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 3i54_1_D DATA FIRST_RESID -4 DATA SEQUENCE YFQSHMDEIL ARAGIFQGVE PSAIAALTKQ LQPVDFPRGH TVFAEGEPGD DATA SEQUENCE RLYIIISGKV KIGRRAPDGR ENLLTIMGPS DMFGELSIFD PGPRTSSATT DATA SEQUENCE ITEVRAVSMD RDALRSWIAD RPEISEQLLR VLARRLRRTN NNLADLIFTD DATA SEQUENCE VPGRVAKQLL QLAQRFGTQE GGALRVTHDL TQEEIAQLVG ASRETVNKAL DATA SEQUENCE ADFAHRGWIR LEGKSVLISD SERLARRA 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 -4 Y HA 0.000 nan 4.550 nan 0.000 0.201 -4 Y C 0.000 175.595 175.900 -0.509 0.000 1.272 -4 Y CA 0.000 57.913 58.100 -0.311 0.000 1.940 -4 Y CB 0.000 38.208 38.460 -0.420 0.000 1.050 -3 F N 1.448 121.410 119.950 0.020 0.000 2.497 -3 F HA 0.580 5.106 4.527 -0.001 0.000 0.331 -3 F C 1.354 177.162 175.800 0.014 0.000 1.060 -3 F CA -0.549 57.459 58.000 0.012 0.000 0.989 -3 F CB 1.713 40.728 39.000 0.024 0.000 1.245 -3 F HN 0.147 nan 8.300 nan 0.000 0.486 -2 Q N 0.078 120.007 119.800 0.214 0.000 2.398 -2 Q HA 0.108 4.447 4.340 -0.001 0.000 0.204 -2 Q C -0.198 175.871 176.000 0.116 0.000 0.932 -2 Q CA 0.557 56.428 55.803 0.115 0.000 0.916 -2 Q CB 0.422 29.201 28.738 0.069 0.000 1.024 -2 Q HN 0.674 nan 8.270 nan 0.000 0.504 -1 S N -2.412 113.378 115.700 0.149 0.000 2.565 -1 S HA 0.164 4.633 4.470 -0.001 0.000 0.269 -1 S C -0.059 174.623 174.600 0.137 0.000 1.153 -1 S CA -0.776 57.499 58.200 0.125 0.000 0.835 -1 S CB 1.178 64.427 63.200 0.081 0.000 1.122 -1 S HN 0.189 nan 8.310 nan 0.000 0.462 0 H N 1.595 120.688 119.070 0.038 0.000 2.387 0 H HA -0.040 4.515 4.556 -0.001 0.000 0.299 0 H C 1.919 177.237 175.328 -0.016 0.000 1.099 0 H CA 2.580 58.634 56.048 0.010 0.000 1.315 0 H CB -0.108 29.666 29.762 0.021 0.000 1.380 0 H HN 0.674 nan 8.280 nan 0.000 0.513 1 M N 0.040 119.636 119.600 -0.006 0.000 2.073 1 M HA -0.225 4.255 4.480 -0.001 0.000 0.258 1 M C 1.322 177.578 176.300 -0.073 0.000 1.070 1 M CA 2.492 57.763 55.300 -0.048 0.000 1.103 1 M CB -0.088 32.521 32.600 0.015 0.000 1.321 1 M HN 0.243 nan 8.290 nan 0.000 0.405 2 D N 0.145 120.515 120.400 -0.050 0.000 2.149 2 D HA -0.208 4.431 4.640 -0.001 0.000 0.198 2 D C 1.823 177.879 176.300 -0.407 0.000 0.990 2 D CA 1.605 55.555 54.000 -0.083 0.000 0.839 2 D CB -0.446 40.351 40.800 -0.005 0.000 0.948 2 D HN 0.622 nan 8.370 nan 0.000 0.460 3 E N 0.145 119.976 120.200 -0.614 0.000 2.051 3 E HA -0.151 4.199 4.350 -0.001 0.000 0.192 3 E C 1.939 178.196 176.600 -0.571 0.000 0.991 3 E CA 0.715 56.472 56.400 -1.072 0.000 0.799 3 E CB 0.098 29.468 29.700 -0.550 0.000 0.748 3 E HN 0.094 nan 8.360 nan 0.000 0.449 4 I N 0.857 121.195 120.570 -0.387 0.000 2.439 4 I HA -0.186 3.984 4.170 -0.001 0.000 0.251 4 I C 2.211 178.268 176.117 -0.100 0.000 1.139 4 I CA 0.651 61.806 61.300 -0.243 0.000 1.438 4 I CB -0.776 37.047 38.000 -0.295 0.000 1.085 4 I HN 0.225 nan 8.210 nan 0.000 0.427 5 L N 1.045 122.250 121.223 -0.030 0.000 2.056 5 L HA -0.040 4.300 4.340 -0.001 0.000 0.207 5 L C 2.793 179.726 176.870 0.105 0.000 1.078 5 L CA 1.773 56.670 54.840 0.096 0.000 0.749 5 L CB -1.526 40.733 42.059 0.333 0.000 0.901 5 L HN 0.147 nan 8.230 nan 0.000 0.433 6 A N -0.139 122.775 122.820 0.157 0.000 1.917 6 A HA -0.282 4.038 4.320 -0.001 0.000 0.219 6 A C 2.557 180.176 177.584 0.058 0.000 1.182 6 A CA 2.109 54.252 52.037 0.178 0.000 0.633 6 A CB -0.624 18.386 19.000 0.015 0.000 0.819 6 A HN 0.414 nan 8.150 nan 0.000 0.448 7 R N -0.358 120.127 120.500 -0.025 0.000 2.092 7 R HA -0.039 4.300 4.340 -0.001 0.000 0.231 7 R C 2.230 178.533 176.300 0.004 0.000 1.119 7 R CA 1.422 57.519 56.100 -0.005 0.000 0.970 7 R CB -0.499 29.782 30.300 -0.032 0.000 0.864 7 R HN 0.391 nan 8.270 nan 0.000 0.440 8 A N -0.022 122.796 122.820 -0.004 0.000 1.997 8 A HA -0.069 4.250 4.320 -0.001 0.000 0.221 8 A C 1.737 179.306 177.584 -0.026 0.000 1.172 8 A CA 1.850 53.884 52.037 -0.005 0.000 0.645 8 A CB -0.790 nan 19.000 nan 0.000 0.813 8 A HN 0.726 nan 8.150 nan 0.000 0.454 9 G N -1.337 107.442 108.800 -0.036 0.000 2.163 9 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.213 9 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.213 9 G C 0.710 175.541 174.900 -0.115 0.000 0.991 9 G CA 0.465 45.541 45.100 -0.039 0.000 0.653 9 G HN 1.361 nan 8.290 nan 0.000 0.518 10 I N -3.121 117.293 120.570 -0.259 0.000 3.684 10 I HA 0.539 4.708 4.170 -0.001 0.000 0.304 10 I C 0.748 176.511 176.117 -0.590 0.000 1.278 10 I CA 0.102 61.108 61.300 -0.491 0.000 1.272 10 I CB -0.080 37.481 38.000 -0.732 0.000 1.029 10 I HN -0.018 nan 8.210 nan 0.000 0.458 11 F N 1.419 121.343 119.950 -0.043 0.000 2.818 11 F HA 0.436 4.962 4.527 -0.001 0.000 0.369 11 F C 0.390 176.192 175.800 0.004 0.000 1.327 11 F CA -0.722 57.267 58.000 -0.020 0.000 1.211 11 F CB 0.096 39.117 39.000 0.034 0.000 1.036 11 F HN 0.075 nan 8.300 nan 0.000 0.510 12 Q N 0.367 120.230 119.800 0.105 0.000 2.390 12 Q HA 0.552 4.891 4.340 -0.001 0.000 0.249 12 Q C 0.843 176.873 176.000 0.051 0.000 0.996 12 Q CA 0.640 56.486 55.803 0.072 0.000 0.899 12 Q CB 0.767 29.520 28.738 0.025 0.000 1.216 12 Q HN 0.620 nan 8.270 nan 0.000 0.465 13 G N 1.649 110.484 108.800 0.060 0.000 3.426 13 G HA2 0.043 4.003 3.960 -0.001 0.000 0.196 13 G HA3 0.043 4.003 3.960 -0.001 0.000 0.196 13 G C 0.470 175.403 174.900 0.054 0.000 1.763 13 G CA -0.126 44.999 45.100 0.042 0.000 1.210 13 G HN 1.613 nan 8.290 nan 0.000 0.472 14 V N -2.270 117.695 119.914 0.085 0.000 0.680 14 V HA 0.668 4.787 4.120 -0.001 0.000 0.092 14 V C 0.509 176.639 176.094 0.060 0.000 0.950 14 V CA 2.411 64.774 62.300 0.104 0.000 3.133 14 V CB -1.404 30.464 31.823 0.075 0.000 0.287 14 V HN 2.845 nan 8.190 nan 0.000 0.246 15 E N -1.453 118.761 120.200 0.024 0.000 2.337 15 E HA 0.677 5.026 4.350 -0.001 0.000 0.271 15 E C -1.416 175.171 176.600 -0.021 0.000 1.276 15 E CA 0.729 57.123 56.400 -0.011 0.000 0.937 15 E CB -0.763 28.916 29.700 -0.034 0.000 1.396 15 E HN 2.756 nan 8.360 nan 0.000 0.394 16 P HA -0.128 nan 4.420 nan 0.000 0.299 16 P C 0.921 178.192 177.300 -0.049 0.000 1.970 16 P CA 3.755 66.826 63.100 -0.048 0.000 1.766 16 P CB -1.136 30.542 31.700 -0.037 0.000 0.236 17 S N -4.123 111.554 115.700 -0.038 0.000 1.860 17 S HA -0.275 4.194 4.470 -0.001 0.000 0.241 17 S C 1.302 175.882 174.600 -0.034 0.000 1.007 17 S CA 1.702 59.883 58.200 -0.032 0.000 1.412 17 S CB -2.129 61.054 63.200 -0.029 0.000 1.757 17 S HN 1.243 nan 8.310 nan 0.000 0.547 18 A N 1.209 124.003 122.820 -0.043 0.000 2.067 18 A HA 0.377 4.697 4.320 -0.001 0.000 0.217 18 A C 1.955 179.478 177.584 -0.101 0.000 1.156 18 A CA 1.056 53.067 52.037 -0.044 0.000 0.683 18 A CB -0.557 nan 19.000 nan 0.000 0.808 18 A HN 0.739 nan 8.150 nan 0.000 0.455 19 I N -0.176 120.285 120.570 -0.182 0.000 2.133 19 I HA -0.258 3.911 4.170 -0.001 0.000 0.238 19 I C 3.017 178.979 176.117 -0.259 0.000 1.074 19 I CA 1.099 62.138 61.300 -0.435 0.000 1.342 19 I CB -0.572 37.141 38.000 -0.478 0.000 1.053 19 I HN 0.339 nan 8.210 nan 0.000 0.404 20 A N 1.057 123.810 122.820 -0.111 0.000 1.927 20 A HA -0.287 4.033 4.320 -0.001 0.000 0.220 20 A C 2.524 180.101 177.584 -0.012 0.000 1.185 20 A CA 2.313 54.327 52.037 -0.037 0.000 0.639 20 A CB -0.936 18.060 19.000 -0.007 0.000 0.820 20 A HN 0.498 nan 8.150 nan 0.000 0.451 21 A N 0.052 122.864 122.820 -0.012 0.000 1.933 21 A HA -0.015 4.304 4.320 -0.001 0.000 0.218 21 A C 1.895 179.520 177.584 0.068 0.000 1.175 21 A CA 1.485 53.535 52.037 0.021 0.000 0.628 21 A CB -0.636 18.374 19.000 0.017 0.000 0.814 21 A HN 0.885 nan 8.150 nan 0.000 0.444 22 L N -1.955 119.327 121.223 0.099 0.000 2.653 22 L HA 0.212 4.552 4.340 -0.001 0.000 0.231 22 L C 1.345 178.450 176.870 0.391 0.000 1.153 22 L CA 0.935 55.943 54.840 0.280 0.000 0.933 22 L CB -0.816 41.485 42.059 0.403 0.000 1.175 22 L HN 0.369 nan 8.230 nan 0.000 0.473 23 T N -5.748 108.922 114.554 0.194 0.000 3.003 23 T HA 0.191 4.540 4.350 -0.001 0.000 0.261 23 T C 1.955 176.672 174.700 0.027 0.000 1.003 23 T CA 0.550 62.737 62.100 0.146 0.000 0.917 23 T CB 0.430 69.395 68.868 0.162 0.000 1.084 23 T HN 0.255 nan 8.240 nan 0.000 0.522 24 K N 1.030 121.446 120.400 0.027 0.000 2.211 24 K HA 0.021 4.340 4.320 -0.001 0.000 0.204 24 K C 2.420 179.005 176.600 -0.026 0.000 1.047 24 K CA 1.950 58.237 56.287 0.001 0.000 0.935 24 K CB -1.813 30.694 32.500 0.010 0.000 0.728 24 K HN 0.795 nan 8.250 nan 0.000 0.452 25 Q N 0.063 119.839 119.800 -0.041 0.000 2.451 25 Q HA 0.417 4.756 4.340 -0.001 0.000 0.206 25 Q C 1.105 177.014 176.000 -0.151 0.000 0.947 25 Q CA 0.480 56.235 55.803 -0.081 0.000 0.937 25 Q CB -0.446 28.249 28.738 -0.072 0.000 1.025 25 Q HN 0.704 nan 8.270 nan 0.000 0.511 26 L N 1.335 122.452 121.223 -0.176 0.000 2.397 26 L HA 0.496 4.835 4.340 -0.001 0.000 0.271 26 L C 0.746 177.526 176.870 -0.150 0.000 1.148 26 L CA -0.321 54.380 54.840 -0.233 0.000 0.825 26 L CB 1.260 43.165 42.059 -0.257 0.000 1.117 26 L HN 0.497 nan 8.230 nan 0.000 0.456 27 Q N 4.450 124.155 119.800 -0.158 0.000 2.400 27 Q HA 0.491 4.830 4.340 -0.001 0.000 0.255 27 Q C -2.619 173.321 176.000 -0.100 0.000 1.008 27 Q CA -1.887 53.849 55.803 -0.113 0.000 0.841 27 Q CB 0.428 29.099 28.738 -0.110 0.000 1.220 27 Q HN 0.356 nan 8.270 nan 0.000 0.474 28 P HA 0.567 nan 4.420 nan 0.000 0.274 28 P C -0.665 176.577 177.300 -0.097 0.000 1.246 28 P CA -0.522 62.536 63.100 -0.071 0.000 0.795 28 P CB 1.555 33.223 31.700 -0.053 0.000 1.006 29 V N 0.704 120.538 119.914 -0.133 0.000 2.891 29 V HA 0.383 4.503 4.120 -0.001 0.000 0.304 29 V C -1.832 174.005 176.094 -0.428 0.000 1.171 29 V CA -0.633 61.499 62.300 -0.280 0.000 0.943 29 V CB 2.257 33.923 31.823 -0.262 0.000 1.037 29 V HN 0.376 nan 8.190 nan 0.000 0.427 30 D N 4.925 125.025 120.400 -0.500 0.000 2.248 30 D HA 0.613 5.253 4.640 -0.001 0.000 0.246 30 D C -1.081 174.805 176.300 -0.689 0.000 1.027 30 D CA 0.321 54.061 54.000 -0.433 0.000 0.853 30 D CB 1.883 42.559 40.800 -0.206 0.000 1.243 30 D HN 0.409 nan 8.370 nan 0.000 0.462 31 F N 1.340 121.230 119.950 -0.100 0.000 2.576 31 F HA 0.383 4.909 4.527 -0.001 0.000 0.313 31 F C -1.899 173.833 175.800 -0.113 0.000 1.078 31 F CA -1.901 55.978 58.000 -0.201 0.000 0.921 31 F CB 2.411 41.269 39.000 -0.237 0.000 1.232 31 F HN 0.039 nan 8.300 nan 0.000 0.459 32 P HA 0.139 nan 4.420 nan 0.000 0.276 32 P C -0.701 176.654 177.300 0.091 0.000 1.261 32 P CA -0.636 62.508 63.100 0.073 0.000 0.800 32 P CB 0.889 32.625 31.700 0.060 0.000 1.066 33 R N -0.056 120.474 120.500 0.049 0.000 2.638 33 R HA 0.208 4.547 4.340 -0.001 0.000 0.268 33 R C 1.129 177.449 176.300 0.032 0.000 1.006 33 R CA 1.574 57.689 56.100 0.026 0.000 1.088 33 R CB -0.945 29.359 30.300 0.006 0.000 0.950 33 R HN 0.869 nan 8.270 nan 0.000 0.419 34 G N 2.099 110.899 108.800 0.000 0.000 2.136 34 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.242 34 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.242 34 G C -0.271 174.615 174.900 -0.024 0.000 0.989 34 G CA 0.325 45.411 45.100 -0.024 0.000 0.682 34 G HN 0.824 nan 8.290 nan 0.000 0.522 35 H N 0.960 119.957 119.070 -0.121 0.000 2.517 35 H HA 0.478 5.033 4.556 -0.001 0.000 0.317 35 H C -0.157 175.007 175.328 -0.274 0.000 1.080 35 H CA 0.333 56.285 56.048 -0.159 0.000 1.301 35 H CB 0.857 30.543 29.762 -0.128 0.000 1.425 35 H HN 0.048 nan 8.280 nan 0.000 0.471 36 T N 6.416 120.569 114.554 -0.668 0.000 2.775 36 T HA 0.037 4.387 4.350 -0.001 0.000 0.281 36 T C 1.824 176.096 174.700 -0.713 0.000 0.908 36 T CA -0.337 61.420 62.100 -0.571 0.000 1.123 36 T CB 0.332 68.971 68.868 -0.382 0.000 0.879 36 T HN 0.444 nan 8.240 nan 0.000 0.547 37 V N 3.591 123.135 119.914 -0.617 0.000 2.379 37 V HA 0.078 4.197 4.120 -0.001 0.000 0.245 37 V C 0.506 176.462 176.094 -0.230 0.000 1.044 37 V CA 1.381 63.347 62.300 -0.556 0.000 1.036 37 V CB -0.703 30.645 31.823 -0.791 0.000 0.664 37 V HN 0.915 nan 8.190 nan 0.000 0.453 38 F N -2.335 117.531 119.950 -0.140 0.000 2.773 38 F HA 0.848 5.374 4.527 -0.001 0.000 0.314 38 F C -0.730 175.027 175.800 -0.072 0.000 1.160 38 F CA -1.539 56.426 58.000 -0.058 0.000 0.920 38 F CB 0.904 39.925 39.000 0.035 0.000 1.323 38 F HN -0.141 nan 8.300 nan 0.000 0.457 39 A N 0.370 123.375 122.820 0.309 0.000 2.355 39 A HA 0.573 4.893 4.320 -0.001 0.000 0.324 39 A C -0.518 177.182 177.584 0.194 0.000 1.117 39 A CA -0.767 51.363 52.037 0.155 0.000 0.785 39 A CB 1.036 20.069 19.000 0.054 0.000 1.254 39 A HN 0.916 nan 8.150 nan 0.000 0.453 40 E N 0.322 120.599 120.200 0.129 0.000 2.568 40 E HA 0.229 4.579 4.350 -0.001 0.000 0.262 40 E C 1.385 178.017 176.600 0.053 0.000 0.961 40 E CA 1.658 58.111 56.400 0.089 0.000 0.945 40 E CB 0.129 29.859 29.700 0.051 0.000 0.924 40 E HN 1.526 nan 8.360 nan 0.000 0.467 41 G N 3.708 112.527 108.800 0.032 0.000 2.336 41 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.233 41 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.233 41 G C 0.234 175.135 174.900 0.002 0.000 1.053 41 G CA 0.326 45.434 45.100 0.012 0.000 0.625 41 G HN 0.627 nan 8.290 nan 0.000 0.511 42 E N 2.147 122.353 120.200 0.009 0.000 2.436 42 E HA 0.326 4.675 4.350 -0.001 0.000 0.262 42 E C -2.104 174.471 176.600 -0.042 0.000 1.063 42 E CA -1.061 55.336 56.400 -0.004 0.000 0.944 42 E CB 0.527 30.238 29.700 0.018 0.000 0.950 42 E HN 0.229 nan 8.360 nan 0.000 0.444 43 P HA 0.064 nan 4.420 nan 0.000 0.268 43 P C -0.712 176.527 177.300 -0.101 0.000 1.205 43 P CA -0.059 63.007 63.100 -0.057 0.000 0.771 43 P CB 0.747 32.427 31.700 -0.033 0.000 0.858 44 G N 1.054 109.775 108.800 -0.131 0.000 2.422 44 G HA2 0.413 4.372 3.960 -0.001 0.000 0.317 44 G HA3 0.413 4.372 3.960 -0.001 0.000 0.317 44 G C -0.616 174.199 174.900 -0.142 0.000 1.210 44 G CA -0.127 44.853 45.100 -0.200 0.000 0.930 44 G HN 0.394 nan 8.290 nan 0.000 0.468 45 D N 0.828 121.152 120.400 -0.126 0.000 2.712 45 D HA 0.123 4.762 4.640 -0.001 0.000 0.300 45 D C 0.259 176.488 176.300 -0.118 0.000 1.521 45 D CA -0.319 53.619 54.000 -0.102 0.000 0.790 45 D CB 0.177 40.940 40.800 -0.063 0.000 1.155 45 D HN 0.425 nan 8.370 nan 0.000 0.456 46 R N 0.676 121.084 120.500 -0.153 0.000 2.522 46 R HA 0.448 4.788 4.340 -0.001 0.000 0.283 46 R C -1.406 174.723 176.300 -0.285 0.000 1.074 46 R CA -0.764 55.201 56.100 -0.225 0.000 0.925 46 R CB 0.961 31.147 30.300 -0.190 0.000 1.205 46 R HN 0.074 nan 8.270 nan 0.000 0.436 47 L N 0.793 121.796 121.223 -0.365 0.000 2.352 47 L HA 0.712 5.051 4.340 -0.001 0.000 0.269 47 L C -1.392 175.116 176.870 -0.604 0.000 1.034 47 L CA -0.552 54.089 54.840 -0.332 0.000 0.806 47 L CB 0.894 42.815 42.059 -0.229 0.000 1.244 47 L HN 0.431 nan 8.230 nan 0.000 0.447 48 Y N 1.248 121.296 120.300 -0.420 0.000 2.462 48 Y HA 0.734 5.283 4.550 -0.001 0.000 0.346 48 Y C -0.396 175.305 175.900 -0.332 0.000 0.976 48 Y CA -0.652 57.163 58.100 -0.474 0.000 1.044 48 Y CB 2.041 39.885 38.460 -1.026 0.000 1.230 48 Y HN 0.476 nan 8.280 nan 0.000 0.455 49 I N 4.292 124.859 120.570 -0.005 0.000 2.406 49 I HA 0.383 4.553 4.170 -0.001 0.000 0.290 49 I C -0.657 175.543 176.117 0.139 0.000 0.999 49 I CA -0.705 60.638 61.300 0.072 0.000 1.124 49 I CB 1.561 39.600 38.000 0.066 0.000 1.289 49 I HN 0.442 nan 8.210 nan 0.000 0.441 50 I N 6.421 127.113 120.570 0.204 0.000 2.452 50 I HA 0.045 4.215 4.170 -0.001 0.000 0.287 50 I C 1.023 177.219 176.117 0.131 0.000 1.079 50 I CA -0.089 61.342 61.300 0.218 0.000 1.387 50 I CB 0.771 38.926 38.000 0.259 0.000 1.404 50 I HN 0.555 nan 8.210 nan 0.000 0.522 51 I N 3.737 124.373 120.570 0.109 0.000 2.296 51 I HA -0.016 4.154 4.170 -0.001 0.000 0.242 51 I C 1.101 177.284 176.117 0.110 0.000 1.087 51 I CA 1.119 62.455 61.300 0.060 0.000 1.393 51 I CB -1.000 37.033 38.000 0.055 0.000 1.093 51 I HN 0.652 nan 8.210 nan 0.000 0.421 52 S N -0.789 114.994 115.700 0.139 0.000 2.588 52 S HA 0.772 5.242 4.470 -0.001 0.000 0.275 52 S C -0.115 174.550 174.600 0.109 0.000 1.130 52 S CA -0.092 58.193 58.200 0.141 0.000 0.855 52 S CB 2.418 65.706 63.200 0.147 0.000 1.116 52 S HN 0.804 nan 8.310 nan 0.000 0.472 53 G N 1.083 109.928 108.800 0.076 0.000 2.685 53 G HA2 0.089 4.048 3.960 -0.001 0.000 0.387 53 G HA3 0.089 4.048 3.960 -0.001 0.000 0.387 53 G C -1.571 173.339 174.900 0.017 0.000 1.324 53 G CA -0.773 44.346 45.100 0.033 0.000 0.878 53 G HN 0.859 nan 8.290 nan 0.000 0.527 54 K N -1.087 119.289 120.400 -0.040 0.000 2.426 54 K HA 0.705 5.024 4.320 -0.001 0.000 0.251 54 K C -1.049 175.486 176.600 -0.108 0.000 0.941 54 K CA -0.914 55.323 56.287 -0.083 0.000 0.808 54 K CB 3.049 35.426 32.500 -0.205 0.000 1.265 54 K HN 0.537 nan 8.250 nan 0.000 0.432 55 V N 2.698 122.523 119.914 -0.148 0.000 2.638 55 V HA 0.285 4.404 4.120 -0.001 0.000 0.306 55 V C -0.764 175.176 176.094 -0.257 0.000 1.052 55 V CA -0.991 61.130 62.300 -0.298 0.000 0.885 55 V CB 1.839 33.300 31.823 -0.603 0.000 0.999 55 V HN 0.739 nan 8.190 nan 0.000 0.424 56 K N 4.104 124.355 120.400 -0.247 0.000 2.156 56 K HA 0.759 5.078 4.320 -0.001 0.000 0.271 56 K C -1.264 175.198 176.600 -0.231 0.000 0.995 56 K CA -0.594 55.584 56.287 -0.181 0.000 0.890 56 K CB 1.732 34.155 32.500 -0.127 0.000 1.073 56 K HN 0.384 nan 8.250 nan 0.000 0.454 57 I N 2.158 122.632 120.570 -0.161 0.000 2.321 57 I HA 0.340 4.509 4.170 -0.001 0.000 0.291 57 I C 0.223 176.296 176.117 -0.073 0.000 0.998 57 I CA 0.069 61.290 61.300 -0.132 0.000 1.227 57 I CB 1.743 39.705 38.000 -0.064 0.000 1.368 57 I HN 0.870 nan 8.210 nan 0.000 0.466 58 G N 5.297 114.055 108.800 -0.070 0.000 2.524 58 G HA2 0.794 4.754 3.960 -0.001 0.000 0.310 58 G HA3 0.794 4.754 3.960 -0.001 0.000 0.310 58 G C -1.017 173.871 174.900 -0.019 0.000 1.279 58 G CA -0.743 44.329 45.100 -0.047 0.000 0.974 58 G HN 0.436 nan 8.290 nan 0.000 0.484 59 R N -0.381 120.112 120.500 -0.012 0.000 2.621 59 R HA 0.670 5.010 4.340 -0.001 0.000 0.292 59 R C 0.379 176.675 176.300 -0.007 0.000 0.969 59 R CA -0.791 55.308 56.100 -0.001 0.000 0.887 59 R CB 1.493 31.797 30.300 0.007 0.000 1.180 59 R HN 0.706 nan 8.270 nan 0.000 0.450 60 R N 1.687 122.184 120.500 -0.005 0.000 2.484 60 R HA 0.444 4.783 4.340 -0.001 0.000 0.293 60 R C -0.096 176.200 176.300 -0.007 0.000 1.023 60 R CA 0.570 56.665 56.100 -0.008 0.000 1.037 60 R CB -0.097 30.200 30.300 -0.006 0.000 0.951 60 R HN 0.709 nan 8.270 nan 0.000 0.418 61 A N 4.264 127.078 122.820 -0.010 0.000 2.293 61 A HA 0.678 4.997 4.320 -0.001 0.000 0.302 61 A C -1.501 176.078 177.584 -0.009 0.000 1.119 61 A CA -1.636 50.395 52.037 -0.009 0.000 0.823 61 A CB 1.091 20.084 19.000 -0.011 0.000 1.097 61 A HN 0.599 nan 8.150 nan 0.000 0.491 62 P HA -0.128 nan 4.420 nan 0.000 0.220 62 P C 0.456 177.751 177.300 -0.009 0.000 1.148 62 P CA 1.400 64.495 63.100 -0.008 0.000 0.803 62 P CB 0.027 31.723 31.700 -0.007 0.000 0.782 63 D N -1.149 119.245 120.400 -0.010 0.000 2.218 63 D HA -0.100 4.539 4.640 -0.001 0.000 0.204 63 D C 1.719 178.012 176.300 -0.011 0.000 0.976 63 D CA 1.653 55.647 54.000 -0.011 0.000 0.853 63 D CB -0.995 39.798 40.800 -0.012 0.000 0.939 63 D HN 0.310 nan 8.370 nan 0.000 0.481 64 G N -0.531 108.262 108.800 -0.012 0.000 2.278 64 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.210 64 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.210 64 G C 0.798 175.688 174.900 -0.016 0.000 1.000 64 G CA 0.475 45.567 45.100 -0.013 0.000 0.635 64 G HN 0.775 nan 8.290 nan 0.000 0.495 65 R N 0.863 121.354 120.500 -0.016 0.000 2.774 65 R HA 0.740 5.080 4.340 -0.001 0.000 0.269 65 R C 0.288 176.577 176.300 -0.019 0.000 1.068 65 R CA 1.036 57.125 56.100 -0.018 0.000 1.180 65 R CB 0.061 30.350 30.300 -0.017 0.000 1.077 65 R HN 0.787 nan 8.270 nan 0.000 0.513 66 E N 0.051 120.238 120.200 -0.022 0.000 2.212 66 E HA 0.300 4.650 4.350 -0.001 0.000 0.268 66 E C -0.935 175.652 176.600 -0.021 0.000 0.902 66 E CA -0.580 55.806 56.400 -0.023 0.000 0.779 66 E CB 1.317 30.998 29.700 -0.031 0.000 1.172 66 E HN 0.757 nan 8.360 nan 0.000 0.409 67 N N 4.540 123.229 118.700 -0.018 0.000 2.399 67 N HA 0.382 5.121 4.740 -0.001 0.000 0.295 67 N C -0.861 174.639 175.510 -0.018 0.000 1.048 67 N CA -0.649 52.392 53.050 -0.015 0.000 0.886 67 N CB 0.971 39.452 38.487 -0.010 0.000 1.185 67 N HN 0.416 nan 8.380 nan 0.000 0.487 68 L N 2.488 123.700 121.223 -0.018 0.000 2.275 68 L HA 0.416 4.756 4.340 -0.001 0.000 0.288 68 L C 1.431 178.297 176.870 -0.007 0.000 1.046 68 L CA -0.674 54.154 54.840 -0.020 0.000 0.805 68 L CB 1.154 43.198 42.059 -0.024 0.000 1.193 68 L HN 0.604 nan 8.230 nan 0.000 0.426 69 L N 1.355 122.576 121.223 -0.004 0.000 2.209 69 L HA 0.141 4.480 4.340 -0.001 0.000 0.207 69 L C 0.904 177.785 176.870 0.018 0.000 1.094 69 L CA 0.788 55.634 54.840 0.010 0.000 0.790 69 L CB 0.039 42.110 42.059 0.019 0.000 0.932 69 L HN 0.714 nan 8.230 nan 0.000 0.447 70 T N -1.185 113.377 114.554 0.013 0.000 2.722 70 T HA 0.398 4.748 4.350 -0.001 0.000 0.314 70 T C -1.883 172.834 174.700 0.028 0.000 1.675 70 T CA -0.579 61.539 62.100 0.031 0.000 1.003 70 T CB 1.294 70.187 68.868 0.042 0.000 1.602 70 T HN -0.227 nan 8.240 nan 0.000 0.496 71 I N 3.397 124.015 120.570 0.080 0.000 2.378 71 I HA 0.463 4.632 4.170 -0.001 0.000 0.291 71 I C 0.191 176.415 176.117 0.178 0.000 0.992 71 I CA -0.857 60.509 61.300 0.111 0.000 1.154 71 I CB 1.415 39.528 38.000 0.188 0.000 1.315 71 I HN 0.633 nan 8.210 nan 0.000 0.448 72 M N 4.588 124.248 119.600 0.100 0.000 2.314 72 M HA 0.591 5.070 4.480 -0.001 0.000 0.342 72 M C 0.548 176.987 176.300 0.232 0.000 1.171 72 M CA -0.215 55.178 55.300 0.155 0.000 1.098 72 M CB 1.583 34.229 32.600 0.076 0.000 1.559 72 M HN 0.735 nan 8.290 nan 0.000 0.459 73 G N 1.959 110.951 108.800 0.320 0.000 3.086 73 G HA2 0.742 4.701 3.960 -0.001 0.000 0.282 73 G HA3 0.742 4.701 3.960 -0.001 0.000 0.282 73 G C -3.100 171.949 174.900 0.248 0.000 1.343 73 G CA -1.214 44.094 45.100 0.346 0.000 0.895 73 G HN 0.335 nan 8.290 nan 0.000 0.557 74 P HA 0.108 nan 4.420 nan 0.000 0.265 74 P C 0.585 177.958 177.300 0.121 0.000 1.193 74 P CA 1.605 64.796 63.100 0.153 0.000 0.765 74 P CB 1.279 33.064 31.700 0.141 0.000 0.823 75 S N 0.260 116.015 115.700 0.092 0.000 2.596 75 S HA -0.168 4.301 4.470 -0.001 0.000 0.260 75 S C 0.131 174.789 174.600 0.098 0.000 1.282 75 S CA 0.689 58.930 58.200 0.069 0.000 1.357 75 S CB -2.482 60.739 63.200 0.036 0.000 1.674 75 S HN 0.438 nan 8.310 nan 0.000 0.641 76 D N 1.841 122.327 120.400 0.143 0.000 2.304 76 D HA 0.543 5.183 4.640 -0.001 0.000 0.247 76 D C 0.191 176.619 176.300 0.213 0.000 1.089 76 D CA 0.038 54.140 54.000 0.171 0.000 0.910 76 D CB 1.216 42.137 40.800 0.201 0.000 1.199 76 D HN 0.640 nan 8.370 nan 0.000 0.426 77 M N 2.955 122.673 119.600 0.198 0.000 2.336 77 M HA 0.503 4.983 4.480 -0.001 0.000 0.342 77 M C -1.566 174.898 176.300 0.274 0.000 1.128 77 M CA -0.644 54.760 55.300 0.174 0.000 1.016 77 M CB 0.850 33.526 32.600 0.127 0.000 1.665 77 M HN 0.365 nan 8.290 nan 0.000 0.445 78 F N 1.683 121.746 119.950 0.188 0.000 2.626 78 F HA 0.853 5.380 4.527 -0.001 0.000 0.311 78 F C 0.233 176.219 175.800 0.311 0.000 1.088 78 F CA -0.297 57.826 58.000 0.205 0.000 0.949 78 F CB 1.266 40.363 39.000 0.161 0.000 1.322 78 F HN 0.794 nan 8.300 nan 0.000 0.461 79 G N 1.202 110.256 108.800 0.422 0.000 2.132 79 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.234 79 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.234 79 G C 0.693 175.539 174.900 -0.089 0.000 0.989 79 G CA 0.365 45.617 45.100 0.253 0.000 0.676 79 G HN 1.093 nan 8.290 nan 0.000 0.522 80 E N 0.599 120.708 120.200 -0.152 0.000 2.170 80 E HA 0.062 4.412 4.350 -0.001 0.000 0.191 80 E C 2.494 178.696 176.600 -0.662 0.000 0.981 80 E CA 0.829 56.908 56.400 -0.536 0.000 0.830 80 E CB -0.538 28.841 29.700 -0.536 0.000 0.775 80 E HN 0.555 nan 8.360 nan 0.000 0.470 81 L N 2.092 123.159 121.223 -0.260 0.000 2.046 81 L HA -0.124 4.216 4.340 -0.001 0.000 0.208 81 L C 2.808 179.604 176.870 -0.123 0.000 1.077 81 L CA 1.721 56.493 54.840 -0.114 0.000 0.747 81 L CB -0.731 41.331 42.059 0.004 0.000 0.896 81 L HN 0.184 nan 8.230 nan 0.000 0.432 82 S N -0.614 114.993 115.700 -0.156 0.000 2.515 82 S HA -0.017 4.452 4.470 -0.001 0.000 0.231 82 S C 1.801 176.315 174.600 -0.143 0.000 0.987 82 S CA 0.497 58.618 58.200 -0.132 0.000 0.936 82 S CB -0.379 62.722 63.200 -0.165 0.000 0.766 82 S HN 0.367 nan 8.310 nan 0.000 0.528 83 I N -0.182 120.245 120.570 -0.238 0.000 2.339 83 I HA 0.025 4.194 4.170 -0.001 0.000 0.245 83 I C 1.680 177.777 176.117 -0.033 0.000 1.096 83 I CA 0.895 62.075 61.300 -0.200 0.000 1.408 83 I CB -0.231 37.574 38.000 -0.325 0.000 1.092 83 I HN 0.225 nan 8.210 nan 0.000 0.423 84 F N 0.504 120.451 119.950 -0.005 0.000 2.325 84 F HA -0.060 4.466 4.527 -0.001 0.000 0.299 84 F C 0.984 176.783 175.800 -0.003 0.000 1.090 84 F CA 0.532 58.532 58.000 -0.001 0.000 1.392 84 F CB -0.601 38.402 39.000 0.005 0.000 1.053 84 F HN 0.036 nan 8.300 nan 0.000 0.521 85 D N 0.035 120.523 120.400 0.146 0.000 2.443 85 D HA 0.264 4.903 4.640 -0.001 0.000 0.281 85 D C -2.834 173.484 176.300 0.030 0.000 1.210 85 D CA -2.459 51.591 54.000 0.083 0.000 0.875 85 D CB 0.605 41.455 40.800 0.083 0.000 1.125 85 D HN -0.164 nan 8.370 nan 0.000 0.503 86 P HA 0.345 nan 4.420 nan 0.000 0.261 86 P C 0.222 177.516 177.300 -0.009 0.000 1.165 86 P CA 0.559 63.656 63.100 -0.005 0.000 0.759 86 P CB 0.838 32.540 31.700 0.003 0.000 0.772 87 G N 2.811 111.596 108.800 -0.025 0.000 2.341 87 G HA2 0.317 4.276 3.960 -0.001 0.000 0.293 87 G HA3 0.317 4.276 3.960 -0.001 0.000 0.293 87 G C -3.432 171.444 174.900 -0.041 0.000 1.298 87 G CA -0.890 44.196 45.100 -0.023 0.000 0.868 87 G HN 0.284 nan 8.290 nan 0.000 0.540 88 P HA 0.469 nan 4.420 nan 0.000 0.279 88 P C -0.372 176.893 177.300 -0.059 0.000 1.252 88 P CA -0.724 62.349 63.100 -0.045 0.000 0.811 88 P CB 0.496 32.182 31.700 -0.022 0.000 1.035 89 R N 0.873 121.317 120.500 -0.093 0.000 2.523 89 R HA 0.004 4.344 4.340 -0.001 0.000 0.281 89 R C 1.348 177.651 176.300 0.006 0.000 0.969 89 R CA 0.675 56.723 56.100 -0.086 0.000 1.093 89 R CB -1.083 29.166 30.300 -0.085 0.000 0.917 89 R HN 0.615 nan 8.270 nan 0.000 0.408 90 T N -1.974 112.599 114.554 0.030 0.000 3.067 90 T HA 0.062 4.411 4.350 -0.001 0.000 0.261 90 T C 0.423 175.165 174.700 0.070 0.000 1.110 90 T CA 0.308 62.435 62.100 0.045 0.000 1.113 90 T CB 0.284 69.180 68.868 0.047 0.000 0.917 90 T HN 0.436 nan 8.240 nan 0.000 0.499 91 S N 0.348 116.122 115.700 0.123 0.000 2.643 91 S HA 0.613 5.083 4.470 -0.001 0.000 0.270 91 S C -0.818 173.901 174.600 0.199 0.000 1.166 91 S CA -0.899 57.374 58.200 0.120 0.000 0.815 91 S CB 1.752 65.008 63.200 0.094 0.000 1.139 91 S HN 0.601 nan 8.310 nan 0.000 0.472 92 S N 0.098 115.843 115.700 0.076 0.000 2.646 92 S HA 0.860 5.329 4.470 -0.001 0.000 0.276 92 S C -0.418 174.040 174.600 -0.236 0.000 1.222 92 S CA -0.680 57.508 58.200 -0.021 0.000 1.014 92 S CB 1.279 64.435 63.200 -0.073 0.000 0.991 92 S HN 1.292 nan 8.310 nan 0.000 0.533 93 A N 1.550 124.021 122.820 -0.582 0.000 2.353 93 A HA 0.706 5.025 4.320 -0.001 0.000 0.299 93 A C -0.402 176.783 177.584 -0.665 0.000 1.089 93 A CA -0.702 50.870 52.037 -0.776 0.000 0.736 93 A CB 1.170 19.390 19.000 -1.299 0.000 1.195 93 A HN 0.787 nan 8.150 nan 0.000 0.447 94 T N 1.966 116.226 114.554 -0.491 0.000 2.848 94 T HA 0.576 4.925 4.350 -0.001 0.000 0.285 94 T C 0.271 174.780 174.700 -0.319 0.000 0.995 94 T CA -0.182 61.692 62.100 -0.375 0.000 0.970 94 T CB 1.428 70.139 68.868 -0.262 0.000 0.976 94 T HN 0.956 nan 8.240 nan 0.000 0.441 95 T N 0.526 114.926 114.554 -0.256 0.000 2.919 95 T HA 0.349 4.698 4.350 -0.001 0.000 0.302 95 T C 1.329 175.962 174.700 -0.112 0.000 1.031 95 T CA -0.658 61.344 62.100 -0.163 0.000 1.127 95 T CB 0.050 68.877 68.868 -0.067 0.000 0.952 95 T HN 0.690 nan 8.240 nan 0.000 0.540 96 I N -0.280 120.230 120.570 -0.101 0.000 4.057 96 I HA 0.284 4.453 4.170 -0.001 0.000 0.334 96 I C 0.509 176.589 176.117 -0.061 0.000 1.308 96 I CA -0.510 60.742 61.300 -0.079 0.000 1.125 96 I CB 0.050 37.999 38.000 -0.085 0.000 1.034 96 I HN 0.798 nan 8.210 nan 0.000 0.401 97 T N -1.956 112.567 114.554 -0.051 0.000 2.804 97 T HA 0.448 4.797 4.350 -0.001 0.000 0.290 97 T C -0.493 174.207 174.700 0.001 0.000 1.099 97 T CA -0.634 61.446 62.100 -0.034 0.000 1.011 97 T CB 1.843 70.682 68.868 -0.049 0.000 1.291 97 T HN 0.148 nan 8.240 nan 0.000 0.523 98 E N -0.064 120.142 120.200 0.011 0.000 2.414 98 E HA 0.477 4.827 4.350 -0.001 0.000 0.263 98 E C -0.957 175.676 176.600 0.055 0.000 1.000 98 E CA -0.071 56.351 56.400 0.036 0.000 0.914 98 E CB 0.781 30.493 29.700 0.020 0.000 0.948 98 E HN 0.448 nan 8.360 nan 0.000 0.444 99 V N 3.829 123.805 119.914 0.104 0.000 2.638 99 V HA 0.371 4.491 4.120 -0.001 0.000 0.306 99 V C -0.390 175.772 176.094 0.112 0.000 1.052 99 V CA -0.749 61.636 62.300 0.142 0.000 0.885 99 V CB 1.894 33.862 31.823 0.241 0.000 0.999 99 V HN 0.568 nan 8.190 nan 0.000 0.424 100 R N 3.049 123.604 120.500 0.091 0.000 2.393 100 R HA 0.850 5.189 4.340 -0.001 0.000 0.310 100 R C -0.654 175.707 176.300 0.102 0.000 0.968 100 R CA -0.138 55.991 56.100 0.048 0.000 0.867 100 R CB 1.656 31.982 30.300 0.043 0.000 1.124 100 R HN 0.888 nan 8.270 nan 0.000 0.450 101 A N 3.291 126.160 122.820 0.083 0.000 2.566 101 A HA 0.601 4.921 4.320 -0.001 0.000 0.292 101 A C -1.385 176.239 177.584 0.067 0.000 1.112 101 A CA -0.665 51.461 52.037 0.148 0.000 0.707 101 A CB 1.985 21.186 19.000 0.336 0.000 1.302 101 A HN 0.467 nan 8.150 nan 0.000 0.409 102 V N 1.380 121.321 119.914 0.045 0.000 2.612 102 V HA 0.745 4.865 4.120 -0.001 0.000 0.301 102 V C 0.368 176.409 176.094 -0.088 0.000 1.046 102 V CA 0.271 62.546 62.300 -0.042 0.000 0.946 102 V CB 1.693 33.465 31.823 -0.084 0.000 1.003 102 V HN 1.299 nan 8.190 nan 0.000 0.459 103 S N 5.038 120.630 115.700 -0.181 0.000 2.569 103 S HA 0.924 5.393 4.470 -0.001 0.000 0.280 103 S C -0.926 173.481 174.600 -0.321 0.000 1.111 103 S CA -0.823 57.157 58.200 -0.366 0.000 0.887 103 S CB 2.151 65.034 63.200 -0.528 0.000 1.095 103 S HN 1.000 nan 8.310 nan 0.000 0.476 104 M N 0.712 120.099 119.600 -0.355 0.000 2.471 104 M HA 0.585 5.064 4.480 -0.001 0.000 0.284 104 M C -1.944 174.227 176.300 -0.214 0.000 1.203 104 M CA -0.666 54.484 55.300 -0.250 0.000 0.915 104 M CB 1.900 34.353 32.600 -0.244 0.000 1.734 104 M HN 0.674 nan 8.290 nan 0.000 0.485 105 D N 1.866 122.178 120.400 -0.146 0.000 2.478 105 D HA 0.294 4.934 4.640 -0.001 0.000 0.269 105 D C 0.747 177.006 176.300 -0.068 0.000 1.232 105 D CA -0.468 53.466 54.000 -0.109 0.000 1.059 105 D CB 0.743 41.497 40.800 -0.077 0.000 1.104 105 D HN 0.837 nan 8.370 nan 0.000 0.566 106 R N -0.656 119.816 120.500 -0.046 0.000 2.092 106 R HA -0.144 4.195 4.340 -0.001 0.000 0.231 106 R C 1.030 177.341 176.300 0.019 0.000 1.119 106 R CA 1.422 57.518 56.100 -0.006 0.000 0.970 106 R CB -0.200 30.099 30.300 -0.001 0.000 0.864 106 R HN 0.425 nan 8.270 nan 0.000 0.440 107 D N 0.395 120.798 120.400 0.004 0.000 2.087 107 D HA -0.173 4.467 4.640 -0.001 0.000 0.192 107 D C 1.767 178.082 176.300 0.025 0.000 0.993 107 D CA 1.850 55.858 54.000 0.014 0.000 0.828 107 D CB -0.465 40.336 40.800 0.001 0.000 0.968 107 D HN 0.367 nan 8.370 nan 0.000 0.448 108 A N 0.511 123.331 122.820 0.001 0.000 1.917 108 A HA -0.181 4.139 4.320 -0.001 0.000 0.219 108 A C 2.206 179.828 177.584 0.064 0.000 1.182 108 A CA 1.470 53.505 52.037 -0.004 0.000 0.633 108 A CB -0.836 18.116 19.000 -0.080 0.000 0.819 108 A HN 0.283 nan 8.150 nan 0.000 0.448 109 L N -0.380 120.891 121.223 0.080 0.000 2.056 109 L HA -0.110 4.230 4.340 -0.001 0.000 0.207 109 L C 2.435 179.429 176.870 0.208 0.000 1.078 109 L CA 1.992 56.950 54.840 0.196 0.000 0.749 109 L CB -0.455 41.703 42.059 0.165 0.000 0.901 109 L HN 0.339 nan 8.230 nan 0.000 0.433 110 R N -1.102 119.477 120.500 0.132 0.000 2.115 110 R HA -0.066 4.274 4.340 -0.001 0.000 0.230 110 R C 2.251 178.616 176.300 0.108 0.000 1.111 110 R CA 1.323 57.486 56.100 0.105 0.000 0.976 110 R CB -0.361 29.982 30.300 0.072 0.000 0.870 110 R HN 0.379 nan 8.270 nan 0.000 0.445 111 S N -0.182 115.590 115.700 0.119 0.000 2.387 111 S HA -0.137 4.333 4.470 -0.001 0.000 0.226 111 S C 1.215 175.938 174.600 0.205 0.000 1.026 111 S CA 0.692 58.966 58.200 0.124 0.000 0.972 111 S CB -0.201 63.055 63.200 0.094 0.000 0.814 111 S HN 0.437 nan 8.310 nan 0.000 0.477 112 W N 2.395 123.705 121.300 0.015 0.000 2.358 112 W HA -0.026 4.633 4.660 -0.001 0.000 0.303 112 W C 1.535 178.067 176.519 0.020 0.000 1.208 112 W CA 0.442 57.801 57.345 0.023 0.000 1.274 112 W CB -0.513 28.958 29.460 0.019 0.000 1.138 112 W HN 0.152 nan 8.180 nan 0.000 0.515 113 I N 0.713 121.346 120.570 0.106 0.000 2.252 113 I HA -0.201 3.968 4.170 -0.001 0.000 0.245 113 I C 2.567 178.669 176.117 -0.024 0.000 1.102 113 I CA 1.519 62.795 61.300 -0.039 0.000 1.385 113 I CB -1.965 36.029 38.000 -0.010 0.000 1.064 113 I HN 0.006 nan 8.210 nan 0.000 0.414 114 A N 0.118 122.955 122.820 0.027 0.000 1.948 114 A HA -0.268 4.051 4.320 -0.001 0.000 0.220 114 A C 2.196 179.793 177.584 0.020 0.000 1.177 114 A CA 2.136 54.186 52.037 0.022 0.000 0.636 114 A CB -0.705 18.319 19.000 0.040 0.000 0.815 114 A HN 0.439 nan 8.150 nan 0.000 0.449 115 D N -1.097 119.328 120.400 0.042 0.000 2.123 115 D HA -0.071 4.568 4.640 -0.001 0.000 0.200 115 D C 1.083 177.381 176.300 -0.004 0.000 0.976 115 D CA 0.805 54.833 54.000 0.047 0.000 0.831 115 D CB 0.071 40.947 40.800 0.126 0.000 0.974 115 D HN 0.393 nan 8.370 nan 0.000 0.469 116 R N 0.207 120.661 120.500 -0.078 0.000 2.513 116 R HA 0.193 4.532 4.340 -0.001 0.000 0.283 116 R C -2.088 174.121 176.300 -0.151 0.000 1.535 116 R CA -1.240 54.789 56.100 -0.118 0.000 1.315 116 R CB 1.577 31.770 30.300 -0.177 0.000 1.163 116 R HN -0.092 nan 8.270 nan 0.000 0.573 117 P HA -0.127 nan 4.420 nan 0.000 0.223 117 P C 1.056 178.287 177.300 -0.114 0.000 1.144 117 P CA 1.371 64.416 63.100 -0.093 0.000 0.783 117 P CB 0.372 32.037 31.700 -0.058 0.000 0.771 118 E N 0.538 120.668 120.200 -0.117 0.000 2.204 118 E HA -0.154 4.195 4.350 -0.001 0.000 0.195 118 E C 1.925 178.428 176.600 -0.163 0.000 0.990 118 E CA 1.007 57.338 56.400 -0.114 0.000 0.821 118 E CB -1.531 28.118 29.700 -0.086 0.000 0.750 118 E HN 0.278 nan 8.360 nan 0.000 0.477 119 I N 1.195 121.619 120.570 -0.244 0.000 2.236 119 I HA -0.309 3.860 4.170 -0.001 0.000 0.249 119 I C 2.606 178.596 176.117 -0.212 0.000 1.102 119 I CA 1.771 62.881 61.300 -0.317 0.000 1.365 119 I CB -0.170 37.531 38.000 -0.498 0.000 1.051 119 I HN 0.242 nan 8.210 nan 0.000 0.420 120 S N -0.239 115.358 115.700 -0.171 0.000 2.399 120 S HA -0.225 4.245 4.470 -0.001 0.000 0.231 120 S C 1.896 176.410 174.600 -0.143 0.000 1.022 120 S CA 1.158 59.264 58.200 -0.156 0.000 0.983 120 S CB -0.272 62.843 63.200 -0.141 0.000 0.803 120 S HN 0.481 nan 8.310 nan 0.000 0.480 121 E N 0.563 120.690 120.200 -0.121 0.000 2.150 121 E HA -0.193 4.157 4.350 -0.001 0.000 0.193 121 E C 2.192 178.739 176.600 -0.087 0.000 0.985 121 E CA 0.815 57.157 56.400 -0.096 0.000 0.814 121 E CB -0.025 29.627 29.700 -0.079 0.000 0.752 121 E HN 0.308 nan 8.360 nan 0.000 0.466 122 Q N 0.583 120.323 119.800 -0.101 0.000 2.119 122 Q HA -0.084 4.256 4.340 -0.001 0.000 0.201 122 Q C 2.024 177.991 176.000 -0.055 0.000 0.972 122 Q CA 1.141 56.895 55.803 -0.082 0.000 0.847 122 Q CB -0.123 28.545 28.738 -0.116 0.000 0.903 122 Q HN 0.305 nan 8.270 nan 0.000 0.433 123 L N -0.454 120.728 121.223 -0.069 0.000 2.093 123 L HA -0.153 4.187 4.340 -0.001 0.000 0.208 123 L C 2.261 179.094 176.870 -0.061 0.000 1.085 123 L CA 0.805 55.625 54.840 -0.033 0.000 0.755 123 L CB -0.504 41.505 42.059 -0.083 0.000 0.904 123 L HN 0.249 nan 8.230 nan 0.000 0.435 124 L N -0.411 120.749 121.223 -0.104 0.000 2.017 124 L HA -0.217 4.123 4.340 -0.001 0.000 0.208 124 L C 2.892 179.741 176.870 -0.036 0.000 1.073 124 L CA 1.245 56.033 54.840 -0.086 0.000 0.745 124 L CB -0.513 41.492 42.059 -0.091 0.000 0.894 124 L HN 0.259 nan 8.230 nan 0.000 0.432 125 R N -0.021 120.461 120.500 -0.030 0.000 2.083 125 R HA -0.170 4.169 4.340 -0.001 0.000 0.237 125 R C 2.201 178.506 176.300 0.009 0.000 1.137 125 R CA 1.780 57.872 56.100 -0.012 0.000 0.951 125 R CB -0.247 30.042 30.300 -0.018 0.000 0.851 125 R HN 0.151 nan 8.270 nan 0.000 0.434 126 V N 1.358 121.286 119.914 0.024 0.000 2.295 126 V HA -0.250 3.870 4.120 -0.001 0.000 0.246 126 V C 2.440 178.576 176.094 0.069 0.000 1.049 126 V CA 1.719 64.051 62.300 0.054 0.000 1.024 126 V CB -0.381 31.490 31.823 0.080 0.000 0.648 126 V HN 0.354 nan 8.190 nan 0.000 0.447 127 L N -0.100 121.171 121.223 0.079 0.000 2.017 127 L HA -0.190 4.150 4.340 -0.001 0.000 0.208 127 L C 2.770 179.672 176.870 0.054 0.000 1.073 127 L CA 1.667 56.560 54.840 0.088 0.000 0.745 127 L CB -0.855 41.262 42.059 0.097 0.000 0.894 127 L HN 0.384 nan 8.230 nan 0.000 0.432 128 A N 0.267 123.105 122.820 0.031 0.000 1.892 128 A HA -0.256 4.063 4.320 -0.001 0.000 0.218 128 A C 2.350 179.949 177.584 0.024 0.000 1.188 128 A CA 1.898 53.947 52.037 0.020 0.000 0.631 128 A CB -0.535 18.469 19.000 0.006 0.000 0.822 128 A HN 0.364 nan 8.150 nan 0.000 0.447 129 R N -1.384 119.132 120.500 0.026 0.000 2.092 129 R HA -0.046 4.293 4.340 -0.001 0.000 0.231 129 R C 2.506 178.825 176.300 0.032 0.000 1.119 129 R CA 1.379 57.493 56.100 0.024 0.000 0.970 129 R CB -0.264 30.049 30.300 0.022 0.000 0.864 129 R HN 0.526 nan 8.270 nan 0.000 0.440 130 R N 0.479 121.006 120.500 0.044 0.000 2.096 130 R HA -0.119 4.221 4.340 -0.001 0.000 0.235 130 R C 2.008 178.336 176.300 0.046 0.000 1.127 130 R CA 1.034 57.165 56.100 0.052 0.000 0.968 130 R CB -0.157 30.186 30.300 0.072 0.000 0.861 130 R HN 0.085 nan 8.270 nan 0.000 0.440 131 L N 0.831 122.080 121.223 0.043 0.000 2.109 131 L HA -0.051 4.288 4.340 -0.001 0.000 0.207 131 L C 2.090 178.979 176.870 0.031 0.000 1.086 131 L CA 1.583 56.446 54.840 0.038 0.000 0.760 131 L CB -0.414 41.666 42.059 0.036 0.000 0.910 131 L HN 0.073 nan 8.230 nan 0.000 0.437 132 R N -0.810 119.707 120.500 0.027 0.000 2.083 132 R HA -0.209 4.131 4.340 -0.001 0.000 0.237 132 R C 2.429 178.745 176.300 0.026 0.000 1.137 132 R CA 1.895 58.009 56.100 0.024 0.000 0.951 132 R CB -0.340 29.971 30.300 0.019 0.000 0.851 132 R HN 0.319 nan 8.270 nan 0.000 0.434 133 R N -0.055 120.460 120.500 0.026 0.000 2.092 133 R HA -0.080 4.259 4.340 -0.001 0.000 0.231 133 R C 1.898 178.215 176.300 0.029 0.000 1.119 133 R CA 1.796 57.911 56.100 0.025 0.000 0.970 133 R CB -0.071 30.243 30.300 0.024 0.000 0.864 133 R HN 0.150 nan 8.270 nan 0.000 0.440 134 T N 1.163 115.737 114.554 0.032 0.000 2.821 134 T HA -0.059 4.290 4.350 -0.001 0.000 0.267 134 T C 1.393 176.111 174.700 0.030 0.000 1.046 134 T CA 1.223 63.341 62.100 0.031 0.000 1.139 134 T CB -0.298 68.590 68.868 0.033 0.000 0.871 134 T HN 0.316 nan 8.240 nan 0.000 0.454 135 N N 1.981 120.700 118.700 0.032 0.000 2.061 135 N HA -0.102 4.637 4.740 -0.001 0.000 0.193 135 N C 1.744 177.281 175.510 0.046 0.000 1.030 135 N CA 1.124 54.196 53.050 0.037 0.000 0.856 135 N CB -0.522 37.987 38.487 0.037 0.000 1.023 135 N HN 0.354 nan 8.380 nan 0.000 0.424 136 N N 1.034 119.760 118.700 0.044 0.000 2.216 136 N HA -0.039 4.700 4.740 -0.001 0.000 0.183 136 N C 1.226 176.766 175.510 0.050 0.000 1.017 136 N CA 0.539 53.620 53.050 0.052 0.000 0.861 136 N CB -0.510 38.002 38.487 0.040 0.000 0.986 136 N HN 0.276 nan 8.380 nan 0.000 0.428 137 N N 1.567 120.290 118.700 0.037 0.000 2.061 137 N HA -0.143 4.596 4.740 -0.001 0.000 0.193 137 N C 1.893 177.416 175.510 0.022 0.000 1.030 137 N CA 0.488 53.556 53.050 0.030 0.000 0.856 137 N CB -0.639 37.862 38.487 0.024 0.000 1.023 137 N HN 0.260 nan 8.380 nan 0.000 0.424 138 L N 0.663 121.897 121.223 0.019 0.000 1.989 138 L HA -0.175 4.165 4.340 -0.001 0.000 0.211 138 L C 2.169 179.032 176.870 -0.012 0.000 1.071 138 L CA 1.666 56.505 54.840 -0.001 0.000 0.749 138 L CB -0.446 41.616 42.059 0.004 0.000 0.890 138 L HN 0.147 nan 8.230 nan 0.000 0.431 139 A N -0.306 122.542 122.820 0.046 0.000 1.908 139 A HA -0.281 4.039 4.320 -0.001 0.000 0.218 139 A C 1.855 179.507 177.584 0.113 0.000 1.181 139 A CA 2.148 54.260 52.037 0.123 0.000 0.627 139 A CB -0.827 18.327 19.000 0.257 0.000 0.818 139 A HN 0.569 nan 8.150 nan 0.000 0.445 140 D N -0.112 120.347 120.400 0.097 0.000 2.178 140 D HA -0.094 4.545 4.640 -0.001 0.000 0.201 140 D C 1.872 178.193 176.300 0.035 0.000 0.980 140 D CA 0.909 54.965 54.000 0.092 0.000 0.842 140 D CB -0.314 40.529 40.800 0.071 0.000 0.948 140 D HN 0.483 nan 8.370 nan 0.000 0.472 141 L N 0.255 121.469 121.223 -0.014 0.000 2.072 141 L HA -0.065 4.274 4.340 -0.001 0.000 0.205 141 L C 2.454 179.261 176.870 -0.106 0.000 1.079 141 L CA 0.571 55.387 54.840 -0.041 0.000 0.752 141 L CB -0.205 41.830 42.059 -0.040 0.000 0.906 141 L HN 0.002 nan 8.230 nan 0.000 0.436 142 I N -0.915 119.522 120.570 -0.222 0.000 2.142 142 I HA -0.298 3.871 4.170 -0.001 0.000 0.240 142 I C 1.947 177.818 176.117 -0.410 0.000 1.078 142 I CA 1.724 62.750 61.300 -0.457 0.000 1.343 142 I CB -0.251 37.187 38.000 -0.938 0.000 1.046 142 I HN 0.132 nan 8.210 nan 0.000 0.405 143 F N -0.086 119.872 119.950 0.013 0.000 2.746 143 F HA 0.135 4.662 4.527 -0.001 0.000 0.297 143 F C 0.804 176.615 175.800 0.018 0.000 1.113 143 F CA 0.204 58.212 58.000 0.014 0.000 1.367 143 F CB -0.192 38.815 39.000 0.012 0.000 1.111 143 F HN -0.162 nan 8.300 nan 0.000 0.590 144 T N 1.535 116.180 114.554 0.152 0.000 2.809 144 T HA 0.262 4.611 4.350 -0.001 0.000 0.284 144 T C -0.602 174.147 174.700 0.082 0.000 0.992 144 T CA -0.947 61.224 62.100 0.117 0.000 0.957 144 T CB 1.431 70.365 68.868 0.109 0.000 0.942 144 T HN 0.012 nan 8.240 nan 0.000 0.439 145 D N 2.429 122.878 120.400 0.081 0.000 2.362 145 D HA 0.014 4.653 4.640 -0.001 0.000 0.238 145 D C 1.448 177.790 176.300 0.070 0.000 1.212 145 D CA -0.521 53.519 54.000 0.067 0.000 0.902 145 D CB 0.490 41.331 40.800 0.068 0.000 1.180 145 D HN 0.160 nan 8.370 nan 0.000 0.445 146 V N 1.317 121.262 119.914 0.051 0.000 2.252 146 V HA -0.186 3.934 4.120 -0.001 0.000 0.249 146 V C -0.655 175.486 176.094 0.077 0.000 1.056 146 V CA 2.370 64.697 62.300 0.045 0.000 1.022 146 V CB -1.650 30.183 31.823 0.015 0.000 0.641 146 V HN 0.664 nan 8.190 nan 0.000 0.445 147 P HA -0.064 nan 4.420 nan 0.000 0.222 147 P C 1.607 179.104 177.300 0.328 0.000 1.147 147 P CA 1.711 64.926 63.100 0.192 0.000 0.790 147 P CB -0.325 31.468 31.700 0.154 0.000 0.780 148 G N 0.232 109.158 108.800 0.209 0.000 2.403 148 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.216 148 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.216 148 G C 1.693 176.672 174.900 0.132 0.000 1.154 148 G CA 0.210 45.409 45.100 0.165 0.000 0.784 148 G HN 0.217 nan 8.290 nan 0.000 0.538 149 R N -0.091 120.479 120.500 0.117 0.000 2.090 149 R HA 0.032 4.372 4.340 -0.001 0.000 0.228 149 R C 2.609 178.972 176.300 0.104 0.000 1.110 149 R CA 0.891 57.045 56.100 0.090 0.000 0.973 149 R CB -0.592 29.748 30.300 0.067 0.000 0.869 149 R HN 0.277 nan 8.270 nan 0.000 0.440 150 V N 1.436 121.438 119.914 0.147 0.000 2.287 150 V HA -0.269 3.850 4.120 -0.001 0.000 0.248 150 V C 2.526 178.754 176.094 0.225 0.000 1.053 150 V CA 2.098 64.509 62.300 0.184 0.000 1.027 150 V CB -0.727 31.232 31.823 0.226 0.000 0.646 150 V HN 0.394 nan 8.190 nan 0.000 0.447 151 A N -0.595 122.377 122.820 0.255 0.000 1.898 151 A HA -0.246 4.073 4.320 -0.001 0.000 0.216 151 A C 2.343 179.948 177.584 0.034 0.000 1.181 151 A CA 2.092 54.171 52.037 0.070 0.000 0.620 151 A CB -0.474 18.473 19.000 -0.088 0.000 0.819 151 A HN 0.511 nan 8.150 nan 0.000 0.442 152 K N -1.023 119.407 120.400 0.051 0.000 2.026 152 K HA -0.197 4.123 4.320 -0.001 0.000 0.208 152 K C 2.339 178.962 176.600 0.038 0.000 1.048 152 K CA 1.479 57.786 56.287 0.034 0.000 0.929 152 K CB -0.145 32.379 32.500 0.041 0.000 0.713 152 K HN 0.362 nan 8.250 nan 0.000 0.439 153 Q N 0.772 120.603 119.800 0.052 0.000 2.061 153 Q HA -0.166 4.174 4.340 -0.001 0.000 0.204 153 Q C 2.237 178.268 176.000 0.052 0.000 0.984 153 Q CA 1.410 57.241 55.803 0.047 0.000 0.846 153 Q CB -0.355 28.408 28.738 0.041 0.000 0.902 153 Q HN 0.392 nan 8.270 nan 0.000 0.421 154 L N 0.161 121.421 121.223 0.061 0.000 2.013 154 L HA -0.240 4.100 4.340 -0.001 0.000 0.212 154 L C 2.450 179.359 176.870 0.065 0.000 1.073 154 L CA 1.112 55.996 54.840 0.073 0.000 0.753 154 L CB -0.575 41.537 42.059 0.088 0.000 0.890 154 L HN 0.227 nan 8.230 nan 0.000 0.432 155 L N -1.133 120.112 121.223 0.036 0.000 2.141 155 L HA -0.211 4.128 4.340 -0.001 0.000 0.209 155 L C 2.579 179.458 176.870 0.015 0.000 1.094 155 L CA 1.110 55.961 54.840 0.018 0.000 0.763 155 L CB -0.439 41.617 42.059 -0.006 0.000 0.908 155 L HN 0.349 nan 8.230 nan 0.000 0.437 156 Q N -0.096 119.714 119.800 0.017 0.000 2.096 156 Q HA -0.095 4.245 4.340 -0.001 0.000 0.197 156 Q C 2.392 178.381 176.000 -0.017 0.000 0.964 156 Q CA 1.012 56.812 55.803 -0.004 0.000 0.838 156 Q CB -0.010 28.730 28.738 0.003 0.000 0.906 156 Q HN 0.480 nan 8.270 nan 0.000 0.444 157 L N 0.202 121.455 121.223 0.051 0.000 2.131 157 L HA -0.190 4.149 4.340 -0.001 0.000 0.210 157 L C 2.435 179.376 176.870 0.119 0.000 1.092 157 L CA 0.826 55.750 54.840 0.139 0.000 0.759 157 L CB -0.570 41.647 42.059 0.263 0.000 0.903 157 L HN 0.224 nan 8.230 nan 0.000 0.435 158 A N -0.270 122.599 122.820 0.083 0.000 1.902 158 A HA -0.235 4.084 4.320 -0.001 0.000 0.217 158 A C 2.273 179.863 177.584 0.010 0.000 1.181 158 A CA 1.520 53.596 52.037 0.066 0.000 0.623 158 A CB -0.385 18.645 19.000 0.050 0.000 0.818 158 A HN 0.485 nan 8.150 nan 0.000 0.443 159 Q N -1.189 118.590 119.800 -0.035 0.000 2.046 159 Q HA -0.176 4.163 4.340 -0.001 0.000 0.200 159 Q C 2.631 178.552 176.000 -0.132 0.000 0.975 159 Q CA 1.923 57.688 55.803 -0.064 0.000 0.836 159 Q CB -0.328 28.374 28.738 -0.061 0.000 0.896 159 Q HN 0.722 nan 8.270 nan 0.000 0.428 160 R N 0.591 120.924 120.500 -0.278 0.000 2.090 160 R HA -0.046 4.294 4.340 -0.001 0.000 0.228 160 R C 1.192 177.145 176.300 -0.577 0.000 1.110 160 R CA 1.456 57.214 56.100 -0.570 0.000 0.973 160 R CB -0.659 29.046 30.300 -0.992 0.000 0.869 160 R HN 0.283 nan 8.270 nan 0.000 0.440 161 F N -0.740 119.237 119.950 0.046 0.000 2.791 161 F HA 0.481 5.008 4.527 -0.001 0.000 0.316 161 F C 1.054 176.878 175.800 0.040 0.000 1.134 161 F CA -1.201 56.826 58.000 0.044 0.000 1.222 161 F CB 0.542 39.573 39.000 0.051 0.000 1.034 161 F HN 0.295 nan 8.300 nan 0.000 0.516 162 G N 0.528 109.415 108.800 0.144 0.000 2.400 162 G HA2 0.549 4.509 3.960 -0.001 0.000 0.301 162 G HA3 0.549 4.509 3.960 -0.001 0.000 0.301 162 G C -0.518 174.430 174.900 0.080 0.000 1.154 162 G CA -0.388 44.776 45.100 0.106 0.000 0.852 162 G HN 0.094 nan 8.290 nan 0.000 0.511 163 T N -2.178 112.417 114.554 0.068 0.000 2.933 163 T HA 0.533 4.882 4.350 -0.001 0.000 0.305 163 T C -0.559 174.166 174.700 0.042 0.000 1.092 163 T CA -0.705 61.426 62.100 0.052 0.000 1.008 163 T CB 1.829 70.728 68.868 0.052 0.000 1.102 163 T HN 0.621 nan 8.240 nan 0.000 0.469 164 Q N 1.403 121.223 119.800 0.034 0.000 2.313 164 Q HA 0.242 4.582 4.340 -0.001 0.000 0.266 164 Q C -0.505 175.511 176.000 0.027 0.000 0.989 164 Q CA -0.103 55.717 55.803 0.028 0.000 0.890 164 Q CB 0.471 29.223 28.738 0.023 0.000 1.200 164 Q HN 0.810 nan 8.270 nan 0.000 0.396 165 E N 2.951 123.166 120.200 0.026 0.000 2.346 165 E HA 0.409 4.759 4.350 -0.001 0.000 0.239 165 E C 0.728 177.340 176.600 0.021 0.000 0.943 165 E CA 0.134 56.548 56.400 0.023 0.000 0.751 165 E CB 1.021 30.735 29.700 0.024 0.000 1.241 165 E HN 1.062 nan 8.360 nan 0.000 0.423 166 G N 3.058 111.869 108.800 0.018 0.000 2.602 166 G HA2 -0.428 3.532 3.960 -0.001 0.000 0.310 166 G HA3 -0.428 3.532 3.960 -0.001 0.000 0.310 166 G C 0.920 175.830 174.900 0.016 0.000 1.183 166 G CA 0.149 45.259 45.100 0.016 0.000 0.979 166 G HN 0.624 nan 8.290 nan 0.000 0.545 167 G N 0.780 109.589 108.800 0.016 0.000 2.880 167 G HA2 0.617 4.577 3.960 -0.001 0.000 0.209 167 G HA3 0.617 4.577 3.960 -0.001 0.000 0.209 167 G C 0.578 175.489 174.900 0.018 0.000 1.157 167 G CA 1.844 46.953 45.100 0.015 0.000 0.779 167 G HN 1.796 nan 8.290 nan 0.000 0.539 168 A N -0.670 122.164 122.820 0.024 0.000 2.344 168 A HA 0.814 5.133 4.320 -0.001 0.000 0.307 168 A C -1.447 176.156 177.584 0.032 0.000 1.151 168 A CA -0.686 51.369 52.037 0.030 0.000 0.842 168 A CB 1.662 20.684 19.000 0.038 0.000 1.350 168 A HN 0.328 nan 8.150 nan 0.000 0.459 169 L N 0.306 121.552 121.223 0.038 0.000 2.325 169 L HA 0.590 4.929 4.340 -0.001 0.000 0.281 169 L C 0.130 177.032 176.870 0.054 0.000 1.004 169 L CA -0.276 54.589 54.840 0.043 0.000 0.823 169 L CB 1.357 43.440 42.059 0.041 0.000 1.236 169 L HN 0.738 nan 8.230 nan 0.000 0.415 170 R N 3.910 124.441 120.500 0.051 0.000 2.221 170 R HA 0.591 4.931 4.340 -0.001 0.000 0.327 170 R C -1.494 174.848 176.300 0.070 0.000 1.033 170 R CA -0.453 55.678 56.100 0.052 0.000 0.887 170 R CB 0.900 31.221 30.300 0.035 0.000 1.057 170 R HN 0.538 nan 8.270 nan 0.000 0.455 171 V N 4.671 124.638 119.914 0.088 0.000 2.293 171 V HA 0.167 4.287 4.120 -0.001 0.000 0.275 171 V C -0.145 175.987 176.094 0.064 0.000 1.021 171 V CA -0.595 61.785 62.300 0.134 0.000 0.815 171 V CB 1.542 33.483 31.823 0.196 0.000 1.025 171 V HN 0.804 nan 8.190 nan 0.000 0.448 172 T N 4.466 119.033 114.554 0.022 0.000 3.185 172 T HA 0.142 4.491 4.350 -0.001 0.000 0.287 172 T C 1.125 175.735 174.700 -0.151 0.000 1.051 172 T CA -0.028 61.998 62.100 -0.124 0.000 1.051 172 T CB -0.314 68.504 68.868 -0.082 0.000 1.034 172 T HN 0.926 nan 8.240 nan 0.000 0.685 173 H N 0.423 119.479 119.070 -0.023 0.000 2.497 173 H HA 0.204 4.760 4.556 -0.001 0.000 0.282 173 H C 0.807 176.048 175.328 -0.145 0.000 1.003 173 H CA 0.151 56.164 56.048 -0.058 0.000 1.307 173 H CB 0.082 29.870 29.762 0.044 0.000 1.437 173 H HN 0.455 nan 8.280 nan 0.000 0.544 174 D N -0.166 120.134 120.400 -0.168 0.000 3.041 174 D HA -0.152 4.487 4.640 -0.001 0.000 0.220 174 D C -0.763 175.564 176.300 0.045 0.000 1.157 174 D CA 0.770 54.714 54.000 -0.094 0.000 0.876 174 D CB -1.240 39.471 40.800 -0.150 0.000 1.107 174 D HN 0.388 nan 8.370 nan 0.000 0.422 175 L N 0.579 121.974 121.223 0.286 0.000 2.334 175 L HA 0.383 4.722 4.340 -0.001 0.000 0.276 175 L C 1.380 178.345 176.870 0.157 0.000 1.014 175 L CA -0.660 54.289 54.840 0.182 0.000 0.815 175 L CB 1.772 43.898 42.059 0.111 0.000 1.268 175 L HN -0.062 nan 8.230 nan 0.000 0.428 176 T N -1.913 112.677 114.554 0.059 0.000 2.813 176 T HA 0.086 4.435 4.350 -0.001 0.000 0.297 176 T C 0.761 175.469 174.700 0.013 0.000 1.036 176 T CA -0.383 61.741 62.100 0.039 0.000 1.044 176 T CB 1.107 69.981 68.868 0.010 0.000 0.993 176 T HN 0.649 nan 8.240 nan 0.000 0.535 177 Q N -0.190 119.615 119.800 0.009 0.000 2.124 177 Q HA -0.171 4.169 4.340 -0.001 0.000 0.202 177 Q C 2.210 178.195 176.000 -0.024 0.000 0.977 177 Q CA 1.829 57.622 55.803 -0.016 0.000 0.850 177 Q CB -0.169 28.562 28.738 -0.010 0.000 0.901 177 Q HN 0.906 nan 8.270 nan 0.000 0.429 178 E N 1.159 121.348 120.200 -0.018 0.000 2.085 178 E HA -0.223 4.126 4.350 -0.001 0.000 0.194 178 E C 1.419 178.004 176.600 -0.025 0.000 0.994 178 E CA 1.702 58.089 56.400 -0.022 0.000 0.801 178 E CB 0.048 29.736 29.700 -0.020 0.000 0.743 178 E HN 0.349 nan 8.360 nan 0.000 0.453 179 E N -0.207 119.978 120.200 -0.025 0.000 2.106 179 E HA -0.115 4.234 4.350 -0.001 0.000 0.192 179 E C 2.214 178.794 176.600 -0.034 0.000 0.984 179 E CA 1.124 57.508 56.400 -0.027 0.000 0.806 179 E CB -0.148 29.539 29.700 -0.022 0.000 0.750 179 E HN 0.381 nan 8.360 nan 0.000 0.458 180 I N 1.117 121.657 120.570 -0.050 0.000 2.208 180 I HA -0.287 3.883 4.170 -0.001 0.000 0.245 180 I C 2.517 178.613 176.117 -0.034 0.000 1.097 180 I CA 0.973 62.236 61.300 -0.062 0.000 1.363 180 I CB -0.325 37.612 38.000 -0.104 0.000 1.051 180 I HN 0.104 nan 8.210 nan 0.000 0.413 181 A N 0.197 122.999 122.820 -0.030 0.000 1.930 181 A HA -0.237 4.082 4.320 -0.001 0.000 0.217 181 A C 2.232 179.806 177.584 -0.017 0.000 1.175 181 A CA 1.437 53.461 52.037 -0.022 0.000 0.627 181 A CB -0.539 18.446 19.000 -0.024 0.000 0.815 181 A HN 0.473 nan 8.150 nan 0.000 0.443 182 Q N -1.168 118.620 119.800 -0.020 0.000 2.167 182 Q HA -0.066 4.273 4.340 -0.001 0.000 0.202 182 Q C 1.839 177.831 176.000 -0.013 0.000 0.970 182 Q CA 0.882 56.674 55.803 -0.018 0.000 0.855 182 Q CB -0.194 28.531 28.738 -0.023 0.000 0.911 182 Q HN 0.479 nan 8.270 nan 0.000 0.438 183 L N -0.339 120.877 121.223 -0.011 0.000 2.093 183 L HA -0.087 4.253 4.340 -0.001 0.000 0.208 183 L C 1.813 178.686 176.870 0.005 0.000 1.085 183 L CA 1.386 56.225 54.840 -0.002 0.000 0.755 183 L CB -0.181 41.879 42.059 0.001 0.000 0.904 183 L HN 0.031 nan 8.230 nan 0.000 0.435 184 V N -0.412 119.504 119.914 0.003 0.000 3.649 184 V HA 0.244 4.363 4.120 -0.001 0.000 0.275 184 V C 1.316 177.414 176.094 0.006 0.000 1.281 184 V CA 0.610 62.917 62.300 0.012 0.000 1.143 184 V CB -0.838 30.995 31.823 0.017 0.000 0.892 184 V HN 0.626 nan 8.190 nan 0.000 0.441 185 G N 1.016 109.815 108.800 -0.001 0.000 2.350 185 G HA2 0.022 3.982 3.960 -0.001 0.000 0.298 185 G HA3 0.022 3.982 3.960 -0.001 0.000 0.298 185 G C 0.013 174.908 174.900 -0.007 0.000 1.037 185 G CA 0.607 45.704 45.100 -0.006 0.000 1.074 185 G HN 1.194 nan 8.290 nan 0.000 0.511 186 A N -1.164 121.651 122.820 -0.009 0.000 2.602 186 A HA 1.084 5.404 4.320 -0.001 0.000 0.290 186 A C 0.411 177.986 177.584 -0.016 0.000 1.114 186 A CA 0.595 52.625 52.037 -0.011 0.000 0.683 186 A CB 0.323 19.319 19.000 -0.007 0.000 1.281 186 A HN 2.124 nan 8.150 nan 0.000 0.416 187 S N -0.350 115.339 115.700 -0.018 0.000 2.568 187 S HA 0.364 4.833 4.470 -0.001 0.000 0.282 187 S C 1.127 175.712 174.600 -0.026 0.000 1.338 187 S CA 0.406 58.593 58.200 -0.022 0.000 1.045 187 S CB -0.001 63.186 63.200 -0.023 0.000 0.873 187 S HN 0.707 nan 8.310 nan 0.000 0.516 188 R N 1.273 121.757 120.500 -0.026 0.000 2.134 188 R HA -0.179 4.161 4.340 -0.001 0.000 0.248 188 R C 2.665 178.944 176.300 -0.035 0.000 1.143 188 R CA 2.304 58.387 56.100 -0.029 0.000 0.957 188 R CB -0.779 29.506 30.300 -0.026 0.000 0.867 188 R HN 0.922 nan 8.270 nan 0.000 0.441 189 E N 0.397 120.576 120.200 -0.034 0.000 2.031 189 E HA -0.183 4.166 4.350 -0.001 0.000 0.193 189 E C 1.965 178.534 176.600 -0.050 0.000 0.994 189 E CA 1.875 58.251 56.400 -0.040 0.000 0.800 189 E CB -1.371 28.308 29.700 -0.035 0.000 0.752 189 E HN 0.607 nan 8.360 nan 0.000 0.447 190 T N 0.220 114.747 114.554 -0.045 0.000 2.684 190 T HA -0.154 4.196 4.350 -0.001 0.000 0.267 190 T C 2.182 176.839 174.700 -0.071 0.000 1.036 190 T CA 1.682 63.751 62.100 -0.052 0.000 1.148 190 T CB -0.566 68.281 68.868 -0.035 0.000 0.863 190 T HN 0.229 nan 8.240 nan 0.000 0.436 191 V N 2.585 122.464 119.914 -0.058 0.000 2.307 191 V HA -0.160 3.960 4.120 -0.001 0.000 0.245 191 V C 2.622 178.663 176.094 -0.089 0.000 1.045 191 V CA 1.542 63.805 62.300 -0.062 0.000 1.024 191 V CB -0.766 31.036 31.823 -0.036 0.000 0.651 191 V HN 0.420 nan 8.190 nan 0.000 0.449 192 N N 0.968 119.623 118.700 -0.074 0.000 2.061 192 N HA -0.235 4.504 4.740 -0.001 0.000 0.193 192 N C 1.980 177.421 175.510 -0.114 0.000 1.030 192 N CA 2.479 55.483 53.050 -0.077 0.000 0.856 192 N CB -0.493 37.959 38.487 -0.058 0.000 1.023 192 N HN 0.633 nan 8.380 nan 0.000 0.424 193 K N 0.928 121.255 120.400 -0.122 0.000 2.097 193 K HA 0.194 4.513 4.320 -0.001 0.000 0.205 193 K C 2.193 178.651 176.600 -0.237 0.000 1.050 193 K CA 1.399 57.598 56.287 -0.148 0.000 0.938 193 K CB -0.975 31.455 32.500 -0.117 0.000 0.718 193 K HN 0.331 nan 8.250 nan 0.000 0.442 194 A N 0.680 123.324 122.820 -0.293 0.000 1.929 194 A HA 0.125 4.444 4.320 -0.001 0.000 0.216 194 A C 2.463 179.560 177.584 -0.810 0.000 1.176 194 A CA 1.300 52.995 52.037 -0.570 0.000 0.628 194 A CB -0.269 18.443 19.000 -0.480 0.000 0.816 194 A HN 0.412 nan 8.150 nan 0.000 0.444 195 L N -0.658 120.323 121.223 -0.404 0.000 2.005 195 L HA -0.171 4.169 4.340 -0.001 0.000 0.207 195 L C 3.080 179.853 176.870 -0.161 0.000 1.072 195 L CA 1.124 55.840 54.840 -0.207 0.000 0.744 195 L CB -0.576 41.451 42.059 -0.054 0.000 0.895 195 L HN 0.397 nan 8.230 nan 0.000 0.433 196 A N -0.650 122.082 122.820 -0.146 0.000 2.032 196 A HA -0.290 4.030 4.320 -0.001 0.000 0.221 196 A C 2.023 179.526 177.584 -0.136 0.000 1.165 196 A CA 2.166 54.140 52.037 -0.105 0.000 0.645 196 A CB -0.556 18.387 19.000 -0.095 0.000 0.807 196 A HN 0.431 nan 8.150 nan 0.000 0.453 197 D N -1.110 119.128 120.400 -0.270 0.000 2.103 197 D HA -0.069 4.570 4.640 -0.001 0.000 0.199 197 D C 1.583 177.713 176.300 -0.282 0.000 0.978 197 D CA 1.025 54.842 54.000 -0.305 0.000 0.829 197 D CB -0.214 40.316 40.800 -0.450 0.000 0.981 197 D HN 0.370 nan 8.370 nan 0.000 0.464 198 F N 1.407 121.186 119.950 -0.285 0.000 2.216 198 F HA -0.004 4.523 4.527 -0.001 0.000 0.300 198 F C 2.447 178.035 175.800 -0.353 0.000 1.085 198 F CA 0.524 58.253 58.000 -0.453 0.000 1.326 198 F CB -1.168 37.750 39.000 -0.136 0.000 1.027 198 F HN -0.064 nan 8.300 nan 0.000 0.497 199 A N -1.495 121.324 122.820 -0.001 0.000 2.016 199 A HA -0.154 4.166 4.320 -0.001 0.000 0.217 199 A C 2.214 179.775 177.584 -0.037 0.000 1.162 199 A CA 1.280 53.317 52.037 -0.000 0.000 0.662 199 A CB -0.933 18.083 19.000 0.026 0.000 0.812 199 A HN 0.455 nan 8.150 nan 0.000 0.450 200 H N -0.319 118.666 119.070 -0.141 0.000 2.384 200 H HA -0.032 4.524 4.556 -0.001 0.000 0.300 200 H C 2.567 177.804 175.328 -0.153 0.000 1.057 200 H CA 1.573 57.547 56.048 -0.124 0.000 1.370 200 H CB 0.135 29.827 29.762 -0.116 0.000 1.417 200 H HN 0.477 nan 8.280 nan 0.000 0.527 201 R N 0.743 121.138 120.500 -0.174 0.000 2.152 201 R HA -0.020 4.320 4.340 -0.001 0.000 0.232 201 R C 2.040 178.188 176.300 -0.252 0.000 1.117 201 R CA 1.622 57.541 56.100 -0.301 0.000 0.981 201 R CB -1.288 28.556 30.300 -0.759 0.000 0.870 201 R HN 0.615 nan 8.270 nan 0.000 0.451 202 G N -2.631 106.022 108.800 -0.246 0.000 2.144 202 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.218 202 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.218 202 G C 0.684 175.672 174.900 0.148 0.000 0.988 202 G CA 0.317 45.400 45.100 -0.030 0.000 0.659 202 G HN 0.553 nan 8.290 nan 0.000 0.522 203 W N 0.501 121.838 121.300 0.060 0.000 3.047 203 W HA 0.520 5.180 4.660 -0.000 0.000 0.250 203 W C 1.341 177.875 176.519 0.026 0.000 1.314 203 W CA 0.329 57.684 57.345 0.017 0.000 1.540 203 W CB -0.670 28.764 29.460 -0.043 0.000 1.127 203 W HN 0.615 nan 8.180 nan 0.000 0.679 204 I N -3.096 117.600 120.570 0.211 0.000 2.913 204 I HA 0.659 4.828 4.170 -0.001 0.000 0.302 204 I C -0.773 175.410 176.117 0.109 0.000 1.246 204 I CA -1.210 60.186 61.300 0.161 0.000 1.010 204 I CB 2.055 40.170 38.000 0.193 0.000 1.259 204 I HN -0.489 nan 8.210 nan 0.000 0.434 205 R N 4.121 124.677 120.500 0.094 0.000 2.343 205 R HA 0.648 4.988 4.340 -0.001 0.000 0.320 205 R C -0.612 175.737 176.300 0.081 0.000 0.956 205 R CA -0.691 55.452 56.100 0.071 0.000 0.836 205 R CB 1.467 31.799 30.300 0.052 0.000 1.151 205 R HN 0.593 nan 8.270 nan 0.000 0.450 206 L N 2.218 123.487 121.223 0.076 0.000 2.312 206 L HA 0.404 4.744 4.340 -0.001 0.000 0.287 206 L C 1.079 177.987 176.870 0.062 0.000 1.091 206 L CA -0.168 54.724 54.840 0.088 0.000 0.846 206 L CB 0.881 42.986 42.059 0.078 0.000 1.219 206 L HN 0.891 nan 8.230 nan 0.000 0.439 207 E N 3.054 123.287 120.200 0.055 0.000 2.490 207 E HA 0.510 4.859 4.350 -0.001 0.000 0.232 207 E C 1.017 177.623 176.600 0.009 0.000 1.091 207 E CA 0.031 56.445 56.400 0.024 0.000 1.050 207 E CB 0.635 30.342 29.700 0.011 0.000 1.342 207 E HN 0.894 nan 8.360 nan 0.000 0.454 208 G N 1.936 110.752 108.800 0.026 0.000 3.099 208 G HA2 -0.389 3.570 3.960 -0.001 0.000 0.331 208 G HA3 -0.389 3.570 3.960 -0.001 0.000 0.331 208 G C 1.101 176.018 174.900 0.028 0.000 1.216 208 G CA 0.872 45.985 45.100 0.020 0.000 0.977 208 G HN 0.683 nan 8.290 nan 0.000 0.600 209 K N 1.212 121.565 120.400 -0.077 0.000 2.726 209 K HA 0.494 4.814 4.320 -0.001 0.000 0.209 209 K C -0.042 176.211 176.600 -0.578 0.000 1.082 209 K CA 0.610 56.744 56.287 -0.255 0.000 1.081 209 K CB 0.756 33.172 32.500 -0.140 0.000 0.830 209 K HN 0.713 nan 8.250 nan 0.000 0.470 210 S N -1.488 113.982 115.700 -0.383 0.000 2.546 210 S HA 0.516 4.986 4.470 -0.001 0.000 0.274 210 S C -0.719 173.851 174.600 -0.050 0.000 1.121 210 S CA -0.793 57.221 58.200 -0.310 0.000 0.887 210 S CB 2.083 65.199 63.200 -0.139 0.000 1.094 210 S HN -0.137 nan 8.310 nan 0.000 0.474 211 V N 2.367 122.333 119.914 0.086 0.000 2.417 211 V HA 0.749 4.869 4.120 -0.001 0.000 0.291 211 V C 0.364 176.525 176.094 0.111 0.000 1.024 211 V CA -0.523 61.877 62.300 0.167 0.000 0.861 211 V CB 1.020 32.999 31.823 0.259 0.000 0.985 211 V HN 1.109 nan 8.190 nan 0.000 0.436 212 L N 6.357 127.634 121.223 0.090 0.000 2.261 212 L HA 0.687 5.026 4.340 -0.001 0.000 0.289 212 L C -0.109 176.814 176.870 0.089 0.000 1.059 212 L CA -0.115 54.770 54.840 0.075 0.000 0.816 212 L CB 0.237 42.330 42.059 0.056 0.000 1.191 212 L HN 0.748 nan 8.230 nan 0.000 0.431 213 I N 3.313 123.935 120.570 0.085 0.000 2.282 213 I HA 0.158 4.328 4.170 -0.001 0.000 0.290 213 I C 1.380 177.542 176.117 0.075 0.000 1.090 213 I CA -0.184 61.170 61.300 0.090 0.000 1.231 213 I CB 0.857 38.901 38.000 0.073 0.000 1.434 213 I HN 0.767 nan 8.210 nan 0.000 0.487 214 S N 2.821 118.577 115.700 0.094 0.000 2.399 214 S HA -0.122 4.347 4.470 -0.001 0.000 0.231 214 S C 0.677 175.315 174.600 0.064 0.000 1.022 214 S CA 1.271 59.519 58.200 0.080 0.000 0.983 214 S CB -0.115 63.145 63.200 0.100 0.000 0.803 214 S HN 0.630 nan 8.310 nan 0.000 0.480 215 D N -0.599 119.846 120.400 0.075 0.000 2.420 215 D HA 0.623 5.262 4.640 -0.001 0.000 0.255 215 D C 0.570 176.835 176.300 -0.059 0.000 1.185 215 D CA 0.062 54.058 54.000 -0.007 0.000 0.904 215 D CB 0.992 41.767 40.800 -0.042 0.000 1.102 215 D HN 0.104 nan 8.370 nan 0.000 0.534 216 S N 2.185 117.851 115.700 -0.057 0.000 2.368 216 S HA -0.108 4.362 4.470 -0.001 0.000 0.224 216 S C 1.788 176.310 174.600 -0.131 0.000 1.029 216 S CA 1.823 59.980 58.200 -0.071 0.000 0.988 216 S CB -0.351 62.824 63.200 -0.042 0.000 0.838 216 S HN 0.496 nan 8.310 nan 0.000 0.462 217 E N 0.642 120.755 120.200 -0.145 0.000 2.038 217 E HA -0.143 4.206 4.350 -0.001 0.000 0.195 217 E C 2.371 178.799 176.600 -0.286 0.000 1.000 217 E CA 2.429 58.723 56.400 -0.176 0.000 0.803 217 E CB -1.525 28.087 29.700 -0.147 0.000 0.750 217 E HN 0.839 nan 8.360 nan 0.000 0.448 218 R N -0.314 119.922 120.500 -0.440 0.000 2.189 218 R HA 0.320 4.659 4.340 -0.001 0.000 0.218 218 R C 2.431 178.177 176.300 -0.925 0.000 1.074 218 R CA 1.489 57.115 56.100 -0.789 0.000 0.991 218 R CB -0.994 28.559 30.300 -1.244 0.000 0.883 218 R HN 0.438 nan 8.270 nan 0.000 0.457 219 L N -0.049 120.825 121.223 -0.582 0.000 2.068 219 L HA 0.265 4.604 4.340 -0.001 0.000 0.204 219 L C 2.845 179.564 176.870 -0.252 0.000 1.076 219 L CA 1.711 56.330 54.840 -0.370 0.000 0.753 219 L CB -0.792 41.151 42.059 -0.194 0.000 0.910 219 L HN 0.398 nan 8.230 nan 0.000 0.439 220 A N -0.004 122.696 122.820 -0.200 0.000 1.884 220 A HA -0.317 4.002 4.320 -0.001 0.000 0.219 220 A C 2.635 180.140 177.584 -0.132 0.000 1.197 220 A CA 3.081 55.037 52.037 -0.135 0.000 0.637 220 A CB -1.081 17.851 19.000 -0.114 0.000 0.827 220 A HN 0.453 nan 8.150 nan 0.000 0.450 221 R N -1.410 118.983 120.500 -0.178 0.000 2.096 221 R HA -0.081 4.258 4.340 -0.001 0.000 0.235 221 R C 2.524 178.756 176.300 -0.112 0.000 1.127 221 R CA 2.573 58.585 56.100 -0.146 0.000 0.968 221 R CB -1.858 28.334 30.300 -0.179 0.000 0.861 221 R HN 0.854 nan 8.270 nan 0.000 0.440 222 R N 0.474 120.885 120.500 -0.148 0.000 2.193 222 R HA 0.445 4.784 4.340 -0.001 0.000 0.229 222 R C 1.825 178.135 176.300 0.016 0.000 1.110 222 R CA 1.319 57.401 56.100 -0.030 0.000 0.988 222 R CB -1.334 28.979 30.300 0.023 0.000 0.871 222 R HN 0.973 nan 8.270 nan 0.000 0.458 223 A N 0.000 122.808 122.820 -0.021 0.000 2.254 223 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 223 A CA 0.000 52.043 52.037 0.010 0.000 0.836 223 A CB 0.000 18.995 19.000 -0.009 0.000 0.831 223 A HN 0.000 nan 8.150 nan 0.000 0.486