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 3ot2_1_A DATA FIRST_RESID 8 DATA SEQUENCE PITLDEFLKL PETEPASEYI EGKIIQKPXP QGKHSAIQSE CVSVINSVVK DATA SEQUENCE PQRIARAFLE LRCTFGDHST VPDISVFIWS RIPREENGEI ANIFLIAPDW DATA SEQUENCE TIEILSPDQS QTKVTKNILH CLKHGTQXGW LIDPDEQTVF VYRPQQETEV DATA SEQUENCE FDEPDALVPV PSFASELHLS IKDLFSWLL 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 8 P HA 0.000 nan 4.420 nan 0.000 0.216 8 P C 0.000 177.341 177.300 0.068 0.000 1.155 8 P CA 0.000 63.125 63.100 0.042 0.000 0.800 8 P CB 0.000 31.716 31.700 0.027 0.000 0.726 9 I N 0.941 121.579 120.570 0.113 0.000 2.752 9 I HA 0.622 4.792 4.170 -0.000 0.000 0.295 9 I C -0.192 176.041 176.117 0.195 0.000 1.219 9 I CA -0.066 61.321 61.300 0.145 0.000 1.030 9 I CB 2.503 40.615 38.000 0.186 0.000 1.259 9 I HN 0.361 nan 8.210 nan 0.000 0.423 10 T N 3.340 117.942 114.554 0.080 0.000 2.881 10 T HA 0.274 4.624 4.350 -0.000 0.000 0.278 10 T C 0.830 175.364 174.700 -0.276 0.000 0.982 10 T CA -0.569 61.542 62.100 0.018 0.000 0.989 10 T CB 1.388 70.260 68.868 0.007 0.000 1.058 10 T HN 0.611 nan 8.240 nan 0.000 0.529 11 L N 0.590 121.574 121.223 -0.397 0.000 2.017 11 L HA 0.024 4.364 4.340 -0.000 0.000 0.208 11 L C 2.000 178.730 176.870 -0.232 0.000 1.073 11 L CA 1.955 56.422 54.840 -0.621 0.000 0.745 11 L CB -1.119 40.764 42.059 -0.293 0.000 0.894 11 L HN 0.716 nan 8.230 nan 0.000 0.432 12 D N -0.181 120.149 120.400 -0.116 0.000 2.123 12 D HA -0.213 4.427 4.640 -0.000 0.000 0.196 12 D C 2.076 178.338 176.300 -0.063 0.000 0.992 12 D CA 1.632 55.595 54.000 -0.062 0.000 0.833 12 D CB -0.006 40.773 40.800 -0.036 0.000 0.954 12 D HN 0.552 nan 8.370 nan 0.000 0.455 13 E N -0.328 119.835 120.200 -0.061 0.000 2.047 13 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 13 E C 1.935 178.502 176.600 -0.054 0.000 0.987 13 E CA 0.389 56.763 56.400 -0.044 0.000 0.799 13 E CB -0.223 29.469 29.700 -0.014 0.000 0.752 13 E HN 0.235 nan 8.360 nan 0.000 0.449 14 F N 1.409 121.228 119.950 -0.219 0.000 2.126 14 F HA -0.187 4.340 4.527 -0.000 0.000 0.299 14 F C 1.783 177.495 175.800 -0.147 0.000 1.096 14 F CA 1.321 59.195 58.000 -0.210 0.000 1.255 14 F CB -0.092 38.648 39.000 -0.434 0.000 0.997 14 F HN -0.080 nan 8.300 nan 0.000 0.479 15 L N 0.062 121.161 121.223 -0.206 0.000 2.362 15 L HA -0.142 4.198 4.340 -0.000 0.000 0.219 15 L C 2.024 178.761 176.870 -0.222 0.000 1.134 15 L CA 1.049 55.753 54.840 -0.226 0.000 0.807 15 L CB -0.545 41.483 42.059 -0.053 0.000 0.927 15 L HN 0.122 nan 8.230 nan 0.000 0.447 16 K N -0.224 120.063 120.400 -0.189 0.000 2.365 16 K HA 0.119 4.439 4.320 -0.000 0.000 0.197 16 K C 0.570 177.069 176.600 -0.169 0.000 1.042 16 K CA 0.100 56.302 56.287 -0.142 0.000 0.987 16 K CB 0.176 32.620 32.500 -0.094 0.000 0.779 16 K HN 0.203 nan 8.250 nan 0.000 0.484 17 L N 2.833 123.903 121.223 -0.254 0.000 2.464 17 L HA 0.130 4.470 4.340 -0.000 0.000 0.264 17 L C -1.747 174.986 176.870 -0.228 0.000 1.199 17 L CA -1.870 52.827 54.840 -0.239 0.000 0.818 17 L CB -0.323 41.556 42.059 -0.299 0.000 1.102 17 L HN 0.021 nan 8.230 nan 0.000 0.473 18 P HA 0.150 nan 4.420 nan 0.000 0.276 18 P C -0.776 176.449 177.300 -0.125 0.000 1.244 18 P CA -0.555 62.473 63.100 -0.120 0.000 0.801 18 P CB 0.700 32.354 31.700 -0.077 0.000 1.006 19 E N 0.444 120.587 120.200 -0.094 0.000 2.404 19 E HA 0.196 4.546 4.350 -0.000 0.000 0.261 19 E C 0.325 176.901 176.600 -0.040 0.000 1.074 19 E CA 0.396 56.755 56.400 -0.067 0.000 0.917 19 E CB 0.684 30.357 29.700 -0.046 0.000 0.965 19 E HN 0.550 nan 8.360 nan 0.000 0.433 20 T N -0.883 113.661 114.554 -0.017 0.000 2.930 20 T HA 0.452 4.802 4.350 -0.000 0.000 0.290 20 T C -0.251 174.452 174.700 0.005 0.000 1.052 20 T CA -0.965 61.133 62.100 -0.003 0.000 1.017 20 T CB 2.189 71.062 68.868 0.010 0.000 1.137 20 T HN 0.151 nan 8.240 nan 0.000 0.511 21 E N 2.130 122.333 120.200 0.005 0.000 2.235 21 E HA 0.440 4.790 4.350 -0.000 0.000 0.252 21 E C -2.566 174.038 176.600 0.006 0.000 0.886 21 E CA -1.826 54.578 56.400 0.007 0.000 0.767 21 E CB 1.585 31.288 29.700 0.005 0.000 1.205 21 E HN 0.555 nan 8.360 nan 0.000 0.421 22 P HA 0.233 nan 4.420 nan 0.000 0.274 22 P C -0.702 176.611 177.300 0.021 0.000 1.246 22 P CA -0.470 62.636 63.100 0.010 0.000 0.795 22 P CB 0.574 32.274 31.700 -0.000 0.000 1.006 23 A N 1.363 124.200 122.820 0.029 0.000 2.466 23 A HA 0.314 4.634 4.320 -0.000 0.000 0.238 23 A C 0.277 177.903 177.584 0.070 0.000 1.074 23 A CA 0.249 52.315 52.037 0.047 0.000 0.774 23 A CB -0.390 18.641 19.000 0.051 0.000 1.015 23 A HN 0.479 nan 8.150 nan 0.000 0.498 24 S N 0.900 116.672 115.700 0.120 0.000 2.489 24 S HA 0.407 4.877 4.470 -0.000 0.000 0.291 24 S C -0.294 174.463 174.600 0.261 0.000 1.151 24 S CA -0.534 57.778 58.200 0.187 0.000 1.082 24 S CB 0.991 64.347 63.200 0.261 0.000 1.019 24 S HN 0.707 nan 8.310 nan 0.000 0.492 25 E N 1.072 121.334 120.200 0.103 0.000 2.212 25 E HA 0.280 4.630 4.350 -0.000 0.000 0.270 25 E C -1.555 174.865 176.600 -0.300 0.000 0.956 25 E CA -0.652 55.723 56.400 -0.041 0.000 0.825 25 E CB 1.715 31.370 29.700 -0.076 0.000 1.167 25 E HN 0.633 nan 8.360 nan 0.000 0.400 26 Y N 2.917 122.777 120.300 -0.734 0.000 2.478 26 Y HA 0.419 4.969 4.550 -0.000 0.000 0.329 26 Y C -1.253 174.240 175.900 -0.678 0.000 0.967 26 Y CA -0.506 57.034 58.100 -0.933 0.000 1.255 26 Y CB 0.287 37.814 38.460 -1.554 0.000 1.103 26 Y HN 0.363 nan 8.280 nan 0.000 0.497 27 I N 5.577 125.602 120.570 -0.909 0.000 2.447 27 I HA 0.245 4.415 4.170 -0.000 0.000 0.287 27 I C -0.232 175.314 176.117 -0.952 0.000 1.023 27 I CA -0.795 59.894 61.300 -1.018 0.000 1.083 27 I CB 1.844 39.481 38.000 -0.604 0.000 1.245 27 I HN 0.627 nan 8.210 nan 0.000 0.434 28 E N 4.246 123.822 120.200 -1.040 0.000 2.360 28 E HA -0.275 4.074 4.350 -0.000 0.000 0.238 28 E C 1.099 177.402 176.600 -0.496 0.000 1.186 28 E CA 0.640 56.737 56.400 -0.504 0.000 0.719 28 E CB -1.208 28.315 29.700 -0.294 0.000 1.236 28 E HN 1.234 nan 8.360 nan 0.000 0.386 29 G N -0.217 108.093 108.800 -0.817 0.000 2.184 29 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.264 29 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.264 29 G C 0.139 174.651 174.900 -0.646 0.000 0.975 29 G CA 0.893 45.563 45.100 -0.717 0.000 0.642 29 G HN 0.291 nan 8.290 nan 0.000 0.536 30 K N -0.187 119.800 120.400 -0.690 0.000 2.156 30 K HA 0.710 5.030 4.320 -0.000 0.000 0.254 30 K C 0.017 176.380 176.600 -0.395 0.000 0.950 30 K CA -0.923 55.128 56.287 -0.394 0.000 0.849 30 K CB 1.921 34.253 32.500 -0.280 0.000 1.100 30 K HN 0.168 nan 8.250 nan 0.000 0.434 31 I N 4.025 124.501 120.570 -0.158 0.000 2.304 31 I HA 0.282 4.452 4.170 -0.000 0.000 0.291 31 I C -0.477 175.607 176.117 -0.055 0.000 1.018 31 I CA -0.450 60.817 61.300 -0.055 0.000 1.260 31 I CB 0.473 38.561 38.000 0.147 0.000 1.390 31 I HN 0.347 nan 8.210 nan 0.000 0.475 32 I N 6.159 126.684 120.570 -0.075 0.000 2.447 32 I HA 0.274 4.444 4.170 -0.000 0.000 0.287 32 I C -0.136 175.975 176.117 -0.011 0.000 1.023 32 I CA -0.535 60.732 61.300 -0.054 0.000 1.083 32 I CB 1.753 39.697 38.000 -0.093 0.000 1.245 32 I HN 0.567 nan 8.210 nan 0.000 0.434 33 Q N 5.751 125.556 119.800 0.007 0.000 2.314 33 Q HA 0.274 4.614 4.340 -0.000 0.000 0.258 33 Q C -0.425 175.576 176.000 0.003 0.000 0.954 33 Q CA -0.418 55.397 55.803 0.020 0.000 0.890 33 Q CB 1.136 29.886 28.738 0.020 0.000 1.210 33 Q HN 0.469 nan 8.270 nan 0.000 0.410 34 K N 3.675 124.080 120.400 0.008 0.000 2.230 34 K HA 0.181 4.501 4.320 -0.000 0.000 0.253 34 K C -2.036 174.549 176.600 -0.024 0.000 1.008 34 K CA -1.242 55.041 56.287 -0.006 0.000 0.910 34 K CB 0.089 32.592 32.500 0.004 0.000 0.994 34 K HN 0.542 nan 8.250 nan 0.000 0.495 38 Q N 0.143 119.977 119.800 0.056 0.000 2.423 38 Q HA 0.544 4.884 4.340 -0.000 0.000 0.278 38 Q C 0.646 176.717 176.000 0.117 0.000 1.097 38 Q CA -0.159 55.689 55.803 0.075 0.000 0.809 38 Q CB 2.291 31.069 28.738 0.067 0.000 1.391 38 Q HN 0.647 nan 8.270 nan 0.000 0.428 39 G N 2.681 111.535 108.800 0.090 0.000 2.514 39 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.217 39 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.217 39 G C 1.079 176.044 174.900 0.109 0.000 1.198 39 G CA 1.173 46.325 45.100 0.087 0.000 0.780 39 G HN 0.711 nan 8.290 nan 0.000 0.565 40 K N -0.760 119.714 120.400 0.123 0.000 2.032 40 K HA -0.132 4.188 4.320 -0.000 0.000 0.209 40 K C 2.301 178.997 176.600 0.160 0.000 1.048 40 K CA 1.215 57.585 56.287 0.139 0.000 0.927 40 K CB -0.387 32.195 32.500 0.137 0.000 0.712 40 K HN 0.422 nan 8.250 nan 0.000 0.441 41 H N 0.523 119.650 119.070 0.094 0.000 2.290 41 H HA -0.092 4.464 4.556 0.000 0.000 0.298 41 H C 1.899 177.278 175.328 0.084 0.000 1.087 41 H CA 1.969 58.075 56.048 0.096 0.000 1.291 41 H CB 0.181 29.990 29.762 0.078 0.000 1.369 41 H HN 0.070 nan 8.280 nan 0.000 0.492 42 S N 0.382 116.170 115.700 0.146 0.000 2.382 42 S HA -0.115 4.355 4.470 -0.000 0.000 0.228 42 S C 2.445 177.052 174.600 0.012 0.000 1.027 42 S CA 0.912 59.157 58.200 0.076 0.000 0.991 42 S CB -0.384 62.872 63.200 0.094 0.000 0.823 42 S HN 0.619 nan 8.310 nan 0.000 0.469 43 A N 1.467 124.312 122.820 0.041 0.000 1.877 43 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 43 A C 2.086 179.693 177.584 0.039 0.000 1.186 43 A CA 1.243 53.304 52.037 0.040 0.000 0.620 43 A CB -0.683 18.370 19.000 0.089 0.000 0.822 43 A HN 0.478 nan 8.150 nan 0.000 0.443 44 I N -0.936 119.688 120.570 0.090 0.000 2.252 44 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 44 I C 2.838 178.976 176.117 0.034 0.000 1.102 44 I CA 1.649 63.058 61.300 0.183 0.000 1.385 44 I CB -0.355 37.745 38.000 0.166 0.000 1.064 44 I HN 0.523 nan 8.210 nan 0.000 0.414 45 Q N 0.827 120.568 119.800 -0.099 0.000 2.020 45 Q HA -0.237 4.102 4.340 -0.000 0.000 0.202 45 Q C 2.396 178.323 176.000 -0.122 0.000 0.982 45 Q CA 2.693 58.416 55.803 -0.132 0.000 0.838 45 Q CB -0.007 28.616 28.738 -0.191 0.000 0.899 45 Q HN 0.586 nan 8.270 nan 0.000 0.423 46 S N -0.191 115.436 115.700 -0.122 0.000 2.368 46 S HA -0.194 4.276 4.470 -0.000 0.000 0.225 46 S C 1.811 176.261 174.600 -0.249 0.000 1.030 46 S CA 1.354 59.468 58.200 -0.143 0.000 0.999 46 S CB -0.375 62.760 63.200 -0.107 0.000 0.844 46 S HN 0.363 nan 8.310 nan 0.000 0.459 47 E N 0.763 120.732 120.200 -0.384 0.000 2.106 47 E HA -0.041 4.309 4.350 -0.000 0.000 0.192 47 E C 2.155 178.253 176.600 -0.836 0.000 0.984 47 E CA 0.970 56.922 56.400 -0.746 0.000 0.806 47 E CB -0.922 28.021 29.700 -1.261 0.000 0.750 47 E HN 0.594 nan 8.360 nan 0.000 0.458 48 C N -0.846 118.126 119.300 -0.547 0.000 2.429 48 C HA -0.068 4.392 4.460 -0.000 0.000 0.277 48 C C 2.548 177.424 174.990 -0.189 0.000 1.262 48 C CA 1.010 59.908 59.018 -0.199 0.000 1.733 48 C CB -0.910 26.881 27.740 0.086 0.000 2.010 48 C HN 0.324 nan 8.230 nan 0.000 0.483 49 V N 0.171 119.966 119.914 -0.197 0.000 2.343 49 V HA -0.168 3.952 4.120 -0.000 0.000 0.247 49 V C 2.692 178.687 176.094 -0.165 0.000 1.051 49 V CA 2.375 64.569 62.300 -0.176 0.000 1.036 49 V CB -1.087 30.650 31.823 -0.142 0.000 0.654 49 V HN 0.688 nan 8.190 nan 0.000 0.451 50 S N -0.261 115.324 115.700 -0.192 0.000 2.356 50 S HA -0.170 4.300 4.470 -0.000 0.000 0.223 50 S C 1.996 176.514 174.600 -0.137 0.000 1.032 50 S CA 1.979 60.079 58.200 -0.168 0.000 1.005 50 S CB -0.206 62.869 63.200 -0.209 0.000 0.867 50 S HN 0.314 nan 8.310 nan 0.000 0.449 51 V N 1.902 121.717 119.914 -0.165 0.000 2.307 51 V HA -0.121 3.999 4.120 -0.000 0.000 0.245 51 V C 2.312 178.405 176.094 -0.002 0.000 1.045 51 V CA 1.935 64.200 62.300 -0.059 0.000 1.024 51 V CB -0.639 31.188 31.823 0.007 0.000 0.651 51 V HN 0.500 nan 8.190 nan 0.000 0.449 52 I N 0.410 120.967 120.570 -0.022 0.000 2.163 52 I HA -0.246 3.924 4.170 -0.000 0.000 0.243 52 I C 2.384 178.512 176.117 0.018 0.000 1.085 52 I CA 1.592 62.896 61.300 0.007 0.000 1.347 52 I CB -0.537 37.400 38.000 -0.105 0.000 1.044 52 I HN 0.333 nan 8.210 nan 0.000 0.408 53 N N 0.542 119.224 118.700 -0.031 0.000 2.223 53 N HA -0.151 4.589 4.740 -0.000 0.000 0.185 53 N C 2.058 177.569 175.510 0.001 0.000 1.016 53 N CA 1.736 54.775 53.050 -0.017 0.000 0.863 53 N CB -0.365 38.086 38.487 -0.060 0.000 0.983 53 N HN 0.423 nan 8.380 nan 0.000 0.429 54 S N -0.322 115.372 115.700 -0.011 0.000 2.419 54 S HA -0.060 4.409 4.470 -0.000 0.000 0.233 54 S C 2.045 176.651 174.600 0.011 0.000 1.016 54 S CA 0.997 59.194 58.200 -0.004 0.000 0.974 54 S CB -0.468 62.725 63.200 -0.010 0.000 0.786 54 S HN 0.040 nan 8.310 nan 0.000 0.492 55 V N 1.561 121.490 119.914 0.026 0.000 2.500 55 V HA 0.021 4.141 4.120 -0.000 0.000 0.243 55 V C 2.622 178.748 176.094 0.054 0.000 1.039 55 V CA 1.239 63.558 62.300 0.032 0.000 1.053 55 V CB 0.086 31.929 31.823 0.033 0.000 0.695 55 V HN 0.643 nan 8.190 nan 0.000 0.463 56 V N -2.905 117.064 119.914 0.092 0.000 3.431 56 V HA 0.187 4.307 4.120 -0.000 0.000 0.253 56 V C 2.072 178.222 176.094 0.093 0.000 1.184 56 V CA 0.928 63.309 62.300 0.135 0.000 1.104 56 V CB -0.208 31.776 31.823 0.268 0.000 0.799 56 V HN 0.345 nan 8.190 nan 0.000 0.462 57 K N 0.904 121.349 120.400 0.076 0.000 2.076 57 K HA 0.064 4.384 4.320 -0.000 0.000 0.204 57 K C -0.114 176.460 176.600 -0.043 0.000 1.051 57 K CA 1.464 57.798 56.287 0.078 0.000 0.949 57 K CB -0.958 31.596 32.500 0.091 0.000 0.726 57 K HN 0.445 nan 8.250 nan 0.000 0.443 58 P HA -0.163 nan 4.420 nan 0.000 0.216 58 P C 0.290 177.509 177.300 -0.135 0.000 1.153 58 P CA 1.447 64.505 63.100 -0.070 0.000 0.858 58 P CB 0.093 31.768 31.700 -0.041 0.000 0.789 59 Q N -1.298 118.415 119.800 -0.145 0.000 2.222 59 Q HA 0.200 4.540 4.340 -0.000 0.000 0.206 59 Q C -0.258 175.538 176.000 -0.340 0.000 0.877 59 Q CA -0.235 55.456 55.803 -0.186 0.000 0.958 59 Q CB -0.088 28.584 28.738 -0.110 0.000 1.075 59 Q HN 0.106 nan 8.270 nan 0.000 0.483 60 R N -0.091 120.072 120.500 -0.562 0.000 3.333 60 R HA -0.238 4.102 4.340 -0.000 0.000 0.256 60 R C 0.341 176.238 176.300 -0.671 0.000 1.010 60 R CA 0.277 55.606 56.100 -1.285 0.000 0.680 60 R CB -2.180 27.082 30.300 -1.731 0.000 1.102 60 R HN 0.419 nan 8.270 nan 0.000 0.440 61 I N -0.457 120.003 120.570 -0.183 0.000 2.296 61 I HA -0.013 4.157 4.170 -0.000 0.000 0.242 61 I C 1.261 177.502 176.117 0.207 0.000 1.087 61 I CA 1.514 62.839 61.300 0.042 0.000 1.393 61 I CB 0.057 38.116 38.000 0.099 0.000 1.093 61 I HN 0.465 nan 8.210 nan 0.000 0.421 62 A N -0.029 122.989 122.820 0.330 0.000 2.557 62 A HA 0.782 5.102 4.320 -0.000 0.000 0.292 62 A C -1.024 176.781 177.584 0.369 0.000 1.139 62 A CA -0.549 51.672 52.037 0.306 0.000 0.665 62 A CB 1.487 20.482 19.000 -0.009 0.000 1.285 62 A HN 0.107 nan 8.150 nan 0.000 0.433 63 R N -0.305 120.281 120.500 0.143 0.000 2.564 63 R HA 0.655 4.995 4.340 -0.000 0.000 0.284 63 R C -0.931 175.166 176.300 -0.338 0.000 1.031 63 R CA -0.086 55.927 56.100 -0.145 0.000 0.904 63 R CB 1.922 31.978 30.300 -0.406 0.000 1.199 63 R HN 1.434 nan 8.270 nan 0.000 0.443 64 A N 4.480 127.080 122.820 -0.368 0.000 2.290 64 A HA 0.639 4.959 4.320 -0.000 0.000 0.310 64 A C -1.223 176.072 177.584 -0.482 0.000 1.202 64 A CA -0.298 51.557 52.037 -0.304 0.000 0.837 64 A CB 0.218 19.090 19.000 -0.213 0.000 1.139 64 A HN 0.546 nan 8.150 nan 0.000 0.509 65 F N 1.412 121.344 119.950 -0.029 0.000 2.520 65 F HA 0.479 5.006 4.527 -0.000 0.000 0.322 65 F C 0.062 175.823 175.800 -0.065 0.000 1.103 65 F CA -0.594 57.373 58.000 -0.055 0.000 0.926 65 F CB 1.799 40.742 39.000 -0.096 0.000 1.154 65 F HN 0.353 nan 8.300 nan 0.000 0.453 66 L N 3.401 124.692 121.223 0.114 0.000 2.331 66 L HA 0.261 4.601 4.340 -0.000 0.000 0.278 66 L C 0.214 177.120 176.870 0.060 0.000 1.106 66 L CA -0.329 54.545 54.840 0.056 0.000 0.824 66 L CB 0.527 42.604 42.059 0.029 0.000 1.142 66 L HN 0.634 nan 8.230 nan 0.000 0.443 67 E N 2.090 122.322 120.200 0.053 0.000 2.269 67 E HA -0.250 4.100 4.350 -0.000 0.000 0.223 67 E C -0.707 175.898 176.600 0.007 0.000 1.244 67 E CA 0.501 56.926 56.400 0.042 0.000 0.713 67 E CB -1.211 28.515 29.700 0.043 0.000 1.178 67 E HN 0.297 nan 8.360 nan 0.000 0.370 68 L N 0.135 121.347 121.223 -0.019 0.000 2.289 68 L HA 0.309 4.649 4.340 -0.000 0.000 0.285 68 L C 0.605 177.429 176.870 -0.077 0.000 1.049 68 L CA -0.346 54.411 54.840 -0.138 0.000 0.804 68 L CB 1.019 42.874 42.059 -0.339 0.000 1.195 68 L HN 0.156 nan 8.230 nan 0.000 0.428 69 R N 4.296 124.755 120.500 -0.069 0.000 2.347 69 R HA 0.354 4.694 4.340 -0.000 0.000 0.304 69 R C -1.441 174.906 176.300 0.078 0.000 1.072 69 R CA -0.239 55.879 56.100 0.029 0.000 0.980 69 R CB 0.162 30.492 30.300 0.051 0.000 0.986 69 R HN 0.785 nan 8.270 nan 0.000 0.448 70 C N 3.713 123.124 119.300 0.186 0.000 2.322 70 C HA 0.381 4.841 4.460 -0.000 0.000 0.324 70 C C -0.473 174.701 174.990 0.308 0.000 1.249 70 C CA -0.562 58.676 59.018 0.367 0.000 1.453 70 C CB 1.296 29.373 27.740 0.562 0.000 2.145 70 C HN 0.755 nan 8.230 nan 0.000 0.466 71 T N 4.740 119.481 114.554 0.312 0.000 2.788 71 T HA 0.743 5.093 4.350 -0.000 0.000 0.296 71 T C -0.616 174.236 174.700 0.252 0.000 1.009 71 T CA -0.146 62.047 62.100 0.155 0.000 0.949 71 T CB 0.234 69.181 68.868 0.132 0.000 0.946 71 T HN 0.628 nan 8.240 nan 0.000 0.453 72 F N -1.433 118.564 119.950 0.078 0.000 2.744 72 F HA 0.623 5.150 4.527 0.000 0.000 0.311 72 F C 0.514 176.242 175.800 -0.120 0.000 1.144 72 F CA -1.040 56.940 58.000 -0.033 0.000 0.938 72 F CB 0.528 39.490 39.000 -0.063 0.000 1.292 72 F HN 0.630 nan 8.300 nan 0.000 0.444 73 G N 1.934 110.629 108.800 -0.174 0.000 2.356 73 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.296 73 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.296 73 G C 0.290 175.158 174.900 -0.054 0.000 1.022 73 G CA 1.316 46.225 45.100 -0.317 0.000 0.961 73 G HN 1.766 nan 8.290 nan 0.000 0.510 74 D N -2.000 118.418 120.400 0.029 0.000 3.076 74 D HA -0.170 4.470 4.640 -0.000 0.000 0.218 74 D C 0.295 176.774 176.300 0.298 0.000 1.156 74 D CA 2.081 56.168 54.000 0.145 0.000 0.921 74 D CB -1.577 39.329 40.800 0.177 0.000 1.113 74 D HN 0.944 nan 8.370 nan 0.000 0.418 75 H N -0.880 118.107 119.070 -0.138 0.000 2.679 75 H HA 0.595 5.151 4.556 0.000 0.000 0.367 75 H C -0.766 174.427 175.328 -0.226 0.000 1.162 75 H CA -0.897 55.006 56.048 -0.242 0.000 1.181 75 H CB 2.080 31.464 29.762 -0.630 0.000 1.693 75 H HN -0.057 nan 8.280 nan 0.000 0.538 76 S N 1.827 117.497 115.700 -0.051 0.000 2.745 76 S HA 0.251 4.720 4.470 -0.000 0.000 0.283 76 S C -0.615 173.969 174.600 -0.026 0.000 1.170 76 S CA -0.693 57.499 58.200 -0.013 0.000 1.119 76 S CB 0.158 63.438 63.200 0.132 0.000 1.035 76 S HN 0.740 nan 8.310 nan 0.000 0.483 77 T N 0.503 115.050 114.554 -0.011 0.000 2.942 77 T HA 0.762 5.112 4.350 -0.000 0.000 0.289 77 T C -0.621 174.129 174.700 0.083 0.000 1.044 77 T CA -0.818 61.295 62.100 0.021 0.000 1.023 77 T CB 1.545 70.421 68.868 0.013 0.000 1.123 77 T HN 0.315 nan 8.240 nan 0.000 0.512 78 V N 2.105 122.065 119.914 0.077 0.000 2.315 78 V HA 0.358 4.478 4.120 -0.000 0.000 0.265 78 V C -2.636 173.507 176.094 0.083 0.000 1.019 78 V CA -1.766 60.581 62.300 0.078 0.000 0.824 78 V CB 0.296 32.159 31.823 0.067 0.000 1.072 78 V HN 0.756 nan 8.190 nan 0.000 0.448 79 P HA 0.119 nan 4.420 nan 0.000 0.267 79 P C 0.594 177.946 177.300 0.088 0.000 1.200 79 P CA 0.097 63.256 63.100 0.098 0.000 0.772 79 P CB 0.888 32.648 31.700 0.099 0.000 0.855 80 D N 1.173 121.637 120.400 0.106 0.000 2.133 80 D HA -0.101 4.539 4.640 -0.000 0.000 0.195 80 D C 0.717 177.047 176.300 0.051 0.000 0.997 80 D CA 1.797 55.866 54.000 0.115 0.000 0.840 80 D CB -0.048 40.851 40.800 0.164 0.000 0.947 80 D HN 0.356 nan 8.370 nan 0.000 0.452 81 I N -0.406 120.169 120.570 0.008 0.000 2.569 81 I HA 0.167 4.337 4.170 -0.000 0.000 0.290 81 I C -0.706 175.371 176.117 -0.068 0.000 1.088 81 I CA -0.411 60.857 61.300 -0.053 0.000 1.047 81 I CB 2.535 40.442 38.000 -0.155 0.000 1.237 81 I HN -0.377 nan 8.210 nan 0.000 0.421 82 S N 4.509 120.214 115.700 0.008 0.000 2.478 82 S HA 0.666 5.136 4.470 -0.000 0.000 0.312 82 S C -0.521 174.124 174.600 0.075 0.000 1.094 82 S CA -0.607 57.607 58.200 0.023 0.000 1.081 82 S CB 1.949 65.255 63.200 0.176 0.000 1.007 82 S HN 0.292 nan 8.310 nan 0.000 0.475 83 V N 4.273 124.141 119.914 -0.077 0.000 2.448 83 V HA 0.583 4.703 4.120 -0.000 0.000 0.295 83 V C -1.131 174.944 176.094 -0.033 0.000 1.025 83 V CA -0.603 61.733 62.300 0.061 0.000 0.859 83 V CB 0.802 32.711 31.823 0.142 0.000 0.988 83 V HN 0.780 nan 8.190 nan 0.000 0.431 84 F N 4.367 124.416 119.950 0.165 0.000 2.507 84 F HA 0.632 5.159 4.527 -0.000 0.000 0.325 84 F C 0.494 176.243 175.800 -0.085 0.000 1.116 84 F CA -0.916 57.135 58.000 0.086 0.000 0.930 84 F CB 1.773 40.915 39.000 0.236 0.000 1.146 84 F HN 0.515 nan 8.300 nan 0.000 0.447 85 I N 0.371 120.882 120.570 -0.098 0.000 2.836 85 I HA -0.040 4.130 4.170 -0.000 0.000 0.285 85 I C 1.121 177.287 176.117 0.082 0.000 1.174 85 I CA -0.349 60.837 61.300 -0.189 0.000 1.405 85 I CB 0.948 38.764 38.000 -0.306 0.000 1.385 85 I HN 0.792 nan 8.210 nan 0.000 0.594 86 W N 3.190 124.458 121.300 -0.052 0.000 2.318 86 W HA -0.256 4.404 4.660 0.000 0.000 0.313 86 W C 2.673 179.194 176.519 0.003 0.000 1.221 86 W CA 2.569 59.915 57.345 0.002 0.000 1.266 86 W CB -0.233 29.223 29.460 -0.007 0.000 1.150 86 W HN 0.897 nan 8.180 nan 0.000 0.496 87 S N 0.206 116.009 115.700 0.171 0.000 2.442 87 S HA -0.140 4.330 4.470 -0.000 0.000 0.236 87 S C 1.564 176.168 174.600 0.006 0.000 1.007 87 S CA 0.895 59.144 58.200 0.080 0.000 0.965 87 S CB -0.483 62.760 63.200 0.071 0.000 0.773 87 S HN 0.324 nan 8.310 nan 0.000 0.504 88 R N 0.065 120.572 120.500 0.012 0.000 2.334 88 R HA 0.406 4.745 4.340 -0.000 0.000 0.216 88 R C -0.221 176.015 176.300 -0.107 0.000 0.905 88 R CA -0.100 56.006 56.100 0.010 0.000 1.064 88 R CB 0.022 30.403 30.300 0.136 0.000 1.046 88 R HN 0.436 nan 8.270 nan 0.000 0.508 89 I N 4.515 124.969 120.570 -0.194 0.000 2.494 89 I HA 0.055 4.224 4.170 -0.000 0.000 0.289 89 I C -1.880 173.937 176.117 -0.500 0.000 1.106 89 I CA -1.795 59.270 61.300 -0.392 0.000 1.369 89 I CB 0.549 38.328 38.000 -0.369 0.000 1.410 89 I HN -0.219 nan 8.210 nan 0.000 0.523 90 P HA 0.179 nan 4.420 nan 0.000 0.271 90 P C -0.803 176.215 177.300 -0.469 0.000 1.220 90 P CA -0.057 62.680 63.100 -0.605 0.000 0.768 90 P CB 0.642 31.875 31.700 -0.779 0.000 0.848 91 R N 1.842 122.169 120.500 -0.289 0.000 2.750 91 R HA 0.362 4.702 4.340 -0.000 0.000 0.281 91 R C 0.246 176.461 176.300 -0.142 0.000 0.972 91 R CA -0.883 55.100 56.100 -0.196 0.000 0.912 91 R CB 2.077 32.291 30.300 -0.144 0.000 1.187 91 R HN 0.485 nan 8.270 nan 0.000 0.464 92 E N 0.911 121.047 120.200 -0.106 0.000 2.369 92 E HA 0.065 4.415 4.350 -0.000 0.000 0.255 92 E C 1.293 177.860 176.600 -0.055 0.000 1.172 92 E CA 0.258 56.613 56.400 -0.076 0.000 0.932 92 E CB 0.533 30.198 29.700 -0.059 0.000 1.040 92 E HN 0.761 nan 8.360 nan 0.000 0.454 93 E N 1.592 121.766 120.200 -0.042 0.000 2.118 93 E HA -0.264 4.086 4.350 -0.000 0.000 0.195 93 E C 1.361 177.949 176.600 -0.020 0.000 0.992 93 E CA 1.995 58.377 56.400 -0.030 0.000 0.804 93 E CB -1.085 28.600 29.700 -0.025 0.000 0.741 93 E HN 0.622 nan 8.360 nan 0.000 0.458 94 N N -0.966 117.723 118.700 -0.019 0.000 2.550 94 N HA 0.215 4.955 4.740 -0.000 0.000 0.186 94 N C 1.593 177.101 175.510 -0.004 0.000 1.110 94 N CA 1.318 54.363 53.050 -0.009 0.000 0.912 94 N CB 0.344 38.826 38.487 -0.008 0.000 0.968 94 N HN 0.879 nan 8.380 nan 0.000 0.448 95 G N -0.302 108.491 108.800 -0.012 0.000 2.194 95 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.236 95 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.236 95 G C -0.188 174.706 174.900 -0.009 0.000 0.987 95 G CA 0.236 45.334 45.100 -0.004 0.000 0.635 95 G HN 0.818 nan 8.290 nan 0.000 0.520 96 E N 0.796 120.986 120.200 -0.016 0.000 2.374 96 E HA 0.576 4.926 4.350 -0.000 0.000 0.260 96 E C 0.521 177.091 176.600 -0.051 0.000 1.101 96 E CA -0.975 55.416 56.400 -0.015 0.000 0.907 96 E CB 0.976 30.673 29.700 -0.005 0.000 1.014 96 E HN 0.373 nan 8.360 nan 0.000 0.427 97 I N 1.801 122.344 120.570 -0.045 0.000 2.710 97 I HA 0.044 4.214 4.170 -0.000 0.000 0.286 97 I C 0.734 176.801 176.117 -0.083 0.000 1.181 97 I CA -0.136 61.115 61.300 -0.082 0.000 1.430 97 I CB 0.585 38.584 38.000 -0.003 0.000 1.367 97 I HN 0.651 nan 8.210 nan 0.000 0.577 98 A N 5.125 127.843 122.820 -0.171 0.000 2.406 98 A HA 0.095 4.415 4.320 -0.000 0.000 0.243 98 A C 0.806 178.362 177.584 -0.046 0.000 1.082 98 A CA -0.106 51.838 52.037 -0.154 0.000 0.786 98 A CB -0.049 18.783 19.000 -0.281 0.000 1.029 98 A HN 0.880 nan 8.150 nan 0.000 0.495 99 N N -0.440 118.244 118.700 -0.026 0.000 2.354 99 N HA 0.065 4.805 4.740 -0.000 0.000 0.179 99 N C -0.139 175.412 175.510 0.068 0.000 1.021 99 N CA 0.538 53.597 53.050 0.016 0.000 0.887 99 N CB 0.109 38.591 38.487 -0.009 0.000 0.974 99 N HN 0.538 nan 8.380 nan 0.000 0.437 100 I N 0.605 121.202 120.570 0.045 0.000 2.441 100 I HA 0.275 4.445 4.170 -0.000 0.000 0.295 100 I C -1.002 175.165 176.117 0.084 0.000 0.994 100 I CA -0.566 60.781 61.300 0.080 0.000 1.144 100 I CB 0.951 38.958 38.000 0.012 0.000 1.314 100 I HN -0.119 nan 8.210 nan 0.000 0.445 101 F N 5.910 125.790 119.950 -0.118 0.000 2.403 101 F HA 0.412 4.939 4.527 -0.000 0.000 0.355 101 F C 0.620 176.427 175.800 0.011 0.000 1.119 101 F CA -0.483 57.437 58.000 -0.133 0.000 1.007 101 F CB 1.288 40.152 39.000 -0.227 0.000 1.194 101 F HN 0.243 nan 8.300 nan 0.000 0.443 102 L N 5.653 126.943 121.223 0.112 0.000 2.848 102 L HA 0.396 4.736 4.340 -0.000 0.000 0.240 102 L C -0.271 176.716 176.870 0.194 0.000 1.232 102 L CA 0.091 55.023 54.840 0.154 0.000 1.031 102 L CB -0.512 41.588 42.059 0.068 0.000 1.338 102 L HN 0.454 nan 8.230 nan 0.000 0.509 103 I N -4.201 116.508 120.570 0.233 0.000 3.074 103 I HA 0.825 4.995 4.170 -0.000 0.000 0.310 103 I C -0.110 176.002 176.117 -0.008 0.000 1.153 103 I CA -1.128 60.237 61.300 0.108 0.000 0.993 103 I CB 1.706 39.767 38.000 0.102 0.000 1.237 103 I HN -0.153 nan 8.210 nan 0.000 0.443 104 A N 3.147 125.608 122.820 -0.598 0.000 2.388 104 A HA 0.727 5.047 4.320 -0.000 0.000 0.257 104 A C -2.471 174.927 177.584 -0.311 0.000 1.095 104 A CA -1.324 50.175 52.037 -0.897 0.000 0.791 104 A CB -0.602 17.749 19.000 -1.082 0.000 1.029 104 A HN 0.598 nan 8.150 nan 0.000 0.489 105 P HA 0.101 nan 4.420 nan 0.000 0.272 105 P C 0.049 177.069 177.300 -0.466 0.000 1.230 105 P CA -0.256 62.261 63.100 -0.972 0.000 0.788 105 P CB 0.576 31.908 31.700 -0.613 0.000 0.949 106 D N -0.804 119.357 120.400 -0.398 0.000 2.183 106 D HA -0.056 4.584 4.640 -0.000 0.000 0.203 106 D C -0.167 176.246 176.300 0.188 0.000 0.969 106 D CA 1.481 55.465 54.000 -0.026 0.000 0.842 106 D CB 0.219 41.028 40.800 0.014 0.000 0.957 106 D HN 0.372 nan 8.370 nan 0.000 0.484 107 W N 1.362 122.615 121.300 -0.079 0.000 2.884 107 W HA 0.296 4.956 4.660 -0.000 0.000 0.336 107 W C -1.285 175.174 176.519 -0.100 0.000 1.038 107 W CA -1.049 56.260 57.345 -0.060 0.000 1.247 107 W CB 0.904 30.345 29.460 -0.031 0.000 1.351 107 W HN -0.463 nan 8.180 nan 0.000 0.446 108 T N 7.058 121.716 114.554 0.173 0.000 2.824 108 T HA 0.752 5.102 4.350 -0.000 0.000 0.280 108 T C -0.757 173.949 174.700 0.010 0.000 0.995 108 T CA -0.310 61.807 62.100 0.029 0.000 1.009 108 T CB 0.316 69.245 68.868 0.102 0.000 0.955 108 T HN 0.283 nan 8.240 nan 0.000 0.452 109 I N 4.454 124.974 120.570 -0.083 0.000 2.447 109 I HA 0.437 4.607 4.170 -0.000 0.000 0.287 109 I C -0.247 175.938 176.117 0.113 0.000 1.023 109 I CA -0.799 60.521 61.300 0.032 0.000 1.083 109 I CB 1.841 39.750 38.000 -0.150 0.000 1.245 109 I HN 0.455 nan 8.210 nan 0.000 0.434 110 E N 7.085 127.410 120.200 0.209 0.000 2.187 110 E HA 0.590 4.940 4.350 -0.000 0.000 0.268 110 E C -0.952 175.791 176.600 0.238 0.000 0.896 110 E CA -0.653 55.869 56.400 0.204 0.000 0.766 110 E CB 3.131 32.943 29.700 0.186 0.000 1.142 110 E HN 0.428 nan 8.360 nan 0.000 0.408 111 I N 3.142 123.861 120.570 0.247 0.000 2.389 111 I HA 0.242 4.412 4.170 -0.000 0.000 0.288 111 I C 0.175 176.505 176.117 0.354 0.000 0.999 111 I CA -0.583 60.865 61.300 0.247 0.000 1.129 111 I CB 1.234 39.257 38.000 0.038 0.000 1.288 111 I HN 0.232 nan 8.210 nan 0.000 0.444 112 L N 5.428 126.820 121.223 0.282 0.000 2.461 112 L HA 0.347 4.687 4.340 -0.000 0.000 0.272 112 L C 0.428 177.451 176.870 0.255 0.000 1.197 112 L CA 0.168 55.147 54.840 0.231 0.000 0.836 112 L CB 0.681 42.849 42.059 0.182 0.000 1.105 112 L HN 0.757 nan 8.230 nan 0.000 0.477 113 S N 0.490 116.278 115.700 0.147 0.000 2.588 113 S HA 0.494 4.964 4.470 -0.000 0.000 0.275 113 S C -2.229 172.401 174.600 0.051 0.000 1.130 113 S CA -1.272 56.985 58.200 0.094 0.000 0.855 113 S CB 1.879 65.063 63.200 -0.026 0.000 1.116 113 S HN 0.317 nan 8.310 nan 0.000 0.472 114 P HA -0.107 nan 4.420 nan 0.000 0.217 114 P C 0.319 177.630 177.300 0.018 0.000 1.151 114 P CA 1.399 64.518 63.100 0.031 0.000 0.849 114 P CB -0.038 31.678 31.700 0.027 0.000 0.787 115 D N -2.006 118.395 120.400 0.003 0.000 2.339 115 D HA 0.011 4.651 4.640 -0.000 0.000 0.217 115 D C 0.827 177.124 176.300 -0.006 0.000 1.050 115 D CA 0.331 54.329 54.000 -0.004 0.000 0.856 115 D CB -0.148 40.645 40.800 -0.013 0.000 0.922 115 D HN 0.202 nan 8.370 nan 0.000 0.518 116 Q N 0.881 120.681 119.800 -0.001 0.000 2.327 116 Q HA 0.121 4.461 4.340 -0.000 0.000 0.254 116 Q C -0.324 175.687 176.000 0.018 0.000 0.952 116 Q CA -0.147 55.659 55.803 0.006 0.000 0.884 116 Q CB 1.048 29.799 28.738 0.022 0.000 1.224 116 Q HN -0.123 nan 8.270 nan 0.000 0.422 117 S N 3.002 118.709 115.700 0.012 0.000 2.416 117 S HA 0.081 4.551 4.470 -0.000 0.000 0.287 117 S C 0.705 175.320 174.600 0.026 0.000 1.139 117 S CA -0.302 57.905 58.200 0.012 0.000 1.058 117 S CB 0.600 63.796 63.200 -0.006 0.000 0.967 117 S HN 0.838 nan 8.310 nan 0.000 0.495 118 Q N 3.618 123.442 119.800 0.040 0.000 2.170 118 Q HA -0.110 4.229 4.340 -0.000 0.000 0.203 118 Q C 1.541 177.560 176.000 0.031 0.000 0.976 118 Q CA 2.032 57.869 55.803 0.056 0.000 0.858 118 Q CB -0.242 28.539 28.738 0.073 0.000 0.907 118 Q HN 0.833 nan 8.270 nan 0.000 0.433 119 T N 0.690 115.252 114.554 0.014 0.000 2.708 119 T HA -0.172 4.178 4.350 -0.000 0.000 0.266 119 T C 1.590 176.286 174.700 -0.008 0.000 1.037 119 T CA 1.512 63.612 62.100 -0.000 0.000 1.146 119 T CB -0.178 68.687 68.868 -0.005 0.000 0.865 119 T HN 0.318 nan 8.240 nan 0.000 0.435 120 K N 0.758 121.151 120.400 -0.012 0.000 2.032 120 K HA -0.109 4.211 4.320 -0.000 0.000 0.209 120 K C 2.223 178.816 176.600 -0.011 0.000 1.048 120 K CA 1.260 57.532 56.287 -0.026 0.000 0.927 120 K CB -0.385 32.094 32.500 -0.036 0.000 0.712 120 K HN 0.139 nan 8.250 nan 0.000 0.441 121 V N 1.145 121.065 119.914 0.009 0.000 2.343 121 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 121 V C 2.235 178.323 176.094 -0.010 0.000 1.051 121 V CA 2.341 64.656 62.300 0.025 0.000 1.036 121 V CB -0.608 31.255 31.823 0.065 0.000 0.654 121 V HN 0.508 nan 8.190 nan 0.000 0.451 122 T N -0.479 114.058 114.554 -0.028 0.000 2.746 122 T HA -0.208 4.142 4.350 -0.000 0.000 0.267 122 T C 1.927 176.576 174.700 -0.086 0.000 1.039 122 T CA 1.521 63.559 62.100 -0.102 0.000 1.142 122 T CB -0.214 68.629 68.868 -0.042 0.000 0.866 122 T HN 0.471 nan 8.240 nan 0.000 0.444 123 K N 1.003 121.390 120.400 -0.022 0.000 2.063 123 K HA -0.091 4.229 4.320 -0.000 0.000 0.208 123 K C 2.315 178.954 176.600 0.064 0.000 1.048 123 K CA 1.301 57.600 56.287 0.019 0.000 0.928 123 K CB -0.177 32.330 32.500 0.012 0.000 0.713 123 K HN 0.176 nan 8.250 nan 0.000 0.442 124 N N 1.102 119.831 118.700 0.048 0.000 2.120 124 N HA -0.120 4.620 4.740 -0.000 0.000 0.188 124 N C 1.837 177.429 175.510 0.135 0.000 1.024 124 N CA 1.125 54.239 53.050 0.106 0.000 0.852 124 N CB -0.211 38.316 38.487 0.067 0.000 1.003 124 N HN 0.170 nan 8.380 nan 0.000 0.424 125 I N 0.722 121.302 120.570 0.017 0.000 2.252 125 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 125 I C 1.927 178.036 176.117 -0.014 0.000 1.102 125 I CA 0.806 62.080 61.300 -0.044 0.000 1.385 125 I CB -0.188 37.633 38.000 -0.299 0.000 1.064 125 I HN 0.054 nan 8.210 nan 0.000 0.414 126 L N -0.313 120.889 121.223 -0.036 0.000 2.141 126 L HA -0.237 4.103 4.340 -0.000 0.000 0.209 126 L C 2.644 179.590 176.870 0.127 0.000 1.094 126 L CA 1.266 56.130 54.840 0.039 0.000 0.763 126 L CB -0.818 41.265 42.059 0.040 0.000 0.908 126 L HN 0.322 nan 8.230 nan 0.000 0.437 127 H N -0.757 118.375 119.070 0.104 0.000 2.389 127 H HA -0.159 4.397 4.556 0.000 0.000 0.299 127 H C 2.329 177.874 175.328 0.362 0.000 1.081 127 H CA 1.875 58.032 56.048 0.181 0.000 1.345 127 H CB -0.122 29.705 29.762 0.108 0.000 1.393 127 H HN 0.278 nan 8.280 nan 0.000 0.520 128 C N -0.111 119.394 119.300 0.342 0.000 2.413 128 C HA -0.122 4.337 4.460 -0.000 0.000 0.276 128 C C 2.763 177.813 174.990 0.100 0.000 1.236 128 C CA 0.932 60.125 59.018 0.292 0.000 1.735 128 C CB -1.152 26.735 27.740 0.244 0.000 2.031 128 C HN 0.520 nan 8.230 nan 0.000 0.474 129 L N 0.808 122.081 121.223 0.082 0.000 2.131 129 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 129 L C 2.470 179.323 176.870 -0.027 0.000 1.092 129 L CA 1.699 56.564 54.840 0.042 0.000 0.759 129 L CB -0.596 41.510 42.059 0.078 0.000 0.903 129 L HN 0.292 nan 8.230 nan 0.000 0.435 130 K N -1.200 119.154 120.400 -0.077 0.000 2.366 130 K HA -0.001 4.319 4.320 -0.000 0.000 0.198 130 K C 0.715 177.008 176.600 -0.512 0.000 1.044 130 K CA 0.693 56.827 56.287 -0.256 0.000 0.973 130 K CB 0.012 32.343 32.500 -0.282 0.000 0.767 130 K HN 0.481 nan 8.250 nan 0.000 0.475 131 H N -0.940 118.056 119.070 -0.123 0.000 2.475 131 H HA 0.171 4.727 4.556 -0.000 0.000 0.276 131 H C 0.833 176.052 175.328 -0.182 0.000 1.126 131 H CA 0.586 56.546 56.048 -0.147 0.000 1.023 131 H CB 1.047 30.724 29.762 -0.141 0.000 1.669 131 H HN 0.391 nan 8.280 nan 0.000 0.573 132 G N 1.027 109.780 108.800 -0.077 0.000 2.184 132 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.206 132 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.206 132 G C 0.487 175.358 174.900 -0.049 0.000 0.995 132 G CA 0.056 45.120 45.100 -0.060 0.000 0.651 132 G HN 0.307 nan 8.290 nan 0.000 0.511 133 T N 2.426 116.949 114.554 -0.052 0.000 2.928 133 T HA 0.396 4.746 4.350 -0.000 0.000 0.305 133 T C 0.903 175.624 174.700 0.035 0.000 1.035 133 T CA 0.472 62.564 62.100 -0.013 0.000 1.145 133 T CB 0.973 69.849 68.868 0.013 0.000 0.963 133 T HN 0.518 nan 8.240 nan 0.000 0.545 137 W N 1.505 123.079 121.300 0.456 0.000 2.532 137 W HA 0.677 5.336 4.660 -0.000 0.000 0.321 137 W C -0.458 176.282 176.519 0.368 0.000 1.037 137 W CA -1.259 56.345 57.345 0.432 0.000 1.220 137 W CB 1.999 31.697 29.460 0.398 0.000 1.361 137 W HN 0.418 nan 8.180 nan 0.000 0.468 138 L N 5.820 127.409 121.223 0.609 0.000 2.301 138 L HA 0.525 4.865 4.340 -0.000 0.000 0.278 138 L C -0.618 176.486 176.870 0.390 0.000 1.022 138 L CA -0.430 54.711 54.840 0.501 0.000 0.854 138 L CB 0.345 42.783 42.059 0.632 0.000 1.226 138 L HN 0.246 nan 8.230 nan 0.000 0.429 139 I N 4.067 124.825 120.570 0.314 0.000 2.342 139 I HA 0.208 4.378 4.170 -0.000 0.000 0.291 139 I C -0.326 175.951 176.117 0.267 0.000 1.010 139 I CA -0.170 61.286 61.300 0.259 0.000 1.308 139 I CB 1.218 39.355 38.000 0.229 0.000 1.400 139 I HN 0.489 nan 8.210 nan 0.000 0.488 140 D N 9.205 129.736 120.400 0.218 0.000 2.477 140 D HA 0.281 4.921 4.640 -0.000 0.000 0.239 140 D C -1.942 174.391 176.300 0.055 0.000 1.102 140 D CA -2.274 51.807 54.000 0.135 0.000 0.901 140 D CB 1.762 42.605 40.800 0.071 0.000 1.026 140 D HN 0.133 nan 8.370 nan 0.000 0.515 141 P HA -0.094 nan 4.420 nan 0.000 0.215 141 P C 0.805 178.038 177.300 -0.112 0.000 1.153 141 P CA 0.827 64.002 63.100 0.125 0.000 0.853 141 P CB 0.484 32.315 31.700 0.219 0.000 0.788 142 D N -0.591 119.781 120.400 -0.047 0.000 2.123 142 D HA -0.147 4.493 4.640 -0.000 0.000 0.196 142 D C 1.579 177.790 176.300 -0.149 0.000 0.992 142 D CA 1.111 55.069 54.000 -0.070 0.000 0.833 142 D CB -0.429 40.361 40.800 -0.016 0.000 0.954 142 D HN 0.281 nan 8.370 nan 0.000 0.455 143 E N 0.221 120.310 120.200 -0.184 0.000 2.479 143 E HA 0.020 4.370 4.350 -0.000 0.000 0.193 143 E C -0.003 176.357 176.600 -0.400 0.000 1.049 143 E CA -0.054 56.214 56.400 -0.221 0.000 0.870 143 E CB 0.274 29.886 29.700 -0.146 0.000 0.944 143 E HN 0.366 nan 8.360 nan 0.000 0.492 144 Q N 0.641 120.005 119.800 -0.726 0.000 2.439 144 Q HA -0.146 4.193 4.340 -0.000 0.000 0.325 144 Q C -0.676 174.803 176.000 -0.868 0.000 1.372 144 Q CA 0.646 55.539 55.803 -1.516 0.000 0.909 144 Q CB -1.596 26.549 28.738 -0.989 0.000 1.167 144 Q HN 0.056 nan 8.270 nan 0.000 0.418 145 T N -0.411 113.832 114.554 -0.519 0.000 2.893 145 T HA 0.637 4.987 4.350 -0.000 0.000 0.291 145 T C -0.432 174.195 174.700 -0.122 0.000 1.028 145 T CA -0.607 61.321 62.100 -0.287 0.000 0.995 145 T CB 2.202 70.815 68.868 -0.425 0.000 1.051 145 T HN 0.053 nan 8.240 nan 0.000 0.470 146 V N 3.111 122.928 119.914 -0.162 0.000 2.487 146 V HA 0.531 4.651 4.120 -0.000 0.000 0.298 146 V C -1.092 174.895 176.094 -0.178 0.000 1.028 146 V CA -0.909 61.305 62.300 -0.143 0.000 0.860 146 V CB 1.133 32.777 31.823 -0.299 0.000 0.991 146 V HN 0.772 nan 8.190 nan 0.000 0.427 147 F N 3.409 123.418 119.950 0.098 0.000 2.408 147 F HA 0.572 5.099 4.527 -0.000 0.000 0.344 147 F C 0.263 176.131 175.800 0.112 0.000 1.112 147 F CA -0.628 57.405 58.000 0.055 0.000 1.096 147 F CB 1.679 40.713 39.000 0.057 0.000 1.129 147 F HN 0.163 nan 8.300 nan 0.000 0.486 148 V N 4.628 124.686 119.914 0.240 0.000 2.398 148 V HA 0.315 4.435 4.120 -0.000 0.000 0.286 148 V C -0.964 175.192 176.094 0.103 0.000 1.026 148 V CA -0.953 61.530 62.300 0.305 0.000 0.868 148 V CB 1.001 33.025 31.823 0.335 0.000 0.982 148 V HN 0.498 nan 8.190 nan 0.000 0.443 149 Y N 4.532 125.013 120.300 0.302 0.000 2.328 149 Y HA 0.686 5.236 4.550 -0.000 0.000 0.337 149 Y C 0.504 176.503 175.900 0.165 0.000 0.966 149 Y CA -0.603 57.623 58.100 0.210 0.000 1.136 149 Y CB 1.567 40.148 38.460 0.202 0.000 1.170 149 Y HN 0.479 nan 8.280 nan 0.000 0.470 150 R N 3.481 124.119 120.500 0.231 0.000 2.750 150 R HA 0.485 4.825 4.340 -0.000 0.000 0.281 150 R C -2.939 173.435 176.300 0.124 0.000 0.972 150 R CA -2.336 53.853 56.100 0.147 0.000 0.912 150 R CB 1.661 32.018 30.300 0.094 0.000 1.187 150 R HN 0.332 nan 8.270 nan 0.000 0.464 151 P HA -0.000 nan 4.420 nan 0.000 0.264 151 P C -0.802 176.530 177.300 0.053 0.000 1.193 151 P CA 0.265 63.404 63.100 0.065 0.000 0.763 151 P CB 0.576 32.298 31.700 0.037 0.000 0.810 152 Q N -1.085 118.746 119.800 0.051 0.000 2.480 152 Q HA -0.253 4.087 4.340 -0.000 0.000 0.265 152 Q C -0.451 175.573 176.000 0.041 0.000 1.072 152 Q CA 1.421 57.247 55.803 0.039 0.000 1.018 152 Q CB -2.055 26.697 28.738 0.024 0.000 1.433 152 Q HN 0.603 nan 8.270 nan 0.000 0.513 153 Q N -0.479 119.354 119.800 0.055 0.000 2.394 153 Q HA 0.403 4.743 4.340 -0.000 0.000 0.273 153 Q C -0.546 175.479 176.000 0.042 0.000 1.089 153 Q CA -0.807 55.023 55.803 0.045 0.000 0.812 153 Q CB 1.854 30.621 28.738 0.050 0.000 1.353 153 Q HN 0.267 nan 8.270 nan 0.000 0.438 154 E N 0.895 121.108 120.200 0.021 0.000 2.442 154 E HA 0.003 4.353 4.350 -0.000 0.000 0.262 154 E C -0.728 175.855 176.600 -0.029 0.000 1.004 154 E CA 0.092 56.492 56.400 0.001 0.000 0.928 154 E CB 0.691 30.386 29.700 -0.008 0.000 0.937 154 E HN 0.402 nan 8.360 nan 0.000 0.446 155 T N 4.280 118.781 114.554 -0.089 0.000 2.934 155 T HA 0.010 4.360 4.350 -0.000 0.000 0.306 155 T C -0.195 174.440 174.700 -0.109 0.000 1.042 155 T CA 0.305 62.265 62.100 -0.234 0.000 1.145 155 T CB 0.418 69.051 68.868 -0.391 0.000 0.982 155 T HN 0.405 nan 8.240 nan 0.000 0.544 156 E N 1.246 121.408 120.200 -0.063 0.000 2.191 156 E HA 0.517 4.867 4.350 -0.000 0.000 0.274 156 E C -0.895 175.657 176.600 -0.079 0.000 0.948 156 E CA -0.836 55.536 56.400 -0.047 0.000 0.802 156 E CB 1.740 31.503 29.700 0.106 0.000 1.137 156 E HN 0.282 nan 8.360 nan 0.000 0.397 157 V N 3.204 122.903 119.914 -0.358 0.000 2.459 157 V HA 0.425 4.545 4.120 -0.000 0.000 0.295 157 V C -0.889 174.676 176.094 -0.881 0.000 1.029 157 V CA -0.713 61.342 62.300 -0.408 0.000 0.874 157 V CB 0.595 32.271 31.823 -0.245 0.000 0.985 157 V HN 0.520 nan 8.190 nan 0.000 0.438 158 F N 3.440 123.262 119.950 -0.214 0.000 2.499 158 F HA 0.550 5.077 4.527 -0.000 0.000 0.333 158 F C 0.208 175.893 175.800 -0.191 0.000 1.138 158 F CA -0.730 57.165 58.000 -0.176 0.000 0.945 158 F CB 1.997 40.888 39.000 -0.182 0.000 1.181 158 F HN 0.713 nan 8.300 nan 0.000 0.435 159 D N -1.177 119.181 120.400 -0.070 0.000 2.480 159 D HA 0.028 4.668 4.640 -0.000 0.000 0.276 159 D C -0.203 176.061 176.300 -0.060 0.000 1.294 159 D CA -0.016 53.928 54.000 -0.093 0.000 0.829 159 D CB -0.042 40.655 40.800 -0.171 0.000 1.242 159 D HN 0.120 nan 8.370 nan 0.000 0.513 160 E N 1.707 121.890 120.200 -0.027 0.000 2.316 160 E HA 0.181 4.531 4.350 -0.000 0.000 0.275 160 E C -1.601 174.999 176.600 0.000 0.000 1.029 160 E CA -1.724 54.664 56.400 -0.019 0.000 0.871 160 E CB 1.605 31.297 29.700 -0.012 0.000 1.022 160 E HN 0.005 nan 8.360 nan 0.000 0.418 161 P HA -0.148 nan 4.420 nan 0.000 0.216 161 P C 0.406 177.705 177.300 -0.002 0.000 1.150 161 P CA 1.222 64.322 63.100 -0.001 0.000 0.843 161 P CB 0.362 32.057 31.700 -0.009 0.000 0.787 162 D N -1.173 119.226 120.400 -0.002 0.000 2.355 162 D HA 0.091 4.731 4.640 -0.000 0.000 0.218 162 D C 0.819 177.123 176.300 0.006 0.000 1.004 162 D CA 0.243 54.242 54.000 -0.003 0.000 0.880 162 D CB -0.257 40.541 40.800 -0.004 0.000 0.911 162 D HN 0.101 nan 8.370 nan 0.000 0.528 163 A N 1.000 123.835 122.820 0.025 0.000 2.440 163 A HA 0.307 4.627 4.320 -0.000 0.000 0.251 163 A C 0.331 177.924 177.584 0.016 0.000 1.089 163 A CA -0.220 51.852 52.037 0.059 0.000 0.779 163 A CB 0.229 19.317 19.000 0.146 0.000 1.022 163 A HN 0.159 nan 8.150 nan 0.000 0.492 164 L N 2.969 124.186 121.223 -0.009 0.000 2.349 164 L HA 0.255 4.595 4.340 -0.000 0.000 0.275 164 L C -0.231 176.500 176.870 -0.231 0.000 1.115 164 L CA -0.639 54.161 54.840 -0.066 0.000 0.820 164 L CB 1.213 43.263 42.059 -0.016 0.000 1.135 164 L HN 0.455 nan 8.230 nan 0.000 0.445 165 V N 4.286 124.032 119.914 -0.280 0.000 2.488 165 V HA 0.188 4.308 4.120 -0.000 0.000 0.277 165 V C -1.913 173.992 176.094 -0.315 0.000 1.046 165 V CA -1.614 60.353 62.300 -0.555 0.000 0.986 165 V CB 0.698 32.152 31.823 -0.615 0.000 0.989 165 V HN 0.637 nan 8.190 nan 0.000 0.475 166 P HA 0.227 nan 4.420 nan 0.000 0.267 166 P C -0.587 176.722 177.300 0.015 0.000 1.200 166 P CA 0.109 63.097 63.100 -0.187 0.000 0.772 166 P CB 0.609 32.190 31.700 -0.199 0.000 0.855 167 V N -0.266 119.524 119.914 -0.207 0.000 3.001 167 V HA 0.722 4.842 4.120 -0.000 0.000 0.314 167 V C -2.659 172.991 176.094 -0.740 0.000 1.099 167 V CA -2.946 58.983 62.300 -0.620 0.000 0.989 167 V CB 1.130 32.625 31.823 -0.547 0.000 1.040 167 V HN 0.294 nan 8.190 nan 0.000 0.434 168 P HA 0.207 nan 4.420 nan 0.000 0.269 168 P C 1.065 177.959 177.300 -0.676 0.000 1.215 168 P CA 0.349 62.945 63.100 -0.839 0.000 0.780 168 P CB 0.696 31.757 31.700 -1.065 0.000 0.898 169 S N 1.237 116.731 115.700 -0.343 0.000 2.419 169 S HA -0.228 4.242 4.470 -0.000 0.000 0.235 169 S C 1.679 176.194 174.600 -0.142 0.000 1.019 169 S CA 1.267 59.352 58.200 -0.192 0.000 0.982 169 S CB -1.490 61.668 63.200 -0.069 0.000 0.789 169 S HN 0.562 nan 8.310 nan 0.000 0.490 170 F N 2.007 121.909 119.950 -0.079 0.000 2.333 170 F HA 0.433 4.960 4.527 -0.000 0.000 0.300 170 F C 1.822 177.598 175.800 -0.039 0.000 1.083 170 F CA 0.158 58.138 58.000 -0.034 0.000 1.395 170 F CB -0.704 38.302 39.000 0.009 0.000 1.056 170 F HN 0.289 nan 8.300 nan 0.000 0.529 171 A N 0.367 122.848 122.820 -0.564 0.000 2.500 171 A HA 0.266 4.586 4.320 -0.000 0.000 0.267 171 A C 2.004 179.413 177.584 -0.291 0.000 1.290 171 A CA 0.352 52.180 52.037 -0.348 0.000 0.928 171 A CB -1.166 17.527 19.000 -0.511 0.000 1.066 171 A HN 0.413 nan 8.150 nan 0.000 0.516 172 S N 0.205 115.757 115.700 -0.246 0.000 2.440 172 S HA -0.174 4.296 4.470 -0.000 0.000 0.238 172 S C 1.176 175.630 174.600 -0.242 0.000 1.010 172 S CA 1.372 59.452 58.200 -0.201 0.000 0.972 172 S CB -0.237 62.897 63.200 -0.111 0.000 0.774 172 S HN 0.511 nan 8.310 nan 0.000 0.501 173 E N 0.554 120.626 120.200 -0.214 0.000 2.347 173 E HA 0.139 4.489 4.350 -0.000 0.000 0.196 173 E C 0.377 176.687 176.600 -0.483 0.000 1.008 173 E CA 0.029 56.267 56.400 -0.270 0.000 0.852 173 E CB -0.353 29.288 29.700 -0.100 0.000 0.783 173 E HN 0.523 nan 8.360 nan 0.000 0.505 174 L N 2.857 123.861 121.223 -0.365 0.000 2.369 174 L HA 0.055 4.395 4.340 -0.000 0.000 0.279 174 L C -0.647 176.012 176.870 -0.351 0.000 1.108 174 L CA 0.055 54.748 54.840 -0.243 0.000 0.852 174 L CB 0.165 42.203 42.059 -0.035 0.000 1.169 174 L HN -0.057 nan 8.230 nan 0.000 0.452 175 H N 6.710 125.812 119.070 0.052 0.000 2.683 175 H HA 0.345 4.901 4.556 -0.000 0.000 0.270 175 H C -0.963 174.393 175.328 0.046 0.000 1.201 175 H CA -0.665 55.403 56.048 0.032 0.000 1.277 175 H CB 1.228 30.999 29.762 0.015 0.000 1.400 175 H HN 0.467 nan 8.280 nan 0.000 0.504 176 L N 3.370 124.676 121.223 0.137 0.000 2.298 176 L HA 0.281 4.621 4.340 -0.000 0.000 0.284 176 L C 0.392 177.250 176.870 -0.019 0.000 1.013 176 L CA -0.456 54.432 54.840 0.081 0.000 0.824 176 L CB 1.054 43.210 42.059 0.162 0.000 1.221 176 L HN 0.460 nan 8.230 nan 0.000 0.418 177 S N 4.624 120.291 115.700 -0.055 0.000 2.632 177 S HA 0.334 4.804 4.470 -0.000 0.000 0.267 177 S C 1.424 175.929 174.600 -0.159 0.000 1.276 177 S CA -0.822 57.329 58.200 -0.081 0.000 0.998 177 S CB 0.874 64.045 63.200 -0.048 0.000 0.953 177 S HN 0.556 nan 8.310 nan 0.000 0.547 178 I N 1.487 121.998 120.570 -0.098 0.000 2.163 178 I HA -0.175 3.995 4.170 -0.000 0.000 0.243 178 I C 2.549 178.650 176.117 -0.027 0.000 1.085 178 I CA 2.110 63.389 61.300 -0.037 0.000 1.347 178 I CB -1.305 36.739 38.000 0.075 0.000 1.044 178 I HN 0.958 nan 8.210 nan 0.000 0.408 179 K N 0.972 121.352 120.400 -0.034 0.000 2.063 179 K HA -0.222 4.098 4.320 -0.000 0.000 0.208 179 K C 1.614 178.128 176.600 -0.143 0.000 1.048 179 K CA 1.970 58.235 56.287 -0.036 0.000 0.928 179 K CB -0.126 32.359 32.500 -0.024 0.000 0.713 179 K HN 0.173 nan 8.250 nan 0.000 0.442 180 D N 1.079 121.348 120.400 -0.220 0.000 2.117 180 D HA -0.157 4.483 4.640 -0.000 0.000 0.198 180 D C 1.996 177.782 176.300 -0.857 0.000 0.982 180 D CA 0.958 54.760 54.000 -0.330 0.000 0.828 180 D CB -0.200 40.486 40.800 -0.190 0.000 0.967 180 D HN 0.237 nan 8.370 nan 0.000 0.464 181 L N -0.314 120.292 121.223 -1.029 0.000 1.989 181 L HA -0.199 4.141 4.340 -0.000 0.000 0.211 181 L C 1.966 178.002 176.870 -1.389 0.000 1.071 181 L CA 1.329 55.146 54.840 -1.705 0.000 0.749 181 L CB -0.180 41.049 42.059 -1.383 0.000 0.890 181 L HN -0.042 nan 8.230 nan 0.000 0.431 182 F N -0.672 119.005 119.950 -0.454 0.000 2.748 182 F HA -0.060 4.467 4.527 -0.000 0.000 0.299 182 F C 2.697 178.411 175.800 -0.143 0.000 1.154 182 F CA 0.750 58.617 58.000 -0.221 0.000 1.446 182 F CB -0.725 38.187 39.000 -0.147 0.000 1.112 182 F HN 0.197 nan 8.300 nan 0.000 0.584 183 S N -1.061 114.561 115.700 -0.131 0.000 2.481 183 S HA -0.171 4.298 4.470 -0.000 0.000 0.231 183 S C 1.558 176.240 174.600 0.137 0.000 0.996 183 S CA 0.366 58.564 58.200 -0.005 0.000 0.942 183 S CB -0.666 62.520 63.200 -0.024 0.000 0.768 183 S HN 0.421 nan 8.310 nan 0.000 0.520 184 W N 1.582 122.885 121.300 0.004 0.000 2.721 184 W HA 0.320 4.980 4.660 -0.000 0.000 0.245 184 W C 1.477 178.009 176.519 0.022 0.000 1.276 184 W CA -0.475 56.868 57.345 -0.003 0.000 1.342 184 W CB -0.972 28.464 29.460 -0.040 0.000 1.135 184 W HN 0.391 nan 8.180 nan 0.000 0.654 185 L N -0.634 120.730 121.223 0.234 0.000 2.446 185 L HA 0.047 4.387 4.340 -0.000 0.000 0.219 185 L C 1.247 178.193 176.870 0.127 0.000 1.116 185 L CA 0.232 55.175 54.840 0.172 0.000 0.844 185 L CB -0.485 41.674 42.059 0.167 0.000 0.970 185 L HN -0.247 nan 8.230 nan 0.000 0.457 186 L N 0.000 121.297 121.223 0.124 0.000 2.949 186 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 186 L CA 0.000 54.895 54.840 0.091 0.000 0.813 186 L CB 0.000 42.108 42.059 0.082 0.000 0.961 186 L HN 0.000 nan 8.230 nan 0.000 0.502