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 2zn9_1_A DATA FIRST_RESID 21 DATA SEQUENCE ALPDQSFLWN VFQRVDKDRS GVISDTELQQ ALSNGTWTPF NPVTVRSIIS DATA SEQUENCE MFDRENKAGV NFSEFTGVWK YITDWQNVFR TYDRDNSGMI DKNELKQALS DATA SEQUENCE GFGYRLSDQF HDILIRKFDR QGRGQIAFDD FIQGCIVLQR LTDIFRRYDT DATA SEQUENCE DQDGWIQVSY EQYLSMVFS 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 21 A HA 0.000 nan 4.320 nan 0.000 0.244 21 A C 0.000 177.642 177.584 0.097 0.000 1.274 21 A CA 0.000 52.155 52.037 0.197 0.000 0.836 21 A CB 0.000 19.073 19.000 0.122 0.000 0.831 22 L N 0.253 121.523 121.223 0.077 0.000 2.854 22 L HA 0.316 4.636 4.340 -0.033 0.000 0.249 22 L C -1.628 175.194 176.870 -0.080 0.000 1.091 22 L CA 0.817 55.663 54.840 0.010 0.000 0.935 22 L CB -0.626 41.454 42.059 0.035 0.000 1.367 22 L HN 0.590 nan 8.230 nan 0.000 0.524 23 P HA 0.267 nan 4.420 nan 0.000 0.279 23 P C -0.989 176.237 177.300 -0.124 0.000 1.252 23 P CA -0.285 62.661 63.100 -0.256 0.000 0.811 23 P CB 0.747 32.151 31.700 -0.493 0.000 1.035 24 D N -0.492 119.889 120.400 -0.031 0.000 2.383 24 D HA -0.001 4.619 4.640 -0.033 0.000 0.248 24 D C 1.168 177.540 176.300 0.121 0.000 1.170 24 D CA -0.472 53.552 54.000 0.040 0.000 0.977 24 D CB 0.507 41.337 40.800 0.051 0.000 1.120 24 D HN 0.525 nan 8.370 nan 0.000 0.481 25 Q N 0.626 120.509 119.800 0.138 0.000 2.112 25 Q HA -0.268 4.052 4.340 -0.033 0.000 0.206 25 Q C 1.787 177.964 176.000 0.295 0.000 0.987 25 Q CA 2.298 58.254 55.803 0.256 0.000 0.858 25 Q CB -0.368 28.489 28.738 0.198 0.000 0.905 25 Q HN 0.475 nan 8.270 nan 0.000 0.420 26 S N -0.618 115.206 115.700 0.206 0.000 2.368 26 S HA -0.236 4.214 4.470 -0.033 0.000 0.226 26 S C 1.508 176.238 174.600 0.217 0.000 1.044 26 S CA 1.539 59.864 58.200 0.209 0.000 1.062 26 S CB -0.677 62.614 63.200 0.152 0.000 0.931 26 S HN 0.604 nan 8.310 nan 0.000 0.440 27 F N 1.756 121.754 119.950 0.079 0.000 2.069 27 F HA -0.051 4.457 4.527 -0.032 0.000 0.298 27 F C 1.934 177.783 175.800 0.081 0.000 1.113 27 F CA 1.704 59.728 58.000 0.042 0.000 1.214 27 F CB -0.317 38.667 39.000 -0.026 0.000 0.978 27 F HN 0.195 nan 8.300 nan 0.000 0.474 28 L N -0.756 120.589 121.223 0.204 0.000 2.395 28 L HA -0.185 4.135 4.340 -0.033 0.000 0.218 28 L C 2.293 179.506 176.870 0.572 0.000 1.130 28 L CA 0.735 55.730 54.840 0.259 0.000 0.826 28 L CB -0.753 41.420 42.059 0.191 0.000 0.941 28 L HN 0.563 nan 8.230 nan 0.000 0.451 29 W N 1.368 122.766 121.300 0.162 0.000 2.481 29 W HA -0.140 4.500 4.660 -0.034 0.000 0.293 29 W C 1.807 178.271 176.519 -0.091 0.000 1.201 29 W CA 0.791 58.003 57.345 -0.221 0.000 1.328 29 W CB -0.186 28.902 29.460 -0.620 0.000 1.112 29 W HN 0.211 nan 8.180 nan 0.000 0.546 30 N N 0.581 119.104 118.700 -0.295 0.000 2.036 30 N HA -0.245 4.475 4.740 -0.033 0.000 0.195 30 N C 1.756 177.068 175.510 -0.330 0.000 1.037 30 N CA 2.372 55.194 53.050 -0.380 0.000 0.855 30 N CB -0.470 37.849 38.487 -0.280 0.000 1.033 30 N HN -0.100 nan 8.380 nan 0.000 0.423 31 V N 1.080 120.838 119.914 -0.260 0.000 2.252 31 V HA -0.270 3.830 4.120 -0.033 0.000 0.249 31 V C 1.875 177.881 176.094 -0.146 0.000 1.056 31 V CA 1.760 63.972 62.300 -0.147 0.000 1.022 31 V CB -0.761 31.078 31.823 0.027 0.000 0.641 31 V HN 0.295 nan 8.190 nan 0.000 0.445 32 F N 0.894 120.719 119.950 -0.207 0.000 2.087 32 F HA -0.313 4.194 4.527 -0.034 0.000 0.299 32 F C 2.580 178.106 175.800 -0.457 0.000 1.100 32 F CA 2.326 60.083 58.000 -0.405 0.000 1.226 32 F CB -0.306 38.687 39.000 -0.012 0.000 0.983 32 F HN 0.201 nan 8.300 nan 0.000 0.479 33 Q N -0.418 119.105 119.800 -0.461 0.000 2.167 33 Q HA -0.161 4.159 4.340 -0.033 0.000 0.202 33 Q C 2.263 178.018 176.000 -0.408 0.000 0.970 33 Q CA 1.406 56.897 55.803 -0.520 0.000 0.855 33 Q CB -0.207 28.128 28.738 -0.671 0.000 0.911 33 Q HN 0.473 nan 8.270 nan 0.000 0.438 34 R N -0.158 120.129 120.500 -0.354 0.000 2.062 34 R HA -0.068 4.253 4.340 -0.033 0.000 0.229 34 R C 2.268 178.404 176.300 -0.274 0.000 1.128 34 R CA 1.247 57.189 56.100 -0.263 0.000 0.960 34 R CB -0.214 29.965 30.300 -0.203 0.000 0.855 34 R HN 0.083 nan 8.270 nan 0.000 0.432 35 V N 1.264 120.966 119.914 -0.353 0.000 2.548 35 V HA -0.155 3.945 4.120 -0.033 0.000 0.249 35 V C 0.735 176.580 176.094 -0.416 0.000 1.055 35 V CA 1.273 63.357 62.300 -0.360 0.000 1.065 35 V CB -0.425 31.134 31.823 -0.441 0.000 0.681 35 V HN 0.249 nan 8.190 nan 0.000 0.462 36 D N 0.103 120.159 120.400 -0.573 0.000 2.551 36 D HA 0.069 4.689 4.640 -0.033 0.000 0.223 36 D C 1.202 177.321 176.300 -0.302 0.000 1.144 36 D CA 0.241 53.929 54.000 -0.519 0.000 1.025 36 D CB 0.344 40.685 40.800 -0.765 0.000 1.085 36 D HN 0.203 nan 8.370 nan 0.000 0.506 37 K N 0.767 121.035 120.400 -0.221 0.000 2.116 37 K HA -0.072 4.228 4.320 -0.033 0.000 0.203 37 K C 1.365 177.898 176.600 -0.113 0.000 1.052 37 K CA 1.121 57.315 56.287 -0.154 0.000 0.952 37 K CB 0.259 32.685 32.500 -0.124 0.000 0.729 37 K HN 0.367 nan 8.250 nan 0.000 0.446 38 D N 0.463 120.805 120.400 -0.098 0.000 2.363 38 D HA -0.117 4.503 4.640 -0.033 0.000 0.220 38 D C -0.275 175.991 176.300 -0.055 0.000 0.994 38 D CA 0.250 54.211 54.000 -0.065 0.000 0.890 38 D CB -0.135 40.636 40.800 -0.048 0.000 0.906 38 D HN 0.063 nan 8.370 nan 0.000 0.530 39 R N -0.329 120.125 120.500 -0.077 0.000 3.525 39 R HA -0.169 4.151 4.340 -0.033 0.000 0.276 39 R C 0.954 177.258 176.300 0.008 0.000 1.116 39 R CA 0.807 56.879 56.100 -0.046 0.000 0.745 39 R CB -3.120 27.156 30.300 -0.039 0.000 1.185 39 R HN 0.420 nan 8.270 nan 0.000 0.454 40 S N -0.927 114.777 115.700 0.007 0.000 2.561 40 S HA 0.132 4.582 4.470 -0.033 0.000 0.225 40 S C 1.680 176.340 174.600 0.100 0.000 0.977 40 S CA 0.571 58.796 58.200 0.042 0.000 0.926 40 S CB 0.714 63.930 63.200 0.026 0.000 0.769 40 S HN 1.009 nan 8.310 nan 0.000 0.533 41 G N -0.037 108.859 108.800 0.161 0.000 2.179 41 G HA2 -0.236 3.705 3.960 -0.033 0.000 0.260 41 G HA3 -0.236 3.705 3.960 -0.033 0.000 0.260 41 G C 0.011 175.146 174.900 0.391 0.000 0.977 41 G CA 0.147 45.440 45.100 0.321 0.000 0.641 41 G HN 0.805 nan 8.290 nan 0.000 0.533 42 V N 1.621 121.677 119.914 0.237 0.000 2.487 42 V HA 0.549 4.649 4.120 -0.033 0.000 0.298 42 V C 0.622 176.751 176.094 0.059 0.000 1.028 42 V CA -0.901 61.532 62.300 0.222 0.000 0.860 42 V CB 1.872 33.779 31.823 0.140 0.000 0.991 42 V HN 0.294 nan 8.190 nan 0.000 0.427 43 I N 4.532 125.116 120.570 0.022 0.000 2.452 43 I HA 0.228 4.378 4.170 -0.033 0.000 0.287 43 I C 0.965 177.071 176.117 -0.019 0.000 1.079 43 I CA 0.569 61.789 61.300 -0.132 0.000 1.387 43 I CB 1.247 39.101 38.000 -0.243 0.000 1.404 43 I HN 0.831 nan 8.210 nan 0.000 0.522 44 S N 3.072 118.746 115.700 -0.044 0.000 2.730 44 S HA 0.240 4.690 4.470 -0.033 0.000 0.284 44 S C 0.678 175.271 174.600 -0.012 0.000 1.153 44 S CA -0.602 57.592 58.200 -0.010 0.000 0.995 44 S CB 1.363 64.554 63.200 -0.015 0.000 1.058 44 S HN 0.634 nan 8.310 nan 0.000 0.552 45 D N 0.932 121.333 120.400 0.003 0.000 2.133 45 D HA -0.069 4.551 4.640 -0.033 0.000 0.195 45 D C 1.719 178.013 176.300 -0.009 0.000 0.997 45 D CA 2.016 56.018 54.000 0.004 0.000 0.840 45 D CB -0.726 40.083 40.800 0.014 0.000 0.947 45 D HN 0.606 nan 8.370 nan 0.000 0.452 46 T N 0.355 114.900 114.554 -0.014 0.000 2.777 46 T HA -0.103 4.227 4.350 -0.033 0.000 0.266 46 T C 1.680 176.358 174.700 -0.035 0.000 1.040 46 T CA 1.096 63.185 62.100 -0.017 0.000 1.141 46 T CB -0.217 68.641 68.868 -0.017 0.000 0.868 46 T HN 0.251 nan 8.240 nan 0.000 0.444 47 E N 0.383 120.547 120.200 -0.059 0.000 2.152 47 E HA -0.002 4.328 4.350 -0.033 0.000 0.192 47 E C 2.012 178.554 176.600 -0.096 0.000 0.983 47 E CA 0.423 56.767 56.400 -0.093 0.000 0.818 47 E CB -0.108 29.506 29.700 -0.143 0.000 0.758 47 E HN 0.206 nan 8.360 nan 0.000 0.467 48 L N 1.204 122.381 121.223 -0.077 0.000 2.072 48 L HA -0.161 4.159 4.340 -0.033 0.000 0.205 48 L C 2.409 179.225 176.870 -0.090 0.000 1.079 48 L CA 1.710 56.509 54.840 -0.068 0.000 0.752 48 L CB -0.399 41.638 42.059 -0.036 0.000 0.906 48 L HN 0.053 nan 8.230 nan 0.000 0.436 49 Q N -0.616 119.143 119.800 -0.068 0.000 2.096 49 Q HA -0.318 4.002 4.340 -0.033 0.000 0.208 49 Q C 2.085 178.085 176.000 -0.001 0.000 0.993 49 Q CA 2.508 58.294 55.803 -0.028 0.000 0.862 49 Q CB -0.209 28.543 28.738 0.024 0.000 0.915 49 Q HN 0.675 nan 8.270 nan 0.000 0.416 50 Q N -0.953 118.838 119.800 -0.015 0.000 2.364 50 Q HA -0.059 4.261 4.340 -0.033 0.000 0.207 50 Q C 1.734 177.722 176.000 -0.020 0.000 0.970 50 Q CA 0.845 56.641 55.803 -0.013 0.000 0.888 50 Q CB 0.081 28.801 28.738 -0.030 0.000 0.951 50 Q HN 0.476 nan 8.270 nan 0.000 0.469 51 A N 0.272 123.073 122.820 -0.032 0.000 2.030 51 A HA 0.116 4.416 4.320 -0.033 0.000 0.215 51 A C 0.881 178.469 177.584 0.005 0.000 1.164 51 A CA 0.187 52.216 52.037 -0.013 0.000 0.697 51 A CB 0.207 19.206 19.000 -0.002 0.000 0.827 51 A HN 0.171 nan 8.150 nan 0.000 0.457 52 L N 0.368 121.575 121.223 -0.026 0.000 2.325 52 L HA 0.450 4.770 4.340 -0.033 0.000 0.279 52 L C 0.177 177.179 176.870 0.219 0.000 1.054 52 L CA -0.431 54.403 54.840 -0.009 0.000 0.804 52 L CB 1.735 43.484 42.059 -0.518 0.000 1.200 52 L HN 0.178 nan 8.230 nan 0.000 0.436 53 S N 1.188 117.059 115.700 0.285 0.000 2.473 53 S HA 0.284 4.734 4.470 -0.033 0.000 0.307 53 S C 0.357 175.118 174.600 0.268 0.000 1.094 53 S CA -0.878 57.440 58.200 0.196 0.000 1.070 53 S CB 0.993 64.201 63.200 0.012 0.000 1.019 53 S HN 0.713 nan 8.310 nan 0.000 0.480 54 N N 3.542 122.292 118.700 0.083 0.000 2.280 54 N HA 0.209 4.929 4.740 -0.033 0.000 0.192 54 N C 1.345 176.805 175.510 -0.082 0.000 1.109 54 N CA 0.668 53.667 53.050 -0.086 0.000 0.855 54 N CB -0.144 38.136 38.487 -0.344 0.000 0.974 54 N HN 1.060 nan 8.380 nan 0.000 0.482 55 G N 0.121 108.865 108.800 -0.092 0.000 2.347 55 G HA2 -0.393 3.547 3.960 -0.033 0.000 0.247 55 G HA3 -0.393 3.547 3.960 -0.033 0.000 0.247 55 G C 1.035 175.910 174.900 -0.042 0.000 1.037 55 G CA 1.099 46.141 45.100 -0.097 0.000 0.622 55 G HN 0.712 nan 8.290 nan 0.000 0.521 56 T N -4.437 110.126 114.554 0.015 0.000 3.107 56 T HA 0.282 4.612 4.350 -0.033 0.000 0.249 56 T C 1.118 176.006 174.700 0.314 0.000 1.096 56 T CA 0.946 63.138 62.100 0.153 0.000 1.012 56 T CB -0.314 68.609 68.868 0.091 0.000 0.977 56 T HN 1.360 nan 8.240 nan 0.000 0.527 57 W N 1.299 122.604 121.300 0.009 0.000 2.525 57 W HA -0.238 4.401 4.660 -0.035 0.000 0.288 57 W C 0.269 176.796 176.519 0.013 0.000 1.125 57 W CA 0.588 57.941 57.345 0.014 0.000 0.538 57 W CB -2.435 27.032 29.460 0.011 0.000 2.165 57 W HN 0.668 nan 8.180 nan 0.000 1.258 58 T N -3.340 111.307 114.554 0.154 0.000 2.924 58 T HA 0.753 5.083 4.350 -0.033 0.000 0.291 58 T C -2.401 172.339 174.700 0.067 0.000 1.045 58 T CA -2.274 59.888 62.100 0.103 0.000 1.015 58 T CB 2.565 71.477 68.868 0.073 0.000 1.103 58 T HN -0.300 nan 8.240 nan 0.000 0.496 59 P HA 0.157 nan 4.420 nan 0.000 0.264 59 P C -0.517 176.842 177.300 0.098 0.000 1.193 59 P CA -0.308 62.842 63.100 0.085 0.000 0.763 59 P CB -0.076 31.667 31.700 0.072 0.000 0.810 60 F N 3.345 123.293 119.950 -0.004 0.000 2.612 60 F HA -0.084 4.423 4.527 -0.034 0.000 0.389 60 F C 1.353 177.141 175.800 -0.021 0.000 1.055 60 F CA -0.115 57.875 58.000 -0.017 0.000 1.232 60 F CB 0.069 39.059 39.000 -0.018 0.000 1.044 60 F HN 0.316 nan 8.300 nan 0.000 0.560 61 N N 8.279 126.975 118.700 -0.007 0.000 2.047 61 N HA -0.130 4.590 4.740 -0.033 0.000 0.292 61 N C -1.634 173.988 175.510 0.187 0.000 1.356 61 N CA -0.538 52.541 53.050 0.047 0.000 0.836 61 N CB 0.728 39.169 38.487 -0.077 0.000 1.113 61 N HN 0.338 nan 8.380 nan 0.000 0.495 62 P HA -0.085 nan 4.420 nan 0.000 0.222 62 P C 1.412 178.760 177.300 0.080 0.000 1.153 62 P CA 0.531 63.690 63.100 0.098 0.000 0.798 62 P CB 0.357 32.095 31.700 0.062 0.000 0.796 63 V N 0.742 120.699 119.914 0.071 0.000 2.295 63 V HA -0.205 3.895 4.120 -0.033 0.000 0.246 63 V C 2.589 178.721 176.094 0.064 0.000 1.049 63 V CA 2.670 65.005 62.300 0.059 0.000 1.024 63 V CB -2.016 29.840 31.823 0.056 0.000 0.648 63 V HN 0.176 nan 8.190 nan 0.000 0.447 64 T N 0.118 114.723 114.554 0.086 0.000 2.720 64 T HA -0.174 4.156 4.350 -0.033 0.000 0.268 64 T C 1.951 176.707 174.700 0.093 0.000 1.037 64 T CA 1.658 63.814 62.100 0.094 0.000 1.144 64 T CB -0.345 68.620 68.868 0.162 0.000 0.864 64 T HN 0.291 nan 8.240 nan 0.000 0.444 65 V N 1.385 121.360 119.914 0.101 0.000 2.407 65 V HA -0.151 3.949 4.120 -0.033 0.000 0.248 65 V C 2.693 178.805 176.094 0.029 0.000 1.055 65 V CA 1.554 63.862 62.300 0.013 0.000 1.049 65 V CB -0.593 31.231 31.823 0.002 0.000 0.662 65 V HN 0.216 nan 8.190 nan 0.000 0.455 66 R N 0.606 121.132 120.500 0.042 0.000 2.073 66 R HA -0.112 4.208 4.340 -0.033 0.000 0.234 66 R C 2.567 178.891 176.300 0.040 0.000 1.134 66 R CA 1.988 58.111 56.100 0.038 0.000 0.952 66 R CB -0.981 29.340 30.300 0.034 0.000 0.850 66 R HN 0.475 nan 8.270 nan 0.000 0.433 67 S N -0.009 115.716 115.700 0.041 0.000 2.370 67 S HA -0.095 4.355 4.470 -0.033 0.000 0.226 67 S C 1.883 176.509 174.600 0.044 0.000 1.033 67 S CA 1.526 59.747 58.200 0.036 0.000 1.011 67 S CB -0.261 62.959 63.200 0.035 0.000 0.852 67 S HN 0.281 nan 8.310 nan 0.000 0.457 68 I N 0.454 121.065 120.570 0.069 0.000 2.315 68 I HA -0.148 4.002 4.170 -0.033 0.000 0.248 68 I C 2.016 178.231 176.117 0.162 0.000 1.117 68 I CA 0.838 62.203 61.300 0.110 0.000 1.404 68 I CB -0.280 37.785 38.000 0.108 0.000 1.071 68 I HN 0.207 nan 8.210 nan 0.000 0.419 69 I N 0.692 121.326 120.570 0.108 0.000 2.142 69 I HA -0.306 3.844 4.170 -0.033 0.000 0.240 69 I C 2.649 178.841 176.117 0.124 0.000 1.078 69 I CA 1.960 63.334 61.300 0.124 0.000 1.343 69 I CB -0.229 37.820 38.000 0.082 0.000 1.046 69 I HN 0.243 nan 8.210 nan 0.000 0.405 70 S N -0.739 115.002 115.700 0.068 0.000 2.522 70 S HA -0.043 4.407 4.470 -0.033 0.000 0.227 70 S C 1.888 176.477 174.600 -0.017 0.000 0.986 70 S CA 0.440 58.659 58.200 0.032 0.000 0.929 70 S CB -0.474 62.736 63.200 0.017 0.000 0.769 70 S HN 0.355 nan 8.310 nan 0.000 0.529 71 M N -0.141 119.438 119.600 -0.035 0.000 2.254 71 M HA 0.169 4.629 4.480 -0.033 0.000 0.265 71 M C 0.781 176.845 176.300 -0.394 0.000 1.066 71 M CA 1.480 56.642 55.300 -0.230 0.000 1.123 71 M CB -0.167 32.243 32.600 -0.316 0.000 1.388 71 M HN 0.364 nan 8.290 nan 0.000 0.425 72 F N -1.179 118.733 119.950 -0.063 0.000 2.706 72 F HA 0.139 4.645 4.527 -0.034 0.000 0.308 72 F C 0.476 176.282 175.800 0.011 0.000 1.095 72 F CA -0.656 57.326 58.000 -0.029 0.000 1.244 72 F CB 0.306 39.297 39.000 -0.015 0.000 1.063 72 F HN -0.066 nan 8.300 nan 0.000 0.582 73 D N 0.618 121.101 120.400 0.139 0.000 2.316 73 D HA 0.199 4.819 4.640 -0.033 0.000 0.245 73 D C 0.913 177.242 176.300 0.048 0.000 1.171 73 D CA 0.116 54.177 54.000 0.103 0.000 0.856 73 D CB 0.773 41.627 40.800 0.090 0.000 1.090 73 D HN 0.153 nan 8.370 nan 0.000 0.476 74 R N 2.313 122.842 120.500 0.048 0.000 2.307 74 R HA 0.166 4.486 4.340 -0.033 0.000 0.200 74 R C 0.632 176.946 176.300 0.023 0.000 0.893 74 R CA 0.193 56.305 56.100 0.020 0.000 1.042 74 R CB 0.645 30.954 30.300 0.015 0.000 1.059 74 R HN 0.440 nan 8.270 nan 0.000 0.530 75 E N 1.218 121.440 120.200 0.037 0.000 2.451 75 E HA 0.073 4.403 4.350 -0.033 0.000 0.194 75 E C -0.312 176.308 176.600 0.032 0.000 1.027 75 E CA -0.264 56.156 56.400 0.033 0.000 0.914 75 E CB 0.166 29.891 29.700 0.041 0.000 1.054 75 E HN 0.188 nan 8.360 nan 0.000 0.461 76 N N 2.035 120.753 118.700 0.030 0.000 2.701 76 N HA -0.206 4.514 4.740 -0.033 0.000 0.250 76 N C -0.365 175.164 175.510 0.032 0.000 1.046 76 N CA 0.682 53.748 53.050 0.027 0.000 0.733 76 N CB -0.316 38.182 38.487 0.018 0.000 0.973 76 N HN 0.153 nan 8.380 nan 0.000 0.541 77 K N -0.013 120.413 120.400 0.043 0.000 2.577 77 K HA 0.498 4.798 4.320 -0.033 0.000 0.210 77 K C 0.821 177.448 176.600 0.045 0.000 1.048 77 K CA 0.460 56.773 56.287 0.044 0.000 1.188 77 K CB 0.030 32.562 32.500 0.054 0.000 0.910 77 K HN 0.277 nan 8.250 nan 0.000 0.483 78 A N -0.320 122.524 122.820 0.041 0.000 2.550 78 A HA 0.023 4.323 4.320 -0.033 0.000 0.298 78 A C 0.667 178.280 177.584 0.048 0.000 1.485 78 A CA 0.903 52.963 52.037 0.039 0.000 0.780 78 A CB -1.936 17.080 19.000 0.028 0.000 1.045 78 A HN 0.900 nan 8.150 nan 0.000 0.423 79 G N -2.837 106.004 108.800 0.068 0.000 2.320 79 G HA2 0.694 4.634 3.960 -0.033 0.000 0.296 79 G HA3 0.694 4.634 3.960 -0.033 0.000 0.296 79 G C -0.700 174.278 174.900 0.130 0.000 1.306 79 G CA 0.419 45.572 45.100 0.088 0.000 0.836 79 G HN 1.978 nan 8.290 nan 0.000 0.517 80 V N -1.303 118.717 119.914 0.177 0.000 2.876 80 V HA 0.863 4.963 4.120 -0.033 0.000 0.312 80 V C -0.160 176.135 176.094 0.335 0.000 1.085 80 V CA -0.782 61.665 62.300 0.245 0.000 0.945 80 V CB 1.448 33.450 31.823 0.297 0.000 1.017 80 V HN 1.319 nan 8.190 nan 0.000 0.428 81 N N 1.785 120.661 118.700 0.294 0.000 2.495 81 N HA 0.370 5.090 4.740 -0.033 0.000 0.294 81 N C 0.591 176.208 175.510 0.178 0.000 1.276 81 N CA -0.463 52.757 53.050 0.283 0.000 0.973 81 N CB 0.163 38.739 38.487 0.150 0.000 1.143 81 N HN 0.602 nan 8.380 nan 0.000 0.589 82 F N 0.237 119.939 119.950 -0.414 0.000 2.046 82 F HA -0.173 4.334 4.527 -0.033 0.000 0.297 82 F C 2.636 178.406 175.800 -0.049 0.000 1.123 82 F CA 2.257 59.928 58.000 -0.549 0.000 1.199 82 F CB -1.022 37.612 39.000 -0.611 0.000 0.972 82 F HN 0.554 nan 8.300 nan 0.000 0.474 83 S N -0.170 115.365 115.700 -0.274 0.000 2.374 83 S HA -0.277 4.173 4.470 -0.033 0.000 0.227 83 S C 1.937 176.453 174.600 -0.139 0.000 1.037 83 S CA 1.970 59.995 58.200 -0.292 0.000 1.024 83 S CB -0.629 62.506 63.200 -0.108 0.000 0.861 83 S HN 0.661 nan 8.310 nan 0.000 0.456 84 E N -0.594 119.620 120.200 0.022 0.000 2.208 84 E HA -0.064 4.266 4.350 -0.033 0.000 0.193 84 E C 1.741 178.411 176.600 0.116 0.000 0.988 84 E CA 1.082 57.567 56.400 0.141 0.000 0.828 84 E CB -0.267 29.558 29.700 0.209 0.000 0.763 84 E HN 0.723 nan 8.360 nan 0.000 0.478 85 F N 2.234 122.192 119.950 0.013 0.000 2.206 85 F HA -0.166 4.342 4.527 -0.032 0.000 0.298 85 F C 2.518 178.323 175.800 0.008 0.000 1.090 85 F CA 1.817 59.862 58.000 0.076 0.000 1.323 85 F CB -0.625 38.598 39.000 0.372 0.000 1.028 85 F HN -0.042 nan 8.300 nan 0.000 0.492 86 T N -2.012 112.380 114.554 -0.269 0.000 2.778 86 T HA -0.145 4.185 4.350 -0.033 0.000 0.269 86 T C 2.253 176.846 174.700 -0.177 0.000 1.050 86 T CA 1.372 63.282 62.100 -0.317 0.000 1.137 86 T CB -1.549 67.096 68.868 -0.371 0.000 0.860 86 T HN 0.340 nan 8.240 nan 0.000 0.468 87 G N 0.644 109.336 108.800 -0.180 0.000 2.394 87 G HA2 -0.032 3.908 3.960 -0.033 0.000 0.215 87 G HA3 -0.032 3.908 3.960 -0.033 0.000 0.215 87 G C 1.649 176.122 174.900 -0.712 0.000 1.165 87 G CA 0.632 45.629 45.100 -0.172 0.000 0.784 87 G HN 0.463 nan 8.290 nan 0.000 0.535 88 V N -0.075 119.234 119.914 -1.009 0.000 2.252 88 V HA -0.218 3.882 4.120 -0.033 0.000 0.249 88 V C 2.277 178.125 176.094 -0.411 0.000 1.056 88 V CA 2.158 63.953 62.300 -0.841 0.000 1.022 88 V CB -0.616 30.968 31.823 -0.399 0.000 0.641 88 V HN 0.649 nan 8.190 nan 0.000 0.445 89 W N 1.259 122.149 121.300 -0.683 0.000 2.321 89 W HA -0.313 4.329 4.660 -0.031 0.000 0.306 89 W C 2.592 179.000 176.519 -0.185 0.000 1.217 89 W CA 2.493 59.552 57.345 -0.477 0.000 1.257 89 W CB -0.100 28.993 29.460 -0.612 0.000 1.145 89 W HN 0.103 nan 8.180 nan 0.000 0.509 90 K N -0.694 119.771 120.400 0.107 0.000 2.057 90 K HA -0.254 4.046 4.320 -0.033 0.000 0.206 90 K C 2.061 178.638 176.600 -0.038 0.000 1.050 90 K CA 1.889 58.203 56.287 0.045 0.000 0.935 90 K CB -1.415 31.220 32.500 0.225 0.000 0.715 90 K HN 0.336 nan 8.250 nan 0.000 0.439 91 Y N 0.363 120.605 120.300 -0.096 0.000 2.165 91 Y HA -0.159 4.373 4.550 -0.030 0.000 0.286 91 Y C 1.691 177.669 175.900 0.130 0.000 1.155 91 Y CA 1.860 59.988 58.100 0.047 0.000 1.164 91 Y CB -0.134 38.397 38.460 0.118 0.000 0.978 91 Y HN 0.063 nan 8.280 nan 0.000 0.513 92 I N -0.904 119.683 120.570 0.029 0.000 2.353 92 I HA -0.256 3.894 4.170 -0.033 0.000 0.248 92 I C 2.291 178.407 176.117 -0.001 0.000 1.119 92 I CA 1.681 63.025 61.300 0.073 0.000 1.417 92 I CB -0.504 37.498 38.000 0.004 0.000 1.078 92 I HN 0.143 nan 8.210 nan 0.000 0.421 93 T N 0.051 114.415 114.554 -0.318 0.000 2.708 93 T HA -0.175 4.156 4.350 -0.033 0.000 0.266 93 T C 1.532 176.134 174.700 -0.165 0.000 1.037 93 T CA 1.618 63.486 62.100 -0.388 0.000 1.146 93 T CB -0.314 68.078 68.868 -0.792 0.000 0.865 93 T HN 0.285 nan 8.240 nan 0.000 0.435 94 D N 0.191 120.499 120.400 -0.154 0.000 2.104 94 D HA -0.098 4.522 4.640 -0.033 0.000 0.194 94 D C 1.797 178.043 176.300 -0.090 0.000 0.994 94 D CA 1.000 54.908 54.000 -0.152 0.000 0.830 94 D CB -0.449 40.204 40.800 -0.245 0.000 0.959 94 D HN 0.549 nan 8.370 nan 0.000 0.452 95 W N 1.487 122.780 121.300 -0.012 0.000 2.338 95 W HA -0.169 4.469 4.660 -0.037 0.000 0.304 95 W C 2.745 179.524 176.519 0.434 0.000 1.212 95 W CA 0.783 58.263 57.345 0.225 0.000 1.264 95 W CB -0.235 29.316 29.460 0.153 0.000 1.142 95 W HN 0.075 nan 8.180 nan 0.000 0.512 96 Q N -0.216 119.824 119.800 0.400 0.000 2.096 96 Q HA -0.223 4.097 4.340 -0.033 0.000 0.204 96 Q C 1.941 177.998 176.000 0.096 0.000 0.982 96 Q CA 1.404 57.168 55.803 -0.065 0.000 0.850 96 Q CB -0.539 28.043 28.738 -0.260 0.000 0.901 96 Q HN 0.341 nan 8.270 nan 0.000 0.422 97 N N 0.103 118.859 118.700 0.094 0.000 2.084 97 N HA -0.126 4.594 4.740 -0.033 0.000 0.190 97 N C 1.931 177.525 175.510 0.139 0.000 1.030 97 N CA 1.061 54.151 53.050 0.066 0.000 0.849 97 N CB -0.347 38.147 38.487 0.012 0.000 1.012 97 N HN 0.043 nan 8.380 nan 0.000 0.423 98 V N 1.265 121.335 119.914 0.261 0.000 2.332 98 V HA -0.235 3.865 4.120 -0.033 0.000 0.248 98 V C 2.067 178.460 176.094 0.498 0.000 1.055 98 V CA 1.418 63.975 62.300 0.428 0.000 1.038 98 V CB -0.634 31.543 31.823 0.590 0.000 0.651 98 V HN 0.167 nan 8.190 nan 0.000 0.450 99 F N 1.077 121.250 119.950 0.371 0.000 2.075 99 F HA -0.189 4.324 4.527 -0.024 0.000 0.297 99 F C 2.621 178.409 175.800 -0.020 0.000 1.113 99 F CA 1.883 59.957 58.000 0.124 0.000 1.218 99 F CB -0.290 38.802 39.000 0.154 0.000 0.984 99 F HN -0.024 nan 8.300 nan 0.000 0.472 100 R N -0.644 119.921 120.500 0.108 0.000 2.081 100 R HA -0.140 4.180 4.340 -0.033 0.000 0.235 100 R C 2.100 178.310 176.300 -0.149 0.000 1.131 100 R CA 1.904 57.980 56.100 -0.041 0.000 0.960 100 R CB -1.081 29.218 30.300 -0.001 0.000 0.856 100 R HN 0.279 nan 8.270 nan 0.000 0.436 101 T N 0.350 114.799 114.554 -0.175 0.000 2.665 101 T HA -0.192 4.138 4.350 -0.033 0.000 0.268 101 T C 1.438 175.836 174.700 -0.503 0.000 1.035 101 T CA 1.623 63.497 62.100 -0.377 0.000 1.151 101 T CB -0.329 68.212 68.868 -0.546 0.000 0.862 101 T HN 0.348 nan 8.240 nan 0.000 0.438 102 Y N 0.594 120.798 120.300 -0.159 0.000 2.523 102 Y HA 0.180 4.717 4.550 -0.022 0.000 0.279 102 Y C 1.186 176.891 175.900 -0.324 0.000 1.139 102 Y CA -0.353 57.614 58.100 -0.221 0.000 1.296 102 Y CB 0.060 38.397 38.460 -0.205 0.000 1.045 102 Y HN 0.096 nan 8.280 nan 0.000 0.538 103 D N 0.935 121.136 120.400 -0.330 0.000 2.600 103 D HA 0.020 4.640 4.640 -0.033 0.000 0.226 103 D C 1.487 177.666 176.300 -0.202 0.000 1.119 103 D CA 0.100 53.878 54.000 -0.370 0.000 1.051 103 D CB 0.038 40.523 40.800 -0.525 0.000 1.106 103 D HN 0.097 nan 8.370 nan 0.000 0.491 104 R N 0.894 121.306 120.500 -0.147 0.000 2.115 104 R HA -0.086 4.234 4.340 -0.033 0.000 0.226 104 R C 0.907 177.158 176.300 -0.080 0.000 1.100 104 R CA 1.329 57.367 56.100 -0.104 0.000 0.980 104 R CB 0.242 30.496 30.300 -0.076 0.000 0.875 104 R HN 0.357 nan 8.270 nan 0.000 0.445 105 D N -0.903 119.451 120.400 -0.077 0.000 2.339 105 D HA -0.060 4.560 4.640 -0.033 0.000 0.217 105 D C -0.353 175.918 176.300 -0.048 0.000 1.050 105 D CA -0.022 53.946 54.000 -0.054 0.000 0.856 105 D CB -0.152 40.621 40.800 -0.045 0.000 0.922 105 D HN 0.074 nan 8.370 nan 0.000 0.518 106 N N -0.207 118.455 118.700 -0.062 0.000 2.780 106 N HA -0.178 4.542 4.740 -0.033 0.000 0.248 106 N C 0.546 176.044 175.510 -0.020 0.000 1.102 106 N CA 1.006 54.030 53.050 -0.044 0.000 0.697 106 N CB -1.895 36.573 38.487 -0.031 0.000 1.028 106 N HN 0.499 nan 8.380 nan 0.000 0.554 107 S N -1.921 113.765 115.700 -0.024 0.000 2.524 107 S HA 0.359 4.809 4.470 -0.033 0.000 0.216 107 S C 1.557 176.185 174.600 0.046 0.000 0.987 107 S CA 1.050 59.254 58.200 0.007 0.000 0.909 107 S CB 0.843 64.041 63.200 -0.003 0.000 0.781 107 S HN 1.009 nan 8.310 nan 0.000 0.521 108 G N 1.071 109.911 108.800 0.066 0.000 2.176 108 G HA2 -0.177 3.763 3.960 -0.033 0.000 0.253 108 G HA3 -0.177 3.763 3.960 -0.033 0.000 0.253 108 G C -0.073 175.015 174.900 0.315 0.000 0.979 108 G CA 0.483 45.703 45.100 0.200 0.000 0.641 108 G HN 0.438 nan 8.290 nan 0.000 0.530 109 M N 0.421 120.109 119.600 0.147 0.000 2.446 109 M HA 0.510 4.970 4.480 -0.033 0.000 0.294 109 M C -0.415 175.847 176.300 -0.064 0.000 1.158 109 M CA -1.063 54.330 55.300 0.155 0.000 0.899 109 M CB 1.753 34.411 32.600 0.097 0.000 1.687 109 M HN -0.075 nan 8.290 nan 0.000 0.455 110 I N 3.372 123.882 120.570 -0.100 0.000 2.352 110 I HA 0.110 4.260 4.170 -0.033 0.000 0.290 110 I C 0.274 176.352 176.117 -0.066 0.000 1.036 110 I CA -0.060 61.110 61.300 -0.218 0.000 1.336 110 I CB 0.653 38.440 38.000 -0.355 0.000 1.407 110 I HN 0.664 nan 8.210 nan 0.000 0.497 111 D N 6.297 126.652 120.400 -0.075 0.000 2.478 111 D HA 0.133 4.753 4.640 -0.033 0.000 0.269 111 D C 0.938 177.216 176.300 -0.036 0.000 1.232 111 D CA -0.537 53.441 54.000 -0.036 0.000 1.059 111 D CB 0.973 41.751 40.800 -0.036 0.000 1.104 111 D HN 0.370 nan 8.370 nan 0.000 0.566 112 K N -0.736 119.647 120.400 -0.028 0.000 2.026 112 K HA -0.179 4.121 4.320 -0.033 0.000 0.208 112 K C 1.543 178.080 176.600 -0.106 0.000 1.048 112 K CA 1.157 57.421 56.287 -0.039 0.000 0.929 112 K CB -0.153 32.335 32.500 -0.019 0.000 0.713 112 K HN 0.289 nan 8.250 nan 0.000 0.439 113 N N 1.189 119.834 118.700 -0.092 0.000 2.120 113 N HA -0.153 4.567 4.740 -0.033 0.000 0.188 113 N C 1.534 176.974 175.510 -0.116 0.000 1.024 113 N CA 1.354 54.339 53.050 -0.108 0.000 0.852 113 N CB -0.154 38.291 38.487 -0.071 0.000 1.003 113 N HN 0.349 nan 8.380 nan 0.000 0.424 114 E N 0.268 120.410 120.200 -0.097 0.000 2.077 114 E HA -0.148 4.182 4.350 -0.033 0.000 0.193 114 E C 1.842 178.368 176.600 -0.123 0.000 0.989 114 E CA 0.552 56.895 56.400 -0.094 0.000 0.800 114 E CB -0.119 29.508 29.700 -0.122 0.000 0.746 114 E HN 0.131 nan 8.360 nan 0.000 0.452 115 L N 1.573 122.736 121.223 -0.100 0.000 2.093 115 L HA -0.161 4.159 4.340 -0.033 0.000 0.208 115 L C 1.797 178.573 176.870 -0.158 0.000 1.085 115 L CA 1.785 56.601 54.840 -0.040 0.000 0.755 115 L CB -0.085 42.014 42.059 0.068 0.000 0.904 115 L HN -0.099 nan 8.230 nan 0.000 0.435 116 K N -1.109 119.081 120.400 -0.351 0.000 2.097 116 K HA -0.156 4.144 4.320 -0.033 0.000 0.206 116 K C 2.099 178.544 176.600 -0.259 0.000 1.049 116 K CA 1.301 57.285 56.287 -0.505 0.000 0.933 116 K CB -0.122 32.051 32.500 -0.545 0.000 0.717 116 K HN 0.383 nan 8.250 nan 0.000 0.442 117 Q N 0.092 119.758 119.800 -0.223 0.000 2.079 117 Q HA -0.074 4.246 4.340 -0.033 0.000 0.200 117 Q C 2.222 177.902 176.000 -0.532 0.000 0.974 117 Q CA 1.493 57.184 55.803 -0.187 0.000 0.840 117 Q CB -0.288 28.449 28.738 -0.002 0.000 0.898 117 Q HN 0.309 nan 8.270 nan 0.000 0.430 118 A N 1.103 123.403 122.820 -0.867 0.000 1.858 118 A HA -0.129 4.171 4.320 -0.033 0.000 0.216 118 A C 2.263 179.098 177.584 -1.248 0.000 1.190 118 A CA 1.142 52.179 52.037 -1.667 0.000 0.617 118 A CB -0.778 17.697 19.000 -0.875 0.000 0.827 118 A HN 0.295 nan 8.150 nan 0.000 0.443 119 L N -0.659 120.231 121.223 -0.555 0.000 2.056 119 L HA -0.138 4.182 4.340 -0.033 0.000 0.207 119 L C 2.933 179.829 176.870 0.044 0.000 1.078 119 L CA 1.509 56.243 54.840 -0.177 0.000 0.749 119 L CB -0.537 41.525 42.059 0.005 0.000 0.901 119 L HN 0.540 nan 8.230 nan 0.000 0.433 120 S N 0.330 116.008 115.700 -0.037 0.000 2.368 120 S HA -0.147 4.303 4.470 -0.033 0.000 0.225 120 S C 2.005 176.608 174.600 0.005 0.000 1.030 120 S CA 1.459 59.676 58.200 0.027 0.000 0.999 120 S CB -0.429 62.771 63.200 0.000 0.000 0.844 120 S HN 0.514 nan 8.310 nan 0.000 0.459 121 G N -0.298 108.425 108.800 -0.129 0.000 2.470 121 G HA2 -0.089 3.851 3.960 -0.033 0.000 0.220 121 G HA3 -0.089 3.851 3.960 -0.033 0.000 0.220 121 G C 1.096 176.070 174.900 0.124 0.000 1.121 121 G CA 0.426 45.509 45.100 -0.027 0.000 0.766 121 G HN 0.645 nan 8.290 nan 0.000 0.553 122 F N 0.278 120.294 119.950 0.111 0.000 2.811 122 F HA 0.242 4.752 4.527 -0.028 0.000 0.301 122 F C 2.111 177.940 175.800 0.049 0.000 1.151 122 F CA 0.045 58.128 58.000 0.139 0.000 1.412 122 F CB 0.519 39.697 39.000 0.297 0.000 1.113 122 F HN 0.301 nan 8.300 nan 0.000 0.579 123 G N -0.381 108.540 108.800 0.201 0.000 2.175 123 G HA2 -0.301 3.639 3.960 -0.033 0.000 0.244 123 G HA3 -0.301 3.639 3.960 -0.033 0.000 0.244 123 G C -0.122 174.762 174.900 -0.027 0.000 0.982 123 G CA -0.638 44.491 45.100 0.048 0.000 0.641 123 G HN 0.296 nan 8.290 nan 0.000 0.527 124 Y N -0.061 120.286 120.300 0.078 0.000 2.425 124 Y HA 0.589 5.118 4.550 -0.035 0.000 0.331 124 Y C 1.171 177.081 175.900 0.017 0.000 1.157 124 Y CA -0.027 58.095 58.100 0.036 0.000 1.372 124 Y CB 0.788 39.282 38.460 0.058 0.000 1.253 124 Y HN 0.098 nan 8.280 nan 0.000 0.536 125 R N 3.589 124.161 120.500 0.120 0.000 2.363 125 R HA 0.531 4.851 4.340 -0.033 0.000 0.297 125 R C -1.969 174.341 176.300 0.018 0.000 1.208 125 R CA -0.116 56.022 56.100 0.063 0.000 1.121 125 R CB 0.056 30.368 30.300 0.021 0.000 1.124 125 R HN 0.644 nan 8.270 nan 0.000 0.561 126 L N 1.161 122.414 121.223 0.050 0.000 2.370 126 L HA 0.579 4.899 4.340 -0.033 0.000 0.266 126 L C 0.177 177.086 176.870 0.066 0.000 1.002 126 L CA -1.027 53.788 54.840 -0.041 0.000 0.818 126 L CB 2.235 44.208 42.059 -0.142 0.000 1.325 126 L HN 0.516 nan 8.230 nan 0.000 0.418 127 S N -1.080 114.632 115.700 0.020 0.000 2.600 127 S HA 0.018 4.468 4.470 -0.033 0.000 0.265 127 S C 0.732 175.454 174.600 0.203 0.000 1.325 127 S CA -0.357 57.898 58.200 0.092 0.000 1.002 127 S CB 1.049 64.281 63.200 0.052 0.000 0.921 127 S HN 0.841 nan 8.310 nan 0.000 0.554 128 D N 0.818 121.339 120.400 0.202 0.000 2.106 128 D HA -0.200 4.420 4.640 -0.033 0.000 0.191 128 D C 1.887 178.331 176.300 0.240 0.000 0.997 128 D CA 1.789 55.938 54.000 0.248 0.000 0.834 128 D CB -0.068 40.804 40.800 0.121 0.000 0.956 128 D HN 0.763 nan 8.370 nan 0.000 0.448 129 Q N -0.099 119.788 119.800 0.145 0.000 2.224 129 Q HA -0.157 4.163 4.340 -0.033 0.000 0.203 129 Q C 2.173 178.222 176.000 0.081 0.000 0.970 129 Q CA 0.568 56.429 55.803 0.097 0.000 0.865 129 Q CB -1.160 27.621 28.738 0.071 0.000 0.922 129 Q HN 0.413 nan 8.270 nan 0.000 0.445 130 F N 2.161 122.073 119.950 -0.064 0.000 2.269 130 F HA -0.143 4.363 4.527 -0.035 0.000 0.301 130 F C 1.564 177.251 175.800 -0.188 0.000 1.082 130 F CA 1.267 59.173 58.000 -0.157 0.000 1.360 130 F CB -0.102 38.748 39.000 -0.249 0.000 1.041 130 F HN 0.114 nan 8.300 nan 0.000 0.512 131 H N -0.725 118.323 119.070 -0.037 0.000 2.491 131 H HA -0.108 4.430 4.556 -0.029 0.000 0.290 131 H C 1.796 177.039 175.328 -0.143 0.000 1.050 131 H CA 1.390 57.375 56.048 -0.104 0.000 1.309 131 H CB -0.196 29.562 29.762 -0.006 0.000 1.392 131 H HN 0.270 nan 8.280 nan 0.000 0.554 132 D N 0.275 120.652 120.400 -0.038 0.000 2.137 132 D HA -0.082 4.538 4.640 -0.033 0.000 0.202 132 D C 2.138 178.356 176.300 -0.137 0.000 0.970 132 D CA 0.741 54.706 54.000 -0.057 0.000 0.837 132 D CB 0.001 40.785 40.800 -0.026 0.000 0.981 132 D HN 0.377 nan 8.370 nan 0.000 0.475 133 I N 0.943 121.366 120.570 -0.244 0.000 2.208 133 I HA -0.244 3.906 4.170 -0.033 0.000 0.245 133 I C 2.604 178.517 176.117 -0.341 0.000 1.097 133 I CA 0.713 61.830 61.300 -0.306 0.000 1.363 133 I CB -0.179 37.586 38.000 -0.392 0.000 1.051 133 I HN -0.030 nan 8.210 nan 0.000 0.413 134 L N 0.534 121.474 121.223 -0.470 0.000 2.056 134 L HA -0.207 4.113 4.340 -0.033 0.000 0.207 134 L C 2.501 179.379 176.870 0.013 0.000 1.078 134 L CA 1.514 56.217 54.840 -0.228 0.000 0.749 134 L CB -0.111 41.776 42.059 -0.287 0.000 0.901 134 L HN 0.135 nan 8.230 nan 0.000 0.433 135 I N -0.701 119.855 120.570 -0.022 0.000 2.142 135 I HA -0.348 3.802 4.170 -0.033 0.000 0.240 135 I C 2.691 178.804 176.117 -0.006 0.000 1.078 135 I CA 1.347 62.663 61.300 0.028 0.000 1.343 135 I CB -0.317 37.694 38.000 0.018 0.000 1.046 135 I HN 0.169 nan 8.210 nan 0.000 0.405 136 R N 0.679 121.142 120.500 -0.060 0.000 2.096 136 R HA -0.253 4.067 4.340 -0.033 0.000 0.240 136 R C 2.333 178.549 176.300 -0.140 0.000 1.139 136 R CA 1.861 57.911 56.100 -0.083 0.000 0.952 136 R CB -0.243 30.003 30.300 -0.090 0.000 0.854 136 R HN 0.140 nan 8.270 nan 0.000 0.436 137 K N -0.444 119.820 120.400 -0.226 0.000 2.057 137 K HA -0.108 4.192 4.320 -0.033 0.000 0.207 137 K C 1.077 177.304 176.600 -0.622 0.000 1.049 137 K CA 1.601 57.599 56.287 -0.481 0.000 0.931 137 K CB 0.062 32.155 32.500 -0.678 0.000 0.714 137 K HN 0.118 nan 8.250 nan 0.000 0.440 138 F N -0.581 119.332 119.950 -0.061 0.000 2.706 138 F HA 0.206 4.713 4.527 -0.033 0.000 0.308 138 F C 0.072 175.851 175.800 -0.035 0.000 1.095 138 F CA -0.743 57.227 58.000 -0.050 0.000 1.244 138 F CB 0.401 39.367 39.000 -0.056 0.000 1.063 138 F HN -0.104 nan 8.300 nan 0.000 0.582 139 D N 1.392 121.852 120.400 0.100 0.000 2.344 139 D HA 0.094 4.714 4.640 -0.033 0.000 0.253 139 D C 0.974 177.288 176.300 0.023 0.000 1.255 139 D CA 0.187 54.225 54.000 0.063 0.000 0.894 139 D CB 0.529 41.358 40.800 0.049 0.000 1.067 139 D HN 0.140 nan 8.370 nan 0.000 0.492 140 R N 2.475 122.988 120.500 0.022 0.000 2.335 140 R HA 0.077 4.397 4.340 -0.033 0.000 0.223 140 R C 1.086 177.389 176.300 0.005 0.000 0.940 140 R CA 0.223 56.325 56.100 0.004 0.000 1.086 140 R CB 0.521 30.820 30.300 -0.001 0.000 1.073 140 R HN 0.518 nan 8.270 nan 0.000 0.504 141 Q N -0.993 118.814 119.800 0.012 0.000 2.423 141 Q HA 0.116 4.436 4.340 -0.033 0.000 0.231 141 Q C 1.025 177.031 176.000 0.010 0.000 0.894 141 Q CA 0.824 56.637 55.803 0.016 0.000 0.938 141 Q CB 0.983 29.737 28.738 0.026 0.000 1.079 141 Q HN 0.432 nan 8.270 nan 0.000 0.552 142 G N 2.148 110.953 108.800 0.008 0.000 2.182 142 G HA2 -0.294 3.646 3.960 -0.033 0.000 0.248 142 G HA3 -0.294 3.646 3.960 -0.033 0.000 0.248 142 G C 0.556 175.459 174.900 0.004 0.000 1.042 142 G CA 0.523 45.623 45.100 0.001 0.000 0.775 142 G HN 0.282 nan 8.290 nan 0.000 0.501 143 R N -0.535 119.972 120.500 0.011 0.000 2.437 143 R HA 0.418 4.738 4.340 -0.033 0.000 0.257 143 R C 1.909 178.216 176.300 0.012 0.000 0.927 143 R CA 0.453 56.559 56.100 0.011 0.000 1.078 143 R CB 0.655 30.965 30.300 0.016 0.000 1.161 143 R HN 1.265 nan 8.270 nan 0.000 0.529 144 G N 1.239 110.048 108.800 0.015 0.000 2.159 144 G HA2 -0.241 3.699 3.960 -0.033 0.000 0.256 144 G HA3 -0.241 3.699 3.960 -0.033 0.000 0.256 144 G C -0.095 174.819 174.900 0.023 0.000 0.977 144 G CA -0.043 45.067 45.100 0.015 0.000 0.652 144 G HN 0.184 nan 8.290 nan 0.000 0.531 145 Q N -0.136 119.683 119.800 0.032 0.000 2.322 145 Q HA 0.634 4.954 4.340 -0.033 0.000 0.265 145 Q C 0.160 176.202 176.000 0.070 0.000 0.985 145 Q CA -0.468 55.359 55.803 0.041 0.000 0.849 145 Q CB 1.856 30.618 28.738 0.039 0.000 1.274 145 Q HN 0.485 nan 8.270 nan 0.000 0.449 146 I N 1.626 122.254 120.570 0.097 0.000 2.331 146 I HA 0.393 4.543 4.170 -0.033 0.000 0.292 146 I C 0.471 176.719 176.117 0.217 0.000 0.998 146 I CA -0.660 60.729 61.300 0.149 0.000 1.267 146 I CB 1.485 39.607 38.000 0.203 0.000 1.386 146 I HN 0.532 nan 8.210 nan 0.000 0.476 147 A N 5.112 128.021 122.820 0.148 0.000 2.346 147 A HA 0.184 4.484 4.320 -0.033 0.000 0.252 147 A C 0.819 178.418 177.584 0.025 0.000 1.089 147 A CA -0.183 51.914 52.037 0.100 0.000 0.797 147 A CB 0.090 19.079 19.000 -0.017 0.000 1.047 147 A HN 0.761 nan 8.150 nan 0.000 0.494 148 F N 1.457 121.109 119.950 -0.497 0.000 2.063 148 F HA -0.287 4.221 4.527 -0.032 0.000 0.298 148 F C 2.057 177.613 175.800 -0.407 0.000 1.109 148 F CA 2.874 60.382 58.000 -0.821 0.000 1.212 148 F CB -0.332 38.079 39.000 -0.982 0.000 0.973 148 F HN 0.727 nan 8.300 nan 0.000 0.480 149 D N -0.795 119.130 120.400 -0.792 0.000 2.144 149 D HA -0.201 4.419 4.640 -0.033 0.000 0.199 149 D C 1.540 177.545 176.300 -0.492 0.000 0.984 149 D CA 1.637 55.036 54.000 -1.003 0.000 0.834 149 D CB -1.129 38.668 40.800 -1.672 0.000 0.955 149 D HN 0.318 nan 8.370 nan 0.000 0.465 150 D N -0.703 119.533 120.400 -0.274 0.000 2.277 150 D HA -0.054 4.566 4.640 -0.033 0.000 0.208 150 D C 1.589 177.838 176.300 -0.085 0.000 0.962 150 D CA 0.238 54.178 54.000 -0.101 0.000 0.865 150 D CB -0.428 40.383 40.800 0.018 0.000 0.939 150 D HN 0.244 nan 8.370 nan 0.000 0.510 151 F N 1.423 121.247 119.950 -0.209 0.000 2.163 151 F HA -0.020 4.489 4.527 -0.029 0.000 0.297 151 F C 2.039 177.588 175.800 -0.419 0.000 1.094 151 F CA 0.838 58.749 58.000 -0.148 0.000 1.290 151 F CB -0.170 38.928 39.000 0.165 0.000 1.017 151 F HN -0.186 nan 8.300 nan 0.000 0.483 152 I N 0.099 120.258 120.570 -0.686 0.000 2.127 152 I HA -0.324 3.826 4.170 -0.033 0.000 0.241 152 I C 2.474 178.164 176.117 -0.711 0.000 1.075 152 I CA 1.610 62.233 61.300 -1.129 0.000 1.334 152 I CB -0.724 36.603 38.000 -1.122 0.000 1.040 152 I HN 0.196 nan 8.210 nan 0.000 0.405 153 Q N 1.365 120.871 119.800 -0.490 0.000 2.045 153 Q HA -0.177 4.143 4.340 -0.033 0.000 0.206 153 Q C 2.158 177.707 176.000 -0.751 0.000 0.991 153 Q CA 2.439 57.998 55.803 -0.406 0.000 0.851 153 Q CB -1.017 27.601 28.738 -0.200 0.000 0.911 153 Q HN 0.506 nan 8.270 nan 0.000 0.418 154 G N -0.419 107.751 108.800 -1.050 0.000 2.529 154 G HA2 -0.344 3.596 3.960 -0.033 0.000 0.219 154 G HA3 -0.344 3.596 3.960 -0.033 0.000 0.219 154 G C 1.665 176.092 174.900 -0.789 0.000 1.177 154 G CA 1.291 45.519 45.100 -1.453 0.000 0.773 154 G HN 0.524 nan 8.290 nan 0.000 0.573 155 C N 0.399 119.345 119.300 -0.590 0.000 2.453 155 C HA 0.025 4.465 4.460 -0.033 0.000 0.277 155 C C 2.812 177.696 174.990 -0.176 0.000 1.262 155 C CA 0.282 59.098 59.018 -0.337 0.000 1.718 155 C CB -0.903 26.661 27.740 -0.293 0.000 2.031 155 C HN 0.409 nan 8.230 nan 0.000 0.480 156 I N 1.111 121.559 120.570 -0.204 0.000 2.113 156 I HA -0.183 3.967 4.170 -0.033 0.000 0.242 156 I C 2.534 178.617 176.117 -0.058 0.000 1.064 156 I CA 1.701 62.964 61.300 -0.062 0.000 1.320 156 I CB -1.784 36.175 38.000 -0.068 0.000 1.028 156 I HN 0.146 nan 8.210 nan 0.000 0.406 157 V N 0.576 120.409 119.914 -0.134 0.000 2.295 157 V HA -0.260 3.840 4.120 -0.033 0.000 0.246 157 V C 2.664 178.761 176.094 0.005 0.000 1.049 157 V CA 1.369 63.648 62.300 -0.036 0.000 1.024 157 V CB -0.518 31.325 31.823 0.034 0.000 0.648 157 V HN 0.345 nan 8.190 nan 0.000 0.447 158 L N 0.312 121.504 121.223 -0.051 0.000 1.997 158 L HA -0.308 4.012 4.340 -0.033 0.000 0.216 158 L C 2.929 179.869 176.870 0.116 0.000 1.074 158 L CA 2.587 57.438 54.840 0.017 0.000 0.763 158 L CB -0.543 41.455 42.059 -0.103 0.000 0.890 158 L HN 0.587 nan 8.230 nan 0.000 0.434 159 Q N -0.637 119.236 119.800 0.122 0.000 2.230 159 Q HA -0.251 4.069 4.340 -0.033 0.000 0.202 159 Q C 2.159 178.214 176.000 0.091 0.000 0.963 159 Q CA 1.133 57.023 55.803 0.144 0.000 0.866 159 Q CB -0.294 28.518 28.738 0.123 0.000 0.931 159 Q HN 0.387 nan 8.270 nan 0.000 0.452 160 R N 0.672 121.213 120.500 0.069 0.000 2.096 160 R HA 0.012 4.332 4.340 -0.033 0.000 0.235 160 R C 2.181 178.522 176.300 0.067 0.000 1.127 160 R CA 1.266 57.401 56.100 0.058 0.000 0.968 160 R CB -0.028 30.300 30.300 0.047 0.000 0.861 160 R HN 0.329 nan 8.270 nan 0.000 0.440 161 L N -1.037 120.232 121.223 0.076 0.000 2.375 161 L HA 0.008 4.328 4.340 -0.033 0.000 0.215 161 L C 1.913 178.843 176.870 0.101 0.000 1.108 161 L CA 0.765 55.652 54.840 0.078 0.000 0.830 161 L CB -0.149 41.953 42.059 0.072 0.000 0.959 161 L HN 0.207 nan 8.230 nan 0.000 0.457 162 T N -0.827 113.790 114.554 0.106 0.000 2.867 162 T HA -0.193 4.137 4.350 -0.033 0.000 0.268 162 T C 1.622 176.405 174.700 0.139 0.000 1.057 162 T CA 1.434 63.602 62.100 0.114 0.000 1.136 162 T CB -0.150 68.781 68.868 0.105 0.000 0.874 162 T HN 0.402 nan 8.240 nan 0.000 0.466 163 D N 1.171 121.634 120.400 0.105 0.000 2.097 163 D HA -0.117 4.503 4.640 -0.033 0.000 0.197 163 D C 2.069 178.438 176.300 0.114 0.000 0.984 163 D CA 0.904 54.959 54.000 0.093 0.000 0.826 163 D CB -0.046 40.793 40.800 0.065 0.000 0.973 163 D HN 0.160 nan 8.370 nan 0.000 0.460 164 I N 0.847 121.482 120.570 0.109 0.000 2.118 164 I HA -0.245 3.905 4.170 -0.033 0.000 0.241 164 I C 2.533 178.718 176.117 0.113 0.000 1.070 164 I CA 0.889 62.248 61.300 0.097 0.000 1.327 164 I CB -1.665 36.354 38.000 0.031 0.000 1.034 164 I HN 0.064 nan 8.210 nan 0.000 0.405 165 F N 1.826 121.763 119.950 -0.021 0.000 2.134 165 F HA -0.206 4.302 4.527 -0.032 0.000 0.299 165 F C 2.738 178.580 175.800 0.069 0.000 1.097 165 F CA 1.624 59.612 58.000 -0.020 0.000 1.264 165 F CB -0.239 38.737 39.000 -0.040 0.000 1.001 165 F HN -0.038 nan 8.300 nan 0.000 0.479 166 R N -0.310 120.309 120.500 0.199 0.000 2.189 166 R HA -0.049 4.271 4.340 -0.033 0.000 0.223 166 R C 2.227 178.569 176.300 0.070 0.000 1.092 166 R CA 0.764 56.933 56.100 0.115 0.000 0.989 166 R CB -0.243 30.125 30.300 0.114 0.000 0.876 166 R HN 0.267 nan 8.270 nan 0.000 0.457 167 R N -0.812 119.758 120.500 0.117 0.000 2.152 167 R HA -0.140 4.180 4.340 -0.033 0.000 0.232 167 R C 1.163 177.502 176.300 0.066 0.000 1.117 167 R CA 1.419 57.585 56.100 0.111 0.000 0.981 167 R CB 0.015 30.425 30.300 0.183 0.000 0.870 167 R HN 0.371 nan 8.270 nan 0.000 0.451 168 Y N -0.783 119.428 120.300 -0.149 0.000 2.500 168 Y HA 0.042 4.572 4.550 -0.033 0.000 0.284 168 Y C 0.770 176.533 175.900 -0.229 0.000 1.118 168 Y CA -0.452 57.534 58.100 -0.190 0.000 1.241 168 Y CB 0.504 38.814 38.460 -0.250 0.000 1.171 168 Y HN -0.126 nan 8.280 nan 0.000 0.540 169 D N 0.819 121.123 120.400 -0.160 0.000 2.455 169 D HA 0.001 4.621 4.640 -0.033 0.000 0.234 169 D C 1.062 177.338 176.300 -0.040 0.000 1.224 169 D CA 0.341 54.244 54.000 -0.161 0.000 0.999 169 D CB 0.696 41.357 40.800 -0.232 0.000 1.072 169 D HN 0.349 nan 8.370 nan 0.000 0.514 170 T N 0.094 114.631 114.554 -0.028 0.000 2.777 170 T HA -0.219 4.111 4.350 -0.033 0.000 0.266 170 T C 1.106 175.811 174.700 0.008 0.000 1.040 170 T CA 1.030 63.121 62.100 -0.015 0.000 1.141 170 T CB -0.085 68.768 68.868 -0.025 0.000 0.868 170 T HN 0.389 nan 8.240 nan 0.000 0.444 171 D N 1.306 121.720 120.400 0.024 0.000 2.336 171 D HA -0.012 4.608 4.640 -0.033 0.000 0.228 171 D C 0.410 176.747 176.300 0.062 0.000 1.120 171 D CA -0.173 53.850 54.000 0.039 0.000 0.839 171 D CB -0.555 40.270 40.800 0.041 0.000 0.932 171 D HN 0.264 nan 8.370 nan 0.000 0.509 172 Q N 1.020 120.858 119.800 0.065 0.000 2.346 172 Q HA -0.221 4.099 4.340 -0.033 0.000 0.302 172 Q C 0.522 176.597 176.000 0.126 0.000 1.196 172 Q CA 1.352 57.211 55.803 0.093 0.000 0.929 172 Q CB -1.764 27.015 28.738 0.069 0.000 1.245 172 Q HN 0.755 nan 8.270 nan 0.000 0.502 173 D N -1.062 119.435 120.400 0.163 0.000 2.355 173 D HA 0.034 4.654 4.640 -0.033 0.000 0.218 173 D C 1.263 177.733 176.300 0.283 0.000 1.004 173 D CA 0.939 55.069 54.000 0.217 0.000 0.880 173 D CB 0.024 40.965 40.800 0.234 0.000 0.911 173 D HN 0.467 nan 8.370 nan 0.000 0.528 174 G N -0.097 108.859 108.800 0.259 0.000 2.132 174 G HA2 -0.229 3.711 3.960 -0.033 0.000 0.234 174 G HA3 -0.229 3.711 3.960 -0.033 0.000 0.234 174 G C -0.642 174.251 174.900 -0.011 0.000 0.989 174 G CA 0.043 45.225 45.100 0.138 0.000 0.676 174 G HN 0.267 nan 8.290 nan 0.000 0.522 175 W N -0.025 121.443 121.300 0.279 0.000 3.097 175 W HA 0.699 5.340 4.660 -0.032 0.000 0.335 175 W C 0.216 176.810 176.519 0.125 0.000 1.114 175 W CA -1.125 56.354 57.345 0.222 0.000 1.231 175 W CB 1.093 30.619 29.460 0.110 0.000 1.388 175 W HN 0.371 nan 8.180 nan 0.000 0.485 176 I N -0.246 120.514 120.570 0.316 0.000 2.892 176 I HA 0.660 4.810 4.170 -0.033 0.000 0.306 176 I C -0.811 175.406 176.117 0.167 0.000 1.078 176 I CA -1.443 59.925 61.300 0.114 0.000 1.032 176 I CB 2.218 40.137 38.000 -0.135 0.000 1.229 176 I HN 0.397 nan 8.210 nan 0.000 0.435 177 Q N 3.525 123.395 119.800 0.115 0.000 2.325 177 Q HA 0.650 4.970 4.340 -0.033 0.000 0.262 177 Q C -1.326 174.740 176.000 0.110 0.000 0.968 177 Q CA -0.766 55.101 55.803 0.107 0.000 0.877 177 Q CB 1.821 30.605 28.738 0.078 0.000 1.253 177 Q HN 0.707 nan 8.270 nan 0.000 0.448 178 V N 1.368 121.350 119.914 0.114 0.000 2.604 178 V HA 0.709 4.809 4.120 -0.033 0.000 0.305 178 V C 0.035 176.200 176.094 0.119 0.000 1.043 178 V CA -0.865 61.514 62.300 0.133 0.000 0.888 178 V CB 1.331 33.242 31.823 0.146 0.000 0.995 178 V HN 0.862 nan 8.190 nan 0.000 0.429 179 S N 2.935 118.712 115.700 0.129 0.000 2.600 179 S HA 0.196 4.646 4.470 -0.033 0.000 0.265 179 S C 0.817 175.530 174.600 0.188 0.000 1.325 179 S CA 0.343 58.625 58.200 0.137 0.000 1.002 179 S CB 0.323 63.596 63.200 0.121 0.000 0.921 179 S HN 1.110 nan 8.310 nan 0.000 0.554 180 Y N 0.879 121.223 120.300 0.073 0.000 2.207 180 Y HA -0.140 4.390 4.550 -0.033 0.000 0.287 180 Y C 2.330 178.335 175.900 0.174 0.000 1.156 180 Y CA 2.306 60.475 58.100 0.114 0.000 1.182 180 Y CB -0.409 38.085 38.460 0.056 0.000 0.979 180 Y HN 0.958 nan 8.280 nan 0.000 0.521 181 E N -0.388 119.817 120.200 0.007 0.000 2.016 181 E HA -0.235 4.095 4.350 -0.033 0.000 0.190 181 E C 2.263 178.810 176.600 -0.089 0.000 0.985 181 E CA 1.205 57.536 56.400 -0.115 0.000 0.802 181 E CB -0.169 29.537 29.700 0.010 0.000 0.762 181 E HN 0.601 nan 8.360 nan 0.000 0.448 182 Q N -0.501 119.318 119.800 0.032 0.000 2.118 182 Q HA -0.285 4.035 4.340 -0.033 0.000 0.211 182 Q C 2.065 178.065 176.000 -0.001 0.000 0.998 182 Q CA 2.259 58.115 55.803 0.089 0.000 0.872 182 Q CB -0.453 28.406 28.738 0.201 0.000 0.925 182 Q HN 0.455 nan 8.270 nan 0.000 0.414 183 Y N 0.841 121.072 120.300 -0.114 0.000 2.081 183 Y HA -0.266 4.264 4.550 -0.034 0.000 0.280 183 Y C 1.736 177.464 175.900 -0.286 0.000 1.163 183 Y CA 1.735 59.734 58.100 -0.168 0.000 1.135 183 Y CB -0.372 38.022 38.460 -0.109 0.000 0.970 183 Y HN 0.029 nan 8.280 nan 0.000 0.498 184 L N 0.168 120.963 121.223 -0.712 0.000 2.056 184 L HA -0.182 4.138 4.340 -0.033 0.000 0.207 184 L C 2.874 179.241 176.870 -0.839 0.000 1.078 184 L CA 1.525 55.749 54.840 -1.027 0.000 0.749 184 L CB -0.883 40.629 42.059 -0.912 0.000 0.901 184 L HN 0.459 nan 8.230 nan 0.000 0.433 185 S N 0.564 116.006 115.700 -0.429 0.000 2.399 185 S HA -0.241 4.209 4.470 -0.033 0.000 0.231 185 S C 1.949 176.464 174.600 -0.142 0.000 1.022 185 S CA 1.419 59.506 58.200 -0.187 0.000 0.983 185 S CB -0.365 62.807 63.200 -0.046 0.000 0.803 185 S HN 0.587 nan 8.310 nan 0.000 0.480 186 M N 0.022 119.485 119.600 -0.229 0.000 2.510 186 M HA 0.324 4.785 4.480 -0.033 0.000 0.256 186 M C 1.237 177.401 176.300 -0.227 0.000 1.132 186 M CA 0.603 55.771 55.300 -0.220 0.000 1.105 186 M CB -0.015 32.346 32.600 -0.398 0.000 1.375 186 M HN 0.144 nan 8.290 nan 0.000 0.477 187 V N 0.360 120.047 119.914 -0.379 0.000 3.235 187 V HA -0.007 4.093 4.120 -0.033 0.000 0.259 187 V C 1.788 177.810 176.094 -0.120 0.000 1.133 187 V CA 1.158 63.257 62.300 -0.335 0.000 1.128 187 V CB -0.838 30.611 31.823 -0.624 0.000 0.757 187 V HN 0.512 nan 8.190 nan 0.000 0.469 188 F N -0.120 119.730 119.950 -0.166 0.000 2.558 188 F HA -0.006 4.501 4.527 -0.034 0.000 0.298 188 F C 1.844 177.605 175.800 -0.065 0.000 1.119 188 F CA -0.340 57.596 58.000 -0.106 0.000 1.451 188 F CB 0.037 38.980 39.000 -0.095 0.000 1.091 188 F HN 0.105 nan 8.300 nan 0.000 0.563 189 S N 0.000 115.767 115.700 0.112 0.000 2.498 189 S HA 0.000 4.450 4.470 -0.033 0.000 0.327 189 S CA 0.000 58.240 58.200 0.066 0.000 1.107 189 S CB 0.000 63.223 63.200 0.038 0.000 0.593 189 S HN 0.000 nan 8.310 nan 0.000 0.517