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_B 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 0.069 0.000 1.155 8 P CA 0.000 63.125 63.100 0.042 0.000 0.800 8 P CB 0.000 31.717 31.700 0.028 0.000 0.726 9 I N 0.862 121.500 120.570 0.113 0.000 2.827 9 I HA 0.615 4.785 4.170 0.001 0.000 0.298 9 I C -0.244 175.990 176.117 0.194 0.000 1.235 9 I CA -0.065 61.322 61.300 0.145 0.000 1.021 9 I CB 2.515 40.628 38.000 0.188 0.000 1.259 9 I HN 0.342 nan 8.210 nan 0.000 0.427 10 T N 3.292 117.894 114.554 0.079 0.000 2.881 10 T HA 0.280 4.630 4.350 0.001 0.000 0.278 10 T C 0.822 175.355 174.700 -0.278 0.000 0.982 10 T CA -0.569 61.541 62.100 0.017 0.000 0.989 10 T CB 1.396 70.268 68.868 0.006 0.000 1.058 10 T HN 0.610 nan 8.240 nan 0.000 0.529 11 L N 0.608 121.592 121.223 -0.398 0.000 2.017 11 L HA 0.023 4.363 4.340 0.001 0.000 0.208 11 L C 2.000 178.728 176.870 -0.235 0.000 1.073 11 L CA 1.959 56.425 54.840 -0.623 0.000 0.745 11 L CB -1.130 40.753 42.059 -0.292 0.000 0.894 11 L HN 0.718 nan 8.230 nan 0.000 0.432 12 D N -0.179 120.151 120.400 -0.117 0.000 2.123 12 D HA -0.215 4.426 4.640 0.001 0.000 0.196 12 D C 2.075 178.337 176.300 -0.063 0.000 0.992 12 D CA 1.641 55.604 54.000 -0.063 0.000 0.833 12 D CB -0.008 40.770 40.800 -0.037 0.000 0.954 12 D HN 0.554 nan 8.370 nan 0.000 0.455 13 E N -0.342 119.821 120.200 -0.062 0.000 2.047 13 E HA -0.137 4.214 4.350 0.001 0.000 0.191 13 E C 1.934 178.501 176.600 -0.055 0.000 0.987 13 E CA 0.382 56.755 56.400 -0.044 0.000 0.799 13 E CB -0.219 29.472 29.700 -0.015 0.000 0.752 13 E HN 0.236 nan 8.360 nan 0.000 0.449 14 F N 1.391 121.208 119.950 -0.222 0.000 2.126 14 F HA -0.183 4.345 4.527 0.001 0.000 0.299 14 F C 1.778 177.490 175.800 -0.147 0.000 1.096 14 F CA 1.309 59.182 58.000 -0.211 0.000 1.255 14 F CB -0.083 38.657 39.000 -0.433 0.000 0.997 14 F HN -0.081 nan 8.300 nan 0.000 0.479 15 L N 0.068 121.171 121.223 -0.201 0.000 2.362 15 L HA -0.139 4.202 4.340 0.001 0.000 0.219 15 L C 2.020 178.758 176.870 -0.219 0.000 1.134 15 L CA 1.041 55.749 54.840 -0.221 0.000 0.807 15 L CB -0.545 41.484 42.059 -0.050 0.000 0.927 15 L HN 0.117 nan 8.230 nan 0.000 0.447 16 K N -0.206 120.082 120.400 -0.187 0.000 2.365 16 K HA 0.119 4.439 4.320 0.001 0.000 0.197 16 K C 0.561 177.060 176.600 -0.169 0.000 1.042 16 K CA 0.108 56.311 56.287 -0.141 0.000 0.987 16 K CB 0.171 32.615 32.500 -0.093 0.000 0.779 16 K HN 0.204 nan 8.250 nan 0.000 0.484 17 L N 2.842 123.912 121.223 -0.254 0.000 2.464 17 L HA 0.134 4.474 4.340 0.001 0.000 0.264 17 L C -1.743 174.990 176.870 -0.229 0.000 1.199 17 L CA -1.888 52.808 54.840 -0.240 0.000 0.818 17 L CB -0.322 41.557 42.059 -0.301 0.000 1.102 17 L HN 0.022 nan 8.230 nan 0.000 0.473 18 P HA 0.147 nan 4.420 nan 0.000 0.276 18 P C -0.766 176.458 177.300 -0.125 0.000 1.244 18 P CA -0.545 62.483 63.100 -0.120 0.000 0.801 18 P CB 0.697 32.351 31.700 -0.077 0.000 1.006 19 E N 0.436 120.580 120.200 -0.094 0.000 2.404 19 E HA 0.195 4.545 4.350 0.001 0.000 0.261 19 E C 0.339 176.916 176.600 -0.038 0.000 1.074 19 E CA 0.384 56.744 56.400 -0.067 0.000 0.917 19 E CB 0.686 30.360 29.700 -0.045 0.000 0.965 19 E HN 0.553 nan 8.360 nan 0.000 0.433 20 T N -2.246 112.298 114.554 -0.016 0.000 2.926 20 T HA 0.673 5.024 4.350 0.001 0.000 0.289 20 T C -0.275 174.428 174.700 0.005 0.000 1.054 20 T CA -0.897 61.201 62.100 -0.002 0.000 1.015 20 T CB 1.636 70.510 68.868 0.011 0.000 1.167 20 T HN 0.405 nan 8.240 nan 0.000 0.526 21 E N 0.874 121.077 120.200 0.005 0.000 2.235 21 E HA 0.626 4.976 4.350 0.001 0.000 0.252 21 E C -3.018 173.585 176.600 0.006 0.000 0.886 21 E CA -1.937 54.467 56.400 0.007 0.000 0.767 21 E CB 0.287 29.990 29.700 0.005 0.000 1.205 21 E HN 0.786 nan 8.360 nan 0.000 0.421 22 P HA 0.535 nan 4.420 nan 0.000 0.274 22 P C 0.096 177.408 177.300 0.020 0.000 1.246 22 P CA -0.223 62.883 63.100 0.009 0.000 0.795 22 P CB 1.238 32.937 31.700 -0.002 0.000 1.006 23 A N 1.363 124.200 122.820 0.029 0.000 2.466 23 A HA 0.319 4.639 4.320 0.001 0.000 0.238 23 A C 0.275 177.901 177.584 0.070 0.000 1.074 23 A CA 0.263 52.328 52.037 0.047 0.000 0.774 23 A CB -0.381 18.650 19.000 0.052 0.000 1.015 23 A HN 0.477 nan 8.150 nan 0.000 0.498 24 S N 0.857 116.629 115.700 0.121 0.000 2.489 24 S HA 0.415 4.886 4.470 0.001 0.000 0.291 24 S C -0.308 174.447 174.600 0.259 0.000 1.151 24 S CA -0.537 57.775 58.200 0.186 0.000 1.082 24 S CB 1.016 64.372 63.200 0.260 0.000 1.019 24 S HN 0.709 nan 8.310 nan 0.000 0.492 25 E N 1.045 121.304 120.200 0.099 0.000 2.212 25 E HA 0.283 4.633 4.350 0.001 0.000 0.270 25 E C -1.566 174.851 176.600 -0.304 0.000 0.956 25 E CA -0.660 55.714 56.400 -0.042 0.000 0.825 25 E CB 1.732 31.387 29.700 -0.075 0.000 1.167 25 E HN 0.631 nan 8.360 nan 0.000 0.400 26 Y N 2.867 122.726 120.300 -0.736 0.000 2.478 26 Y HA 0.417 4.968 4.550 0.001 0.000 0.329 26 Y C -1.256 174.236 175.900 -0.680 0.000 0.967 26 Y CA -0.498 57.042 58.100 -0.934 0.000 1.255 26 Y CB 0.270 37.798 38.460 -1.554 0.000 1.103 26 Y HN 0.359 nan 8.280 nan 0.000 0.497 27 I N 5.525 125.549 120.570 -0.910 0.000 2.447 27 I HA 0.248 4.418 4.170 0.001 0.000 0.287 27 I C -0.207 175.335 176.117 -0.958 0.000 1.023 27 I CA -0.809 59.877 61.300 -1.024 0.000 1.083 27 I CB 1.851 39.487 38.000 -0.606 0.000 1.245 27 I HN 0.625 nan 8.210 nan 0.000 0.434 28 E N 4.200 123.775 120.200 -1.042 0.000 2.440 28 E HA -0.275 4.075 4.350 0.001 0.000 0.246 28 E C 1.093 177.398 176.600 -0.492 0.000 1.165 28 E CA 0.641 56.740 56.400 -0.502 0.000 0.726 28 E CB -1.232 28.294 29.700 -0.290 0.000 1.271 28 E HN 1.233 nan 8.360 nan 0.000 0.397 29 G N -0.247 108.064 108.800 -0.815 0.000 2.179 29 G HA2 -0.372 3.589 3.960 0.001 0.000 0.260 29 G HA3 -0.372 3.589 3.960 0.001 0.000 0.260 29 G C 0.139 174.648 174.900 -0.652 0.000 0.977 29 G CA 0.873 45.542 45.100 -0.719 0.000 0.641 29 G HN 0.290 nan 8.290 nan 0.000 0.533 30 K N -0.214 119.770 120.400 -0.694 0.000 2.156 30 K HA 0.716 5.036 4.320 0.001 0.000 0.254 30 K C 0.004 176.366 176.600 -0.398 0.000 0.950 30 K CA -0.929 55.120 56.287 -0.396 0.000 0.849 30 K CB 1.925 34.256 32.500 -0.281 0.000 1.100 30 K HN 0.164 nan 8.250 nan 0.000 0.434 31 I N 3.941 124.414 120.570 -0.162 0.000 2.304 31 I HA 0.287 4.457 4.170 0.001 0.000 0.291 31 I C -0.495 175.587 176.117 -0.058 0.000 1.018 31 I CA -0.461 60.803 61.300 -0.060 0.000 1.260 31 I CB 0.498 38.582 38.000 0.141 0.000 1.390 31 I HN 0.345 nan 8.210 nan 0.000 0.475 32 I N 6.167 126.690 120.570 -0.079 0.000 2.447 32 I HA 0.277 4.447 4.170 0.001 0.000 0.287 32 I C -0.152 175.957 176.117 -0.013 0.000 1.023 32 I CA -0.534 60.732 61.300 -0.057 0.000 1.083 32 I CB 1.754 39.697 38.000 -0.095 0.000 1.245 32 I HN 0.565 nan 8.210 nan 0.000 0.434 33 Q N 5.754 125.557 119.800 0.005 0.000 2.288 33 Q HA 0.282 4.622 4.340 0.001 0.000 0.254 33 Q C -0.426 175.575 176.000 0.002 0.000 0.932 33 Q CA -0.443 55.371 55.803 0.019 0.000 0.902 33 Q CB 1.154 29.904 28.738 0.019 0.000 1.203 33 Q HN 0.469 nan 8.270 nan 0.000 0.415 34 K N 3.639 124.044 120.400 0.007 0.000 2.230 34 K HA 0.176 4.496 4.320 0.001 0.000 0.253 34 K C -2.038 174.548 176.600 -0.023 0.000 1.008 34 K CA -1.208 55.075 56.287 -0.007 0.000 0.910 34 K CB 0.067 32.569 32.500 0.003 0.000 0.994 34 K HN 0.539 nan 8.250 nan 0.000 0.495 38 Q N -0.128 119.705 119.800 0.055 0.000 2.421 38 Q HA 0.539 4.879 4.340 0.001 0.000 0.280 38 Q C 0.584 176.655 176.000 0.118 0.000 1.085 38 Q CA -0.160 55.689 55.803 0.076 0.000 0.807 38 Q CB 2.294 31.075 28.738 0.071 0.000 1.405 38 Q HN 0.654 nan 8.270 nan 0.000 0.419 39 G N 2.528 111.383 108.800 0.091 0.000 2.514 39 G HA2 -0.294 3.666 3.960 0.001 0.000 0.217 39 G HA3 -0.294 3.666 3.960 0.001 0.000 0.217 39 G C 1.058 176.023 174.900 0.108 0.000 1.198 39 G CA 1.145 46.297 45.100 0.087 0.000 0.780 39 G HN 0.701 nan 8.290 nan 0.000 0.565 40 K N -0.727 119.746 120.400 0.121 0.000 2.032 40 K HA -0.140 4.180 4.320 0.001 0.000 0.209 40 K C 2.298 178.993 176.600 0.157 0.000 1.048 40 K CA 1.240 57.609 56.287 0.137 0.000 0.927 40 K CB -0.390 32.192 32.500 0.136 0.000 0.712 40 K HN 0.420 nan 8.250 nan 0.000 0.441 41 H N 0.556 119.682 119.070 0.094 0.000 2.290 41 H HA -0.094 4.462 4.556 0.001 0.000 0.298 41 H C 1.907 177.285 175.328 0.084 0.000 1.087 41 H CA 1.995 58.100 56.048 0.096 0.000 1.291 41 H CB 0.168 29.977 29.762 0.078 0.000 1.369 41 H HN 0.071 nan 8.280 nan 0.000 0.492 42 S N 0.442 116.226 115.700 0.142 0.000 2.368 42 S HA -0.123 4.347 4.470 0.001 0.000 0.225 42 S C 2.459 177.064 174.600 0.009 0.000 1.030 42 S CA 0.944 59.187 58.200 0.073 0.000 0.999 42 S CB -0.420 62.837 63.200 0.094 0.000 0.844 42 S HN 0.623 nan 8.310 nan 0.000 0.459 43 A N 1.473 124.316 122.820 0.038 0.000 1.877 43 A HA -0.064 4.256 4.320 0.001 0.000 0.216 43 A C 2.094 179.698 177.584 0.034 0.000 1.186 43 A CA 1.298 53.356 52.037 0.036 0.000 0.620 43 A CB -0.699 18.354 19.000 0.087 0.000 0.822 43 A HN 0.481 nan 8.150 nan 0.000 0.443 44 I N -1.001 119.621 120.570 0.086 0.000 2.202 44 I HA -0.264 3.907 4.170 0.001 0.000 0.242 44 I C 2.841 178.977 176.117 0.032 0.000 1.091 44 I CA 1.640 63.048 61.300 0.181 0.000 1.368 44 I CB -0.370 37.729 38.000 0.166 0.000 1.058 44 I HN 0.522 nan 8.210 nan 0.000 0.410 45 Q N 0.849 120.588 119.800 -0.102 0.000 2.030 45 Q HA -0.237 4.103 4.340 0.001 0.000 0.204 45 Q C 2.389 178.316 176.000 -0.122 0.000 0.986 45 Q CA 2.752 58.475 55.803 -0.134 0.000 0.843 45 Q CB 0.004 28.625 28.738 -0.194 0.000 0.904 45 Q HN 0.594 nan 8.270 nan 0.000 0.420 46 S N -0.067 115.559 115.700 -0.123 0.000 2.356 46 S HA -0.198 4.272 4.470 0.001 0.000 0.223 46 S C 1.809 176.260 174.600 -0.248 0.000 1.032 46 S CA 1.347 59.461 58.200 -0.143 0.000 1.005 46 S CB -0.425 62.711 63.200 -0.107 0.000 0.867 46 S HN 0.355 nan 8.310 nan 0.000 0.449 47 E N 0.811 120.781 120.200 -0.385 0.000 2.106 47 E HA -0.057 4.293 4.350 0.001 0.000 0.192 47 E C 2.149 178.251 176.600 -0.830 0.000 0.984 47 E CA 0.978 56.930 56.400 -0.746 0.000 0.806 47 E CB -0.919 28.023 29.700 -1.264 0.000 0.750 47 E HN 0.589 nan 8.360 nan 0.000 0.458 48 C N -0.876 118.100 119.300 -0.539 0.000 2.429 48 C HA -0.067 4.394 4.460 0.001 0.000 0.277 48 C C 2.553 177.434 174.990 -0.182 0.000 1.262 48 C CA 1.008 59.912 59.018 -0.190 0.000 1.733 48 C CB -0.910 26.885 27.740 0.092 0.000 2.010 48 C HN 0.327 nan 8.230 nan 0.000 0.483 49 V N 0.169 119.968 119.914 -0.191 0.000 2.343 49 V HA -0.166 3.954 4.120 0.001 0.000 0.247 49 V C 2.688 178.686 176.094 -0.160 0.000 1.051 49 V CA 2.362 64.559 62.300 -0.171 0.000 1.036 49 V CB -1.087 30.653 31.823 -0.138 0.000 0.654 49 V HN 0.687 nan 8.190 nan 0.000 0.451 50 S N -0.236 115.352 115.700 -0.187 0.000 2.356 50 S HA -0.169 4.301 4.470 0.001 0.000 0.223 50 S C 1.999 176.520 174.600 -0.132 0.000 1.032 50 S CA 1.977 60.078 58.200 -0.164 0.000 1.005 50 S CB -0.206 62.871 63.200 -0.206 0.000 0.867 50 S HN 0.314 nan 8.310 nan 0.000 0.449 51 V N 1.894 121.713 119.914 -0.158 0.000 2.307 51 V HA -0.123 3.998 4.120 0.001 0.000 0.245 51 V C 2.310 178.405 176.094 0.002 0.000 1.045 51 V CA 1.938 64.207 62.300 -0.052 0.000 1.024 51 V CB -0.639 31.194 31.823 0.016 0.000 0.651 51 V HN 0.499 nan 8.190 nan 0.000 0.449 52 I N 0.390 120.949 120.570 -0.018 0.000 2.163 52 I HA -0.244 3.926 4.170 0.001 0.000 0.243 52 I C 2.387 178.516 176.117 0.019 0.000 1.085 52 I CA 1.591 62.896 61.300 0.008 0.000 1.347 52 I CB -0.535 37.402 38.000 -0.104 0.000 1.044 52 I HN 0.330 nan 8.210 nan 0.000 0.408 53 N N 0.537 119.220 118.700 -0.029 0.000 2.223 53 N HA -0.154 4.587 4.740 0.001 0.000 0.185 53 N C 2.058 177.569 175.510 0.002 0.000 1.016 53 N CA 1.739 54.780 53.050 -0.016 0.000 0.863 53 N CB -0.371 38.081 38.487 -0.059 0.000 0.983 53 N HN 0.422 nan 8.380 nan 0.000 0.429 54 S N -0.339 115.356 115.700 -0.009 0.000 2.419 54 S HA -0.062 4.409 4.470 0.001 0.000 0.233 54 S C 2.032 176.639 174.600 0.012 0.000 1.016 54 S CA 1.007 59.206 58.200 -0.003 0.000 0.974 54 S CB -0.451 62.744 63.200 -0.008 0.000 0.786 54 S HN 0.042 nan 8.310 nan 0.000 0.492 55 V N 1.530 121.460 119.914 0.027 0.000 2.500 55 V HA 0.027 4.147 4.120 0.001 0.000 0.243 55 V C 2.619 178.746 176.094 0.054 0.000 1.039 55 V CA 1.212 63.531 62.300 0.033 0.000 1.053 55 V CB 0.129 31.972 31.823 0.033 0.000 0.695 55 V HN 0.640 nan 8.190 nan 0.000 0.463 56 V N -2.139 117.831 119.914 0.093 0.000 3.431 56 V HA 0.284 4.404 4.120 0.001 0.000 0.253 56 V C 2.360 178.511 176.094 0.096 0.000 1.184 56 V CA 1.261 63.643 62.300 0.137 0.000 1.104 56 V CB -0.409 31.576 31.823 0.269 0.000 0.799 56 V HN 0.433 nan 8.190 nan 0.000 0.462 57 K N 1.419 121.866 120.400 0.078 0.000 2.062 57 K HA 0.165 4.485 4.320 0.001 0.000 0.205 57 K C 0.582 177.158 176.600 -0.039 0.000 1.051 57 K CA 1.563 57.898 56.287 0.080 0.000 0.941 57 K CB -2.491 30.063 32.500 0.090 0.000 0.719 57 K HN 0.635 nan 8.250 nan 0.000 0.440 58 P HA -0.174 nan 4.420 nan 0.000 0.215 58 P C 1.174 178.395 177.300 -0.131 0.000 1.157 58 P CA 1.248 64.308 63.100 -0.068 0.000 0.874 58 P CB 0.112 31.788 31.700 -0.039 0.000 0.790 59 Q N -1.047 118.669 119.800 -0.140 0.000 2.247 59 Q HA 0.159 4.499 4.340 0.001 0.000 0.205 59 Q C -0.243 175.559 176.000 -0.331 0.000 0.896 59 Q CA -0.098 55.596 55.803 -0.180 0.000 0.950 59 Q CB -0.725 27.951 28.738 -0.104 0.000 1.054 59 Q HN -0.002 nan 8.270 nan 0.000 0.482 60 R N -0.341 119.828 120.500 -0.550 0.000 3.333 60 R HA -0.237 4.103 4.340 0.001 0.000 0.256 60 R C 0.226 176.126 176.300 -0.666 0.000 1.010 60 R CA 0.615 55.958 56.100 -1.262 0.000 0.680 60 R CB -2.225 27.054 30.300 -1.703 0.000 1.102 60 R HN 0.396 nan 8.270 nan 0.000 0.440 61 I N -0.484 119.983 120.570 -0.173 0.000 2.296 61 I HA -0.010 4.160 4.170 0.001 0.000 0.242 61 I C 1.264 177.509 176.117 0.213 0.000 1.087 61 I CA 1.505 62.834 61.300 0.048 0.000 1.393 61 I CB 0.058 38.121 38.000 0.105 0.000 1.093 61 I HN 0.465 nan 8.210 nan 0.000 0.421 62 A N -0.170 122.851 122.820 0.334 0.000 2.557 62 A HA 0.904 5.225 4.320 0.001 0.000 0.292 62 A C -0.890 176.912 177.584 0.362 0.000 1.139 62 A CA -0.306 51.916 52.037 0.308 0.000 0.665 62 A CB 0.897 19.893 19.000 -0.007 0.000 1.285 62 A HN 0.063 nan 8.150 nan 0.000 0.433 63 R N -0.452 120.129 120.500 0.135 0.000 2.564 63 R HA 0.849 5.189 4.340 0.001 0.000 0.284 63 R C -0.373 175.727 176.300 -0.334 0.000 1.031 63 R CA -0.081 55.928 56.100 -0.152 0.000 0.904 63 R CB 0.849 30.895 30.300 -0.423 0.000 1.199 63 R HN 2.514 nan 8.270 nan 0.000 0.443 64 A N 2.123 124.731 122.820 -0.354 0.000 2.301 64 A HA 0.866 5.186 4.320 0.001 0.000 0.298 64 A C -0.912 176.397 177.584 -0.458 0.000 1.185 64 A CA -0.375 51.490 52.037 -0.287 0.000 0.830 64 A CB 0.060 18.939 19.000 -0.201 0.000 1.112 64 A HN 0.695 nan 8.150 nan 0.000 0.508 65 F N 1.441 121.375 119.950 -0.026 0.000 2.495 65 F HA 0.484 5.012 4.527 0.001 0.000 0.327 65 F C 0.056 175.818 175.800 -0.063 0.000 1.103 65 F CA -0.590 57.379 58.000 -0.052 0.000 0.949 65 F CB 1.792 40.736 39.000 -0.092 0.000 1.142 65 F HN 0.351 nan 8.300 nan 0.000 0.457 66 L N 3.380 124.672 121.223 0.115 0.000 2.305 66 L HA 0.269 4.610 4.340 0.001 0.000 0.281 66 L C 0.236 177.142 176.870 0.060 0.000 1.085 66 L CA -0.322 54.552 54.840 0.057 0.000 0.813 66 L CB 0.530 42.606 42.059 0.029 0.000 1.157 66 L HN 0.626 nan 8.230 nan 0.000 0.436 67 E N 2.052 122.284 120.200 0.053 0.000 2.269 67 E HA -0.251 4.100 4.350 0.001 0.000 0.223 67 E C -0.686 175.921 176.600 0.010 0.000 1.244 67 E CA 0.498 56.924 56.400 0.044 0.000 0.713 67 E CB -1.206 28.521 29.700 0.044 0.000 1.178 67 E HN 0.299 nan 8.360 nan 0.000 0.370 68 L N 0.155 121.371 121.223 -0.013 0.000 2.292 68 L HA 0.301 4.642 4.340 0.001 0.000 0.284 68 L C 0.615 177.444 176.870 -0.068 0.000 1.065 68 L CA -0.302 54.461 54.840 -0.129 0.000 0.806 68 L CB 0.981 42.845 42.059 -0.325 0.000 1.175 68 L HN 0.154 nan 8.230 nan 0.000 0.431 69 R N 4.306 124.768 120.500 -0.062 0.000 2.347 69 R HA 0.378 4.719 4.340 0.001 0.000 0.304 69 R C -1.462 174.888 176.300 0.083 0.000 1.072 69 R CA -0.278 55.843 56.100 0.035 0.000 0.980 69 R CB 0.222 30.555 30.300 0.054 0.000 0.986 69 R HN 0.783 nan 8.270 nan 0.000 0.448 70 C N 3.640 123.055 119.300 0.192 0.000 2.322 70 C HA 0.389 4.849 4.460 0.001 0.000 0.324 70 C C -0.501 174.679 174.990 0.317 0.000 1.249 70 C CA -0.540 58.701 59.018 0.372 0.000 1.453 70 C CB 1.352 29.432 27.740 0.566 0.000 2.145 70 C HN 0.760 nan 8.230 nan 0.000 0.466 71 T N 4.760 119.506 114.554 0.320 0.000 2.788 71 T HA 0.742 5.092 4.350 0.001 0.000 0.296 71 T C -0.623 174.230 174.700 0.255 0.000 1.009 71 T CA -0.150 62.046 62.100 0.161 0.000 0.949 71 T CB 0.228 69.177 68.868 0.135 0.000 0.946 71 T HN 0.624 nan 8.240 nan 0.000 0.453 72 F N -1.442 118.556 119.950 0.079 0.000 2.719 72 F HA 0.626 5.153 4.527 0.001 0.000 0.309 72 F C 0.526 176.255 175.800 -0.119 0.000 1.138 72 F CA -1.049 56.931 58.000 -0.032 0.000 0.943 72 F CB 0.522 39.484 39.000 -0.063 0.000 1.304 72 F HN 0.622 nan 8.300 nan 0.000 0.445 73 G N 1.906 110.597 108.800 -0.182 0.000 2.341 73 G HA2 -0.169 3.791 3.960 0.001 0.000 0.292 73 G HA3 -0.169 3.791 3.960 0.001 0.000 0.292 73 G C 0.299 175.163 174.900 -0.059 0.000 1.021 73 G CA 1.335 46.241 45.100 -0.323 0.000 0.905 73 G HN 1.767 nan 8.290 nan 0.000 0.508 74 D N -2.008 118.407 120.400 0.025 0.000 3.090 74 D HA -0.169 4.471 4.640 0.001 0.000 0.215 74 D C 0.291 176.767 176.300 0.294 0.000 1.140 74 D CA 2.066 56.152 54.000 0.143 0.000 0.937 74 D CB -1.588 39.316 40.800 0.174 0.000 1.108 74 D HN 0.942 nan 8.370 nan 0.000 0.420 75 H N -0.864 118.121 119.070 -0.142 0.000 2.679 75 H HA 0.596 5.152 4.556 0.001 0.000 0.367 75 H C -0.759 174.434 175.328 -0.224 0.000 1.162 75 H CA -0.894 55.008 56.048 -0.243 0.000 1.181 75 H CB 2.076 31.459 29.762 -0.632 0.000 1.693 75 H HN -0.055 nan 8.280 nan 0.000 0.538 76 S N 1.817 117.489 115.700 -0.047 0.000 2.745 76 S HA 0.254 4.724 4.470 0.001 0.000 0.283 76 S C -0.633 173.954 174.600 -0.022 0.000 1.170 76 S CA -0.693 57.501 58.200 -0.009 0.000 1.119 76 S CB 0.175 63.456 63.200 0.134 0.000 1.035 76 S HN 0.740 nan 8.310 nan 0.000 0.483 77 T N 0.525 115.077 114.554 -0.003 0.000 2.930 77 T HA 0.755 5.105 4.350 0.001 0.000 0.290 77 T C -0.624 174.129 174.700 0.088 0.000 1.052 77 T CA -0.817 61.299 62.100 0.027 0.000 1.017 77 T CB 1.539 70.419 68.868 0.020 0.000 1.137 77 T HN 0.313 nan 8.240 nan 0.000 0.511 78 V N 2.141 122.103 119.914 0.080 0.000 2.315 78 V HA 0.359 4.479 4.120 0.001 0.000 0.265 78 V C -2.623 173.522 176.094 0.085 0.000 1.019 78 V CA -1.784 60.564 62.300 0.081 0.000 0.824 78 V CB 0.250 32.115 31.823 0.070 0.000 1.072 78 V HN 0.755 nan 8.190 nan 0.000 0.448 79 P HA 0.124 nan 4.420 nan 0.000 0.267 79 P C 0.592 177.944 177.300 0.087 0.000 1.200 79 P CA 0.080 63.238 63.100 0.098 0.000 0.772 79 P CB 0.891 32.650 31.700 0.098 0.000 0.855 80 D N 1.191 121.654 120.400 0.105 0.000 2.133 80 D HA -0.101 4.539 4.640 0.001 0.000 0.195 80 D C 0.713 177.044 176.300 0.051 0.000 0.997 80 D CA 1.797 55.866 54.000 0.115 0.000 0.840 80 D CB -0.047 40.852 40.800 0.165 0.000 0.947 80 D HN 0.358 nan 8.370 nan 0.000 0.452 81 I N -0.422 120.152 120.570 0.007 0.000 2.569 81 I HA 0.166 4.337 4.170 0.001 0.000 0.290 81 I C -0.720 175.355 176.117 -0.070 0.000 1.088 81 I CA -0.414 60.854 61.300 -0.054 0.000 1.047 81 I CB 2.540 40.447 38.000 -0.156 0.000 1.237 81 I HN -0.382 nan 8.210 nan 0.000 0.421 82 S N 4.552 120.255 115.700 0.005 0.000 2.478 82 S HA 0.657 5.127 4.470 0.001 0.000 0.312 82 S C -0.507 174.139 174.600 0.078 0.000 1.094 82 S CA -0.605 57.609 58.200 0.023 0.000 1.081 82 S CB 1.895 65.195 63.200 0.166 0.000 1.007 82 S HN 0.293 nan 8.310 nan 0.000 0.475 83 V N 4.353 124.223 119.914 -0.072 0.000 2.448 83 V HA 0.580 4.701 4.120 0.001 0.000 0.295 83 V C -1.105 174.965 176.094 -0.040 0.000 1.025 83 V CA -0.609 61.730 62.300 0.064 0.000 0.859 83 V CB 0.788 32.703 31.823 0.153 0.000 0.988 83 V HN 0.775 nan 8.190 nan 0.000 0.431 84 F N 4.381 124.429 119.950 0.163 0.000 2.520 84 F HA 0.633 5.160 4.527 0.001 0.000 0.322 84 F C 0.494 176.241 175.800 -0.088 0.000 1.103 84 F CA -0.923 57.128 58.000 0.084 0.000 0.926 84 F CB 1.761 40.905 39.000 0.240 0.000 1.154 84 F HN 0.512 nan 8.300 nan 0.000 0.453 85 I N 0.360 120.875 120.570 -0.092 0.000 2.836 85 I HA -0.030 4.141 4.170 0.001 0.000 0.285 85 I C 1.136 177.305 176.117 0.087 0.000 1.174 85 I CA -0.372 60.822 61.300 -0.176 0.000 1.405 85 I CB 0.946 38.771 38.000 -0.291 0.000 1.385 85 I HN 0.789 nan 8.210 nan 0.000 0.594 86 W N 3.262 124.535 121.300 -0.046 0.000 2.318 86 W HA -0.266 4.394 4.660 0.001 0.000 0.313 86 W C 2.670 179.192 176.519 0.005 0.000 1.221 86 W CA 2.646 59.993 57.345 0.004 0.000 1.266 86 W CB -0.250 29.206 29.460 -0.005 0.000 1.150 86 W HN 0.897 nan 8.180 nan 0.000 0.496 87 S N 0.165 115.967 115.700 0.171 0.000 2.442 87 S HA -0.136 4.334 4.470 0.001 0.000 0.236 87 S C 1.571 176.176 174.600 0.008 0.000 1.007 87 S CA 0.899 59.147 58.200 0.080 0.000 0.965 87 S CB -0.474 62.770 63.200 0.072 0.000 0.773 87 S HN 0.325 nan 8.310 nan 0.000 0.504 88 R N 0.054 120.562 120.500 0.014 0.000 2.312 88 R HA 0.405 4.746 4.340 0.001 0.000 0.205 88 R C -0.208 176.033 176.300 -0.098 0.000 0.904 88 R CA -0.105 56.002 56.100 0.013 0.000 1.052 88 R CB 0.019 30.399 30.300 0.133 0.000 1.014 88 R HN 0.434 nan 8.270 nan 0.000 0.503 89 I N 4.568 125.030 120.570 -0.181 0.000 2.494 89 I HA 0.044 4.214 4.170 0.001 0.000 0.289 89 I C -1.877 173.950 176.117 -0.484 0.000 1.106 89 I CA -1.736 59.340 61.300 -0.372 0.000 1.369 89 I CB 0.500 38.294 38.000 -0.344 0.000 1.410 89 I HN -0.216 nan 8.210 nan 0.000 0.523 90 P HA 0.171 nan 4.420 nan 0.000 0.271 90 P C -0.807 176.216 177.300 -0.463 0.000 1.220 90 P CA -0.050 62.693 63.100 -0.595 0.000 0.768 90 P CB 0.626 31.862 31.700 -0.773 0.000 0.848 91 R N 1.892 122.220 120.500 -0.286 0.000 2.750 91 R HA 0.359 4.699 4.340 0.001 0.000 0.281 91 R C 0.272 176.486 176.300 -0.143 0.000 0.972 91 R CA -0.874 55.108 56.100 -0.196 0.000 0.912 91 R CB 2.068 32.281 30.300 -0.145 0.000 1.187 91 R HN 0.486 nan 8.270 nan 0.000 0.464 92 E N 0.965 121.099 120.200 -0.109 0.000 2.369 92 E HA 0.057 4.407 4.350 0.001 0.000 0.255 92 E C 1.329 177.894 176.600 -0.058 0.000 1.172 92 E CA 0.274 56.627 56.400 -0.079 0.000 0.932 92 E CB 0.522 30.185 29.700 -0.062 0.000 1.040 92 E HN 0.758 nan 8.360 nan 0.000 0.454 93 E N 1.589 121.762 120.200 -0.045 0.000 2.130 93 E HA -0.275 4.076 4.350 0.001 0.000 0.196 93 E C 1.360 177.946 176.600 -0.023 0.000 0.998 93 E CA 2.059 58.440 56.400 -0.032 0.000 0.806 93 E CB -1.111 28.573 29.700 -0.027 0.000 0.738 93 E HN 0.627 nan 8.360 nan 0.000 0.459 94 N N -1.029 117.658 118.700 -0.022 0.000 2.550 94 N HA 0.225 4.966 4.740 0.001 0.000 0.186 94 N C 1.593 177.098 175.510 -0.009 0.000 1.110 94 N CA 1.304 54.346 53.050 -0.013 0.000 0.912 94 N CB 0.372 38.852 38.487 -0.011 0.000 0.968 94 N HN 0.883 nan 8.380 nan 0.000 0.448 95 G N -1.114 107.676 108.800 -0.018 0.000 2.195 95 G HA2 -0.266 3.694 3.960 0.001 0.000 0.246 95 G HA3 -0.266 3.694 3.960 0.001 0.000 0.246 95 G C -0.319 174.570 174.900 -0.018 0.000 0.984 95 G CA 0.078 45.171 45.100 -0.012 0.000 0.633 95 G HN 0.437 nan 8.290 nan 0.000 0.525 96 E N 0.324 120.510 120.200 -0.023 0.000 2.374 96 E HA 0.423 4.773 4.350 0.001 0.000 0.260 96 E C 0.880 177.445 176.600 -0.058 0.000 1.101 96 E CA -0.567 55.819 56.400 -0.023 0.000 0.907 96 E CB 1.198 30.891 29.700 -0.011 0.000 1.014 96 E HN 0.423 nan 8.360 nan 0.000 0.427 97 I N 1.634 122.172 120.570 -0.053 0.000 2.710 97 I HA -0.046 4.125 4.170 0.001 0.000 0.286 97 I C 0.834 176.897 176.117 -0.090 0.000 1.181 97 I CA 0.007 61.253 61.300 -0.090 0.000 1.430 97 I CB 0.387 38.380 38.000 -0.011 0.000 1.367 97 I HN 0.477 nan 8.210 nan 0.000 0.577 98 A N 5.175 127.886 122.820 -0.181 0.000 2.406 98 A HA 0.098 4.419 4.320 0.001 0.000 0.243 98 A C 0.809 178.361 177.584 -0.053 0.000 1.082 98 A CA -0.112 51.828 52.037 -0.163 0.000 0.786 98 A CB -0.037 18.790 19.000 -0.288 0.000 1.029 98 A HN 0.879 nan 8.150 nan 0.000 0.495 99 N N -0.412 118.271 118.700 -0.028 0.000 2.376 99 N HA 0.100 4.840 4.740 0.001 0.000 0.177 99 N C -0.381 175.170 175.510 0.068 0.000 1.024 99 N CA 0.636 53.696 53.050 0.016 0.000 0.893 99 N CB -0.045 38.437 38.487 -0.009 0.000 0.980 99 N HN 0.650 nan 8.380 nan 0.000 0.439 100 I N 0.222 120.817 120.570 0.041 0.000 2.404 100 I HA 0.258 4.428 4.170 0.001 0.000 0.293 100 I C -1.133 175.027 176.117 0.073 0.000 0.992 100 I CA -0.605 60.740 61.300 0.076 0.000 1.149 100 I CB 1.361 39.368 38.000 0.011 0.000 1.315 100 I HN -0.168 nan 8.210 nan 0.000 0.446 101 F N 6.203 126.084 119.950 -0.116 0.000 2.403 101 F HA 0.422 4.949 4.527 0.001 0.000 0.355 101 F C 0.380 176.188 175.800 0.014 0.000 1.119 101 F CA -0.495 57.426 58.000 -0.130 0.000 1.007 101 F CB 1.236 40.102 39.000 -0.223 0.000 1.194 101 F HN 0.290 nan 8.300 nan 0.000 0.443 102 L N 5.639 126.926 121.223 0.108 0.000 2.848 102 L HA 0.388 4.728 4.340 0.001 0.000 0.240 102 L C -0.258 176.726 176.870 0.189 0.000 1.232 102 L CA 0.089 55.019 54.840 0.150 0.000 1.031 102 L CB -0.504 41.594 42.059 0.065 0.000 1.338 102 L HN 0.455 nan 8.230 nan 0.000 0.509 103 I N -4.215 116.489 120.570 0.223 0.000 3.074 103 I HA 0.823 4.993 4.170 0.001 0.000 0.310 103 I C -0.097 176.006 176.117 -0.023 0.000 1.153 103 I CA -1.117 60.242 61.300 0.099 0.000 0.993 103 I CB 1.693 39.749 38.000 0.094 0.000 1.237 103 I HN -0.157 nan 8.210 nan 0.000 0.443 104 A N 3.148 125.601 122.820 -0.612 0.000 2.388 104 A HA 0.728 5.049 4.320 0.001 0.000 0.257 104 A C -2.470 174.919 177.584 -0.326 0.000 1.095 104 A CA -1.331 50.154 52.037 -0.921 0.000 0.791 104 A CB -0.602 17.746 19.000 -1.087 0.000 1.029 104 A HN 0.599 nan 8.150 nan 0.000 0.489 105 P HA 0.104 nan 4.420 nan 0.000 0.272 105 P C 0.042 177.058 177.300 -0.474 0.000 1.230 105 P CA -0.256 62.258 63.100 -0.978 0.000 0.788 105 P CB 0.581 31.912 31.700 -0.615 0.000 0.949 106 D N -0.806 119.350 120.400 -0.408 0.000 2.183 106 D HA -0.054 4.587 4.640 0.001 0.000 0.203 106 D C -0.171 176.241 176.300 0.187 0.000 0.969 106 D CA 1.474 55.453 54.000 -0.035 0.000 0.842 106 D CB 0.223 41.020 40.800 -0.005 0.000 0.957 106 D HN 0.370 nan 8.370 nan 0.000 0.484 107 W N 1.354 122.608 121.300 -0.076 0.000 2.968 107 W HA 0.300 4.961 4.660 0.001 0.000 0.337 107 W C -1.276 175.185 176.519 -0.098 0.000 1.060 107 W CA -1.039 56.271 57.345 -0.058 0.000 1.240 107 W CB 0.936 30.377 29.460 -0.031 0.000 1.370 107 W HN -0.464 nan 8.180 nan 0.000 0.459 108 T N 7.032 121.691 114.554 0.175 0.000 2.824 108 T HA 0.756 5.107 4.350 0.001 0.000 0.280 108 T C -0.777 173.927 174.700 0.006 0.000 0.995 108 T CA -0.318 61.799 62.100 0.028 0.000 1.009 108 T CB 0.335 69.264 68.868 0.102 0.000 0.955 108 T HN 0.282 nan 8.240 nan 0.000 0.452 109 I N 4.410 124.930 120.570 -0.085 0.000 2.447 109 I HA 0.437 4.607 4.170 0.001 0.000 0.287 109 I C -0.270 175.914 176.117 0.112 0.000 1.023 109 I CA -0.800 60.518 61.300 0.030 0.000 1.083 109 I CB 1.857 39.765 38.000 -0.154 0.000 1.245 109 I HN 0.454 nan 8.210 nan 0.000 0.434 110 E N 7.068 127.394 120.200 0.209 0.000 2.187 110 E HA 0.601 4.951 4.350 0.001 0.000 0.268 110 E C -0.960 175.783 176.600 0.239 0.000 0.896 110 E CA -0.655 55.868 56.400 0.204 0.000 0.766 110 E CB 3.146 32.957 29.700 0.186 0.000 1.142 110 E HN 0.425 nan 8.360 nan 0.000 0.408 111 I N 3.025 123.746 120.570 0.252 0.000 2.418 111 I HA 0.246 4.416 4.170 0.001 0.000 0.287 111 I C 0.128 176.459 176.117 0.357 0.000 1.008 111 I CA -0.599 60.853 61.300 0.254 0.000 1.104 111 I CB 1.311 39.340 38.000 0.048 0.000 1.264 111 I HN 0.229 nan 8.210 nan 0.000 0.438 112 L N 5.417 126.810 121.223 0.284 0.000 2.461 112 L HA 0.358 4.699 4.340 0.001 0.000 0.272 112 L C 0.411 177.432 176.870 0.253 0.000 1.197 112 L CA 0.166 55.144 54.840 0.230 0.000 0.836 112 L CB 0.703 42.872 42.059 0.182 0.000 1.105 112 L HN 0.760 nan 8.230 nan 0.000 0.477 113 S N 0.623 116.409 115.700 0.142 0.000 2.588 113 S HA 0.496 4.966 4.470 0.001 0.000 0.275 113 S C -2.223 172.405 174.600 0.047 0.000 1.130 113 S CA -1.281 56.972 58.200 0.088 0.000 0.855 113 S CB 1.880 65.057 63.200 -0.040 0.000 1.116 113 S HN 0.310 nan 8.310 nan 0.000 0.472 114 P HA -0.126 nan 4.420 nan 0.000 0.218 114 P C 0.298 177.609 177.300 0.018 0.000 1.154 114 P CA 1.466 64.584 63.100 0.030 0.000 0.872 114 P CB -0.031 31.684 31.700 0.025 0.000 0.790 115 D N -2.070 118.332 120.400 0.003 0.000 2.328 115 D HA 0.021 4.661 4.640 0.001 0.000 0.221 115 D C 0.748 177.046 176.300 -0.004 0.000 1.072 115 D CA 0.263 54.262 54.000 -0.002 0.000 0.850 115 D CB -0.163 40.631 40.800 -0.010 0.000 0.922 115 D HN 0.195 nan 8.370 nan 0.000 0.516 116 Q N 0.915 120.715 119.800 0.001 0.000 2.327 116 Q HA 0.112 4.452 4.340 0.001 0.000 0.254 116 Q C -0.295 175.716 176.000 0.019 0.000 0.952 116 Q CA -0.125 55.683 55.803 0.008 0.000 0.884 116 Q CB 1.021 29.773 28.738 0.023 0.000 1.224 116 Q HN -0.124 nan 8.270 nan 0.000 0.422 117 S N 3.138 118.845 115.700 0.012 0.000 2.400 117 S HA 0.070 4.540 4.470 0.001 0.000 0.295 117 S C 0.728 175.343 174.600 0.025 0.000 1.113 117 S CA -0.273 57.934 58.200 0.011 0.000 1.064 117 S CB 0.543 63.739 63.200 -0.006 0.000 0.990 117 S HN 0.841 nan 8.310 nan 0.000 0.502 118 Q N 3.598 123.421 119.800 0.038 0.000 2.170 118 Q HA -0.109 4.231 4.340 0.001 0.000 0.203 118 Q C 1.550 177.567 176.000 0.027 0.000 0.976 118 Q CA 1.990 57.825 55.803 0.053 0.000 0.858 118 Q CB -0.217 28.563 28.738 0.070 0.000 0.907 118 Q HN 0.829 nan 8.270 nan 0.000 0.433 119 T N 0.660 115.220 114.554 0.011 0.000 2.674 119 T HA -0.168 4.183 4.350 0.001 0.000 0.265 119 T C 1.590 176.284 174.700 -0.010 0.000 1.039 119 T CA 1.489 63.588 62.100 -0.003 0.000 1.150 119 T CB -0.173 68.691 68.868 -0.007 0.000 0.864 119 T HN 0.311 nan 8.240 nan 0.000 0.427 120 K N 0.761 121.153 120.400 -0.014 0.000 2.032 120 K HA -0.112 4.209 4.320 0.001 0.000 0.209 120 K C 2.223 178.815 176.600 -0.013 0.000 1.048 120 K CA 1.276 57.548 56.287 -0.026 0.000 0.927 120 K CB -0.391 32.088 32.500 -0.035 0.000 0.712 120 K HN 0.140 nan 8.250 nan 0.000 0.441 121 V N 1.122 121.039 119.914 0.006 0.000 2.343 121 V HA -0.245 3.876 4.120 0.001 0.000 0.247 121 V C 2.236 178.319 176.094 -0.018 0.000 1.051 121 V CA 2.330 64.643 62.300 0.021 0.000 1.036 121 V CB -0.601 31.259 31.823 0.062 0.000 0.654 121 V HN 0.505 nan 8.190 nan 0.000 0.451 122 T N -0.488 114.044 114.554 -0.037 0.000 2.708 122 T HA -0.205 4.145 4.350 0.001 0.000 0.266 122 T C 1.930 176.572 174.700 -0.097 0.000 1.037 122 T CA 1.503 63.533 62.100 -0.117 0.000 1.146 122 T CB -0.211 68.627 68.868 -0.049 0.000 0.865 122 T HN 0.469 nan 8.240 nan 0.000 0.435 123 K N 0.992 121.376 120.400 -0.027 0.000 2.063 123 K HA -0.089 4.232 4.320 0.001 0.000 0.208 123 K C 2.306 178.943 176.600 0.061 0.000 1.048 123 K CA 1.280 57.577 56.287 0.016 0.000 0.928 123 K CB -0.170 32.336 32.500 0.010 0.000 0.713 123 K HN 0.175 nan 8.250 nan 0.000 0.442 124 N N 1.099 119.825 118.700 0.044 0.000 2.120 124 N HA -0.114 4.627 4.740 0.001 0.000 0.188 124 N C 1.837 177.426 175.510 0.132 0.000 1.024 124 N CA 1.111 54.222 53.050 0.102 0.000 0.852 124 N CB -0.203 38.322 38.487 0.063 0.000 1.003 124 N HN 0.166 nan 8.380 nan 0.000 0.424 125 I N 0.737 121.316 120.570 0.014 0.000 2.226 125 I HA -0.215 3.955 4.170 0.001 0.000 0.245 125 I C 1.921 178.032 176.117 -0.009 0.000 1.100 125 I CA 0.805 62.081 61.300 -0.041 0.000 1.374 125 I CB -0.196 37.628 38.000 -0.294 0.000 1.057 125 I HN 0.055 nan 8.210 nan 0.000 0.413 126 L N -0.290 120.914 121.223 -0.032 0.000 2.141 126 L HA -0.240 4.100 4.340 0.001 0.000 0.209 126 L C 2.641 179.589 176.870 0.131 0.000 1.094 126 L CA 1.270 56.138 54.840 0.045 0.000 0.763 126 L CB -0.813 41.274 42.059 0.046 0.000 0.908 126 L HN 0.325 nan 8.230 nan 0.000 0.437 127 H N -0.782 118.351 119.070 0.106 0.000 2.357 127 H HA -0.153 4.403 4.556 0.001 0.000 0.301 127 H C 2.330 177.875 175.328 0.361 0.000 1.082 127 H CA 1.853 58.009 56.048 0.181 0.000 1.342 127 H CB -0.121 29.707 29.762 0.111 0.000 1.389 127 H HN 0.275 nan 8.280 nan 0.000 0.511 128 C N -0.085 119.423 119.300 0.346 0.000 2.413 128 C HA -0.124 4.337 4.460 0.001 0.000 0.276 128 C C 2.763 177.815 174.990 0.103 0.000 1.236 128 C CA 0.933 60.129 59.018 0.296 0.000 1.735 128 C CB -1.154 26.734 27.740 0.246 0.000 2.031 128 C HN 0.518 nan 8.230 nan 0.000 0.474 129 L N 0.962 122.236 121.223 0.085 0.000 2.131 129 L HA -0.099 4.242 4.340 0.001 0.000 0.210 129 L C 2.462 179.316 176.870 -0.027 0.000 1.092 129 L CA 1.648 56.514 54.840 0.044 0.000 0.759 129 L CB -0.712 41.396 42.059 0.081 0.000 0.903 129 L HN 0.346 nan 8.230 nan 0.000 0.435 130 K N -1.416 118.937 120.400 -0.078 0.000 2.288 130 K HA -0.094 4.226 4.320 0.001 0.000 0.201 130 K C 0.754 177.046 176.600 -0.513 0.000 1.048 130 K CA 0.837 56.967 56.287 -0.262 0.000 0.956 130 K CB 0.100 32.422 32.500 -0.296 0.000 0.746 130 K HN 0.454 nan 8.250 nan 0.000 0.461 131 H N -1.449 117.549 119.070 -0.120 0.000 2.475 131 H HA 0.172 4.728 4.556 0.001 0.000 0.276 131 H C 0.637 175.860 175.328 -0.175 0.000 1.126 131 H CA 0.631 56.595 56.048 -0.140 0.000 1.023 131 H CB 1.324 31.012 29.762 -0.124 0.000 1.669 131 H HN 0.470 nan 8.280 nan 0.000 0.573 132 G N 1.003 109.759 108.800 -0.074 0.000 2.201 132 G HA2 -0.263 3.698 3.960 0.001 0.000 0.212 132 G HA3 -0.263 3.698 3.960 0.001 0.000 0.212 132 G C 0.504 175.376 174.900 -0.048 0.000 0.994 132 G CA 0.064 45.130 45.100 -0.058 0.000 0.644 132 G HN 0.313 nan 8.290 nan 0.000 0.508 133 T N 2.491 117.014 114.554 -0.052 0.000 2.928 133 T HA 0.390 4.741 4.350 0.001 0.000 0.305 133 T C 0.898 175.619 174.700 0.035 0.000 1.035 133 T CA 0.504 62.596 62.100 -0.013 0.000 1.145 133 T CB 0.958 69.834 68.868 0.013 0.000 0.963 133 T HN 0.525 nan 8.240 nan 0.000 0.545 137 W N 1.472 123.045 121.300 0.455 0.000 2.587 137 W HA 0.689 5.349 4.660 0.001 0.000 0.324 137 W C -0.452 176.287 176.519 0.366 0.000 1.040 137 W CA -1.230 56.372 57.345 0.428 0.000 1.222 137 W CB 2.018 31.714 29.460 0.393 0.000 1.381 137 W HN 0.407 nan 8.180 nan 0.000 0.483 138 L N 5.944 127.530 121.223 0.604 0.000 2.324 138 L HA 0.521 4.861 4.340 0.001 0.000 0.274 138 L C -0.696 176.408 176.870 0.390 0.000 1.012 138 L CA -0.519 54.620 54.840 0.497 0.000 0.859 138 L CB 0.423 42.847 42.059 0.609 0.000 1.224 138 L HN 0.258 nan 8.230 nan 0.000 0.429 139 I N 3.971 124.729 120.570 0.313 0.000 2.342 139 I HA 0.201 4.372 4.170 0.001 0.000 0.291 139 I C -0.278 176.001 176.117 0.272 0.000 1.010 139 I CA -0.145 61.312 61.300 0.261 0.000 1.308 139 I CB 1.247 39.381 38.000 0.224 0.000 1.400 139 I HN 0.480 nan 8.210 nan 0.000 0.488 140 D N 9.159 129.696 120.400 0.228 0.000 2.477 140 D HA 0.281 4.921 4.640 0.001 0.000 0.239 140 D C -1.940 174.400 176.300 0.066 0.000 1.102 140 D CA -2.265 51.821 54.000 0.144 0.000 0.901 140 D CB 1.758 42.607 40.800 0.081 0.000 1.026 140 D HN 0.133 nan 8.370 nan 0.000 0.515 141 P HA -0.096 nan 4.420 nan 0.000 0.215 141 P C 0.816 178.056 177.300 -0.100 0.000 1.153 141 P CA 0.838 64.022 63.100 0.140 0.000 0.853 141 P CB 0.480 32.313 31.700 0.222 0.000 0.788 142 D N -0.565 119.810 120.400 -0.040 0.000 2.123 142 D HA -0.150 4.491 4.640 0.001 0.000 0.196 142 D C 1.578 177.793 176.300 -0.142 0.000 0.992 142 D CA 1.121 55.083 54.000 -0.064 0.000 0.833 142 D CB -0.432 40.361 40.800 -0.012 0.000 0.954 142 D HN 0.287 nan 8.370 nan 0.000 0.455 143 E N 0.203 120.296 120.200 -0.178 0.000 2.474 143 E HA 0.020 4.370 4.350 0.001 0.000 0.195 143 E C 0.000 176.361 176.600 -0.398 0.000 1.039 143 E CA -0.056 56.215 56.400 -0.216 0.000 0.881 143 E CB 0.290 29.907 29.700 -0.140 0.000 0.970 143 E HN 0.362 nan 8.360 nan 0.000 0.486 144 Q N 0.628 119.996 119.800 -0.720 0.000 2.439 144 Q HA -0.145 4.195 4.340 0.001 0.000 0.325 144 Q C -0.675 174.794 176.000 -0.886 0.000 1.372 144 Q CA 0.648 55.545 55.803 -1.510 0.000 0.909 144 Q CB -1.612 26.534 28.738 -0.987 0.000 1.167 144 Q HN 0.055 nan 8.270 nan 0.000 0.418 145 T N -0.400 113.839 114.554 -0.525 0.000 2.893 145 T HA 0.638 4.989 4.350 0.001 0.000 0.291 145 T C -0.427 174.204 174.700 -0.114 0.000 1.028 145 T CA -0.606 61.324 62.100 -0.284 0.000 0.995 145 T CB 2.201 70.820 68.868 -0.415 0.000 1.051 145 T HN 0.051 nan 8.240 nan 0.000 0.470 146 V N 3.136 122.955 119.914 -0.158 0.000 2.444 146 V HA 0.524 4.644 4.120 0.001 0.000 0.294 146 V C -1.091 174.898 176.094 -0.175 0.000 1.022 146 V CA -0.913 61.306 62.300 -0.136 0.000 0.850 146 V CB 1.105 32.755 31.823 -0.288 0.000 0.992 146 V HN 0.773 nan 8.190 nan 0.000 0.426 147 F N 3.450 123.463 119.950 0.105 0.000 2.404 147 F HA 0.569 5.096 4.527 0.001 0.000 0.345 147 F C 0.273 176.143 175.800 0.116 0.000 1.110 147 F CA -0.609 57.429 58.000 0.064 0.000 1.130 147 F CB 1.657 40.700 39.000 0.072 0.000 1.129 147 F HN 0.165 nan 8.300 nan 0.000 0.500 148 V N 4.627 124.683 119.914 0.237 0.000 2.398 148 V HA 0.316 4.437 4.120 0.001 0.000 0.286 148 V C -0.962 175.184 176.094 0.087 0.000 1.026 148 V CA -0.959 61.520 62.300 0.298 0.000 0.868 148 V CB 1.054 33.074 31.823 0.329 0.000 0.982 148 V HN 0.499 nan 8.190 nan 0.000 0.443 149 Y N 4.547 125.029 120.300 0.303 0.000 2.328 149 Y HA 0.685 5.235 4.550 0.001 0.000 0.337 149 Y C 0.500 176.499 175.900 0.166 0.000 0.966 149 Y CA -0.590 57.637 58.100 0.212 0.000 1.136 149 Y CB 1.559 40.142 38.460 0.205 0.000 1.170 149 Y HN 0.478 nan 8.280 nan 0.000 0.470 150 R N 3.499 124.136 120.500 0.229 0.000 2.750 150 R HA 0.488 4.828 4.340 0.001 0.000 0.281 150 R C -2.934 173.440 176.300 0.123 0.000 0.972 150 R CA -2.329 53.858 56.100 0.145 0.000 0.912 150 R CB 1.670 32.026 30.300 0.092 0.000 1.187 150 R HN 0.331 nan 8.270 nan 0.000 0.464 151 P HA 0.005 nan 4.420 nan 0.000 0.265 151 P C -0.802 176.531 177.300 0.053 0.000 1.193 151 P CA 0.241 63.380 63.100 0.065 0.000 0.765 151 P CB 0.587 32.309 31.700 0.037 0.000 0.823 152 Q N -1.163 118.668 119.800 0.051 0.000 2.480 152 Q HA -0.253 4.088 4.340 0.001 0.000 0.265 152 Q C -0.459 175.566 176.000 0.041 0.000 1.072 152 Q CA 1.428 57.255 55.803 0.039 0.000 1.018 152 Q CB -2.087 26.666 28.738 0.025 0.000 1.433 152 Q HN 0.602 nan 8.270 nan 0.000 0.513 153 Q N -0.461 119.372 119.800 0.055 0.000 2.375 153 Q HA 0.393 4.734 4.340 0.001 0.000 0.271 153 Q C -0.526 175.499 176.000 0.043 0.000 1.074 153 Q CA -0.797 55.033 55.803 0.046 0.000 0.808 153 Q CB 1.845 30.613 28.738 0.050 0.000 1.327 153 Q HN 0.276 nan 8.270 nan 0.000 0.441 154 E N 0.948 121.161 120.200 0.022 0.000 2.467 154 E HA -0.008 4.343 4.350 0.001 0.000 0.264 154 E C -0.732 175.852 176.600 -0.028 0.000 1.020 154 E CA 0.130 56.531 56.400 0.002 0.000 0.945 154 E CB 0.685 30.381 29.700 -0.006 0.000 0.942 154 E HN 0.405 nan 8.360 nan 0.000 0.449 155 T N 4.252 118.755 114.554 -0.086 0.000 2.940 155 T HA 0.022 4.372 4.350 0.001 0.000 0.309 155 T C -0.197 174.440 174.700 -0.106 0.000 1.056 155 T CA 0.252 62.213 62.100 -0.231 0.000 1.137 155 T CB 0.459 69.099 68.868 -0.379 0.000 0.976 155 T HN 0.405 nan 8.240 nan 0.000 0.547 156 E N 1.188 121.351 120.200 -0.061 0.000 2.195 156 E HA 0.518 4.869 4.350 0.001 0.000 0.271 156 E C -0.909 175.648 176.600 -0.071 0.000 0.923 156 E CA -0.834 55.542 56.400 -0.040 0.000 0.790 156 E CB 1.751 31.518 29.700 0.112 0.000 1.155 156 E HN 0.281 nan 8.360 nan 0.000 0.402 157 V N 3.146 122.849 119.914 -0.352 0.000 2.459 157 V HA 0.431 4.551 4.120 0.001 0.000 0.295 157 V C -0.874 174.691 176.094 -0.881 0.000 1.029 157 V CA -0.713 61.339 62.300 -0.413 0.000 0.874 157 V CB 0.598 32.269 31.823 -0.254 0.000 0.985 157 V HN 0.522 nan 8.190 nan 0.000 0.438 158 F N 3.369 123.188 119.950 -0.219 0.000 2.499 158 F HA 0.543 5.070 4.527 0.001 0.000 0.333 158 F C 0.182 175.867 175.800 -0.191 0.000 1.138 158 F CA -0.712 57.182 58.000 -0.178 0.000 0.945 158 F CB 2.001 40.891 39.000 -0.182 0.000 1.181 158 F HN 0.715 nan 8.300 nan 0.000 0.435 159 D N -1.184 119.174 120.400 -0.070 0.000 2.480 159 D HA 0.028 4.668 4.640 0.001 0.000 0.276 159 D C -0.219 176.047 176.300 -0.058 0.000 1.294 159 D CA -0.025 53.920 54.000 -0.091 0.000 0.829 159 D CB -0.028 40.670 40.800 -0.169 0.000 1.242 159 D HN 0.116 nan 8.370 nan 0.000 0.513 160 E N 1.741 121.925 120.200 -0.026 0.000 2.290 160 E HA 0.168 4.519 4.350 0.001 0.000 0.277 160 E C -1.599 175.002 176.600 0.001 0.000 1.035 160 E CA -1.684 54.706 56.400 -0.018 0.000 0.873 160 E CB 1.584 31.277 29.700 -0.011 0.000 1.029 160 E HN 0.022 nan 8.360 nan 0.000 0.419 161 P HA -0.146 nan 4.420 nan 0.000 0.216 161 P C 0.392 177.691 177.300 -0.002 0.000 1.150 161 P CA 1.209 64.308 63.100 -0.001 0.000 0.843 161 P CB 0.363 32.057 31.700 -0.009 0.000 0.787 162 D N -1.181 119.218 120.400 -0.002 0.000 2.349 162 D HA 0.097 4.737 4.640 0.001 0.000 0.215 162 D C 0.825 177.129 176.300 0.006 0.000 1.016 162 D CA 0.229 54.227 54.000 -0.002 0.000 0.870 162 D CB -0.260 40.538 40.800 -0.004 0.000 0.917 162 D HN 0.101 nan 8.370 nan 0.000 0.524 163 A N 0.974 123.809 122.820 0.025 0.000 2.440 163 A HA 0.319 4.639 4.320 0.001 0.000 0.251 163 A C 0.327 177.920 177.584 0.015 0.000 1.089 163 A CA -0.227 51.844 52.037 0.058 0.000 0.779 163 A CB 0.261 19.348 19.000 0.146 0.000 1.022 163 A HN 0.157 nan 8.150 nan 0.000 0.492 164 L N 2.836 124.054 121.223 -0.008 0.000 2.349 164 L HA 0.270 4.610 4.340 0.001 0.000 0.275 164 L C -0.248 176.484 176.870 -0.229 0.000 1.115 164 L CA -0.663 54.139 54.840 -0.064 0.000 0.820 164 L CB 1.255 43.306 42.059 -0.013 0.000 1.135 164 L HN 0.452 nan 8.230 nan 0.000 0.445 165 V N 4.119 123.864 119.914 -0.280 0.000 2.461 165 V HA 0.195 4.316 4.120 0.001 0.000 0.275 165 V C -1.919 173.985 176.094 -0.316 0.000 1.047 165 V CA -1.613 60.352 62.300 -0.560 0.000 0.955 165 V CB 0.736 32.181 31.823 -0.631 0.000 0.988 165 V HN 0.638 nan 8.190 nan 0.000 0.471 166 P HA 0.239 nan 4.420 nan 0.000 0.269 166 P C -0.608 176.706 177.300 0.022 0.000 1.209 166 P CA 0.090 63.079 63.100 -0.184 0.000 0.776 166 P CB 0.620 32.201 31.700 -0.198 0.000 0.876 167 V N -0.518 119.276 119.914 -0.201 0.000 3.001 167 V HA 0.719 4.840 4.120 0.001 0.000 0.314 167 V C -2.672 172.986 176.094 -0.727 0.000 1.099 167 V CA -2.933 59.001 62.300 -0.610 0.000 0.989 167 V CB 1.121 32.613 31.823 -0.551 0.000 1.040 167 V HN 0.296 nan 8.190 nan 0.000 0.434 168 P HA 0.209 nan 4.420 nan 0.000 0.269 168 P C 1.072 177.971 177.300 -0.667 0.000 1.215 168 P CA 0.354 62.959 63.100 -0.825 0.000 0.780 168 P CB 0.700 31.773 31.700 -1.045 0.000 0.898 169 S N 1.258 116.754 115.700 -0.340 0.000 2.419 169 S HA -0.232 4.239 4.470 0.001 0.000 0.235 169 S C 1.672 176.185 174.600 -0.145 0.000 1.019 169 S CA 1.297 59.382 58.200 -0.192 0.000 0.982 169 S CB -1.490 61.669 63.200 -0.069 0.000 0.789 169 S HN 0.567 nan 8.310 nan 0.000 0.490 170 F N 1.990 121.891 119.950 -0.082 0.000 2.365 170 F HA 0.449 4.976 4.527 0.001 0.000 0.300 170 F C 1.815 177.589 175.800 -0.043 0.000 1.090 170 F CA 0.138 58.116 58.000 -0.037 0.000 1.408 170 F CB -0.684 38.321 39.000 0.007 0.000 1.060 170 F HN 0.287 nan 8.300 nan 0.000 0.534 171 A N 0.365 122.829 122.820 -0.594 0.000 2.500 171 A HA 0.266 4.586 4.320 0.001 0.000 0.267 171 A C 1.999 179.400 177.584 -0.305 0.000 1.290 171 A CA 0.353 52.166 52.037 -0.373 0.000 0.928 171 A CB -1.171 17.505 19.000 -0.540 0.000 1.066 171 A HN 0.412 nan 8.150 nan 0.000 0.516 172 S N 0.221 115.768 115.700 -0.255 0.000 2.462 172 S HA -0.175 4.295 4.470 0.001 0.000 0.243 172 S C 1.172 175.624 174.600 -0.246 0.000 1.003 172 S CA 1.375 59.451 58.200 -0.206 0.000 0.970 172 S CB -0.240 62.890 63.200 -0.117 0.000 0.762 172 S HN 0.517 nan 8.310 nan 0.000 0.510 173 E N 0.539 120.607 120.200 -0.220 0.000 2.347 173 E HA 0.139 4.489 4.350 0.001 0.000 0.196 173 E C 0.381 176.687 176.600 -0.489 0.000 1.008 173 E CA 0.032 56.268 56.400 -0.273 0.000 0.852 173 E CB -0.343 29.296 29.700 -0.102 0.000 0.783 173 E HN 0.522 nan 8.360 nan 0.000 0.505 174 L N 2.849 123.849 121.223 -0.371 0.000 2.315 174 L HA 0.056 4.397 4.340 0.001 0.000 0.283 174 L C -0.628 176.028 176.870 -0.356 0.000 1.089 174 L CA 0.041 54.731 54.840 -0.249 0.000 0.833 174 L CB 0.190 42.227 42.059 -0.036 0.000 1.170 174 L HN -0.056 nan 8.230 nan 0.000 0.442 175 H N 6.727 125.829 119.070 0.052 0.000 2.683 175 H HA 0.338 4.894 4.556 0.001 0.000 0.270 175 H C -0.954 174.403 175.328 0.048 0.000 1.201 175 H CA -0.668 55.400 56.048 0.033 0.000 1.277 175 H CB 1.160 30.932 29.762 0.016 0.000 1.400 175 H HN 0.459 nan 8.280 nan 0.000 0.504 176 L N 3.351 124.656 121.223 0.136 0.000 2.294 176 L HA 0.274 4.614 4.340 0.001 0.000 0.283 176 L C 0.408 177.265 176.870 -0.022 0.000 1.015 176 L CA -0.456 54.432 54.840 0.080 0.000 0.831 176 L CB 1.008 43.164 42.059 0.162 0.000 1.217 176 L HN 0.451 nan 8.230 nan 0.000 0.420 177 S N 4.617 120.283 115.700 -0.056 0.000 2.632 177 S HA 0.332 4.802 4.470 0.001 0.000 0.267 177 S C 1.430 175.933 174.600 -0.161 0.000 1.276 177 S CA -0.822 57.329 58.200 -0.082 0.000 0.998 177 S CB 0.875 64.047 63.200 -0.048 0.000 0.953 177 S HN 0.553 nan 8.310 nan 0.000 0.547 178 I N 1.467 121.977 120.570 -0.100 0.000 2.163 178 I HA -0.173 3.997 4.170 0.001 0.000 0.243 178 I C 2.555 178.655 176.117 -0.029 0.000 1.085 178 I CA 2.106 63.383 61.300 -0.039 0.000 1.347 178 I CB -1.304 36.739 38.000 0.072 0.000 1.044 178 I HN 0.957 nan 8.210 nan 0.000 0.408 179 K N 1.026 121.405 120.400 -0.035 0.000 2.063 179 K HA -0.228 4.092 4.320 0.001 0.000 0.208 179 K C 1.640 178.155 176.600 -0.142 0.000 1.048 179 K CA 2.033 58.297 56.287 -0.037 0.000 0.928 179 K CB -0.131 32.354 32.500 -0.025 0.000 0.713 179 K HN 0.172 nan 8.250 nan 0.000 0.442 180 D N 1.028 121.298 120.400 -0.218 0.000 2.097 180 D HA -0.165 4.475 4.640 0.001 0.000 0.195 180 D C 1.995 177.780 176.300 -0.858 0.000 0.989 180 D CA 1.010 54.812 54.000 -0.330 0.000 0.827 180 D CB -0.218 40.469 40.800 -0.189 0.000 0.966 180 D HN 0.243 nan 8.370 nan 0.000 0.456 181 L N -0.340 120.266 121.223 -1.029 0.000 1.989 181 L HA -0.201 4.140 4.340 0.001 0.000 0.211 181 L C 1.977 178.013 176.870 -1.389 0.000 1.071 181 L CA 1.333 55.151 54.840 -1.702 0.000 0.749 181 L CB -0.177 41.056 42.059 -1.377 0.000 0.890 181 L HN -0.040 nan 8.230 nan 0.000 0.431 182 F N -0.673 119.002 119.950 -0.459 0.000 2.780 182 F HA -0.059 4.468 4.527 0.001 0.000 0.299 182 F C 2.705 178.415 175.800 -0.149 0.000 1.146 182 F CA 0.756 58.620 58.000 -0.226 0.000 1.428 182 F CB -0.707 38.203 39.000 -0.150 0.000 1.115 182 F HN 0.197 nan 8.300 nan 0.000 0.583 183 S N -1.009 114.613 115.700 -0.131 0.000 2.474 183 S HA -0.176 4.295 4.470 0.001 0.000 0.235 183 S C 1.590 176.269 174.600 0.131 0.000 0.997 183 S CA 0.401 58.598 58.200 -0.005 0.000 0.949 183 S CB -0.684 62.502 63.200 -0.024 0.000 0.766 183 S HN 0.421 nan 8.310 nan 0.000 0.517 184 W N 1.584 122.889 121.300 0.008 0.000 2.721 184 W HA 0.292 4.952 4.660 0.000 0.000 0.245 184 W C 1.530 178.064 176.519 0.025 0.000 1.276 184 W CA -0.390 56.954 57.345 -0.001 0.000 1.342 184 W CB -0.983 28.455 29.460 -0.038 0.000 1.135 184 W HN 0.393 nan 8.180 nan 0.000 0.654 185 L N -0.722 120.642 121.223 0.235 0.000 2.446 185 L HA 0.054 4.394 4.340 0.001 0.000 0.219 185 L C 1.255 178.202 176.870 0.127 0.000 1.116 185 L CA 0.222 55.165 54.840 0.173 0.000 0.844 185 L CB -0.497 41.664 42.059 0.170 0.000 0.970 185 L HN -0.251 nan 8.230 nan 0.000 0.457 186 L N 0.000 121.297 121.223 0.123 0.000 2.949 186 L HA 0.000 4.340 4.340 0.001 0.000 0.249 186 L CA 0.000 54.894 54.840 0.090 0.000 0.813 186 L CB 0.000 42.107 42.059 0.080 0.000 0.961 186 L HN 0.000 nan 8.230 nan 0.000 0.502