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 3nby_1_F DATA FIRST_RESID 9 DATA SEQUENCE VQFKLVLVGD GGTGKTTFVK RHLTGEFEKK YVATLGVEVH PLVFHTNRGP DATA SEQUENCE IKFNVWDTAG LEKFGGLRDG YYIQAQCAII MFDVTSRVTY KNVPNWHRDL DATA SEQUENCE VRVCENIPIV LCGNKVDIKD RKVKAKSIVF HRKKNLQYYD ISAKSNYNFE DATA SEQUENCE KPFLWLARKL IGDPNLEFVA M 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 9 V HA 0.000 nan 4.120 nan 0.000 0.244 9 V C 0.000 175.895 176.094 -0.331 0.000 1.182 9 V CA 0.000 62.180 62.300 -0.201 0.000 1.235 9 V CB 0.000 31.775 31.823 -0.080 0.000 1.184 10 Q N 0.532 119.971 119.800 -0.601 0.000 2.552 10 Q HA 0.914 5.255 4.340 0.000 0.000 0.289 10 Q C -1.845 173.498 176.000 -1.095 0.000 1.097 10 Q CA -0.872 54.586 55.803 -0.575 0.000 0.812 10 Q CB 3.155 31.738 28.738 -0.259 0.000 1.460 10 Q HN 0.248 nan 8.270 nan 0.000 0.452 11 F N -0.691 119.171 119.950 -0.146 0.000 2.662 11 F HA 0.429 4.956 4.527 0.000 0.000 0.312 11 F C -0.781 175.045 175.800 0.044 0.000 1.113 11 F CA -0.998 56.952 58.000 -0.084 0.000 0.951 11 F CB 2.158 41.058 39.000 -0.168 0.000 1.344 11 F HN 0.544 nan 8.300 nan 0.000 0.462 12 K N 2.505 123.067 120.400 0.270 0.000 2.292 12 K HA 0.594 4.914 4.320 0.000 0.000 0.270 12 K C -1.601 175.161 176.600 0.269 0.000 1.062 12 K CA -0.631 55.793 56.287 0.229 0.000 0.916 12 K CB 0.921 33.460 32.500 0.065 0.000 1.166 12 K HN 0.614 nan 8.250 nan 0.000 0.458 13 L N 5.867 127.324 121.223 0.389 0.000 2.283 13 L HA 0.306 4.646 4.340 0.000 0.000 0.281 13 L C -0.855 176.212 176.870 0.329 0.000 1.033 13 L CA -0.521 54.544 54.840 0.376 0.000 0.848 13 L CB 1.209 43.572 42.059 0.507 0.000 1.226 13 L HN 0.418 nan 8.230 nan 0.000 0.429 14 V N 6.842 126.903 119.914 0.246 0.000 2.585 14 V HA 0.160 4.280 4.120 0.000 0.000 0.296 14 V C -0.081 176.170 176.094 0.260 0.000 1.035 14 V CA -0.022 62.460 62.300 0.303 0.000 1.084 14 V CB 0.925 32.935 31.823 0.312 0.000 0.953 14 V HN 0.828 nan 8.190 nan 0.000 0.483 15 L N 8.302 129.698 121.223 0.288 0.000 2.301 15 L HA 0.562 4.903 4.340 0.000 0.000 0.278 15 L C -0.404 176.548 176.870 0.137 0.000 1.022 15 L CA -0.535 54.421 54.840 0.194 0.000 0.854 15 L CB 1.270 43.461 42.059 0.220 0.000 1.226 15 L HN 0.722 nan 8.230 nan 0.000 0.429 16 V N 1.297 121.229 119.914 0.030 0.000 2.881 16 V HA 1.084 5.204 4.120 0.000 0.000 0.316 16 V C 0.188 175.988 176.094 -0.490 0.000 1.070 16 V CA -0.213 61.992 62.300 -0.159 0.000 0.976 16 V CB 1.368 33.171 31.823 -0.034 0.000 1.038 16 V HN 0.767 nan 8.190 nan 0.000 0.446 17 G N 0.963 109.133 108.800 -1.049 0.000 2.338 17 G HA2 0.427 4.387 3.960 0.000 0.000 0.295 17 G HA3 0.427 4.387 3.960 0.000 0.000 0.295 17 G C -1.602 172.632 174.900 -1.109 0.000 1.461 17 G CA -0.743 43.692 45.100 -1.109 0.000 0.817 17 G HN 0.758 nan 8.290 nan 0.000 0.556 18 D N -0.630 119.510 120.400 -0.432 0.000 2.325 18 D HA 0.429 5.069 4.640 0.000 0.000 0.237 18 D C 1.292 177.653 176.300 0.102 0.000 1.328 18 D CA 1.260 55.346 54.000 0.143 0.000 0.918 18 D CB 0.282 41.221 40.800 0.232 0.000 1.156 18 D HN 0.635 nan 8.370 nan 0.000 0.485 19 G N -1.883 107.032 108.800 0.191 0.000 2.403 19 G HA2 0.432 4.392 3.960 0.000 0.000 0.259 19 G HA3 0.432 4.392 3.960 0.000 0.000 0.259 19 G C 0.899 175.816 174.900 0.028 0.000 1.244 19 G CA -0.047 45.169 45.100 0.192 0.000 0.849 19 G HN 0.764 nan 8.290 nan 0.000 0.532 20 G N 1.510 110.261 108.800 -0.083 0.000 2.162 20 G HA2 -0.330 3.630 3.960 0.000 0.000 0.260 20 G HA3 -0.330 3.630 3.960 0.000 0.000 0.260 20 G C 1.313 176.103 174.900 -0.184 0.000 0.976 20 G CA 1.057 45.864 45.100 -0.487 0.000 0.655 20 G HN 0.916 nan 8.290 nan 0.000 0.533 21 T N -0.166 114.355 114.554 -0.055 0.000 2.833 21 T HA 0.260 4.610 4.350 0.000 0.000 0.269 21 T C 2.220 176.903 174.700 -0.029 0.000 1.054 21 T CA 2.561 64.639 62.100 -0.038 0.000 1.135 21 T CB -0.347 68.494 68.868 -0.045 0.000 0.869 21 T HN 2.133 nan 8.240 nan 0.000 0.466 22 G N 0.773 109.581 108.800 0.013 0.000 2.145 22 G HA2 -0.194 3.766 3.960 0.000 0.000 0.176 22 G HA3 -0.194 3.766 3.960 0.000 0.000 0.176 22 G C 0.709 175.686 174.900 0.129 0.000 1.013 22 G CA 0.379 45.519 45.100 0.066 0.000 0.689 22 G HN 0.434 nan 8.290 nan 0.000 0.506 23 K N -0.399 120.071 120.400 0.117 0.000 1.984 23 K HA -0.019 4.301 4.320 0.000 0.000 0.209 23 K C 2.650 179.382 176.600 0.220 0.000 1.046 23 K CA 1.860 58.250 56.287 0.171 0.000 0.934 23 K CB -0.334 32.233 32.500 0.112 0.000 0.717 23 K HN 0.267 nan 8.250 nan 0.000 0.438 24 T N 0.905 115.557 114.554 0.163 0.000 2.622 24 T HA -0.154 4.196 4.350 0.000 0.000 0.266 24 T C 1.923 176.683 174.700 0.099 0.000 1.047 24 T CA 2.085 64.262 62.100 0.129 0.000 1.159 24 T CB -0.512 68.420 68.868 0.107 0.000 0.863 24 T HN 0.320 nan 8.240 nan 0.000 0.422 25 T N 2.276 116.882 114.554 0.087 0.000 2.653 25 T HA -0.157 4.193 4.350 0.000 0.000 0.268 25 T C 1.539 176.354 174.700 0.192 0.000 1.035 25 T CA 1.430 63.559 62.100 0.048 0.000 1.154 25 T CB -0.647 68.204 68.868 -0.028 0.000 0.862 25 T HN 0.319 nan 8.240 nan 0.000 0.441 26 F N 2.729 122.750 119.950 0.118 0.000 2.043 26 F HA -0.188 4.339 4.527 0.000 0.000 0.297 26 F C 2.533 178.463 175.800 0.216 0.000 1.121 26 F CA 1.472 59.586 58.000 0.190 0.000 1.199 26 F CB -1.172 37.926 39.000 0.164 0.000 0.968 26 F HN 0.061 nan 8.300 nan 0.000 0.478 27 V N 0.627 120.528 119.914 -0.021 0.000 2.407 27 V HA -0.265 3.855 4.120 0.000 0.000 0.248 27 V C 2.431 178.444 176.094 -0.135 0.000 1.055 27 V CA 2.458 64.664 62.300 -0.157 0.000 1.049 27 V CB -1.060 30.760 31.823 -0.005 0.000 0.662 27 V HN 0.562 nan 8.190 nan 0.000 0.455 28 K N -0.192 120.151 120.400 -0.096 0.000 1.991 28 K HA -0.265 4.055 4.320 0.000 0.000 0.212 28 K C 2.531 179.113 176.600 -0.030 0.000 1.049 28 K CA 1.852 58.071 56.287 -0.113 0.000 0.932 28 K CB -0.510 31.931 32.500 -0.097 0.000 0.717 28 K HN 0.311 nan 8.250 nan 0.000 0.441 29 R N 0.546 121.083 120.500 0.060 0.000 2.190 29 R HA -0.225 4.115 4.340 0.000 0.000 0.255 29 R C 2.118 178.517 176.300 0.164 0.000 1.143 29 R CA 2.313 58.505 56.100 0.154 0.000 0.965 29 R CB -1.097 29.403 30.300 0.332 0.000 0.889 29 R HN 0.606 nan 8.270 nan 0.000 0.448 30 H N -0.838 118.243 119.070 0.018 0.000 2.495 30 H HA -0.070 4.486 4.556 0.000 0.000 0.287 30 H C 1.159 176.354 175.328 -0.222 0.000 1.033 30 H CA 1.111 57.057 56.048 -0.169 0.000 1.307 30 H CB 0.216 29.659 29.762 -0.532 0.000 1.401 30 H HN 0.094 nan 8.280 nan 0.000 0.555 31 L N -1.593 119.580 121.223 -0.082 0.000 2.910 31 L HA 0.339 4.679 4.340 0.000 0.000 0.252 31 L C 0.940 177.753 176.870 -0.096 0.000 1.195 31 L CA 0.662 55.416 54.840 -0.143 0.000 1.003 31 L CB 0.401 42.337 42.059 -0.205 0.000 1.328 31 L HN 0.113 nan 8.230 nan 0.000 0.540 32 T N -4.317 110.209 114.554 -0.046 0.000 3.345 32 T HA 0.205 4.555 4.350 0.000 0.000 0.273 32 T C 1.268 175.967 174.700 -0.002 0.000 0.853 32 T CA 0.833 62.914 62.100 -0.031 0.000 0.812 32 T CB -0.785 68.058 68.868 -0.042 0.000 1.246 32 T HN 1.016 nan 8.240 nan 0.000 0.737 33 G N 2.350 111.166 108.800 0.027 0.000 2.203 33 G HA2 -0.260 3.700 3.960 0.000 0.000 0.263 33 G HA3 -0.260 3.700 3.960 0.000 0.000 0.263 33 G C -0.173 174.740 174.900 0.022 0.000 1.012 33 G CA 0.975 46.091 45.100 0.026 0.000 0.749 33 G HN 1.171 nan 8.290 nan 0.000 0.512 34 E N -1.214 119.005 120.200 0.031 0.000 2.254 34 E HA 0.749 5.100 4.350 0.000 0.000 0.261 34 E C -0.791 175.879 176.600 0.117 0.000 1.051 34 E CA -1.352 55.080 56.400 0.054 0.000 0.902 34 E CB 1.443 31.157 29.700 0.023 0.000 1.168 34 E HN 0.413 nan 8.360 nan 0.000 0.423 35 F N 1.083 121.020 119.950 -0.022 0.000 2.460 35 F HA 0.278 4.805 4.527 0.000 0.000 0.341 35 F C -0.651 175.153 175.800 0.006 0.000 1.130 35 F CA -0.924 57.071 58.000 -0.008 0.000 0.962 35 F CB 1.634 40.620 39.000 -0.024 0.000 1.171 35 F HN 0.359 nan 8.300 nan 0.000 0.436 36 E N 5.985 125.822 120.200 -0.606 0.000 2.070 36 E HA 0.099 4.449 4.350 0.000 0.000 0.282 36 E C 0.332 176.517 176.600 -0.691 0.000 1.104 36 E CA 0.033 56.153 56.400 -0.467 0.000 0.876 36 E CB 1.044 30.581 29.700 -0.271 0.000 1.055 36 E HN 0.731 nan 8.360 nan 0.000 0.401 37 K N 2.156 122.356 120.400 -0.333 0.000 2.525 37 K HA -0.014 4.306 4.320 0.000 0.000 0.192 37 K C 0.455 177.029 176.600 -0.043 0.000 1.029 37 K CA 0.409 56.629 56.287 -0.112 0.000 1.029 37 K CB 0.317 32.892 32.500 0.126 0.000 0.814 37 K HN 0.047 nan 8.250 nan 0.000 0.503 38 K N 0.282 120.643 120.400 -0.065 0.000 2.118 38 K HA 0.147 4.467 4.320 0.000 0.000 0.254 38 K C -1.321 175.347 176.600 0.112 0.000 0.961 38 K CA -0.702 55.597 56.287 0.021 0.000 0.876 38 K CB 0.748 33.246 32.500 -0.003 0.000 1.077 38 K HN -0.187 nan 8.250 nan 0.000 0.440 39 Y N 3.242 123.532 120.300 -0.016 0.000 2.434 39 Y HA 0.421 4.971 4.550 0.000 0.000 0.341 39 Y C -1.357 174.549 175.900 0.009 0.000 0.965 39 Y CA -1.096 57.005 58.100 0.002 0.000 1.205 39 Y CB 0.863 39.339 38.460 0.027 0.000 1.121 39 Y HN 0.191 nan 8.280 nan 0.000 0.507 40 V N 6.818 126.600 119.914 -0.221 0.000 2.380 40 V HA 0.782 4.902 4.120 0.000 0.000 0.286 40 V C -0.554 175.322 176.094 -0.364 0.000 1.015 40 V CA -0.573 61.519 62.300 -0.346 0.000 0.834 40 V CB 0.612 32.336 31.823 -0.167 0.000 1.009 40 V HN 0.968 nan 8.190 nan 0.000 0.428 41 A N 5.104 127.593 122.820 -0.552 0.000 2.454 41 A HA 0.534 4.854 4.320 0.000 0.000 0.260 41 A C 0.717 178.234 177.584 -0.110 0.000 1.106 41 A CA 0.218 52.095 52.037 -0.266 0.000 0.780 41 A CB -0.155 18.784 19.000 -0.102 0.000 1.044 41 A HN 0.934 nan 8.150 nan 0.000 0.498 42 T N 2.469 117.028 114.554 0.008 0.000 2.932 42 T HA 0.295 4.645 4.350 0.000 0.000 0.312 42 T C -0.002 174.698 174.700 -0.000 0.000 1.071 42 T CA 0.555 62.652 62.100 -0.006 0.000 1.128 42 T CB 0.115 69.012 68.868 0.048 0.000 0.984 42 T HN 0.407 nan 8.240 nan 0.000 0.549 43 L N 3.012 124.192 121.223 -0.071 0.000 2.295 43 L HA 0.538 4.878 4.340 0.000 0.000 0.281 43 L C 1.045 177.924 176.870 0.016 0.000 1.018 43 L CA 0.240 55.035 54.840 -0.076 0.000 0.841 43 L CB 0.613 42.544 42.059 -0.215 0.000 1.218 43 L HN 1.031 nan 8.230 nan 0.000 0.424 44 G N 2.262 111.144 108.800 0.137 0.000 2.527 44 G HA2 -0.232 3.728 3.960 0.000 0.000 0.268 44 G HA3 -0.232 3.728 3.960 0.000 0.000 0.268 44 G C -0.396 174.499 174.900 -0.008 0.000 1.175 44 G CA 0.021 45.212 45.100 0.152 0.000 0.962 44 G HN 0.696 nan 8.290 nan 0.000 0.560 45 V N -0.085 119.654 119.914 -0.292 0.000 3.234 45 V HA 0.899 5.019 4.120 0.000 0.000 0.317 45 V C -0.465 175.417 176.094 -0.354 0.000 1.147 45 V CA 0.173 62.218 62.300 -0.424 0.000 1.037 45 V CB 1.914 33.185 31.823 -0.920 0.000 1.148 45 V HN 0.996 nan 8.190 nan 0.000 0.455 46 E N 1.462 121.447 120.200 -0.360 0.000 2.640 46 E HA 0.255 4.605 4.350 0.000 0.000 0.360 46 E C -1.258 175.061 176.600 -0.469 0.000 1.014 46 E CA -0.351 55.816 56.400 -0.387 0.000 0.757 46 E CB 1.858 31.418 29.700 -0.234 0.000 1.565 46 E HN 0.814 nan 8.360 nan 0.000 0.381 47 V N 0.554 120.097 119.914 -0.619 0.000 2.439 47 V HA 0.345 4.466 4.120 0.000 0.000 0.271 47 V C -0.277 175.583 176.094 -0.390 0.000 1.040 47 V CA -0.006 61.984 62.300 -0.517 0.000 1.002 47 V CB 0.381 31.733 31.823 -0.785 0.000 1.000 47 V HN 0.551 nan 8.190 nan 0.000 0.477 48 H N 6.954 125.987 119.070 -0.063 0.000 2.511 48 H HA 0.500 5.056 4.556 0.000 0.000 0.328 48 H C -2.495 172.832 175.328 -0.001 0.000 1.044 48 H CA -1.715 54.308 56.048 -0.041 0.000 1.212 48 H CB 2.354 32.094 29.762 -0.036 0.000 1.428 48 H HN 0.600 nan 8.280 nan 0.000 0.483 49 P HA 0.190 nan 4.420 nan 0.000 0.272 49 P C -0.379 176.914 177.300 -0.011 0.000 1.223 49 P CA -0.188 62.946 63.100 0.057 0.000 0.784 49 P CB 1.633 33.341 31.700 0.013 0.000 0.923 50 L N 1.003 122.189 121.223 -0.062 0.000 2.465 50 L HA 0.591 4.931 4.340 0.000 0.000 0.257 50 L C -0.512 176.142 176.870 -0.360 0.000 0.988 50 L CA -1.223 53.443 54.840 -0.289 0.000 0.827 50 L CB 2.554 44.377 42.059 -0.393 0.000 1.397 50 L HN 0.195 nan 8.230 nan 0.000 0.410 51 V N -1.341 118.165 119.914 -0.679 0.000 2.808 51 V HA 0.658 4.778 4.120 0.000 0.000 0.308 51 V C -1.199 174.318 176.094 -0.963 0.000 1.099 51 V CA -0.735 61.211 62.300 -0.590 0.000 0.920 51 V CB 1.824 33.422 31.823 -0.375 0.000 1.014 51 V HN 0.503 nan 8.190 nan 0.000 0.425 52 F N 1.066 120.835 119.950 -0.302 0.000 2.577 52 F HA 0.795 5.322 4.527 0.000 0.000 0.318 52 F C -0.125 175.479 175.800 -0.328 0.000 1.065 52 F CA -0.672 57.111 58.000 -0.361 0.000 0.929 52 F CB 1.996 40.608 39.000 -0.647 0.000 1.237 52 F HN 0.603 nan 8.300 nan 0.000 0.468 53 H N -0.774 118.366 119.070 0.117 0.000 2.495 53 H HA 0.678 5.234 4.556 0.000 0.000 0.348 53 H C -0.138 175.331 175.328 0.236 0.000 1.113 53 H CA -0.754 55.381 56.048 0.145 0.000 1.195 53 H CB 1.856 31.660 29.762 0.070 0.000 1.521 53 H HN 0.711 nan 8.280 nan 0.000 0.509 54 T N -1.187 113.561 114.554 0.324 0.000 2.838 54 T HA 0.166 4.516 4.350 0.000 0.000 0.292 54 T C 1.203 176.013 174.700 0.184 0.000 1.113 54 T CA -0.965 61.316 62.100 0.301 0.000 1.008 54 T CB 1.617 70.655 68.868 0.283 0.000 1.259 54 T HN 0.501 nan 8.240 nan 0.000 0.520 55 N N 0.662 119.443 118.700 0.134 0.000 2.112 55 N HA -0.193 4.547 4.740 0.000 0.000 0.200 55 N C 0.520 176.077 175.510 0.078 0.000 1.011 55 N CA 1.555 54.656 53.050 0.084 0.000 0.891 55 N CB -0.340 38.176 38.487 0.048 0.000 1.060 55 N HN 0.587 nan 8.380 nan 0.000 0.478 56 R N 0.204 120.753 120.500 0.081 0.000 3.057 56 R HA 0.376 4.717 4.340 0.000 0.000 0.291 56 R C 0.539 176.888 176.300 0.081 0.000 1.394 56 R CA 0.233 56.374 56.100 0.069 0.000 1.630 56 R CB 0.398 30.728 30.300 0.050 0.000 1.268 56 R HN 0.362 nan 8.270 nan 0.000 0.621 57 G N 2.540 111.395 108.800 0.093 0.000 2.593 57 G HA2 -0.243 3.717 3.960 0.000 0.000 0.237 57 G HA3 -0.243 3.717 3.960 0.000 0.000 0.237 57 G C -2.782 172.183 174.900 0.107 0.000 1.312 57 G CA -0.917 44.239 45.100 0.094 0.000 0.896 57 G HN 0.332 nan 8.290 nan 0.000 0.574 58 P HA 0.741 nan 4.420 nan 0.000 0.285 58 P C -0.627 176.665 177.300 -0.014 0.000 1.280 58 P CA -0.680 62.384 63.100 -0.060 0.000 0.862 58 P CB 2.082 33.707 31.700 -0.124 0.000 1.153 59 I N -0.417 120.146 120.570 -0.012 0.000 2.802 59 I HA 0.489 4.659 4.170 0.000 0.000 0.298 59 I C -1.436 174.704 176.117 0.039 0.000 1.176 59 I CA -1.152 60.189 61.300 0.068 0.000 1.025 59 I CB 2.588 40.707 38.000 0.197 0.000 1.243 59 I HN 0.253 nan 8.210 nan 0.000 0.424 60 K N 6.448 126.843 120.400 -0.009 0.000 2.545 60 K HA 0.439 4.759 4.320 0.000 0.000 0.252 60 K C -2.025 174.589 176.600 0.022 0.000 0.948 60 K CA -0.485 55.801 56.287 -0.002 0.000 0.827 60 K CB 1.218 33.687 32.500 -0.051 0.000 1.128 60 K HN 0.457 nan 8.250 nan 0.000 0.429 61 F N 2.646 122.732 119.950 0.226 0.000 2.411 61 F HA 0.262 4.789 4.527 0.000 0.000 0.355 61 F C 0.756 176.690 175.800 0.224 0.000 1.117 61 F CA -0.625 57.561 58.000 0.309 0.000 1.139 61 F CB 0.948 40.219 39.000 0.453 0.000 1.120 61 F HN 0.398 nan 8.300 nan 0.000 0.493 62 N N 3.320 122.253 118.700 0.390 0.000 2.602 62 N HA 0.126 4.866 4.740 0.000 0.000 0.238 62 N C -0.790 174.997 175.510 0.463 0.000 1.084 62 N CA -0.062 53.197 53.050 0.348 0.000 0.952 62 N CB 1.015 39.690 38.487 0.312 0.000 1.244 62 N HN 0.232 nan 8.380 nan 0.000 0.512 63 V N 3.181 123.332 119.914 0.394 0.000 2.364 63 V HA 0.003 4.123 4.120 0.000 0.000 0.252 63 V C 0.162 176.477 176.094 0.369 0.000 1.075 63 V CA -0.609 61.931 62.300 0.400 0.000 1.033 63 V CB -0.629 31.392 31.823 0.329 0.000 1.116 63 V HN 0.520 nan 8.190 nan 0.000 0.488 64 W N 3.497 124.891 121.300 0.157 0.000 1.839 64 W HA 0.161 4.821 4.660 0.000 0.000 0.489 64 W C 0.862 177.434 176.519 0.088 0.000 0.789 64 W CA -0.814 56.584 57.345 0.088 0.000 1.900 64 W CB -0.371 29.154 29.460 0.107 0.000 1.773 64 W HN 0.558 nan 8.180 nan 0.000 0.251 65 D N 2.311 122.808 120.400 0.162 0.000 2.380 65 D HA -0.035 4.605 4.640 0.000 0.000 0.270 65 D C 0.390 176.757 176.300 0.112 0.000 1.363 65 D CA 0.445 54.541 54.000 0.160 0.000 1.057 65 D CB 0.324 41.227 40.800 0.172 0.000 1.096 65 D HN 0.022 nan 8.370 nan 0.000 0.524 66 T N 1.766 116.433 114.554 0.189 0.000 2.816 66 T HA 0.571 4.921 4.350 0.000 0.000 0.282 66 T C 0.451 175.272 174.700 0.201 0.000 0.993 66 T CA -0.549 61.678 62.100 0.212 0.000 0.994 66 T CB 1.279 70.386 68.868 0.399 0.000 1.025 66 T HN 0.455 nan 8.240 nan 0.000 0.529 67 A N 0.214 123.188 122.820 0.256 0.000 2.272 67 A HA 0.664 4.985 4.320 0.000 0.000 0.275 67 A C 1.399 179.176 177.584 0.322 0.000 1.096 67 A CA -0.089 52.111 52.037 0.273 0.000 0.822 67 A CB -0.003 19.181 19.000 0.305 0.000 1.088 67 A HN 0.941 nan 8.150 nan 0.000 0.495 68 G N -0.670 108.319 108.800 0.316 0.000 2.727 68 G HA2 0.315 4.276 3.960 0.000 0.000 0.203 68 G HA3 0.315 4.276 3.960 0.000 0.000 0.203 68 G C 0.414 175.560 174.900 0.411 0.000 1.117 68 G CA -0.244 45.079 45.100 0.372 0.000 0.817 68 G HN 0.524 nan 8.290 nan 0.000 0.553 69 L N 1.427 122.840 121.223 0.317 0.000 2.416 69 L HA 0.180 4.520 4.340 0.000 0.000 0.272 69 L C 1.803 178.730 176.870 0.096 0.000 1.161 69 L CA -0.440 54.508 54.840 0.181 0.000 0.845 69 L CB 1.346 43.467 42.059 0.103 0.000 1.119 69 L HN 0.161 nan 8.230 nan 0.000 0.464 70 E N 3.002 123.216 120.200 0.023 0.000 2.110 70 E HA -0.197 4.154 4.350 0.000 0.000 0.193 70 E C 1.624 178.179 176.600 -0.076 0.000 0.988 70 E CA 1.466 57.863 56.400 -0.006 0.000 0.804 70 E CB 0.255 29.938 29.700 -0.030 0.000 0.745 70 E HN 0.565 nan 8.360 nan 0.000 0.458 71 K N -0.521 119.723 120.400 -0.259 0.000 2.074 71 K HA -0.161 4.159 4.320 0.000 0.000 0.209 71 K C 1.502 177.938 176.600 -0.274 0.000 1.048 71 K CA 1.436 57.453 56.287 -0.450 0.000 0.926 71 K CB -0.204 31.694 32.500 -1.004 0.000 0.713 71 K HN 0.150 nan 8.250 nan 0.000 0.444 72 F N -0.212 119.792 119.950 0.090 0.000 2.647 72 F HA 0.263 4.790 4.527 0.000 0.000 0.300 72 F C 1.824 177.700 175.800 0.127 0.000 1.106 72 F CA -0.688 57.366 58.000 0.091 0.000 1.313 72 F CB -0.567 38.480 39.000 0.079 0.000 1.007 72 F HN 0.001 nan 8.300 nan 0.000 0.536 73 G N 1.035 109.980 108.800 0.243 0.000 2.681 73 G HA2 0.059 4.020 3.960 0.000 0.000 0.220 73 G HA3 0.059 4.020 3.960 0.000 0.000 0.220 73 G C 1.422 176.486 174.900 0.274 0.000 1.210 73 G CA 1.402 46.644 45.100 0.236 0.000 0.783 73 G HN 0.787 nan 8.290 nan 0.000 0.609 74 G N -1.131 107.789 108.800 0.200 0.000 2.709 74 G HA2 -0.015 3.945 3.960 0.000 0.000 0.228 74 G HA3 -0.015 3.945 3.960 0.000 0.000 0.228 74 G C 0.153 175.052 174.900 -0.002 0.000 1.215 74 G CA 0.109 45.337 45.100 0.213 0.000 1.003 74 G HN 0.909 nan 8.290 nan 0.000 0.584 75 L N 2.196 123.239 121.223 -0.300 0.000 2.872 75 L HA 0.449 4.789 4.340 0.000 0.000 0.245 75 L C 1.898 178.213 176.870 -0.926 0.000 1.211 75 L CA 0.462 54.963 54.840 -0.564 0.000 1.013 75 L CB -0.204 41.586 42.059 -0.448 0.000 1.326 75 L HN 0.628 nan 8.230 nan 0.000 0.525 76 R N 0.981 121.013 120.500 -0.780 0.000 2.562 76 R HA -0.345 3.995 4.340 0.000 0.000 0.226 76 R C 1.583 177.249 176.300 -1.058 0.000 0.907 76 R CA 2.601 58.324 56.100 -0.629 0.000 0.366 76 R CB -1.569 28.629 30.300 -0.170 0.000 0.654 76 R HN 0.510 nan 8.270 nan 0.000 0.255 77 D N -0.248 119.764 120.400 -0.647 0.000 2.220 77 D HA -0.205 4.435 4.640 0.000 0.000 0.198 77 D C 1.910 177.958 176.300 -0.419 0.000 1.001 77 D CA 1.733 55.473 54.000 -0.433 0.000 0.875 77 D CB -0.793 40.016 40.800 0.014 0.000 0.921 77 D HN 0.651 nan 8.370 nan 0.000 0.454 78 G N 0.259 108.798 108.800 -0.436 0.000 2.450 78 G HA2 -0.275 3.685 3.960 0.000 0.000 0.220 78 G HA3 -0.275 3.685 3.960 0.000 0.000 0.220 78 G C 1.214 176.003 174.900 -0.185 0.000 1.130 78 G CA 0.676 45.606 45.100 -0.285 0.000 0.760 78 G HN 0.270 nan 8.290 nan 0.000 0.557 79 Y N -0.172 120.019 120.300 -0.182 0.000 2.337 79 Y HA 0.077 4.627 4.550 0.000 0.000 0.293 79 Y C 2.445 178.135 175.900 -0.349 0.000 1.123 79 Y CA -0.291 57.737 58.100 -0.121 0.000 1.201 79 Y CB -0.952 37.639 38.460 0.219 0.000 1.011 79 Y HN 0.261 nan 8.280 nan 0.000 0.545 80 Y N 0.116 120.443 120.300 0.045 0.000 2.483 80 Y HA -0.045 4.506 4.550 0.000 0.000 0.291 80 Y C 1.168 176.998 175.900 -0.116 0.000 1.143 80 Y CA -0.780 57.298 58.100 -0.037 0.000 1.289 80 Y CB -1.362 37.116 38.460 0.030 0.000 0.983 80 Y HN -0.026 nan 8.280 nan 0.000 0.556 81 I N 1.961 122.518 120.570 -0.023 0.000 2.845 81 I HA -0.233 3.938 4.170 0.000 0.000 0.296 81 I C 0.903 176.970 176.117 -0.084 0.000 1.216 81 I CA 0.730 62.010 61.300 -0.034 0.000 1.438 81 I CB 0.199 38.178 38.000 -0.035 0.000 1.342 81 I HN 0.384 nan 8.210 nan 0.000 0.577 82 Q N 1.911 121.690 119.800 -0.036 0.000 2.494 82 Q HA -0.213 4.127 4.340 0.000 0.000 0.266 82 Q C -0.017 175.954 176.000 -0.047 0.000 1.053 82 Q CA 0.563 56.344 55.803 -0.036 0.000 1.029 82 Q CB -1.326 27.388 28.738 -0.040 0.000 1.423 82 Q HN 0.814 nan 8.270 nan 0.000 0.516 83 A N 0.601 123.403 122.820 -0.030 0.000 2.409 83 A HA 0.235 4.555 4.320 0.000 0.000 0.262 83 A C 0.915 178.532 177.584 0.056 0.000 1.113 83 A CA 0.070 52.108 52.037 0.002 0.000 0.790 83 A CB 0.387 19.409 19.000 0.036 0.000 1.046 83 A HN 0.376 nan 8.150 nan 0.000 0.496 84 Q N 0.313 120.173 119.800 0.100 0.000 2.247 84 Q HA 0.297 4.637 4.340 0.000 0.000 0.211 84 Q C -0.080 175.999 176.000 0.133 0.000 0.861 84 Q CA 0.433 56.316 55.803 0.133 0.000 0.949 84 Q CB 0.375 29.243 28.738 0.216 0.000 1.115 84 Q HN 1.062 nan 8.270 nan 0.000 0.507 85 C N -3.551 115.839 119.300 0.151 0.000 2.873 85 C HA 0.828 5.288 4.460 0.000 0.000 0.316 85 C C -1.544 173.550 174.990 0.174 0.000 1.294 85 C CA -0.565 58.555 59.018 0.171 0.000 1.222 85 C CB 0.670 28.533 27.740 0.206 0.000 1.309 85 C HN 0.267 nan 8.230 nan 0.000 0.460 86 A N 0.445 123.358 122.820 0.155 0.000 2.493 86 A HA 0.949 5.269 4.320 0.000 0.000 0.300 86 A C -1.617 176.001 177.584 0.056 0.000 1.152 86 A CA -0.340 51.764 52.037 0.111 0.000 0.643 86 A CB 0.843 19.893 19.000 0.083 0.000 1.316 86 A HN 1.884 nan 8.150 nan 0.000 0.469 87 I N 1.657 122.244 120.570 0.028 0.000 2.606 87 I HA 0.186 4.356 4.170 0.000 0.000 0.275 87 I C -1.017 175.078 176.117 -0.037 0.000 1.220 87 I CA -0.377 60.904 61.300 -0.032 0.000 1.098 87 I CB 1.277 39.230 38.000 -0.078 0.000 1.321 87 I HN 0.452 nan 8.210 nan 0.000 0.468 88 I N 4.578 125.132 120.570 -0.027 0.000 2.588 88 I HA 0.318 4.488 4.170 0.000 0.000 0.283 88 I C 0.082 176.153 176.117 -0.076 0.000 1.119 88 I CA 0.319 61.576 61.300 -0.071 0.000 1.419 88 I CB 0.769 38.762 38.000 -0.012 0.000 1.394 88 I HN 0.664 nan 8.210 nan 0.000 0.562 89 M N 6.788 126.306 119.600 -0.137 0.000 2.591 89 M HA 0.659 5.139 4.480 0.000 0.000 0.306 89 M C -1.477 174.826 176.300 0.005 0.000 1.190 89 M CA -0.574 54.663 55.300 -0.106 0.000 0.889 89 M CB 2.803 35.301 32.600 -0.169 0.000 1.728 89 M HN 0.574 nan 8.290 nan 0.000 0.458 90 F N -0.118 119.770 119.950 -0.102 0.000 2.715 90 F HA 0.731 5.258 4.527 0.000 0.000 0.318 90 F C -1.589 174.206 175.800 -0.008 0.000 1.141 90 F CA -1.109 56.869 58.000 -0.037 0.000 0.950 90 F CB 0.984 40.007 39.000 0.039 0.000 1.374 90 F HN 0.460 nan 8.300 nan 0.000 0.477 91 D N 1.038 121.498 120.400 0.101 0.000 2.440 91 D HA 0.281 4.921 4.640 0.000 0.000 0.239 91 D C 0.599 176.958 176.300 0.099 0.000 1.084 91 D CA -0.660 53.342 54.000 0.004 0.000 0.843 91 D CB 1.924 42.736 40.800 0.019 0.000 1.097 91 D HN 0.766 nan 8.370 nan 0.000 0.531 92 V N 2.298 122.219 119.914 0.012 0.000 3.383 92 V HA -0.031 4.089 4.120 0.000 0.000 0.272 92 V C 1.222 177.356 176.094 0.067 0.000 1.181 92 V CA 1.971 64.326 62.300 0.090 0.000 1.171 92 V CB -1.341 30.499 31.823 0.029 0.000 0.800 92 V HN 0.702 nan 8.190 nan 0.000 0.515 93 T N -3.730 110.853 114.554 0.049 0.000 3.040 93 T HA 0.253 4.604 4.350 0.000 0.000 0.250 93 T C 0.833 175.560 174.700 0.045 0.000 1.058 93 T CA 0.612 62.732 62.100 0.033 0.000 0.988 93 T CB 0.114 68.990 68.868 0.013 0.000 0.993 93 T HN 0.510 nan 8.240 nan 0.000 0.519 94 S N 0.402 116.146 115.700 0.075 0.000 2.774 94 S HA 0.451 4.921 4.470 0.000 0.000 0.297 94 S C 0.897 175.562 174.600 0.108 0.000 1.143 94 S CA -0.855 57.390 58.200 0.076 0.000 1.090 94 S CB 1.058 64.297 63.200 0.065 0.000 1.019 94 S HN 0.345 nan 8.310 nan 0.000 0.482 95 R N 2.574 123.123 120.500 0.081 0.000 2.117 95 R HA -0.115 4.225 4.340 0.000 0.000 0.243 95 R C 1.791 178.159 176.300 0.113 0.000 1.143 95 R CA 2.148 58.298 56.100 0.084 0.000 0.968 95 R CB -0.557 29.770 30.300 0.044 0.000 0.863 95 R HN 0.672 nan 8.270 nan 0.000 0.444 96 V N 0.016 119.986 119.914 0.094 0.000 2.370 96 V HA -0.303 3.817 4.120 0.000 0.000 0.252 96 V C 2.429 178.593 176.094 0.116 0.000 1.068 96 V CA 2.358 64.713 62.300 0.091 0.000 1.061 96 V CB -1.178 30.691 31.823 0.077 0.000 0.656 96 V HN 0.560 nan 8.190 nan 0.000 0.455 97 T N -2.154 112.490 114.554 0.151 0.000 3.072 97 T HA -0.178 4.172 4.350 0.000 0.000 0.266 97 T C 1.650 176.444 174.700 0.156 0.000 1.127 97 T CA 1.195 63.405 62.100 0.183 0.000 1.107 97 T CB -0.416 68.579 68.868 0.212 0.000 0.910 97 T HN 0.627 nan 8.240 nan 0.000 0.513 98 Y N 1.089 121.351 120.300 -0.063 0.000 2.397 98 Y HA 0.312 4.862 4.550 0.000 0.000 0.292 98 Y C 2.080 177.846 175.900 -0.224 0.000 1.115 98 Y CA 0.469 58.348 58.100 -0.368 0.000 1.208 98 Y CB 0.116 38.280 38.460 -0.494 0.000 1.046 98 Y HN -0.034 nan 8.280 nan 0.000 0.552 99 K N 0.744 121.150 120.400 0.010 0.000 2.209 99 K HA -0.103 4.217 4.320 0.000 0.000 0.204 99 K C 1.105 177.652 176.600 -0.090 0.000 1.048 99 K CA 0.981 57.249 56.287 -0.031 0.000 0.940 99 K CB -0.390 32.136 32.500 0.044 0.000 0.729 99 K HN 0.487 nan 8.250 nan 0.000 0.451 100 N N 0.506 119.185 118.700 -0.035 0.000 2.422 100 N HA -0.043 4.697 4.740 0.000 0.000 0.181 100 N C 1.683 177.218 175.510 0.042 0.000 1.080 100 N CA 0.173 53.227 53.050 0.006 0.000 0.893 100 N CB 0.254 38.824 38.487 0.138 0.000 0.973 100 N HN -0.131 nan 8.380 nan 0.000 0.456 101 V N 2.688 122.536 119.914 -0.109 0.000 2.233 101 V HA -0.245 3.875 4.120 0.000 0.000 0.252 101 V C -0.567 175.343 176.094 -0.306 0.000 1.063 101 V CA 2.126 64.274 62.300 -0.253 0.000 1.032 101 V CB -1.699 29.599 31.823 -0.874 0.000 0.645 101 V HN 0.191 nan 8.190 nan 0.000 0.446 102 P HA -0.170 nan 4.420 nan 0.000 0.217 102 P C 1.342 178.661 177.300 0.032 0.000 1.151 102 P CA 1.772 64.781 63.100 -0.152 0.000 0.849 102 P CB -0.260 31.447 31.700 0.012 0.000 0.787 103 N N -1.848 116.804 118.700 -0.080 0.000 2.106 103 N HA -0.152 4.588 4.740 0.000 0.000 0.188 103 N C 1.798 177.210 175.510 -0.164 0.000 1.029 103 N CA 1.235 54.187 53.050 -0.163 0.000 0.848 103 N CB -0.671 37.613 38.487 -0.337 0.000 1.007 103 N HN 0.288 nan 8.380 nan 0.000 0.423 104 W N 1.280 122.561 121.300 -0.031 0.000 2.317 104 W HA -0.201 4.459 4.660 0.000 0.000 0.318 104 W C 2.612 179.105 176.519 -0.043 0.000 1.227 104 W CA 1.444 58.771 57.345 -0.030 0.000 1.269 104 W CB -0.985 28.453 29.460 -0.036 0.000 1.155 104 W HN 0.322 nan 8.180 nan 0.000 0.484 105 H N 0.533 119.689 119.070 0.144 0.000 2.265 105 H HA -0.235 4.321 4.556 0.000 0.000 0.293 105 H C 2.391 177.761 175.328 0.070 0.000 1.089 105 H CA 2.827 58.943 56.048 0.113 0.000 1.244 105 H CB -0.500 29.397 29.762 0.225 0.000 1.355 105 H HN -0.022 nan 8.280 nan 0.000 0.485 106 R N 0.195 120.707 120.500 0.020 0.000 2.223 106 R HA -0.245 4.095 4.340 0.000 0.000 0.229 106 R C 1.840 178.070 176.300 -0.116 0.000 1.105 106 R CA 2.589 58.652 56.100 -0.060 0.000 0.880 106 R CB -0.663 29.637 30.300 0.000 0.000 0.853 106 R HN 0.486 nan 8.270 nan 0.000 0.429 107 D N 0.554 120.915 120.400 -0.066 0.000 2.149 107 D HA -0.213 4.427 4.640 0.000 0.000 0.194 107 D C 1.919 178.163 176.300 -0.093 0.000 1.001 107 D CA 1.023 55.014 54.000 -0.016 0.000 0.849 107 D CB -0.387 40.462 40.800 0.083 0.000 0.939 107 D HN 0.188 nan 8.370 nan 0.000 0.449 108 L N 1.040 122.104 121.223 -0.264 0.000 1.956 108 L HA -0.153 4.187 4.340 0.000 0.000 0.216 108 L C 2.623 179.378 176.870 -0.191 0.000 1.073 108 L CA 1.693 56.315 54.840 -0.363 0.000 0.762 108 L CB -1.220 40.666 42.059 -0.289 0.000 0.889 108 L HN 0.101 nan 8.230 nan 0.000 0.433 109 V N -2.421 117.355 119.914 -0.230 0.000 3.141 109 V HA -0.085 4.035 4.120 0.000 0.000 0.265 109 V C 2.213 178.255 176.094 -0.087 0.000 1.126 109 V CA 0.743 62.947 62.300 -0.159 0.000 1.141 109 V CB -0.779 30.905 31.823 -0.231 0.000 0.743 109 V HN 0.404 nan 8.190 nan 0.000 0.492 110 R N -0.179 120.277 120.500 -0.074 0.000 2.323 110 R HA 0.207 4.547 4.340 0.000 0.000 0.198 110 R C 1.355 177.664 176.300 0.015 0.000 0.988 110 R CA 0.914 57.001 56.100 -0.022 0.000 1.041 110 R CB 0.284 30.576 30.300 -0.013 0.000 0.926 110 R HN 0.598 nan 8.270 nan 0.000 0.476 111 V N -1.254 118.674 119.914 0.023 0.000 3.371 111 V HA 0.022 4.142 4.120 0.000 0.000 0.246 111 V C 0.436 176.550 176.094 0.032 0.000 1.303 111 V CA 0.277 62.611 62.300 0.056 0.000 1.156 111 V CB 1.103 33.013 31.823 0.145 0.000 0.929 111 V HN 0.237 nan 8.190 nan 0.000 0.459 112 C N 1.654 120.960 119.300 0.010 0.000 2.647 112 C HA 0.500 4.960 4.460 0.000 0.000 0.273 112 C C 1.532 176.526 174.990 0.007 0.000 1.088 112 C CA -0.987 58.039 59.018 0.013 0.000 1.529 112 C CB -0.137 27.614 27.740 0.019 0.000 1.810 112 C HN 0.387 nan 8.230 nan 0.000 0.422 113 E N 1.444 121.651 120.200 0.011 0.000 2.085 113 E HA -0.181 4.169 4.350 0.000 0.000 0.194 113 E C 0.569 177.185 176.600 0.026 0.000 0.994 113 E CA 1.164 57.571 56.400 0.012 0.000 0.801 113 E CB 0.057 29.765 29.700 0.013 0.000 0.743 113 E HN 0.835 nan 8.360 nan 0.000 0.453 114 N N 0.394 119.113 118.700 0.033 0.000 2.617 114 N HA 0.270 5.010 4.740 0.000 0.000 0.263 114 N C -1.137 174.405 175.510 0.052 0.000 1.074 114 N CA -0.161 52.916 53.050 0.046 0.000 0.841 114 N CB 0.749 39.259 38.487 0.039 0.000 1.221 114 N HN -0.005 nan 8.380 nan 0.000 0.529 115 I N 0.176 120.788 120.570 0.069 0.000 2.512 115 I HA 0.570 4.740 4.170 0.000 0.000 0.287 115 I C -2.817 173.372 176.117 0.120 0.000 1.069 115 I CA -2.339 59.009 61.300 0.079 0.000 1.056 115 I CB 2.065 40.110 38.000 0.076 0.000 1.229 115 I HN 0.138 nan 8.210 nan 0.000 0.429 116 P HA 0.142 nan 4.420 nan 0.000 0.259 116 P C -0.667 176.822 177.300 0.314 0.000 1.163 116 P CA 0.471 63.702 63.100 0.219 0.000 0.760 116 P CB 0.455 32.186 31.700 0.051 0.000 0.762 117 I N 1.895 122.701 120.570 0.392 0.000 2.969 117 I HA 0.633 4.803 4.170 0.000 0.000 0.307 117 I C -1.604 174.567 176.117 0.091 0.000 1.149 117 I CA -1.166 60.278 61.300 0.240 0.000 1.008 117 I CB 2.421 40.526 38.000 0.176 0.000 1.232 117 I HN -0.052 nan 8.210 nan 0.000 0.435 118 V N 5.585 125.497 119.914 -0.004 0.000 2.760 118 V HA 0.454 4.574 4.120 0.000 0.000 0.309 118 V C -0.915 175.113 176.094 -0.111 0.000 1.077 118 V CA -0.614 61.586 62.300 -0.167 0.000 0.910 118 V CB 1.975 33.693 31.823 -0.176 0.000 1.008 118 V HN 0.609 nan 8.190 nan 0.000 0.424 119 L N 4.938 126.085 121.223 -0.127 0.000 2.307 119 L HA 0.776 5.117 4.340 0.000 0.000 0.284 119 L C -0.795 175.947 176.870 -0.215 0.000 1.023 119 L CA 0.326 55.150 54.840 -0.027 0.000 0.810 119 L CB 1.263 43.421 42.059 0.164 0.000 1.231 119 L HN 0.767 nan 8.230 nan 0.000 0.423 120 C N 4.292 123.461 119.300 -0.219 0.000 2.344 120 C HA 0.687 5.147 4.460 0.000 0.000 0.326 120 C C 0.727 175.258 174.990 -0.765 0.000 1.201 120 C CA -1.007 57.701 59.018 -0.517 0.000 1.410 120 C CB 0.585 28.034 27.740 -0.485 0.000 2.070 120 C HN 1.033 nan 8.230 nan 0.000 0.445 121 G N 3.015 111.293 108.800 -0.871 0.000 2.354 121 G HA2 0.392 4.352 3.960 0.000 0.000 0.266 121 G HA3 0.392 4.352 3.960 0.000 0.000 0.266 121 G C -0.439 174.135 174.900 -0.543 0.000 1.242 121 G CA 0.251 44.760 45.100 -0.985 0.000 0.923 121 G HN 0.741 nan 8.290 nan 0.000 0.476 122 N N 0.568 118.972 118.700 -0.493 0.000 2.457 122 N HA 0.448 5.188 4.740 0.000 0.000 0.290 122 N C 0.284 175.706 175.510 -0.147 0.000 1.232 122 N CA -0.839 52.052 53.050 -0.265 0.000 0.852 122 N CB 1.238 39.577 38.487 -0.248 0.000 1.313 122 N HN 0.338 nan 8.380 nan 0.000 0.522 123 K N -0.481 119.879 120.400 -0.066 0.000 3.339 123 K HA -0.119 4.201 4.320 0.000 0.000 0.299 123 K C 0.526 177.096 176.600 -0.049 0.000 1.270 123 K CA 0.865 57.130 56.287 -0.035 0.000 0.875 123 K CB -2.256 30.226 32.500 -0.030 0.000 1.298 123 K HN 0.419 nan 8.250 nan 0.000 0.485 124 V N -1.243 118.638 119.914 -0.055 0.000 3.383 124 V HA -0.117 4.003 4.120 0.000 0.000 0.272 124 V C 1.528 177.548 176.094 -0.124 0.000 1.181 124 V CA 1.870 64.118 62.300 -0.086 0.000 1.171 124 V CB -0.368 31.394 31.823 -0.101 0.000 0.800 124 V HN 0.453 nan 8.190 nan 0.000 0.515 125 D N 0.035 120.380 120.400 -0.093 0.000 2.392 125 D HA 0.078 4.718 4.640 0.000 0.000 0.206 125 D C 0.763 177.013 176.300 -0.083 0.000 1.046 125 D CA -0.292 53.646 54.000 -0.104 0.000 0.865 125 D CB 0.177 40.916 40.800 -0.101 0.000 0.969 125 D HN 0.544 nan 8.370 nan 0.000 0.509 126 I N 1.861 122.395 120.570 -0.061 0.000 2.452 126 I HA 0.018 4.188 4.170 0.000 0.000 0.287 126 I C 1.286 177.375 176.117 -0.047 0.000 1.079 126 I CA -0.187 61.087 61.300 -0.044 0.000 1.387 126 I CB 1.077 39.062 38.000 -0.026 0.000 1.404 126 I HN -0.261 nan 8.210 nan 0.000 0.522 127 K N 3.191 123.564 120.400 -0.044 0.000 2.555 127 K HA -0.083 4.238 4.320 0.000 0.000 0.193 127 K C 0.043 176.623 176.600 -0.033 0.000 1.032 127 K CA 0.626 56.887 56.287 -0.044 0.000 1.004 127 K CB -0.092 32.385 32.500 -0.040 0.000 0.804 127 K HN 0.453 nan 8.250 nan 0.000 0.496 128 D N 1.054 121.438 120.400 -0.026 0.000 3.010 128 D HA 0.024 4.664 4.640 0.000 0.000 0.347 128 D C -0.793 175.498 176.300 -0.015 0.000 1.340 128 D CA -0.394 53.595 54.000 -0.019 0.000 0.858 128 D CB 0.170 40.962 40.800 -0.012 0.000 1.111 128 D HN -0.027 nan 8.370 nan 0.000 0.482 129 R N 1.167 121.654 120.500 -0.021 0.000 2.484 129 R HA 0.058 4.399 4.340 0.000 0.000 0.293 129 R C 0.345 176.641 176.300 -0.008 0.000 1.023 129 R CA 0.286 56.377 56.100 -0.015 0.000 1.037 129 R CB 0.465 30.750 30.300 -0.024 0.000 0.951 129 R HN -0.036 nan 8.270 nan 0.000 0.418 130 K N 3.634 124.036 120.400 0.004 0.000 2.414 130 K HA 0.151 4.471 4.320 0.000 0.000 0.204 130 K C -0.588 176.012 176.600 -0.000 0.000 1.026 130 K CA -0.048 56.241 56.287 0.003 0.000 1.108 130 K CB 1.195 33.702 32.500 0.011 0.000 0.855 130 K HN 0.299 nan 8.250 nan 0.000 0.517 131 V N 3.523 123.441 119.914 0.006 0.000 2.289 131 V HA 0.145 4.265 4.120 0.000 0.000 0.272 131 V C -0.333 175.735 176.094 -0.043 0.000 1.026 131 V CA -1.009 61.276 62.300 -0.024 0.000 0.807 131 V CB 1.052 32.916 31.823 0.067 0.000 1.044 131 V HN 0.043 nan 8.190 nan 0.000 0.443 132 K N 2.855 123.211 120.400 -0.074 0.000 2.368 132 K HA 0.346 4.666 4.320 0.000 0.000 0.282 132 K C 1.458 178.005 176.600 -0.088 0.000 1.035 132 K CA 0.233 56.481 56.287 -0.065 0.000 0.973 132 K CB 1.123 33.586 32.500 -0.062 0.000 0.957 132 K HN 0.613 nan 8.250 nan 0.000 0.474 133 A N 3.867 126.649 122.820 -0.063 0.000 2.093 133 A HA -0.299 4.021 4.320 0.000 0.000 0.222 133 A C 1.976 179.493 177.584 -0.112 0.000 1.162 133 A CA 2.226 54.211 52.037 -0.086 0.000 0.655 133 A CB -0.450 18.523 19.000 -0.046 0.000 0.805 133 A HN 0.820 nan 8.150 nan 0.000 0.461 134 K N -0.129 120.217 120.400 -0.089 0.000 2.103 134 K HA -0.077 4.243 4.320 0.000 0.000 0.207 134 K C 1.599 178.132 176.600 -0.113 0.000 1.048 134 K CA 2.228 58.465 56.287 -0.083 0.000 0.930 134 K CB -0.766 31.697 32.500 -0.063 0.000 0.716 134 K HN 0.201 nan 8.250 nan 0.000 0.444 135 S N 0.436 116.037 115.700 -0.165 0.000 2.453 135 S HA 0.128 4.598 4.470 0.000 0.000 0.231 135 S C 0.560 174.943 174.600 -0.361 0.000 1.005 135 S CA 0.415 58.469 58.200 -0.243 0.000 0.949 135 S CB -0.427 62.596 63.200 -0.295 0.000 0.774 135 S HN 0.270 nan 8.310 nan 0.000 0.510 136 I N 2.235 122.607 120.570 -0.329 0.000 2.322 136 I HA 0.178 4.348 4.170 0.000 0.000 0.292 136 I C 0.533 176.675 176.117 0.042 0.000 1.060 136 I CA -0.278 60.870 61.300 -0.254 0.000 1.309 136 I CB 1.106 38.904 38.000 -0.335 0.000 1.415 136 I HN -0.034 nan 8.210 nan 0.000 0.492 137 V N 1.926 122.002 119.914 0.269 0.000 3.443 137 V HA 0.049 4.169 4.120 0.000 0.000 0.277 137 V C 1.177 177.378 176.094 0.178 0.000 1.648 137 V CA -0.162 62.243 62.300 0.174 0.000 1.058 137 V CB -0.835 31.019 31.823 0.052 0.000 0.877 137 V HN 0.639 nan 8.190 nan 0.000 0.417 138 F N 3.908 124.013 119.950 0.257 0.000 2.031 138 F HA -0.171 4.356 4.527 0.000 0.000 0.295 138 F C 2.862 178.687 175.800 0.041 0.000 1.133 138 F CA 2.819 60.869 58.000 0.083 0.000 1.188 138 F CB -0.353 38.615 39.000 -0.052 0.000 0.974 138 F HN 0.454 nan 8.300 nan 0.000 0.473 139 H N 0.466 119.648 119.070 0.186 0.000 2.407 139 H HA -0.256 4.300 4.556 0.000 0.000 0.293 139 H C 2.144 177.376 175.328 -0.160 0.000 1.122 139 H CA 1.999 58.066 56.048 0.032 0.000 1.232 139 H CB -1.640 28.180 29.762 0.098 0.000 1.361 139 H HN 0.329 nan 8.280 nan 0.000 0.498 140 R N 1.076 121.178 120.500 -0.663 0.000 2.154 140 R HA -0.190 4.150 4.340 0.000 0.000 0.236 140 R C 2.427 178.538 176.300 -0.314 0.000 1.121 140 R CA 2.741 58.519 56.100 -0.537 0.000 0.915 140 R CB -0.134 29.878 30.300 -0.479 0.000 0.856 140 R HN 0.473 nan 8.270 nan 0.000 0.431 141 K N 0.440 120.646 120.400 -0.324 0.000 2.366 141 K HA 0.032 4.352 4.320 0.000 0.000 0.198 141 K C 1.326 177.769 176.600 -0.261 0.000 1.044 141 K CA 0.980 57.116 56.287 -0.252 0.000 0.973 141 K CB 0.238 32.595 32.500 -0.238 0.000 0.767 141 K HN 0.010 nan 8.250 nan 0.000 0.475 142 K N 0.980 121.149 120.400 -0.385 0.000 2.404 142 K HA 0.136 4.456 4.320 0.000 0.000 0.194 142 K C -0.343 176.172 176.600 -0.142 0.000 1.023 142 K CA 0.022 56.108 56.287 -0.336 0.000 1.094 142 K CB -0.053 32.008 32.500 -0.731 0.000 0.841 142 K HN 0.266 nan 8.250 nan 0.000 0.523 143 N N 1.244 119.867 118.700 -0.128 0.000 2.758 143 N HA -0.175 4.566 4.740 0.000 0.000 0.248 143 N C -0.884 174.650 175.510 0.040 0.000 1.076 143 N CA 0.544 53.573 53.050 -0.035 0.000 0.696 143 N CB -1.376 37.109 38.487 -0.003 0.000 0.979 143 N HN 0.185 nan 8.380 nan 0.000 0.550 144 L N 0.075 121.325 121.223 0.046 0.000 2.331 144 L HA 0.439 4.779 4.340 0.000 0.000 0.275 144 L C 0.813 177.659 176.870 -0.040 0.000 1.022 144 L CA -0.911 53.957 54.840 0.046 0.000 0.812 144 L CB 1.236 43.362 42.059 0.113 0.000 1.257 144 L HN -0.007 nan 8.230 nan 0.000 0.435 145 Q N 1.221 120.778 119.800 -0.404 0.000 2.421 145 Q HA 0.165 4.505 4.340 0.000 0.000 0.255 145 Q C -1.557 174.205 176.000 -0.396 0.000 1.013 145 Q CA 0.428 55.844 55.803 -0.645 0.000 0.895 145 Q CB 0.718 28.448 28.738 -1.680 0.000 1.271 145 Q HN 0.448 nan 8.270 nan 0.000 0.460 146 Y N 2.599 122.556 120.300 -0.572 0.000 2.477 146 Y HA 0.576 5.126 4.550 0.000 0.000 0.347 146 Y C -1.936 173.584 175.900 -0.634 0.000 0.981 146 Y CA -0.873 56.899 58.100 -0.546 0.000 1.033 146 Y CB 1.273 39.269 38.460 -0.774 0.000 1.245 146 Y HN 0.692 nan 8.280 nan 0.000 0.455 147 Y N 2.742 122.217 120.300 -1.375 0.000 2.504 147 Y HA 0.279 4.830 4.550 0.000 0.000 0.344 147 Y C -1.073 174.261 175.900 -0.943 0.000 1.023 147 Y CA -1.373 56.213 58.100 -0.856 0.000 1.020 147 Y CB 1.809 39.963 38.460 -0.510 0.000 1.282 147 Y HN 0.579 nan 8.280 nan 0.000 0.454 148 D N 3.778 124.135 120.400 -0.072 0.000 2.347 148 D HA 0.436 5.076 4.640 0.000 0.000 0.235 148 D C -0.713 175.655 176.300 0.113 0.000 1.149 148 D CA 0.069 54.145 54.000 0.127 0.000 0.850 148 D CB 0.333 41.428 40.800 0.491 0.000 1.061 148 D HN 0.493 nan 8.370 nan 0.000 0.487 149 I N -0.561 119.998 120.570 -0.018 0.000 2.785 149 I HA 0.684 4.854 4.170 0.000 0.000 0.302 149 I C -0.690 175.461 176.117 0.055 0.000 1.069 149 I CA -0.827 60.474 61.300 0.002 0.000 1.045 149 I CB 2.341 40.199 38.000 -0.237 0.000 1.236 149 I HN 0.121 nan 8.210 nan 0.000 0.429 150 S N 2.700 118.485 115.700 0.141 0.000 2.521 150 S HA 0.754 5.224 4.470 0.000 0.000 0.295 150 S C 0.346 175.024 174.600 0.130 0.000 1.098 150 S CA -0.091 58.158 58.200 0.082 0.000 0.999 150 S CB 1.911 65.134 63.200 0.039 0.000 1.034 150 S HN 0.912 nan 8.310 nan 0.000 0.483 151 A N 3.724 126.647 122.820 0.172 0.000 2.275 151 A HA 0.276 4.596 4.320 0.000 0.000 0.212 151 A C 1.600 179.242 177.584 0.098 0.000 1.201 151 A CA 0.237 52.455 52.037 0.302 0.000 0.843 151 A CB -0.166 19.129 19.000 0.491 0.000 0.873 151 A HN 0.753 nan 8.150 nan 0.000 0.492 152 K N -0.087 120.219 120.400 -0.157 0.000 2.361 152 K HA 0.039 4.359 4.320 0.000 0.000 0.194 152 K C 0.834 177.170 176.600 -0.439 0.000 1.032 152 K CA 1.143 57.037 56.287 -0.655 0.000 1.048 152 K CB 0.251 32.369 32.500 -0.637 0.000 0.842 152 K HN 0.491 nan 8.250 nan 0.000 0.526 153 S N -1.145 114.396 115.700 -0.265 0.000 2.800 153 S HA 0.119 4.589 4.470 0.000 0.000 0.266 153 S C -0.199 174.291 174.600 -0.183 0.000 1.029 153 S CA -0.396 57.684 58.200 -0.200 0.000 1.302 153 S CB 0.057 63.184 63.200 -0.123 0.000 1.212 153 S HN 0.281 nan 8.310 nan 0.000 0.683 154 N N 0.883 119.423 118.700 -0.266 0.000 2.735 154 N HA -0.193 4.547 4.740 0.000 0.000 0.248 154 N C -0.589 174.947 175.510 0.043 0.000 1.083 154 N CA 0.805 53.668 53.050 -0.311 0.000 0.703 154 N CB -2.307 35.849 38.487 -0.552 0.000 1.005 154 N HN 0.767 nan 8.380 nan 0.000 0.550 155 Y N 1.496 121.788 120.300 -0.013 0.000 2.442 155 Y HA 0.145 4.695 4.550 0.000 0.000 0.330 155 Y C 0.981 176.928 175.900 0.077 0.000 1.129 155 Y CA -0.274 57.838 58.100 0.021 0.000 1.365 155 Y CB 0.165 38.621 38.460 -0.007 0.000 1.233 155 Y HN 0.318 nan 8.280 nan 0.000 0.529 156 N N 5.403 123.789 118.700 -0.524 0.000 2.700 156 N HA -0.347 4.393 4.740 0.000 0.000 0.265 156 N C 0.397 175.831 175.510 -0.127 0.000 0.975 156 N CA 0.749 53.534 53.050 -0.441 0.000 0.800 156 N CB -0.834 37.223 38.487 -0.716 0.000 0.908 156 N HN 0.802 nan 8.380 nan 0.000 0.551 157 F N 0.446 120.338 119.950 -0.096 0.000 2.234 157 F HA -0.054 4.473 4.527 0.000 0.000 0.296 157 F C 1.713 177.691 175.800 0.296 0.000 1.089 157 F CA 0.904 58.949 58.000 0.074 0.000 1.343 157 F CB 0.361 39.400 39.000 0.066 0.000 1.040 157 F HN 0.176 nan 8.300 nan 0.000 0.498 158 E N -0.507 119.781 120.200 0.147 0.000 2.548 158 E HA -0.004 4.347 4.350 0.000 0.000 0.206 158 E C 1.487 178.112 176.600 0.043 0.000 1.005 158 E CA -0.288 56.231 56.400 0.199 0.000 0.951 158 E CB 0.344 30.195 29.700 0.253 0.000 1.035 158 E HN 0.149 nan 8.360 nan 0.000 0.470 159 K N 0.633 120.897 120.400 -0.227 0.000 2.032 159 K HA -0.115 4.205 4.320 0.000 0.000 0.209 159 K C -0.838 175.464 176.600 -0.496 0.000 1.048 159 K CA 1.324 57.236 56.287 -0.626 0.000 0.927 159 K CB -1.552 30.051 32.500 -1.495 0.000 0.712 159 K HN 0.148 nan 8.250 nan 0.000 0.441 160 P HA -0.106 nan 4.420 nan 0.000 0.218 160 P C 1.232 178.283 177.300 -0.413 0.000 1.148 160 P CA 1.197 64.094 63.100 -0.339 0.000 0.822 160 P CB -0.047 31.378 31.700 -0.458 0.000 0.784 161 F N -1.781 118.019 119.950 -0.250 0.000 2.262 161 F HA 0.045 4.572 4.527 0.000 0.000 0.292 161 F C 2.121 177.781 175.800 -0.234 0.000 1.081 161 F CA 0.416 58.121 58.000 -0.492 0.000 1.355 161 F CB -1.329 37.155 39.000 -0.861 0.000 1.069 161 F HN -0.216 nan 8.300 nan 0.000 0.506 162 L N -0.757 120.432 121.223 -0.057 0.000 2.079 162 L HA -0.205 4.135 4.340 0.000 0.000 0.210 162 L C 2.020 178.783 176.870 -0.178 0.000 1.081 162 L CA 1.695 56.271 54.840 -0.439 0.000 0.752 162 L CB -0.963 40.796 42.059 -0.500 0.000 0.896 162 L HN 0.349 nan 8.230 nan 0.000 0.433 163 W N -0.101 121.098 121.300 -0.168 0.000 2.381 163 W HA -0.163 4.498 4.660 0.000 0.000 0.321 163 W C 2.355 178.847 176.519 -0.045 0.000 1.196 163 W CA 2.052 59.361 57.345 -0.060 0.000 1.304 163 W CB -0.458 29.040 29.460 0.063 0.000 1.166 163 W HN 0.075 nan 8.180 nan 0.000 0.473 164 L N 0.807 122.112 121.223 0.136 0.000 2.021 164 L HA -0.343 3.997 4.340 0.000 0.000 0.215 164 L C 2.705 179.517 176.870 -0.096 0.000 1.074 164 L CA 1.875 56.718 54.840 0.004 0.000 0.760 164 L CB -1.649 40.544 42.059 0.222 0.000 0.889 164 L HN 0.198 nan 8.230 nan 0.000 0.433 165 A N 0.208 123.081 122.820 0.088 0.000 1.869 165 A HA -0.295 4.025 4.320 0.000 0.000 0.218 165 A C 2.332 179.789 177.584 -0.212 0.000 1.203 165 A CA 2.264 54.290 52.037 -0.018 0.000 0.638 165 A CB -0.705 18.321 19.000 0.043 0.000 0.831 165 A HN 0.360 nan 8.150 nan 0.000 0.450 166 R N -0.650 119.685 120.500 -0.275 0.000 2.139 166 R HA -0.149 4.191 4.340 0.000 0.000 0.243 166 R C 2.128 178.221 176.300 -0.345 0.000 1.145 166 R CA 1.603 57.525 56.100 -0.296 0.000 0.976 166 R CB -0.171 29.945 30.300 -0.306 0.000 0.866 166 R HN 0.388 nan 8.270 nan 0.000 0.449 167 K N 0.514 120.620 120.400 -0.490 0.000 2.031 167 K HA -0.056 4.264 4.320 0.000 0.000 0.205 167 K C 2.122 178.534 176.600 -0.313 0.000 1.049 167 K CA 1.190 57.197 56.287 -0.466 0.000 0.939 167 K CB -0.340 31.752 32.500 -0.679 0.000 0.717 167 K HN 0.199 nan 8.250 nan 0.000 0.438 168 L N 0.839 121.847 121.223 -0.358 0.000 2.156 168 L HA -0.040 4.300 4.340 0.000 0.000 0.208 168 L C 2.172 178.902 176.870 -0.234 0.000 1.095 168 L CA 0.671 55.279 54.840 -0.387 0.000 0.770 168 L CB -0.221 41.288 42.059 -0.917 0.000 0.914 168 L HN 0.053 nan 8.230 nan 0.000 0.439 169 I N -0.298 120.150 120.570 -0.203 0.000 3.226 169 I HA 0.070 4.240 4.170 0.000 0.000 0.277 169 I C 1.383 177.461 176.117 -0.065 0.000 1.243 169 I CA 0.912 62.170 61.300 -0.069 0.000 1.459 169 I CB -0.979 36.993 38.000 -0.046 0.000 1.093 169 I HN 0.437 nan 8.210 nan 0.000 0.453 170 G N 2.877 111.611 108.800 -0.110 0.000 2.256 170 G HA2 -0.230 3.730 3.960 0.000 0.000 0.272 170 G HA3 -0.230 3.730 3.960 0.000 0.000 0.272 170 G C -0.160 174.693 174.900 -0.077 0.000 1.076 170 G CA 0.448 45.494 45.100 -0.091 0.000 0.882 170 G HN 0.472 nan 8.290 nan 0.000 0.497 171 D N -0.376 119.964 120.400 -0.099 0.000 2.476 171 D HA 0.442 5.082 4.640 0.000 0.000 0.251 171 D C -1.333 174.907 176.300 -0.100 0.000 1.291 171 D CA -1.785 52.168 54.000 -0.078 0.000 0.939 171 D CB 1.832 42.597 40.800 -0.059 0.000 1.221 171 D HN 0.056 nan 8.370 nan 0.000 0.567 172 P HA 0.009 nan 4.420 nan 0.000 0.216 172 P C 0.404 177.668 177.300 -0.061 0.000 1.153 172 P CA 0.732 63.788 63.100 -0.075 0.000 0.844 172 P CB 0.277 31.951 31.700 -0.045 0.000 0.787 173 N N 0.313 118.985 118.700 -0.046 0.000 2.466 173 N HA 0.085 4.825 4.740 0.000 0.000 0.251 173 N C -0.164 175.320 175.510 -0.044 0.000 1.164 173 N CA -0.204 52.825 53.050 -0.035 0.000 0.888 173 N CB 0.062 38.539 38.487 -0.017 0.000 1.177 173 N HN 0.110 nan 8.380 nan 0.000 0.498 174 L N 1.221 122.399 121.223 -0.075 0.000 2.295 174 L HA 0.296 4.636 4.340 0.000 0.000 0.288 174 L C -0.026 176.764 176.870 -0.133 0.000 1.079 174 L CA -0.371 54.417 54.840 -0.087 0.000 0.830 174 L CB 0.226 42.220 42.059 -0.109 0.000 1.200 174 L HN -0.040 nan 8.230 nan 0.000 0.438 175 E N 3.650 123.808 120.200 -0.070 0.000 2.204 175 E HA 0.412 4.762 4.350 0.000 0.000 0.276 175 E C -0.756 175.862 176.600 0.030 0.000 0.974 175 E CA -0.493 55.871 56.400 -0.061 0.000 0.815 175 E CB 0.745 30.450 29.700 0.008 0.000 1.119 175 E HN 0.395 nan 8.360 nan 0.000 0.393 176 F N 2.077 122.056 119.950 0.047 0.000 2.480 176 F HA 0.342 4.869 4.527 0.000 0.000 0.319 176 F C 0.643 176.496 175.800 0.089 0.000 1.230 176 F CA -0.229 57.818 58.000 0.079 0.000 1.285 176 F CB 0.448 39.493 39.000 0.075 0.000 1.208 176 F HN 0.225 nan 8.300 nan 0.000 0.579 177 V N -0.231 119.887 119.914 0.339 0.000 3.202 177 V HA 0.722 4.842 4.120 0.000 0.000 0.306 177 V C -0.860 175.325 176.094 0.152 0.000 1.283 177 V CA -0.688 61.732 62.300 0.200 0.000 1.065 177 V CB 2.218 34.135 31.823 0.156 0.000 1.079 177 V HN 0.804 nan 8.190 nan 0.000 0.448 178 A N 3.865 126.739 122.820 0.091 0.000 2.988 178 A HA 0.809 5.129 4.320 0.000 0.000 0.288 178 A C 0.099 177.674 177.584 -0.015 0.000 1.385 178 A CA 0.119 52.185 52.037 0.049 0.000 1.001 178 A CB -0.888 18.139 19.000 0.046 0.000 1.071 178 A HN 1.162 nan 8.150 nan 0.000 0.608 179 M N 0.000 119.557 119.600 -0.071 0.000 2.572 179 M HA 0.000 4.480 4.480 0.000 0.000 0.227 179 M CA 0.000 55.142 55.300 -0.264 0.000 0.988 179 M CB 0.000 32.489 32.600 -0.186 0.000 1.302 179 M HN 0.000 nan 8.290 nan 0.000 0.411