 S CB 1.087 64.233 63.200 -0.091 0.000 0.935 197 S HN 0.576 nan 8.310 nan 0.000 0.551 198 D N 1.163 121.393 120.400 -0.283 0.000 2.263 198 D HA 0.007 4.646 4.640 -0.001 0.000 0.208 198 D C 1.981 178.192 176.300 -0.148 0.000 0.971 198 D CA 1.538 55.305 54.000 -0.389 0.000 0.867 198 D CB -0.656 39.943 40.800 -0.335 0.000 0.929 198 D HN 0.661 nan 8.370 nan 0.000 0.492 199 A N 0.843 123.611 122.820 -0.087 0.000 1.874 199 A HA -0.111 4.209 4.320 -0.001 0.000 0.214 199 A C 1.803 179.373 177.584 -0.024 0.000 1.189 199 A CA 1.107 53.125 52.037 -0.032 0.000 0.615 199 A CB -0.179 18.808 19.000 -0.021 0.000 0.830 199 A HN -0.043 nan 8.150 nan 0.000 0.443 200 D N -0.380 119.996 120.400 -0.039 0.000 2.219 200 D HA -0.078 4.561 4.640 -0.001 0.000 0.205 200 D C 1.607 177.900 176.300 -0.011 0.000 0.970 200 D CA 0.671 54.659 54.000 -0.020 0.000 0.851 200 D CB -0.203 40.582 40.800 -0.026 0.000 0.943 200 D HN 0.347 nan 8.370 nan 0.000 0.488 201 I N 0.495 121.046 120.570 -0.032 0.000 2.361 201 I HA -0.207 3.962 4.170 -0.001 0.000 0.251 201 I C 2.078 178.220 176.117 0.042 0.000 1.133 201 I CA 0.655 61.953 61.300 -0.004 0.000 1.413 201 I CB -0.005 37.979 38.000 -0.027 0.000 1.073 201 I HN -0.197 nan 8.210 nan 0.000 0.424 202 V N 0.650 120.593 119.914 0.049 0.000 2.453 202 V HA -0.271 3.849 4.120 -0.001 0.000 0.252 202 V C 2.272 178.407 176.094 0.068 0.000 1.068 202 V CA 1.993 64.337 62.300 0.072 0.000 1.070 202 V CB -1.498 30.365 31.823 0.066 0.000 0.664 202 V HN 0.625 nan 8.190 nan 0.000 0.461 203 G N -1.078 107.754 108.800 0.054 0.000 3.042 203 G HA2 0.129 4.089 3.960 -0.001 0.000 0.212 203 G HA3 0.129 4.089 3.960 -0.001 0.000 0.212 203 G C 0.356 175.294 174.900 0.063 0.000 1.166 203 G CA -0.215 44.919 45.100 0.056 0.000 0.767 203 G HN 0.389 nan 8.290 nan 0.000 0.546 204 L N 2.027 123.288 121.223 0.064 0.000 2.361 204 L HA 0.388 4.727 4.340 -0.001 0.000 0.278 204 L C -0.802 176.118 176.870 0.083 0.000 1.113 204 L CA -0.621 54.263 54.840 0.072 0.000 0.849 204 L CB 0.308 42.401 42.059 0.057 0.000 1.155 204 L HN -0.019 nan 8.230 nan 0.000 0.452 205 N N 6.157 124.913 118.700 0.093 0.000 2.258 205 N HA 0.481 5.220 4.740 -0.001 0.000 0.299 205 N C -1.219 174.355 175.510 0.107 0.000 1.047 205 N CA -0.439 52.664 53.050 0.089 0.000 0.814 205 N CB 2.311 40.842 38.487 0.073 0.000 1.413 205 N HN 0.479 nan 8.380 nan 0.000 0.478 206 I N 2.840 123.466 120.570 0.094 0.000 2.362 206 I HA 0.329 4.499 4.170 -0.001 0.000 0.289 206 I C -1.962 174.166 176.117 0.019 0.000 0.994 206 I CA -1.782 59.586 61.300 0.113 0.000 1.158 206 I CB 2.003 40.074 38.000 0.117 0.000 1.315 206 I HN 0.233 nan 8.210 nan 0.000 0.451 207 P HA 0.202 nan 4.420 nan 0.000 0.276 207 P C -1.027 176.209 177.300 -0.108 0.000 1.252 207 P CA -0.608 62.432 63.100 -0.099 0.000 0.802 207 P CB 0.594 32.189 31.700 -0.174 0.000 1.035 208 N N -0.379 118.253 118.700 -0.113 0.000 2.483 208 N HA 0.305 5.045 4.740 -0.001 0.000 0.264 208 N C 1.015 176.469 175.510 -0.094 0.000 1.197 208 N CA 0.884 53.852 53.050 -0.137 0.000 0.927 208 N CB -0.322 38.105 38.487 -0.099 0.000 1.065 208 N HN 0.749 nan 8.380 nan 0.000 0.461 209 G N 1.068 109.820 108.800 -0.080 0.000 2.356 209 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.296 209 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.296 209 G C -0.420 174.468 174.900 -0.020 0.000 1.022 209 G CA -0.054 45.026 45.100 -0.033 0.000 0.961 209 G HN 0.423 nan 8.290 nan 0.000 0.510 210 V N 1.143 121.048 119.914 -0.015 0.000 2.350 210 V HA 0.396 4.515 4.120 -0.001 0.000 0.285 210 V C -1.764 174.415 176.094 0.142 0.000 1.014 210 V CA -1.868 60.438 62.300 0.009 0.000 0.831 210 V CB 1.993 33.713 31.823 -0.171 0.000 1.000 210 V HN 0.167 nan 8.190 nan 0.000 0.433 211 P HA 0.133 nan 4.420 nan 0.000 0.264 211 P C -0.799 176.622 177.300 0.202 0.000 1.193 211 P CA -0.144 63.026 63.100 0.117 0.000 0.763 211 P CB 0.548 32.272 31.700 0.040 0.000 0.810 212 L N 5.762 127.064 121.223 0.131 0.000 2.316 212 L HA 0.340 4.680 4.340 -0.001 0.000 0.280 212 L C -1.024 175.836 176.870 -0.017 0.000 1.006 212 L CA -0.554 54.290 54.840 0.006 0.000 0.836 212 L CB 1.316 43.368 42.059 -0.011 0.000 1.221 212 L HN 0.026 nan 8.230 nan 0.000 0.418 213 V N 5.919 125.732 119.914 -0.168 0.000 2.432 213 V HA 0.318 4.438 4.120 -0.001 0.000 0.275 213 V C -0.571 175.310 176.094 -0.354 0.000 1.043 213 V CA -0.354 61.814 62.300 -0.220 0.000 0.925 213 V CB 0.827 32.455 31.823 -0.324 0.000 0.985 213 V HN 0.589 nan 8.190 nan 0.000 0.466 214 Y N 2.595 122.790 120.300 -0.174 0.000 2.352 214 Y HA 0.433 4.982 4.550 -0.001 0.000 0.339 214 Y C 0.535 176.421 175.900 -0.023 0.000 0.992 214 Y CA -0.455 57.579 58.100 -0.110 0.000 1.100 214 Y CB 1.744 40.167 38.460 -0.061 0.000 1.192 214 Y HN 0.611 nan 8.280 nan 0.000 0.458 215 E N 5.081 125.303 120.200 0.038 0.000 2.133 215 E HA 0.474 4.823 4.350 -0.001 0.000 0.274 215 E C -1.249 175.450 176.600 0.165 0.000 0.930 215 E CA -0.438 56.037 56.400 0.124 0.000 0.770 215 E CB 1.324 31.089 29.700 0.109 0.000 1.104 215 E HN 0.496 nan 8.360 nan 0.000 0.403 216 L N 2.412 123.768 121.223 0.221 0.000 2.319 216 L HA 0.457 4.797 4.340 -0.001 0.000 0.267 216 L C 0.103 177.090 176.870 0.196 0.000 1.011 216 L CA -1.134 53.852 54.840 0.245 0.000 0.818 216 L CB 1.273 43.536 42.059 0.340 0.000 1.316 216 L HN 0.560 nan 8.230 nan 0.000 0.432 217 D N -0.829 119.669 120.400 0.163 0.000 2.539 217 D HA 0.057 4.696 4.640 -0.001 0.000 0.280 217 D C 0.642 177.019 176.300 0.129 0.000 1.208 217 D CA -0.516 53.532 54.000 0.080 0.000 1.088 217 D CB 0.542 41.377 40.800 0.058 0.000 1.149 217 D HN 0.609 nan 8.370 nan 0.000 0.596 218 E N -1.141 119.099 120.200 0.066 0.000 2.267 218 E HA -0.109 4.240 4.350 -0.001 0.000 0.197 218 E C 0.869 177.587 176.600 0.198 0.000 0.998 218 E CA 0.799 57.274 56.400 0.125 0.000 0.830 218 E CB 0.049 29.782 29.700 0.055 0.000 0.751 218 E HN 0.326 nan 8.360 nan 0.000 0.491 219 S N -0.373 115.422 115.700 0.159 0.000 2.557 219 S HA 0.191 4.660 4.470 -0.001 0.000 0.223 219 S C 0.552 175.257 174.600 0.175 0.000 0.969 219 S CA -0.171 58.114 58.200 0.141 0.000 0.927 219 S CB 0.276 63.532 63.200 0.093 0.000 0.806 219 S HN 0.332 nan 8.310 nan 0.000 0.489 220 L N 1.057 122.421 121.223 0.235 0.000 4.179 220 L HA -0.179 4.160 4.340 -0.001 0.000 0.418 220 L C -0.379 176.608 176.870 0.195 0.000 1.168 220 L CA 0.108 55.111 54.840 0.271 0.000 0.972 220 L CB -2.591 39.671 42.059 0.337 0.000 2.005 220 L HN 0.212 nan 8.230 nan 0.000 0.935 221 T N 0.989 115.622 114.554 0.132 0.000 2.779 221 T HA 0.359 4.709 4.350 -0.001 0.000 0.296 221 T C -1.945 172.817 174.700 0.104 0.000 0.938 221 T CA -0.951 61.194 62.100 0.074 0.000 1.119 221 T CB 1.024 69.918 68.868 0.043 0.000 0.891 221 T HN -0.033 nan 8.240 nan 0.000 0.526 222 P HA 0.134 nan 4.420 nan 0.000 0.266 222 P C 0.324 177.683 177.300 0.100 0.000 1.193 222 P CA 0.179 63.375 63.100 0.160 0.000 0.770 222 P CB 0.594 32.429 31.700 0.224 0.000 0.836 223 I N 1.542 122.163 120.570 0.086 0.000 3.136 223 I HA 0.133 4.303 4.170 -0.001 0.000 0.262 223 I C 1.044 177.176 176.117 0.025 0.000 1.132 223 I CA 0.627 61.958 61.300 0.052 0.000 1.450 223 I CB 0.181 38.215 38.000 0.055 0.000 1.315 223 I HN 0.406 nan 8.210 nan 0.000 0.460 224 R N 0.339 120.840 120.500 0.001 0.000 2.733 224 R HA 0.470 4.809 4.340 -0.001 0.000 0.272 224 R C -1.228 174.938 176.300 -0.224 0.000 1.029 224 R CA -0.833 55.225 56.100 -0.069 0.000 0.888 224 R CB 1.169 31.474 30.300 0.007 0.000 1.251 224 R HN 0.051 nan 8.270 nan 0.000 0.464 225 H N -0.861 117.978 119.070 -0.386 0.000 3.016 225 H HA 0.593 5.149 4.556 -0.001 0.000 0.362 225 H C -1.499 173.588 175.328 -0.402 0.000 1.233 225 H CA -1.009 54.597 56.048 -0.736 0.000 1.124 225 H CB 2.181 31.138 29.762 -1.342 0.000 1.850 225 H HN 0.790 nan 8.280 nan 0.000 0.549 226 Y N -1.219 118.947 120.300 -0.223 0.000 2.465 226 Y HA 0.384 4.933 4.550 -0.001 0.000 0.323 226 Y C -1.874 173.933 175.900 -0.154 0.000 1.191 226 Y CA -1.524 56.463 58.100 -0.188 0.000 1.082 226 Y CB -0.080 38.317 38.460 -0.104 0.000 1.334 226 Y HN 0.458 nan 8.280 nan 0.000 0.449 227 Y N 2.685 123.092 120.300 0.177 0.000 2.578 227 Y HA 0.258 4.807 4.550 -0.001 0.000 0.339 227 Y C 0.575 176.582 175.900 0.177 0.000 1.231 227 Y CA -0.243 57.936 58.100 0.132 0.000 1.461 227 Y CB 0.449 38.962 38.460 0.088 0.000 1.323 227 Y HN 0.643 nan 8.280 nan 0.000 0.590 228 L N 2.223 123.621 121.223 0.292 0.000 2.334 228 L HA 0.459 4.798 4.340 -0.001 0.000 0.277 228 L C 0.925 177.874 176.870 0.131 0.000 1.075 228 L CA -0.203 54.747 54.840 0.182 0.000 0.804 228 L CB 0.670 42.773 42.059 0.074 0.000 1.174 228 L HN 0.956 nan 8.230 nan 0.000 0.438 229 G N 0.000 108.857 108.800 0.095 0.000 5.446 229 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 229 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 229 G CA 0.000 45.137 45.100 0.062 0.000 0.502 229 G HN 0.000 nan 8.290 nan 0.000 0.925