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 1ddl_1_C DATA FIRST_RESID 14 DATA SEQUENCE NTKPSLLPPP VGNPPPVISY PFQITLASLG TEDAADSVSI ASNSVLATYT DATA SEQUENCE ALYRHAQLKH LKATIHPTYM APKYPTSVAL VWVPANSTAT STQVLDTYGG DATA SEQUENCE LHFCIGGSVN SVKPIDVEAN LTNLNPIIKA STTFTDTPKL LYYSKAQATA DATA SEQUENCE PTSPTCYLTI QGQIELSSPL LQASS 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 14 N HA 0.000 nan 4.740 nan 0.000 0.220 14 N C 0.000 175.513 175.510 0.005 0.000 1.280 14 N CA 0.000 53.053 53.050 0.004 0.000 0.885 14 N CB 0.000 38.489 38.487 0.004 0.000 1.341 15 T N -0.156 114.402 114.554 0.006 0.000 3.936 15 T HA -0.196 4.154 4.350 0.000 0.000 0.373 15 T C -0.742 173.962 174.700 0.008 0.000 0.759 15 T CA 1.230 63.334 62.100 0.007 0.000 2.004 15 T CB -1.273 67.599 68.868 0.006 0.000 1.792 15 T HN 0.467 nan 8.240 nan 0.000 0.827 16 K N 1.960 122.364 120.400 0.008 0.000 3.022 16 K HA 0.493 4.813 4.320 0.000 0.000 0.178 16 K C -0.656 175.950 176.600 0.010 0.000 1.089 16 K CA -1.215 55.077 56.287 0.008 0.000 0.916 16 K CB 0.686 33.190 32.500 0.007 0.000 1.159 16 K HN 0.311 nan 8.250 nan 0.000 0.592 17 P HA -0.080 nan 4.420 nan 0.000 0.199 17 P C -0.858 176.450 177.300 0.014 0.000 1.085 17 P CA 0.500 63.608 63.100 0.014 0.000 0.924 17 P CB 0.114 31.824 31.700 0.017 0.000 0.736 18 S N -2.751 112.960 115.700 0.018 0.000 2.720 18 S HA 0.382 4.852 4.470 0.000 0.000 0.318 18 S C -1.304 173.311 174.600 0.026 0.000 0.872 18 S CA -1.069 57.142 58.200 0.019 0.000 0.794 18 S CB -0.327 62.883 63.200 0.017 0.000 1.009 18 S HN 0.113 nan 8.310 nan 0.000 0.491 19 L N 2.224 123.461 121.223 0.024 0.000 2.177 19 L HA 0.715 5.055 4.340 0.000 0.000 0.255 19 L C -0.863 176.022 176.870 0.025 0.000 1.065 19 L CA -1.383 53.474 54.840 0.028 0.000 0.982 19 L CB 1.777 43.850 42.059 0.023 0.000 1.559 19 L HN 0.850 nan 8.230 nan 0.000 0.492 20 L N 0.757 121.995 121.223 0.025 0.000 2.332 20 L HA 0.482 4.822 4.340 0.000 0.000 0.269 20 L C -2.009 174.869 176.870 0.014 0.000 1.016 20 L CA -1.591 53.261 54.840 0.020 0.000 0.809 20 L CB 1.636 43.710 42.059 0.024 0.000 1.280 20 L HN 0.488 nan 8.230 nan 0.000 0.447 21 P HA 0.281 nan 4.420 nan 0.000 0.277 21 P C -2.648 174.655 177.300 0.006 0.000 1.240 21 P CA -1.265 61.840 63.100 0.007 0.000 0.798 21 P CB -0.272 31.432 31.700 0.006 0.000 0.979 22 P HA 0.187 nan 4.420 nan 0.000 0.268 22 P C -2.357 174.943 177.300 -0.000 0.000 1.204 22 P CA -0.976 62.126 63.100 0.002 0.000 0.768 22 P CB -1.148 30.553 31.700 0.002 0.000 0.842 23 P HA -0.039 nan 4.420 nan 0.000 0.258 23 P C 1.217 178.515 177.300 -0.004 0.000 1.187 23 P CA 0.100 63.197 63.100 -0.006 0.000 0.767 23 P CB 0.190 31.884 31.700 -0.010 0.000 0.770 24 V N 3.384 123.297 119.914 -0.003 0.000 2.214 24 V HA -0.144 3.976 4.120 0.000 0.000 0.244 24 V C 1.747 177.839 176.094 -0.002 0.000 1.045 24 V CA 2.631 64.930 62.300 -0.001 0.000 0.993 24 V CB -1.281 30.542 31.823 -0.000 0.000 0.633 24 V HN 0.773 nan 8.190 nan 0.000 0.449 25 G N -1.264 107.535 108.800 -0.002 0.000 3.410 25 G HA2 0.213 4.173 3.960 0.000 0.000 0.189 25 G HA3 0.213 4.173 3.960 0.000 0.000 0.189 25 G C -0.222 174.676 174.900 -0.003 0.000 1.404 25 G CA -0.485 44.614 45.100 -0.002 0.000 0.898 25 G HN 0.336 nan 8.290 nan 0.000 0.650 26 N N 2.183 120.881 118.700 -0.002 0.000 2.492 26 N HA 0.226 4.966 4.740 0.000 0.000 0.262 26 N C -2.071 173.436 175.510 -0.005 0.000 1.202 26 N CA -0.457 52.592 53.050 -0.003 0.000 0.926 26 N CB 1.006 39.493 38.487 0.000 0.000 1.078 26 N HN 0.172 nan 8.380 nan 0.000 0.454 27 P HA 0.271 nan 4.420 nan 0.000 0.275 27 P C -2.510 174.783 177.300 -0.011 0.000 1.228 27 P CA -0.937 62.153 63.100 -0.017 0.000 0.786 27 P CB -0.323 31.363 31.700 -0.024 0.000 0.927 28 P HA 0.209 nan 4.420 nan 0.000 0.271 28 P C -2.282 175.021 177.300 0.005 0.000 1.218 28 P CA -1.106 61.997 63.100 0.004 0.000 0.780 28 P CB -1.018 30.689 31.700 0.013 0.000 0.901 29 P HA 0.107 nan 4.420 nan 0.000 0.269 29 P C -0.788 176.520 177.300 0.015 0.000 1.209 29 P CA 0.090 63.200 63.100 0.017 0.000 0.776 29 P CB 0.480 32.196 31.700 0.027 0.000 0.876 30 V N 3.949 123.864 119.914 0.002 0.000 2.604 30 V HA 0.471 4.591 4.120 0.000 0.000 0.305 30 V C 0.301 176.383 176.094 -0.020 0.000 1.043 30 V CA -0.688 61.605 62.300 -0.011 0.000 0.888 30 V CB 1.948 33.769 31.823 -0.003 0.000 0.995 30 V HN 0.528 nan 8.190 nan 0.000 0.429 31 I N 2.453 122.994 120.570 -0.048 0.000 2.740 31 I HA 0.617 4.787 4.170 0.000 0.000 0.303 31 I C -0.163 175.935 176.117 -0.033 0.000 1.044 31 I CA -0.004 61.277 61.300 -0.032 0.000 1.064 31 I CB 2.397 40.385 38.000 -0.022 0.000 1.249 31 I HN 0.630 nan 8.210 nan 0.000 0.433 32 S N 5.282 120.977 115.700 -0.009 0.000 2.451 32 S HA 0.455 4.925 4.470 0.000 0.000 0.301 32 S C -1.286 173.324 174.600 0.018 0.000 1.116 32 S CA -0.267 57.930 58.200 -0.005 0.000 1.093 32 S CB 0.969 64.150 63.200 -0.033 0.000 1.017 32 S HN 0.436 nan 8.310 nan 0.000 0.482 33 Y N 5.084 125.335 120.300 -0.082 0.000 2.364 33 Y HA 0.503 5.053 4.550 0.000 0.000 0.340 33 Y C -2.465 173.403 175.900 -0.053 0.000 0.975 33 Y CA -1.874 56.153 58.100 -0.121 0.000 1.089 33 Y CB 1.695 40.010 38.460 -0.242 0.000 1.192 33 Y HN 0.410 nan 8.280 nan 0.000 0.454 34 P HA 0.434 nan 4.420 nan 0.000 0.281 34 P C -1.522 175.775 177.300 -0.005 0.000 1.264 34 P CA -0.222 62.745 63.100 -0.222 0.000 0.824 34 P CB 1.981 33.502 31.700 -0.298 0.000 1.092 35 F N -2.621 117.319 119.950 -0.017 0.000 2.703 35 F HA 0.635 5.162 4.527 0.000 0.000 0.308 35 F C -1.761 174.090 175.800 0.086 0.000 1.126 35 F CA -1.008 57.046 58.000 0.090 0.000 0.959 35 F CB 1.585 40.716 39.000 0.218 0.000 1.297 35 F HN 0.357 nan 8.300 nan 0.000 0.441 36 Q N 2.898 122.867 119.800 0.281 0.000 2.268 36 Q HA 0.725 5.065 4.340 0.000 0.000 0.266 36 Q C -2.218 173.932 176.000 0.249 0.000 1.006 36 Q CA -0.539 55.374 55.803 0.182 0.000 0.824 36 Q CB 2.405 31.175 28.738 0.054 0.000 1.306 36 Q HN 0.840 nan 8.270 nan 0.000 0.424 37 I N 2.303 123.030 120.570 0.262 0.000 2.545 37 I HA 0.352 4.522 4.170 0.000 0.000 0.292 37 I C -0.474 175.720 176.117 0.127 0.000 1.040 37 I CA -0.844 60.570 61.300 0.190 0.000 1.068 37 I CB 2.571 40.701 38.000 0.216 0.000 1.251 37 I HN 0.519 nan 8.210 nan 0.000 0.424 38 T N 6.567 121.165 114.554 0.073 0.000 2.723 38 T HA 0.332 4.682 4.350 0.000 0.000 0.297 38 T C 1.298 176.038 174.700 0.066 0.000 0.925 38 T CA -0.264 61.869 62.100 0.054 0.000 1.030 38 T CB 0.595 69.465 68.868 0.002 0.000 0.905 38 T HN 0.406 nan 8.240 nan 0.000 0.502 39 L N 1.893 123.149 121.223 0.054 0.000 2.209 39 L HA 0.395 4.735 4.340 0.000 0.000 0.207 39 L C 1.205 178.086 176.870 0.018 0.000 1.094 39 L CA 0.266 55.127 54.840 0.035 0.000 0.790 39 L CB -0.096 41.952 42.059 -0.018 0.000 0.932 39 L HN 0.654 nan 8.230 nan 0.000 0.447 40 A N -1.143 121.670 122.820 -0.011 0.000 2.605 40 A HA 0.606 4.926 4.320 0.000 0.000 0.294 40 A C -0.998 176.612 177.584 0.043 0.000 1.062 40 A CA -0.440 51.597 52.037 0.001 0.000 0.682 40 A CB 1.194 20.132 19.000 -0.103 0.000 1.278 40 A HN -0.080 nan 8.150 nan 0.000 0.410 41 S N 1.153 116.871 115.700 0.029 0.000 2.438 41 S HA 0.681 5.151 4.470 0.000 0.000 0.316 41 S C -0.302 174.211 174.600 -0.144 0.000 1.084 41 S CA -0.394 57.743 58.200 -0.105 0.000 1.107 41 S CB 0.281 63.461 63.200 -0.033 0.000 0.981 41 S HN 0.535 nan 8.310 nan 0.000 0.466 42 L N 1.313 122.409 121.223 -0.212 0.000 2.286 42 L HA 0.855 5.195 4.340 0.000 0.000 0.265 42 L C 1.264 178.032 176.870 -0.170 0.000 1.012 42 L CA -0.873 53.878 54.840 -0.148 0.000 0.818 42 L CB 1.220 43.207 42.059 -0.121 0.000 1.337 42 L HN 0.844 nan 8.230 nan 0.000 0.438 43 G N -0.375 108.347 108.800 -0.130 0.000 2.195 43 G HA2 -0.293 3.667 3.960 0.000 0.000 0.224 43 G HA3 -0.293 3.667 3.960 0.000 0.000 0.224 43 G C 0.740 175.556 174.900 -0.142 0.000 0.990 43 G CA 0.521 45.543 45.100 -0.129 0.000 0.639 43 G HN 0.724 nan 8.290 nan 0.000 0.514 44 T N -1.465 113.009 114.554 -0.133 0.000 3.044 44 T HA 0.506 4.856 4.350 0.000 0.000 0.250 44 T C 0.505 175.149 174.700 -0.093 0.000 1.081 44 T CA 1.235 63.257 62.100 -0.131 0.000 1.040 44 T CB 0.228 69.025 68.868 -0.119 0.000 0.962 44 T HN 1.294 nan 8.240 nan 0.000 0.506 45 E N -0.107 120.047 120.200 -0.077 0.000 2.396 45 E HA 0.331 4.681 4.350 0.000 0.000 0.280 45 E C -2.115 174.446 176.600 -0.065 0.000 1.065 45 E CA -1.108 55.257 56.400 -0.059 0.000 0.831 45 E CB 0.186 29.860 29.700 -0.042 0.000 1.272 45 E HN -0.128 nan 8.360 nan 0.000 0.443 46 D N 0.403 120.764 120.400 -0.066 0.000 2.449 46 D HA 0.441 5.081 4.640 0.000 0.000 0.236 46 D C -0.575 175.683 176.300 -0.070 0.000 1.149 46 D CA 0.730 54.671 54.000 -0.099 0.000 0.878 46 D CB 1.265 42.017 40.800 -0.080 0.000 1.198 46 D HN 0.645 nan 8.370 nan 0.000 0.446 47 A N 0.391 123.155 122.820 -0.093 0.000 2.572 47 A HA 0.822 5.142 4.320 0.000 0.000 0.295 47 A C -1.507 176.066 177.584 -0.018 0.000 1.072 47 A CA -0.422 51.610 52.037 -0.009 0.000 0.691 47 A CB 1.966 21.015 19.000 0.082 0.000 1.291 47 A HN 0.633 nan 8.150 nan 0.000 0.404 48 A N 1.514 124.304 122.820 -0.050 0.000 2.500 48 A HA 0.697 5.017 4.320 0.000 0.000 0.291 48 A C -1.565 175.819 177.584 -0.333 0.000 1.048 48 A CA -0.185 51.765 52.037 -0.145 0.000 0.791 48 A CB 1.368 20.417 19.000 0.082 0.000 1.309 48 A HN 0.927 nan 8.150 nan 0.000 0.397 49 D N 0.205 120.152 120.400 -0.754 0.000 2.643 49 D HA 0.738 5.378 4.640 0.000 0.000 0.283 49 D C -0.748 175.245 176.300 -0.511 0.000 1.242 49 D CA 0.598 54.269 54.000 -0.549 0.000 0.863 49 D CB 2.194 42.743 40.800 -0.418 0.000 1.382 49 D HN 0.880 nan 8.370 nan 0.000 0.444 50 S N -0.080 115.488 115.700 -0.219 0.000 2.557 50 S HA 0.704 5.174 4.470 0.000 0.000 0.291 50 S C -1.270 173.327 174.600 -0.005 0.000 1.116 50 S CA -0.655 57.487 58.200 -0.098 0.000 0.992 50 S CB 1.335 64.499 63.200 -0.058 0.000 1.028 50 S HN 0.217 nan 8.310 nan 0.000 0.484 51 V N 2.910 122.856 119.914 0.053 0.000 2.350 51 V HA 0.524 4.644 4.120 0.000 0.000 0.285 51 V C 0.262 176.423 176.094 0.112 0.000 1.014 51 V CA -0.633 61.725 62.300 0.097 0.000 0.831 51 V CB 1.369 33.280 31.823 0.146 0.000 1.000 51 V HN 0.989 nan 8.190 nan 0.000 0.433 52 S N 5.265 121.022 115.700 0.095 0.000 2.416 52 S HA 0.296 4.766 4.470 0.000 0.000 0.287 52 S C 1.382 176.050 174.600 0.113 0.000 1.139 52 S CA -0.722 57.542 58.200 0.106 0.000 1.058 52 S CB 0.126 63.371 63.200 0.075 0.000 0.967 52 S HN 0.504 nan 8.310 nan 0.000 0.495 53 I N 4.847 125.511 120.570 0.155 0.000 2.208 53 I HA -0.158 4.012 4.170 0.000 0.000 0.245 53 I C 2.623 178.783 176.117 0.071 0.000 1.097 53 I CA 1.557 62.940 61.300 0.137 0.000 1.363 53 I CB -1.893 36.221 38.000 0.189 0.000 1.051 53 I HN 0.759 nan 8.210 nan 0.000 0.413 54 A N -0.312 122.552 122.820 0.073 0.000 2.125 54 A HA -0.091 4.229 4.320 0.000 0.000 0.219 54 A C 2.315 179.918 177.584 0.030 0.000 1.156 54 A CA 1.498 53.563 52.037 0.048 0.000 0.671 54 A CB -0.449 18.589 19.000 0.064 0.000 0.794 54 A HN 0.416 nan 8.150 nan 0.000 0.459 55 S N -0.045 115.676 115.700 0.034 0.000 2.540 55 S HA 0.072 4.542 4.470 0.000 0.000 0.218 55 S C 0.616 175.222 174.600 0.010 0.000 0.977 55 S CA -0.636 57.576 58.200 0.021 0.000 0.918 55 S CB -0.252 62.964 63.200 0.028 0.000 0.806 55 S HN 0.683 nan 8.310 nan 0.000 0.496 56 N N 1.855 120.559 118.700 0.007 0.000 2.468 56 N HA 0.078 4.818 4.740 0.000 0.000 0.265 56 N C 0.822 176.308 175.510 -0.039 0.000 1.199 56 N CA 0.195 53.241 53.050 -0.008 0.000 0.928 56 N CB 0.867 39.349 38.487 -0.009 0.000 1.059 56 N HN 0.009 nan 8.380 nan 0.000 0.467 57 S N 2.734 118.413 115.700 -0.036 0.000 2.365 57 S HA -0.131 4.339 4.470 0.000 0.000 0.225 57 S C 1.929 176.465 174.600 -0.106 0.000 1.039 57 S CA 1.137 59.303 58.200 -0.057 0.000 1.033 57 S CB 0.025 63.201 63.200 -0.040 0.000 0.887 57 S HN 0.522 nan 8.310 nan 0.000 0.447 58 V N 1.976 121.821 119.914 -0.115 0.000 2.261 58 V HA -0.146 3.975 4.120 0.000 0.000 0.246 58 V C 2.217 178.124 176.094 -0.312 0.000 1.047 58 V CA 1.531 63.712 62.300 -0.199 0.000 1.015 58 V CB -0.705 31.049 31.823 -0.116 0.000 0.642 58 V HN 0.437 nan 8.190 nan 0.000 0.446 59 L N 0.169 121.265 121.223 -0.211 0.000 2.079 59 L HA -0.189 4.151 4.340 0.000 0.000 0.210 59 L C 2.740 179.538 176.870 -0.121 0.000 1.081 59 L CA 1.549 56.287 54.840 -0.169 0.000 0.752 59 L CB -0.840 41.110 42.059 -0.183 0.000 0.896 59 L HN 0.402 nan 8.230 nan 0.000 0.433 60 A N 0.173 122.924 122.820 -0.116 0.000 1.978 60 A HA -0.246 4.074 4.320 0.000 0.000 0.220 60 A C 2.414 179.940 177.584 -0.098 0.000 1.170 60 A CA 2.251 54.243 52.037 -0.074 0.000 0.636 60 A CB -0.890 18.073 19.000 -0.061 0.000 0.810 60 A HN 0.550 nan 8.150 nan 0.000 0.448 61 T N -3.381 111.046 114.554 -0.212 0.000 2.915 61 T HA -0.147 4.203 4.350 0.000 0.000 0.269 61 T C 1.688 176.304 174.700 -0.141 0.000 1.071 61 T CA 1.485 63.453 62.100 -0.220 0.000 1.132 61 T CB -0.603 68.079 68.868 -0.310 0.000 0.878 61 T HN 0.610 nan 8.240 nan 0.000 0.479 62 Y N 1.944 122.226 120.300 -0.030 0.000 2.314 62 Y HA 0.052 4.602 4.550 0.000 0.000 0.294 62 Y C 3.175 179.110 175.900 0.059 0.000 1.119 62 Y CA 0.812 58.892 58.100 -0.033 0.000 1.179 62 Y CB -0.143 38.284 38.460 -0.056 0.000 1.025 62 Y HN 0.410 nan 8.280 nan 0.000 0.541 63 T N -2.542 112.129 114.554 0.195 0.000 3.113 63 T HA 0.146 4.496 4.350 0.000 0.000 0.256 63 T C 1.890 176.684 174.700 0.156 0.000 1.131 63 T CA 0.492 62.709 62.100 0.194 0.000 1.074 63 T CB -0.156 68.775 68.868 0.105 0.000 0.944 63 T HN 0.266 nan 8.240 nan 0.000 0.516 64 A N 2.030 124.899 122.820 0.082 0.000 1.978 64 A HA 0.132 4.452 4.320 0.000 0.000 0.220 64 A C 2.211 179.786 177.584 -0.015 0.000 1.170 64 A CA 1.176 53.227 52.037 0.022 0.000 0.636 64 A CB -0.783 18.210 19.000 -0.011 0.000 0.810 64 A HN 0.615 nan 8.150 nan 0.000 0.448 65 L N -2.121 119.073 121.223 -0.048 0.000 2.591 65 L HA 0.139 4.479 4.340 0.000 0.000 0.228 65 L C 0.095 176.629 176.870 -0.560 0.000 1.133 65 L CA -0.053 54.598 54.840 -0.316 0.000 0.880 65 L CB -0.353 41.422 42.059 -0.474 0.000 1.033 65 L HN 0.393 nan 8.230 nan 0.000 0.450 66 Y N -1.610 118.704 120.300 0.024 0.000 2.659 66 Y HA 0.416 4.966 4.550 0.000 0.000 0.333 66 Y C 1.215 177.141 175.900 0.044 0.000 1.064 66 Y CA -1.047 57.077 58.100 0.039 0.000 1.141 66 Y CB 1.005 39.498 38.460 0.055 0.000 1.316 66 Y HN -0.282 nan 8.280 nan 0.000 0.509 67 R N -0.686 119.960 120.500 0.243 0.000 2.254 67 R HA 0.067 4.407 4.340 0.000 0.000 0.193 67 R C -0.539 175.890 176.300 0.216 0.000 0.929 67 R CA 0.256 56.456 56.100 0.168 0.000 1.038 67 R CB 0.307 30.685 30.300 0.130 0.000 1.009 67 R HN 0.623 nan 8.270 nan 0.000 0.512 68 H N -0.082 119.064 119.070 0.127 0.000 2.589 68 H HA 0.559 5.115 4.556 0.000 0.000 0.351 68 H C -1.656 173.714 175.328 0.070 0.000 1.074 68 H CA -0.559 55.543 56.048 0.090 0.000 1.203 68 H CB 1.751 31.556 29.762 0.072 0.000 1.558 68 H HN 0.122 nan 8.280 nan 0.000 0.522 69 A N 4.877 127.514 122.820 -0.304 0.000 2.402 69 A HA 0.468 4.788 4.320 0.000 0.000 0.291 69 A C -1.331 176.078 177.584 -0.293 0.000 1.051 69 A CA -0.732 51.188 52.037 -0.196 0.000 0.716 69 A CB 1.369 20.338 19.000 -0.051 0.000 1.223 69 A HN 0.741 nan 8.150 nan 0.000 0.425 70 Q N 3.029 122.710 119.800 -0.199 0.000 2.347 70 Q HA 0.687 5.027 4.340 0.000 0.000 0.271 70 Q C -1.773 174.201 176.000 -0.043 0.000 1.064 70 Q CA -0.685 55.038 55.803 -0.134 0.000 0.800 70 Q CB 1.476 30.141 28.738 -0.120 0.000 1.304 70 Q HN 0.697 nan 8.270 nan 0.000 0.438 71 L N 4.032 125.242 121.223 -0.021 0.000 2.410 71 L HA 0.197 4.537 4.340 0.000 0.000 0.273 71 L C 1.213 178.053 176.870 -0.051 0.000 1.152 71 L CA 0.012 54.861 54.840 0.014 0.000 0.855 71 L CB 0.639 42.717 42.059 0.031 0.000 1.129 71 L HN 0.829 nan 8.230 nan 0.000 0.463 72 K N 1.657 122.006 120.400 -0.086 0.000 2.141 72 K HA 0.130 4.450 4.320 0.000 0.000 0.202 72 K C -0.120 176.233 176.600 -0.412 0.000 1.045 72 K CA 0.521 56.648 56.287 -0.266 0.000 0.971 72 K CB 0.373 32.690 32.500 -0.306 0.000 0.795 72 K HN 0.645 nan 8.250 nan 0.000 0.459 73 H N -1.250 117.794 119.070 -0.043 0.000 2.930 73 H HA 0.473 5.029 4.556 0.000 0.000 0.371 73 H C -1.800 173.478 175.328 -0.084 0.000 1.169 73 H CA -0.968 55.034 56.048 -0.077 0.000 1.157 73 H CB 2.330 32.037 29.762 -0.091 0.000 1.789 73 H HN -0.026 nan 8.280 nan 0.000 0.547 74 L N 2.693 123.930 121.223 0.024 0.000 2.565 74 L HA 0.445 4.785 4.340 0.000 0.000 0.261 74 L C -1.767 175.060 176.870 -0.072 0.000 0.932 74 L CA -0.380 54.441 54.840 -0.032 0.000 0.878 74 L CB 1.592 43.594 42.059 -0.096 0.000 1.333 74 L HN 0.833 nan 8.230 nan 0.000 0.409 75 K N 3.929 124.372 120.400 0.071 0.000 2.556 75 K HA 0.968 5.288 4.320 0.000 0.000 0.274 75 K C -1.890 174.931 176.600 0.368 0.000 0.966 75 K CA -0.636 55.767 56.287 0.193 0.000 0.865 75 K CB 1.886 34.435 32.500 0.081 0.000 1.444 75 K HN 0.724 nan 8.250 nan 0.000 0.433 76 A N 1.119 124.203 122.820 0.440 0.000 2.324 76 A HA 0.695 5.015 4.320 0.000 0.000 0.330 76 A C -0.911 176.729 177.584 0.093 0.000 1.165 76 A CA -0.592 51.605 52.037 0.267 0.000 0.813 76 A CB 1.528 20.628 19.000 0.167 0.000 1.197 76 A HN 0.633 nan 8.150 nan 0.000 0.484 77 T N 1.998 116.560 114.554 0.012 0.000 2.893 77 T HA 0.543 4.893 4.350 0.000 0.000 0.293 77 T C -0.589 173.959 174.700 -0.253 0.000 1.027 77 T CA -0.069 61.927 62.100 -0.173 0.000 0.988 77 T CB 0.953 69.650 68.868 -0.286 0.000 1.043 77 T HN 0.452 nan 8.240 nan 0.000 0.461 78 I N 3.620 123.991 120.570 -0.332 0.000 2.330 78 I HA 0.300 4.470 4.170 0.000 0.000 0.289 78 I C -0.017 175.932 176.117 -0.279 0.000 1.001 78 I CA -0.730 60.436 61.300 -0.223 0.000 1.193 78 I CB 0.760 38.639 38.000 -0.202 0.000 1.345 78 I HN 0.560 nan 8.210 nan 0.000 0.461 79 H N 6.587 125.667 119.070 0.016 0.000 2.673 79 H HA 0.303 4.859 4.556 0.000 0.000 0.293 79 H C -2.464 172.902 175.328 0.063 0.000 1.065 79 H CA -2.170 53.906 56.048 0.046 0.000 1.236 79 H CB 0.853 30.673 29.762 0.097 0.000 1.389 79 H HN 0.217 nan 8.280 nan 0.000 0.481 80 P HA -0.064 nan 4.420 nan 0.000 0.266 80 P C 0.592 177.970 177.300 0.131 0.000 1.195 80 P CA 0.292 63.437 63.100 0.075 0.000 0.768 80 P CB 0.838 32.562 31.700 0.039 0.000 0.838 81 T N -0.764 113.861 114.554 0.118 0.000 2.870 81 T HA 0.296 4.646 4.350 0.000 0.000 0.277 81 T C 1.011 175.850 174.700 0.232 0.000 1.000 81 T CA -0.480 61.750 62.100 0.217 0.000 0.982 81 T CB 0.263 69.290 68.868 0.265 0.000 1.249 81 T HN 0.492 nan 8.240 nan 0.000 0.589 82 Y N -0.496 119.833 120.300 0.048 0.000 2.651 82 Y HA 0.158 4.708 4.550 0.000 0.000 0.296 82 Y C 1.735 177.669 175.900 0.058 0.000 1.150 82 Y CA 0.147 58.274 58.100 0.046 0.000 1.348 82 Y CB -0.511 37.975 38.460 0.043 0.000 0.983 82 Y HN 0.192 nan 8.280 nan 0.000 0.555 83 M N 0.384 119.818 119.600 -0.277 0.000 2.382 83 M HA 0.262 4.742 4.480 0.000 0.000 0.247 83 M C 2.180 178.484 176.300 0.007 0.000 1.104 83 M CA 0.624 55.769 55.300 -0.258 0.000 1.030 83 M CB -0.191 32.154 32.600 -0.427 0.000 1.424 83 M HN 0.519 nan 8.290 nan 0.000 0.486 84 A N 1.711 124.534 122.820 0.006 0.000 1.902 84 A HA -0.054 4.266 4.320 0.000 0.000 0.217 84 A C -0.455 177.148 177.584 0.032 0.000 1.181 84 A CA 1.312 53.367 52.037 0.031 0.000 0.623 84 A CB -1.830 17.183 19.000 0.023 0.000 0.818 84 A HN 0.262 nan 8.150 nan 0.000 0.443 85 P HA -0.187 nan 4.420 nan 0.000 0.216 85 P C 1.429 178.700 177.300 -0.050 0.000 1.153 85 P CA 1.879 64.977 63.100 -0.003 0.000 0.858 85 P CB 0.007 31.711 31.700 0.006 0.000 0.789 86 K N -2.374 117.977 120.400 -0.082 0.000 2.356 86 K HA 0.015 4.335 4.320 0.000 0.000 0.195 86 K C -0.189 176.101 176.600 -0.517 0.000 1.037 86 K CA 0.314 56.423 56.287 -0.296 0.000 1.014 86 K CB 0.292 32.571 32.500 -0.368 0.000 0.815 86 K HN 0.099 nan 8.250 nan 0.000 0.507 87 Y N 1.302 121.566 120.300 -0.061 0.000 2.748 87 Y HA 0.325 4.875 4.550 0.000 0.000 0.359 87 Y C -2.517 173.354 175.900 -0.048 0.000 1.030 87 Y CA -3.021 55.044 58.100 -0.058 0.000 1.169 87 Y CB 0.897 39.309 38.460 -0.080 0.000 1.127 87 Y HN 0.001 nan 8.280 nan 0.000 0.644 88 P HA 0.029 nan 4.420 nan 0.000 0.264 88 P C -0.180 177.148 177.300 0.047 0.000 1.183 88 P CA 0.625 63.748 63.100 0.038 0.000 0.763 88 P CB 0.796 32.510 31.700 0.023 0.000 0.807 89 T N 1.711 116.284 114.554 0.030 0.000 2.893 89 T HA 0.391 4.741 4.350 0.000 0.000 0.293 89 T C -0.327 174.375 174.700 0.002 0.000 1.027 89 T CA -0.499 61.604 62.100 0.006 0.000 0.988 89 T CB 1.203 70.057 68.868 -0.023 0.000 1.043 89 T HN 0.044 nan 8.240 nan 0.000 0.461 90 S N 1.539 117.226 115.700 -0.021 0.000 2.508 90 S HA 0.687 5.157 4.470 0.000 0.000 0.284 90 S C -0.549 173.946 174.600 -0.175 0.000 1.192 90 S CA -0.605 57.553 58.200 -0.069 0.000 1.070 90 S CB 0.722 63.937 63.200 0.026 0.000 1.004 90 S HN 0.492 nan 8.310 nan 0.000 0.493 91 V N 2.581 122.369 119.914 -0.209 0.000 2.577 91 V HA 0.801 4.921 4.120 0.000 0.000 0.303 91 V C -0.262 175.741 176.094 -0.152 0.000 1.042 91 V CA -0.710 61.525 62.300 -0.108 0.000 0.872 91 V CB 1.497 33.331 31.823 0.017 0.000 0.998 91 V HN 0.938 nan 8.190 nan 0.000 0.423 92 A N 5.531 128.309 122.820 -0.070 0.000 2.365 92 A HA 1.064 5.384 4.320 0.000 0.000 0.318 92 A C -1.107 176.515 177.584 0.063 0.000 1.091 92 A CA -0.536 51.469 52.037 -0.054 0.000 0.763 92 A CB 1.727 20.765 19.000 0.063 0.000 1.248 92 A HN 1.445 nan 8.150 nan 0.000 0.442 93 L N -0.290 120.943 121.223 0.015 0.000 2.671 93 L HA 0.966 5.306 4.340 0.000 0.000 0.259 93 L C -1.078 175.769 176.870 -0.039 0.000 1.021 93 L CA -0.900 53.947 54.840 0.012 0.000 0.871 93 L CB 1.414 43.482 42.059 0.016 0.000 1.472 93 L HN 1.159 nan 8.230 nan 0.000 0.410 94 V N 0.037 119.895 119.914 -0.093 0.000 3.098 94 V HA 0.609 4.729 4.120 0.000 0.000 0.294 94 V C -1.937 174.116 176.094 -0.069 0.000 1.351 94 V CA -0.381 61.897 62.300 -0.037 0.000 0.999 94 V CB 2.311 34.145 31.823 0.019 0.000 1.104 94 V HN 0.834 nan 8.190 nan 0.000 0.438 95 W N 5.097 126.444 121.300 0.078 0.000 2.433 95 W HA 0.732 5.393 4.660 0.000 0.000 0.315 95 W C -0.115 176.446 176.519 0.071 0.000 1.087 95 W CA -0.405 56.989 57.345 0.080 0.000 1.205 95 W CB 1.888 31.395 29.460 0.079 0.000 1.288 95 W HN 0.658 nan 8.180 nan 0.000 0.504 96 V N 1.473 121.580 119.914 0.321 0.000 3.114 96 V HA 0.695 4.815 4.120 0.000 0.000 0.308 96 V C -2.820 173.384 176.094 0.183 0.000 1.168 96 V CA -3.518 58.906 62.300 0.205 0.000 1.015 96 V CB 1.739 33.644 31.823 0.136 0.000 1.050 96 V HN 0.238 nan 8.190 nan 0.000 0.433 97 P HA 0.305 nan 4.420 nan 0.000 0.269 97 P C 0.715 178.076 177.300 0.102 0.000 1.215 97 P CA 0.486 63.650 63.100 0.105 0.000 0.780 97 P CB 0.966 32.712 31.700 0.076 0.000 0.898 98 A N 3.073 125.953 122.820 0.100 0.000 2.024 98 A HA -0.202 4.118 4.320 0.000 0.000 0.220 98 A C 1.446 179.071 177.584 0.069 0.000 1.164 98 A CA 1.693 53.783 52.037 0.089 0.000 0.643 98 A CB -1.221 17.833 19.000 0.090 0.000 0.806 98 A HN 0.694 nan 8.150 nan 0.000 0.451 99 N N -0.021 118.717 118.700 0.064 0.000 2.398 99 N HA 0.018 4.758 4.740 0.000 0.000 0.188 99 N C 0.498 176.035 175.510 0.044 0.000 1.122 99 N CA 0.714 53.795 53.050 0.051 0.000 0.866 99 N CB -0.630 37.887 38.487 0.050 0.000 0.970 99 N HN 0.262 nan 8.380 nan 0.000 0.462 100 S N 0.326 116.056 115.700 0.050 0.000 2.576 100 S HA 0.168 4.638 4.470 0.000 0.000 0.276 100 S C 1.044 175.664 174.600 0.033 0.000 1.339 100 S CA -0.140 58.086 58.200 0.044 0.000 1.039 100 S CB 0.517 63.750 63.200 0.056 0.000 0.902 100 S HN 0.445 nan 8.310 nan 0.000 0.516 101 T N 1.589 116.157 114.554 0.024 0.000 3.145 101 T HA 0.503 4.853 4.350 0.000 0.000 0.255 101 T C 0.537 175.241 174.700 0.007 0.000 1.039 101 T CA 0.041 62.150 62.100 0.014 0.000 0.928 101 T CB -0.212 68.662 68.868 0.010 0.000 1.029 101 T HN 0.809 nan 8.240 nan 0.000 0.554 102 A N 2.420 125.246 122.820 0.011 0.000 2.462 102 A HA 0.535 4.855 4.320 0.000 0.000 0.243 102 A C 0.902 178.478 177.584 -0.013 0.000 1.076 102 A CA -0.210 51.827 52.037 -0.000 0.000 0.773 102 A CB -0.025 18.981 19.000 0.011 0.000 1.010 102 A HN 0.636 nan 8.150 nan 0.000 0.493 103 T N -1.028 113.507 114.554 -0.032 0.000 2.952 103 T HA 0.459 4.809 4.350 0.000 0.000 0.286 103 T C 1.229 175.886 174.700 -0.071 0.000 1.024 103 T CA 0.009 62.081 62.100 -0.048 0.000 1.029 103 T CB 1.143 69.981 68.868 -0.050 0.000 1.094 103 T HN 1.066 nan 8.240 nan 0.000 0.515 104 S N 0.317 115.967 115.700 -0.083 0.000 2.420 104 S HA -0.166 4.304 4.470 0.000 0.000 0.237 104 S C 1.833 176.342 174.600 -0.151 0.000 1.023 104 S CA 1.470 59.614 58.200 -0.093 0.000 0.991 104 S CB -1.471 61.663 63.200 -0.111 0.000 0.792 104 S HN 1.035 nan 8.310 nan 0.000 0.488 105 T N -0.673 113.763 114.554 -0.197 0.000 3.148 105 T HA 0.170 4.520 4.350 0.000 0.000 0.253 105 T C 0.905 175.425 174.700 -0.300 0.000 1.134 105 T CA -0.048 61.821 62.100 -0.385 0.000 1.051 105 T CB -0.334 68.363 68.868 -0.285 0.000 0.959 105 T HN 0.608 nan 8.240 nan 0.000 0.525 106 Q N 0.453 120.147 119.800 -0.176 0.000 2.165 106 Q HA 0.350 4.690 4.340 0.000 0.000 0.245 106 Q C 1.203 177.153 176.000 -0.082 0.000 0.841 106 Q CA -0.283 55.450 55.803 -0.118 0.000 1.078 106 Q CB 0.588 29.282 28.738 -0.073 0.000 1.169 106 Q HN 0.283 nan 8.270 nan 0.000 0.475 107 V N 0.638 120.496 119.914 -0.093 0.000 2.287 107 V HA -0.272 3.848 4.120 0.000 0.000 0.248 107 V C 1.871 177.944 176.094 -0.034 0.000 1.053 107 V CA 1.726 63.999 62.300 -0.044 0.000 1.027 107 V CB -0.241 31.569 31.823 -0.022 0.000 0.646 107 V HN 0.532 nan 8.190 nan 0.000 0.447 108 L N -0.139 121.060 121.223 -0.040 0.000 2.622 108 L HA -0.037 4.303 4.340 0.000 0.000 0.233 108 L C 1.210 178.061 176.870 -0.032 0.000 1.156 108 L CA 0.739 55.556 54.840 -0.037 0.000 0.866 108 L CB -0.355 41.678 42.059 -0.043 0.000 0.980 108 L HN 0.395 nan 8.230 nan 0.000 0.448 109 D N -0.836 119.546 120.400 -0.029 0.000 2.402 109 D HA 0.104 4.744 4.640 0.000 0.000 0.216 109 D C 0.212 176.521 176.300 0.015 0.000 1.128 109 D CA 0.298 54.291 54.000 -0.012 0.000 0.833 109 D CB 0.802 41.588 40.800 -0.024 0.000 0.971 109 D HN 0.083 nan 8.370 nan 0.000 0.503 110 T N 0.413 114.980 114.554 0.022 0.000 2.807 110 T HA 0.130 4.480 4.350 0.000 0.000 0.279 110 T C -0.384 174.373 174.700 0.094 0.000 0.993 110 T CA -0.550 61.587 62.100 0.061 0.000 0.970 110 T CB 1.617 70.513 68.868 0.046 0.000 0.950 110 T HN -0.025 nan 8.240 nan 0.000 0.441 111 Y N 2.453 122.762 120.300 0.014 0.000 2.729 111 Y HA 0.298 4.848 4.550 0.000 0.000 0.331 111 Y C 1.340 177.260 175.900 0.033 0.000 1.208 111 Y CA 1.591 59.703 58.100 0.019 0.000 1.521 111 Y CB -0.264 38.209 38.460 0.021 0.000 1.233 111 Y HN 0.999 nan 8.280 nan 0.000 0.539 112 G N 3.173 111.726 108.800 -0.412 0.000 2.194 112 G HA2 -0.242 3.718 3.960 0.000 0.000 0.236 112 G HA3 -0.242 3.718 3.960 0.000 0.000 0.236 112 G C 0.564 175.396 174.900 -0.114 0.000 0.987 112 G CA -0.147 44.772 45.100 -0.301 0.000 0.635 112 G HN 1.285 nan 8.290 nan 0.000 0.520 113 G N 0.145 108.899 108.800 -0.076 0.000 2.353 113 G HA2 0.508 4.468 3.960 0.000 0.000 0.239 113 G HA3 0.508 4.468 3.960 0.000 0.000 0.239 113 G C 0.083 174.922 174.900 -0.102 0.000 1.295 113 G CA 0.211 45.278 45.100 -0.055 0.000 0.884 113 G HN 0.873 nan 8.290 nan 0.000 0.537 114 L N 1.155 122.292 121.223 -0.143 0.000 2.342 114 L HA 0.502 4.842 4.340 0.000 0.000 0.271 114 L C -0.288 176.321 176.870 -0.435 0.000 1.008 114 L CA -1.074 53.562 54.840 -0.339 0.000 0.818 114 L CB 2.469 44.253 42.059 -0.458 0.000 1.296 114 L HN 0.713 nan 8.230 nan 0.000 0.427 115 H N 1.664 120.356 119.070 -0.629 0.000 2.658 115 H HA 0.629 5.185 4.556 0.000 0.000 0.337 115 H C -1.585 173.417 175.328 -0.542 0.000 1.009 115 H CA -0.411 55.377 56.048 -0.433 0.000 1.231 115 H CB 1.096 30.753 29.762 -0.175 0.000 1.508 115 H HN 0.356 nan 8.280 nan 0.000 0.517 116 F N 2.913 122.807 119.950 -0.093 0.000 2.538 116 F HA 0.367 4.894 4.527 -0.000 0.000 0.325 116 F C -0.219 175.580 175.800 -0.001 0.000 1.066 116 F CA -1.077 56.928 58.000 0.008 0.000 0.946 116 F CB 1.453 40.433 39.000 -0.034 0.000 1.199 116 F HN 0.478 nan 8.300 nan 0.000 0.473 117 C N 5.410 124.873 119.300 0.272 0.000 2.251 117 C HA 0.648 5.108 4.460 0.000 0.000 0.323 117 C C -0.505 174.551 174.990 0.111 0.000 1.241 117 C CA -0.674 58.444 59.018 0.166 0.000 1.601 117 C CB -1.454 26.374 27.740 0.146 0.000 2.251 117 C HN 0.519 nan 8.230 nan 0.000 0.488 118 I N 6.812 127.422 120.570 0.067 0.000 2.321 118 I HA 0.606 4.776 4.170 0.000 0.000 0.291 118 I C 0.995 177.127 176.117 0.024 0.000 0.998 118 I CA 0.915 62.231 61.300 0.028 0.000 1.227 118 I CB 0.213 38.214 38.000 0.001 0.000 1.368 118 I HN 1.136 nan 8.210 nan 0.000 0.466 119 G N 4.391 113.203 108.800 0.019 0.000 2.757 119 G HA2 0.227 4.187 3.960 0.000 0.000 0.638 119 G HA3 0.227 4.187 3.960 0.000 0.000 0.638 119 G C 0.541 175.448 174.900 0.011 0.000 1.344 119 G CA -0.184 44.925 45.100 0.016 0.000 0.855 119 G HN 1.452 nan 8.290 nan 0.000 0.537 120 G N -1.418 107.380 108.800 -0.004 0.000 2.609 120 G HA2 -0.087 3.873 3.960 0.000 0.000 0.235 120 G HA3 -0.087 3.873 3.960 0.000 0.000 0.235 120 G C 0.973 175.867 174.900 -0.010 0.000 1.177 120 G CA 1.708 46.798 45.100 -0.016 0.000 0.707 120 G HN 2.134 nan 8.290 nan 0.000 0.513 121 S N -0.799 114.903 115.700 0.002 0.000 2.664 121 S HA 0.661 5.131 4.470 0.000 0.000 0.304 121 S C 0.291 174.895 174.600 0.007 0.000 1.099 121 S CA 0.063 58.266 58.200 0.005 0.000 1.003 121 S CB 2.186 65.394 63.200 0.012 0.000 1.092 121 S HN 1.070 nan 8.310 nan 0.000 0.525 122 V N 3.659 123.576 119.914 0.006 0.000 2.814 122 V HA 0.024 4.144 4.120 0.000 0.000 0.307 122 V C 0.807 176.906 176.094 0.008 0.000 1.089 122 V CA 0.930 63.234 62.300 0.006 0.000 1.212 122 V CB -0.044 31.782 31.823 0.005 0.000 0.912 122 V HN 1.029 nan 8.190 nan 0.000 0.497 123 N N 2.352 121.056 118.700 0.006 0.000 2.815 123 N HA -0.175 4.565 4.740 0.000 0.000 0.247 123 N C 1.043 176.555 175.510 0.003 0.000 1.030 123 N CA 1.473 54.525 53.050 0.004 0.000 0.881 123 N CB -1.093 37.397 38.487 0.005 0.000 1.134 123 N HN 1.008 nan 8.380 nan 0.000 0.582 124 S N -1.129 114.575 115.700 0.007 0.000 2.679 124 S HA 0.298 4.768 4.470 0.000 0.000 0.233 124 S C 1.261 175.861 174.600 -0.001 0.000 0.951 124 S CA 0.248 58.452 58.200 0.006 0.000 0.973 124 S CB -0.038 63.174 63.200 0.020 0.000 0.778 124 S HN 0.245 nan 8.310 nan 0.000 0.477 125 V N -3.255 116.658 119.914 -0.001 0.000 3.380 125 V HA 0.440 4.560 4.120 0.000 0.000 0.307 125 V C 0.206 176.298 176.094 -0.004 0.000 1.434 125 V CA -0.677 61.625 62.300 0.004 0.000 1.075 125 V CB -0.716 31.119 31.823 0.021 0.000 0.954 125 V HN 0.191 nan 8.190 nan 0.000 0.444 126 K N 2.574 122.961 120.400 -0.022 0.000 2.270 126 K HA 0.414 4.734 4.320 0.000 0.000 0.276 126 K C -2.349 174.209 176.600 -0.069 0.000 1.023 126 K CA -1.598 54.669 56.287 -0.034 0.000 0.955 126 K CB 0.772 33.249 32.500 -0.038 0.000 0.975 126 K HN 0.241 nan 8.250 nan 0.000 0.471 127 P HA 0.136 nan 4.420 nan 0.000 0.272 127 P C -0.664 176.518 177.300 -0.197 0.000 1.230 127 P CA 0.067 63.079 63.100 -0.147 0.000 0.788 127 P CB 0.592 32.199 31.700 -0.154 0.000 0.949 128 I N 1.301 121.703 120.570 -0.280 0.000 2.465 128 I HA 0.311 4.481 4.170 0.000 0.000 0.291 128 I C -0.174 175.788 176.117 -0.258 0.000 1.014 128 I CA -0.636 60.478 61.300 -0.310 0.000 1.093 128 I CB 1.868 39.541 38.000 -0.544 0.000 1.267 128 I HN 0.089 nan 8.210 nan 0.000 0.431 129 D N 4.942 125.244 120.400 -0.164 0.000 2.185 129 D HA 0.517 5.157 4.640 0.000 0.000 0.247 129 D C -0.812 175.487 176.300 -0.002 0.000 1.027 129 D CA -0.098 53.853 54.000 -0.081 0.000 0.861 129 D CB 2.627 43.394 40.800 -0.056 0.000 1.202 129 D HN 0.048 nan 8.370 nan 0.000 0.453 130 V N 2.602 122.573 119.914 0.095 0.000 2.385 130 V HA 0.181 4.301 4.120 0.000 0.000 0.277 130 V C 0.175 176.451 176.094 0.303 0.000 1.012 130 V CA -0.782 61.646 62.300 0.213 0.000 0.832 130 V CB 1.327 33.322 31.823 0.288 0.000 1.028 130 V HN 0.407 nan 8.190 nan 0.000 0.436 131 E N 2.574 122.871 120.200 0.161 0.000 2.383 131 E HA 0.566 4.916 4.350 0.000 0.000 0.264 131 E C 0.285 176.846 176.600 -0.065 0.000 1.050 131 E CA -0.146 56.288 56.400 0.058 0.000 0.896 131 E CB 1.265 30.963 29.700 -0.004 0.000 0.982 131 E HN 0.835 nan 8.360 nan 0.000 0.424 132 A N 3.850 126.413 122.820 -0.429 0.000 2.328 132 A HA 0.146 4.466 4.320 0.000 0.000 0.284 132 A C -0.065 177.291 177.584 -0.380 0.000 1.160 132 A CA -0.542 50.956 52.037 -0.899 0.000 0.818 132 A CB 0.463 18.500 19.000 -1.606 0.000 1.087 132 A HN 0.583 nan 8.150 nan 0.000 0.504 133 N N 2.935 121.499 118.700 -0.225 0.000 2.415 133 N HA 0.125 4.865 4.740 0.000 0.000 0.250 133 N C 0.311 175.755 175.510 -0.109 0.000 1.127 133 N CA -0.064 52.923 53.050 -0.105 0.000 0.945 133 N CB 0.371 38.841 38.487 -0.028 0.000 1.196 133 N HN 0.643 nan 8.380 nan 0.000 0.499 134 L N 2.394 123.554 121.223 -0.105 0.000 2.675 134 L HA -0.001 4.339 4.340 0.000 0.000 0.239 134 L C 1.662 178.495 176.870 -0.061 0.000 1.151 134 L CA 0.507 55.291 54.840 -0.093 0.000 0.905 134 L CB -0.444 41.560 42.059 -0.091 0.000 1.057 134 L HN 0.553 nan 8.230 nan 0.000 0.435 135 T N -6.285 108.243 114.554 -0.043 0.000 3.023 135 T HA 0.087 4.437 4.350 0.000 0.000 0.253 135 T C 1.218 175.905 174.700 -0.022 0.000 1.038 135 T CA -0.073 62.008 62.100 -0.031 0.000 0.962 135 T CB 0.024 68.882 68.868 -0.018 0.000 1.018 135 T HN 0.296 nan 8.240 nan 0.000 0.521 136 N N 0.149 118.838 118.700 -0.018 0.000 2.227 136 N HA 0.358 5.098 4.740 0.000 0.000 0.196 136 N C -0.590 174.920 175.510 -0.001 0.000 1.142 136 N CA -0.028 53.024 53.050 0.003 0.000 0.887 136 N CB 0.679 39.184 38.487 0.030 0.000 1.022 136 N HN 0.308 nan 8.380 nan 0.000 0.500 137 L N 0.565 121.773 121.223 -0.025 0.000 2.370 137 L HA 0.340 4.680 4.340 0.000 0.000 0.266 137 L C -0.433 176.407 176.870 -0.050 0.000 1.002 137 L CA -1.025 53.802 54.840 -0.021 0.000 0.818 137 L CB 1.814 43.859 42.059 -0.024 0.000 1.325 137 L HN -0.065 nan 8.230 nan 0.000 0.418 138 N N 3.732 122.400 118.700 -0.053 0.000 2.431 138 N HA 0.118 4.858 4.740 0.000 0.000 0.265 138 N C -1.751 173.712 175.510 -0.077 0.000 1.184 138 N CA -1.573 51.414 53.050 -0.105 0.000 0.943 138 N CB 1.135 39.530 38.487 -0.154 0.000 1.080 138 N HN 0.342 nan 8.380 nan 0.000 0.477 139 P HA 0.034 nan 4.420 nan 0.000 0.236 139 P C 0.085 177.354 177.300 -0.051 0.000 1.177 139 P CA 0.345 63.408 63.100 -0.061 0.000 0.773 139 P CB 0.354 32.014 31.700 -0.067 0.000 0.878 140 I N 2.666 123.198 120.570 -0.063 0.000 2.329 140 I HA 0.048 4.218 4.170 0.000 0.000 0.295 140 I C 1.874 178.042 176.117 0.084 0.000 1.109 140 I CA -0.303 60.986 61.300 -0.019 0.000 1.297 140 I CB -0.107 37.918 38.000 0.043 0.000 1.433 140 I HN -0.003 nan 8.210 nan 0.000 0.509 141 I N 2.392 122.975 120.570 0.023 0.000 3.883 141 I HA 0.283 4.453 4.170 0.000 0.000 0.326 141 I C 0.528 176.671 176.117 0.043 0.000 1.283 141 I CA 0.039 61.373 61.300 0.057 0.000 1.161 141 I CB 0.095 38.112 38.000 0.030 0.000 1.012 141 I HN 0.438 nan 8.210 nan 0.000 0.421 142 K N 1.658 122.064 120.400 0.010 0.000 2.565 142 K HA 0.778 5.098 4.320 0.000 0.000 0.251 142 K C -1.357 175.253 176.600 0.017 0.000 0.956 142 K CA -0.259 56.033 56.287 0.008 0.000 0.809 142 K CB 2.269 34.777 32.500 0.013 0.000 1.267 142 K HN 0.258 nan 8.250 nan 0.000 0.438 143 A N 1.445 124.291 122.820 0.043 0.000 2.588 143 A HA 0.408 4.728 4.320 0.000 0.000 0.309 143 A C 0.065 177.662 177.584 0.021 0.000 1.173 143 A CA -0.500 51.608 52.037 0.118 0.000 0.631 143 A CB 0.639 19.782 19.000 0.239 0.000 1.364 143 A HN 0.501 nan 8.150 nan 0.000 0.526 144 S N -0.557 115.162 115.700 0.032 0.000 2.469 144 S HA 0.098 4.568 4.470 0.000 0.000 0.238 144 S C 0.806 175.351 174.600 -0.092 0.000 0.998 144 S CA 1.841 60.033 58.200 -0.013 0.000 0.957 144 S CB -0.232 62.976 63.200 0.013 0.000 0.764 144 S HN 1.030 nan 8.310 nan 0.000 0.514 145 T N 0.154 114.579 114.554 -0.216 0.000 2.841 145 T HA 0.390 4.740 4.350 0.000 0.000 0.296 145 T C -1.040 173.343 174.700 -0.528 0.000 1.166 145 T CA -0.586 61.324 62.100 -0.317 0.000 1.007 145 T CB 1.778 70.465 68.868 -0.302 0.000 1.253 145 T HN -0.090 nan 8.240 nan 0.000 0.511 146 T N 2.731 117.043 114.554 -0.403 0.000 2.856 146 T HA 0.569 4.919 4.350 0.000 0.000 0.292 146 T C -0.731 173.721 174.700 -0.414 0.000 0.980 146 T CA 0.004 61.898 62.100 -0.344 0.000 1.091 146 T CB -0.083 68.699 68.868 -0.143 0.000 0.936 146 T HN 0.360 nan 8.240 nan 0.000 0.503 147 F N 1.131 121.091 119.950 0.016 0.000 2.432 147 F HA 0.361 4.888 4.527 0.000 0.000 0.329 147 F C 1.870 177.681 175.800 0.019 0.000 1.076 147 F CA -0.988 57.022 58.000 0.017 0.000 1.018 147 F CB 1.677 40.687 39.000 0.016 0.000 1.201 147 F HN 0.613 nan 8.300 nan 0.000 0.489 148 T N -4.123 110.576 114.554 0.242 0.000 3.040 148 T HA 0.025 4.375 4.350 0.000 0.000 0.250 148 T C 0.207 174.975 174.700 0.114 0.000 1.058 148 T CA 0.017 62.198 62.100 0.136 0.000 0.988 148 T CB -0.273 68.655 68.868 0.100 0.000 0.993 148 T HN 0.542 nan 8.240 nan 0.000 0.519 149 D N 2.136 122.606 120.400 0.117 0.000 2.755 149 D HA 0.140 4.780 4.640 0.000 0.000 0.257 149 D C 0.464 176.801 176.300 0.063 0.000 1.291 149 D CA -0.423 53.621 54.000 0.072 0.000 0.836 149 D CB -0.461 40.363 40.800 0.039 0.000 1.059 149 D HN 0.428 nan 8.370 nan 0.000 0.486 150 T N -2.733 111.875 114.554 0.090 0.000 2.816 150 T HA 0.442 4.792 4.350 0.000 0.000 0.282 150 T C -2.579 172.183 174.700 0.102 0.000 0.993 150 T CA -1.819 60.330 62.100 0.081 0.000 0.994 150 T CB 0.887 69.815 68.868 0.101 0.000 1.025 150 T HN -0.175 nan 8.240 nan 0.000 0.529 151 P HA 0.246 nan 4.420 nan 0.000 0.264 151 P C -0.748 176.724 177.300 0.287 0.000 1.193 151 P CA -0.040 63.176 63.100 0.193 0.000 0.763 151 P CB 0.243 32.016 31.700 0.122 0.000 0.810 152 K N 3.413 124.020 120.400 0.345 0.000 2.443 152 K HA 0.531 4.851 4.320 0.000 0.000 0.252 152 K C -1.640 175.118 176.600 0.263 0.000 0.933 152 K CA -0.965 55.480 56.287 0.262 0.000 0.792 152 K CB 1.018 33.612 32.500 0.156 0.000 1.185 152 K HN 0.235 nan 8.250 nan 0.000 0.425 153 L N 5.812 127.087 121.223 0.086 0.000 2.282 153 L HA 0.484 4.824 4.340 0.000 0.000 0.288 153 L C -1.621 175.189 176.870 -0.100 0.000 1.033 153 L CA -0.357 54.331 54.840 -0.253 0.000 0.807 153 L CB 1.042 42.737 42.059 -0.606 0.000 1.209 153 L HN 0.645 nan 8.230 nan 0.000 0.423 154 L N 6.439 127.598 121.223 -0.106 0.000 2.307 154 L HA 0.530 4.870 4.340 0.000 0.000 0.284 154 L C -1.115 175.761 176.870 0.011 0.000 1.023 154 L CA -0.853 53.952 54.840 -0.058 0.000 0.810 154 L CB 1.258 43.291 42.059 -0.044 0.000 1.231 154 L HN 0.699 nan 8.230 nan 0.000 0.423 155 Y N 2.296 122.572 120.300 -0.039 0.000 2.534 155 Y HA 0.687 5.237 4.550 0.000 0.000 0.345 155 Y C -1.625 174.333 175.900 0.096 0.000 1.031 155 Y CA -1.491 56.606 58.100 -0.005 0.000 1.022 155 Y CB 1.325 39.758 38.460 -0.045 0.000 1.292 155 Y HN 0.449 nan 8.280 nan 0.000 0.459 156 Y N 1.652 122.017 120.300 0.110 0.000 2.492 156 Y HA 0.727 5.277 4.550 0.000 0.000 0.346 156 Y C -1.403 174.543 175.900 0.077 0.000 0.997 156 Y CA -0.910 57.214 58.100 0.039 0.000 1.025 156 Y CB 2.390 40.848 38.460 -0.003 0.000 1.263 156 Y HN 0.927 nan 8.280 nan 0.000 0.454 157 S N 5.594 121.001 115.700 -0.488 0.000 2.548 157 S HA 0.573 5.043 4.470 0.000 0.000 0.276 157 S C -1.929 172.331 174.600 -0.565 0.000 1.129 157 S CA -0.830 57.125 58.200 -0.408 0.000 0.931 157 S CB 0.927 64.046 63.200 -0.135 0.000 1.068 157 S HN 0.606 nan 8.310 nan 0.000 0.480 158 K N 2.444 122.603 120.400 -0.402 0.000 2.323 158 K HA 0.715 5.035 4.320 0.000 0.000 0.259 158 K C -0.514 176.014 176.600 -0.120 0.000 0.947 158 K CA -0.535 55.599 56.287 -0.256 0.000 0.819 158 K CB 1.797 34.213 32.500 -0.140 0.000 1.109 158 K HN 0.704 nan 8.250 nan 0.000 0.429 159 A N 2.703 125.470 122.820 -0.088 0.000 2.299 159 A HA 0.392 4.712 4.320 0.000 0.000 0.332 159 A C -0.226 177.351 177.584 -0.012 0.000 1.131 159 A CA -0.656 51.351 52.037 -0.050 0.000 0.844 159 A CB 0.702 19.662 19.000 -0.067 0.000 1.251 159 A HN 0.582 nan 8.150 nan 0.000 0.486 160 Q N 0.073 119.885 119.800 0.021 0.000 2.386 160 Q HA 0.157 4.497 4.340 0.000 0.000 0.282 160 Q C 1.465 177.485 176.000 0.032 0.000 1.050 160 Q CA 0.642 56.477 55.803 0.053 0.000 0.918 160 Q CB 0.782 29.602 28.738 0.137 0.000 1.266 160 Q HN 0.845 nan 8.270 nan 0.000 0.423 161 A N 2.808 125.647 122.820 0.032 0.000 1.908 161 A HA -0.104 4.216 4.320 0.000 0.000 0.218 161 A C 0.958 178.555 177.584 0.022 0.000 1.181 161 A CA 1.497 53.547 52.037 0.020 0.000 0.627 161 A CB -0.010 19.002 19.000 0.020 0.000 0.818 161 A HN 0.608 nan 8.150 nan 0.000 0.445 162 T N 1.262 115.844 114.554 0.047 0.000 3.316 162 T HA 0.569 4.919 4.350 0.000 0.000 0.341 162 T C 0.045 174.792 174.700 0.079 0.000 1.397 162 T CA 0.278 62.413 62.100 0.058 0.000 1.085 162 T CB 0.324 69.241 68.868 0.081 0.000 1.160 162 T HN 0.528 nan 8.240 nan 0.000 0.694 163 A N 4.964 127.776 122.820 -0.012 0.000 2.286 163 A HA 0.778 5.098 4.320 0.000 0.000 0.286 163 A C -1.894 175.516 177.584 -0.291 0.000 1.097 163 A CA -1.474 50.489 52.037 -0.124 0.000 0.821 163 A CB 0.133 19.064 19.000 -0.114 0.000 1.076 163 A HN 0.448 nan 8.150 nan 0.000 0.490 164 P HA 0.272 nan 4.420 nan 0.000 0.276 164 P C 0.262 177.359 177.300 -0.337 0.000 1.261 164 P CA -0.077 62.614 63.100 -0.682 0.000 0.800 164 P CB 0.555 31.625 31.700 -1.050 0.000 1.066 165 T N -3.519 110.886 114.554 -0.248 0.000 3.060 165 T HA 0.152 4.502 4.350 0.000 0.000 0.249 165 T C 0.778 175.409 174.700 -0.115 0.000 1.079 165 T CA 0.111 62.127 62.100 -0.140 0.000 1.013 165 T CB -0.090 68.727 68.868 -0.085 0.000 0.975 165 T HN 0.246 nan 8.240 nan 0.000 0.518 166 S N 2.542 118.145 115.700 -0.162 0.000 2.536 166 S HA 0.577 5.047 4.470 0.000 0.000 0.298 166 S C -2.692 171.796 174.600 -0.185 0.000 1.083 166 S CA -1.411 56.725 58.200 -0.108 0.000 0.995 166 S CB 1.830 65.007 63.200 -0.038 0.000 1.058 166 S HN 0.100 nan 8.310 nan 0.000 0.488 167 P HA 0.122 nan 4.420 nan 0.000 0.269 167 P C 0.628 177.771 177.300 -0.261 0.000 1.209 167 P CA -0.122 62.820 63.100 -0.264 0.000 0.776 167 P CB 0.278 31.727 31.700 -0.419 0.000 0.876 168 T N -1.791 112.625 114.554 -0.229 0.000 3.065 168 T HA 0.171 4.521 4.350 0.000 0.000 0.252 168 T C 0.772 175.392 174.700 -0.132 0.000 1.099 168 T CA 0.228 62.238 62.100 -0.150 0.000 1.063 168 T CB -0.875 67.939 68.868 -0.090 0.000 0.948 168 T HN 0.746 nan 8.240 nan 0.000 0.506 169 C N -0.942 118.218 119.300 -0.234 0.000 3.292 169 C HA 0.752 5.212 4.460 0.000 0.000 0.338 169 C C -1.914 172.886 174.990 -0.316 0.000 1.323 169 C CA -2.115 56.801 59.018 -0.171 0.000 1.232 169 C CB 0.033 27.738 27.740 -0.059 0.000 1.517 169 C HN 0.315 nan 8.230 nan 0.000 0.470 170 Y N 0.551 120.884 120.300 0.055 0.000 2.429 170 Y HA 0.734 5.284 4.550 0.000 0.000 0.342 170 Y C -0.154 175.798 175.900 0.088 0.000 1.004 170 Y CA -0.862 57.263 58.100 0.043 0.000 1.075 170 Y CB 1.773 40.242 38.460 0.015 0.000 1.214 170 Y HN 0.780 nan 8.280 nan 0.000 0.455 171 L N 4.127 125.440 121.223 0.149 0.000 2.298 171 L HA 0.678 5.018 4.340 0.000 0.000 0.284 171 L C -0.211 176.706 176.870 0.079 0.000 1.013 171 L CA -0.104 54.754 54.840 0.029 0.000 0.824 171 L CB 0.790 42.715 42.059 -0.224 0.000 1.221 171 L HN 0.763 nan 8.230 nan 0.000 0.418 172 T N 2.985 117.631 114.554 0.154 0.000 2.907 172 T HA 0.801 5.151 4.350 0.000 0.000 0.290 172 T C -0.238 174.562 174.700 0.166 0.000 1.066 172 T CA -0.773 61.425 62.100 0.164 0.000 1.012 172 T CB 1.622 70.625 68.868 0.225 0.000 1.184 172 T HN 0.684 nan 8.240 nan 0.000 0.522 173 I N -0.676 120.018 120.570 0.206 0.000 2.647 173 I HA 0.784 4.954 4.170 0.000 0.000 0.295 173 I C -1.084 175.172 176.117 0.231 0.000 1.078 173 I CA -1.236 60.227 61.300 0.271 0.000 1.048 173 I CB 2.203 40.437 38.000 0.390 0.000 1.239 173 I HN 1.033 nan 8.210 nan 0.000 0.421 174 Q N 4.289 124.147 119.800 0.096 0.000 2.416 174 Q HA 0.922 5.262 4.340 0.000 0.000 0.281 174 Q C -1.026 174.720 176.000 -0.423 0.000 1.067 174 Q CA -0.741 54.940 55.803 -0.204 0.000 0.809 174 Q CB 2.825 31.487 28.738 -0.127 0.000 1.418 174 Q HN 1.136 nan 8.270 nan 0.000 0.411 175 G N 0.741 108.930 108.800 -1.018 0.000 2.348 175 G HA2 0.350 4.310 3.960 0.000 0.000 0.296 175 G HA3 0.350 4.310 3.960 0.000 0.000 0.296 175 G C -1.891 172.572 174.900 -0.729 0.000 1.258 175 G CA -0.707 43.985 45.100 -0.681 0.000 0.868 175 G HN 0.556 nan 8.290 nan 0.000 0.488 176 Q N -0.388 119.309 119.800 -0.172 0.000 2.331 176 Q HA 0.564 4.904 4.340 0.000 0.000 0.272 176 Q C -0.934 175.176 176.000 0.182 0.000 1.062 176 Q CA -0.697 55.117 55.803 0.017 0.000 0.806 176 Q CB 2.885 31.604 28.738 -0.030 0.000 1.312 176 Q HN 0.612 nan 8.270 nan 0.000 0.431 177 I N -0.361 120.353 120.570 0.240 0.000 2.441 177 I HA 0.425 4.595 4.170 0.000 0.000 0.295 177 I C -0.176 175.971 176.117 0.051 0.000 0.994 177 I CA -0.883 60.506 61.300 0.149 0.000 1.144 177 I CB 1.505 39.590 38.000 0.143 0.000 1.314 177 I HN 0.413 nan 8.210 nan 0.000 0.445 178 E N 6.267 126.469 120.200 0.004 0.000 2.200 178 E HA 0.543 4.893 4.350 0.000 0.000 0.283 178 E C -1.137 175.437 176.600 -0.044 0.000 1.015 178 E CA -0.532 55.858 56.400 -0.017 0.000 0.819 178 E CB 1.819 31.519 29.700 0.000 0.000 1.081 178 E HN 0.440 nan 8.360 nan 0.000 0.397 179 L N 2.297 123.438 121.223 -0.137 0.000 2.346 179 L HA 0.552 4.892 4.340 0.000 0.000 0.274 179 L C -0.038 176.671 176.870 -0.269 0.000 1.007 179 L CA -0.525 54.132 54.840 -0.306 0.000 0.818 179 L CB 1.725 43.327 42.059 -0.761 0.000 1.284 179 L HN 0.573 nan 8.230 nan 0.000 0.424 180 S N -0.290 115.362 115.700 -0.080 0.000 2.588 180 S HA 0.637 5.107 4.470 0.000 0.000 0.269 180 S C -0.807 173.946 174.600 0.255 0.000 1.157 180 S CA -0.759 57.487 58.200 0.077 0.000 0.824 180 S CB 1.712 64.950 63.200 0.063 0.000 1.126 180 S HN 0.571 nan 8.310 nan 0.000 0.464 181 S N 1.376 117.208 115.700 0.221 0.000 3.551 181 S HA -0.052 4.418 4.470 0.000 0.000 0.547 181 S C -2.673 172.056 174.600 0.216 0.000 0.699 181 S CA 0.161 58.468 58.200 0.179 0.000 1.399 181 S CB -1.459 61.813 63.200 0.120 0.000 0.922 181 S HN 0.797 nan 8.310 nan 0.000 0.818 182 P HA 0.177 nan 4.420 nan 0.000 0.265 182 P C -0.239 177.028 177.300 -0.054 0.000 1.187 182 P CA -0.412 62.655 63.100 -0.055 0.000 0.766 182 P CB 0.430 32.090 31.700 -0.065 0.000 0.820 183 L N 5.053 126.202 121.223 -0.124 0.000 2.262 183 L HA 0.271 4.611 4.340 0.000 0.000 0.288 183 L C -0.601 176.220 176.870 -0.082 0.000 1.035 183 L CA -0.319 54.482 54.840 -0.066 0.000 0.820 183 L CB -0.117 41.912 42.059 -0.049 0.000 1.204 183 L HN 0.205 nan 8.230 nan 0.000 0.424 184 L N 5.675 126.867 121.223 -0.052 0.000 2.628 184 L HA 0.032 4.372 4.340 0.000 0.000 0.274 184 L C 0.380 177.221 176.870 -0.048 0.000 1.209 184 L CA 0.806 55.617 54.840 -0.048 0.000 0.930 184 L CB -0.016 42.025 42.059 -0.030 0.000 1.183 184 L HN 0.739 nan 8.230 nan 0.000 0.492 185 Q N 1.423 121.190 119.800 -0.054 0.000 2.605 185 Q HA 0.719 5.059 4.340 0.000 0.000 0.296 185 Q C -0.937 175.040 176.000 -0.039 0.000 1.056 185 Q CA -0.841 54.934 55.803 -0.048 0.000 0.778 185 Q CB 2.661 31.362 28.738 -0.062 0.000 1.497 185 Q HN 0.741 nan 8.270 nan 0.000 0.443 186 A N 0.162 122.963 122.820 -0.032 0.000 2.264 186 A HA 0.447 4.767 4.320 0.000 0.000 0.304 186 A C 0.359 177.926 177.584 -0.027 0.000 1.100 186 A CA -0.208 51.813 52.037 -0.026 0.000 0.839 186 A CB 1.011 19.998 19.000 -0.021 0.000 1.121 186 A HN 0.744 nan 8.150 nan 0.000 0.496 187 S N -0.141 115.545 115.700 -0.022 0.000 2.439 187 S HA 0.029 4.499 4.470 0.000 0.000 0.224 187 S C 1.433 176.023 174.600 -0.017 0.000 1.029 187 S CA 0.691 58.879 58.200 -0.020 0.000 0.946 187 S CB -0.184 63.006 63.200 -0.016 0.000 0.797 187 S HN 0.755 nan 8.310 nan 0.000 0.504 188 S N 0.000 115.691 115.700 -0.015 0.000 2.498 188 S HA 0.000 4.470 4.470 0.000 0.000 0.327 188 S CA 0.000 58.192 58.200 -0.013 0.000 1.107 188 S CB 0.000 63.193 63.200 -0.012 0.000 0.593 188 S HN 0.000 nan 8.310 nan 0.000 0.517