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 1c4y_1_2 DATA FIRST_RESID 16 DATA SEQUENCE IVEGSDAEIG MSPWQVMLFR SPQELLcGAS LISDRWVLTA AHcLTENDLL DATA SEQUENCE VRIGKHSRTR YRNIEKISML EKIYIHPRYN WENLDRDIAL MKLKKPVAFS DATA SEQUENCE DYIHPVCLPD RETLLQAGYK GRVTGWGNLK ETWAGQPSVL QVVNLPIVER DATA SEQUENCE PVcKDSTRIR ITDNMFcAYK KRGDAcEGDS GGPFVMKSNN RWYQMGIVSW DATA SEQUENCE GEXGcRDGKY GFYTHVFRLK KWIQKVIDQF G 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 16 I HA 0.000 nan 4.170 nan 0.000 0.288 16 I C 0.000 176.183 176.117 0.111 0.000 1.063 16 I CA 0.000 61.362 61.300 0.103 0.000 1.566 16 I CB 0.000 38.044 38.000 0.074 0.000 1.214 17 V N 6.319 126.305 119.914 0.120 0.000 2.465 17 V HA 0.441 4.561 4.120 -0.000 0.000 0.279 17 V C 0.822 176.984 176.094 0.114 0.000 1.045 17 V CA -0.214 62.157 62.300 0.119 0.000 0.938 17 V CB 1.143 33.034 31.823 0.114 0.000 0.986 17 V HN 0.841 nan 8.190 nan 0.000 0.467 18 E N 1.991 122.253 120.200 0.102 0.000 2.694 18 E HA -0.170 4.180 4.350 -0.000 0.000 0.272 18 E C 0.544 177.196 176.600 0.087 0.000 1.040 18 E CA 1.084 57.538 56.400 0.089 0.000 0.809 18 E CB -1.251 28.504 29.700 0.091 0.000 1.389 18 E HN 1.015 nan 8.360 nan 0.000 0.413 19 G N -0.536 108.313 108.800 0.081 0.000 2.695 19 G HA2 0.723 4.683 3.960 -0.000 0.000 0.213 19 G HA3 0.723 4.683 3.960 -0.000 0.000 0.213 19 G C 0.017 174.946 174.900 0.049 0.000 1.406 19 G CA 0.419 45.559 45.100 0.067 0.000 1.049 19 G HN 0.557 nan 8.290 nan 0.000 0.573 20 S N -1.565 114.154 115.700 0.032 0.000 2.625 20 S HA 0.426 4.896 4.470 -0.000 0.000 0.271 20 S C -1.874 172.730 174.600 0.007 0.000 1.161 20 S CA -0.835 57.380 58.200 0.025 0.000 0.820 20 S CB 1.733 64.950 63.200 0.028 0.000 1.137 20 S HN 0.324 nan 8.310 nan 0.000 0.470 21 D N 1.912 122.320 120.400 0.012 0.000 2.434 21 D HA 0.513 5.153 4.640 -0.000 0.000 0.252 21 D C 0.767 177.075 176.300 0.014 0.000 1.185 21 D CA 0.534 54.540 54.000 0.010 0.000 0.886 21 D CB 0.826 41.647 40.800 0.035 0.000 1.148 21 D HN 0.855 nan 8.370 nan 0.000 0.483 22 A N 3.475 126.290 122.820 -0.008 0.000 2.366 22 A HA 0.148 4.468 4.320 -0.000 0.000 0.250 22 A C 0.553 178.161 177.584 0.040 0.000 1.099 22 A CA -0.349 51.678 52.037 -0.016 0.000 0.794 22 A CB 0.323 19.271 19.000 -0.086 0.000 1.056 22 A HN 0.542 nan 8.150 nan 0.000 0.499 23 E N 0.074 120.260 120.200 -0.024 0.000 2.313 23 E HA 0.334 4.684 4.350 -0.000 0.000 0.272 23 E C -0.818 175.699 176.600 -0.138 0.000 1.038 23 E CA -0.349 56.013 56.400 -0.063 0.000 0.863 23 E CB 0.993 30.651 29.700 -0.069 0.000 1.060 23 E HN 0.495 nan 8.360 nan 0.000 0.402 24 I N 1.793 122.222 120.570 -0.235 0.000 2.587 24 I HA 0.050 4.220 4.170 -0.000 0.000 0.284 24 I C 1.305 177.346 176.117 -0.126 0.000 1.134 24 I CA 0.815 61.944 61.300 -0.286 0.000 1.410 24 I CB -0.058 37.729 38.000 -0.356 0.000 1.392 24 I HN 0.925 nan 8.210 nan 0.000 0.545 25 G N 4.864 113.605 108.800 -0.098 0.000 2.175 25 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.244 25 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.244 25 G C 0.818 175.548 174.900 -0.285 0.000 0.982 25 G CA 0.264 45.260 45.100 -0.173 0.000 0.641 25 G HN 0.623 nan 8.290 nan 0.000 0.527 26 M N 0.481 119.924 119.600 -0.262 0.000 2.229 26 M HA 0.085 4.565 4.480 -0.000 0.000 0.264 26 M C 0.579 176.552 176.300 -0.544 0.000 1.063 26 M CA 1.882 56.992 55.300 -0.317 0.000 1.114 26 M CB 0.074 32.548 32.600 -0.210 0.000 1.387 26 M HN 0.214 nan 8.290 nan 0.000 0.420 27 S N 0.639 115.957 115.700 -0.636 0.000 2.158 27 S HA 0.296 4.765 4.470 -0.000 0.000 0.160 27 S C -2.105 171.813 174.600 -1.137 0.000 1.693 27 S CA -1.059 56.486 58.200 -1.092 0.000 1.251 27 S CB 0.983 63.809 63.200 -0.623 0.000 1.153 27 S HN 0.211 nan 8.310 nan 0.000 0.439 28 P HA -0.011 nan 4.420 nan 0.000 0.230 28 P C 0.517 177.563 177.300 -0.422 0.000 1.158 28 P CA 0.621 63.340 63.100 -0.635 0.000 0.769 28 P CB -0.261 31.179 31.700 -0.433 0.000 0.807 29 W N -1.361 119.922 121.300 -0.029 0.000 3.278 29 W HA 0.422 5.082 4.660 -0.000 0.000 0.308 29 W C 0.462 177.008 176.519 0.045 0.000 1.253 29 W CA -0.611 56.728 57.345 -0.010 0.000 1.759 29 W CB -1.449 27.985 29.460 -0.043 0.000 1.093 29 W HN -0.179 nan 8.180 nan 0.000 0.648 30 Q N 2.366 122.145 119.800 -0.035 0.000 2.262 30 Q HA 0.271 4.611 4.340 -0.000 0.000 0.272 30 Q C -0.752 175.389 176.000 0.236 0.000 1.076 30 Q CA 0.250 56.127 55.803 0.124 0.000 0.905 30 Q CB 0.723 29.436 28.738 -0.042 0.000 1.182 30 Q HN 0.121 nan 8.270 nan 0.000 0.390 31 V N 6.206 126.292 119.914 0.286 0.000 2.459 31 V HA 0.391 4.511 4.120 -0.000 0.000 0.295 31 V C -0.167 176.104 176.094 0.295 0.000 1.029 31 V CA -0.714 61.740 62.300 0.258 0.000 0.874 31 V CB 1.653 33.602 31.823 0.210 0.000 0.985 31 V HN 0.889 nan 8.190 nan 0.000 0.438 32 M N 6.034 125.744 119.600 0.184 0.000 2.066 32 M HA 0.475 4.955 4.480 -0.000 0.000 0.340 32 M C -1.269 175.079 176.300 0.079 0.000 1.053 32 M CA -0.562 54.771 55.300 0.056 0.000 0.983 32 M CB 0.918 33.307 32.600 -0.351 0.000 1.520 32 M HN 0.585 nan 8.290 nan 0.000 0.428 33 L N 5.877 127.173 121.223 0.121 0.000 2.325 33 L HA 0.319 4.659 4.340 -0.000 0.000 0.284 33 L C -1.392 175.576 176.870 0.164 0.000 1.089 33 L CA -0.084 54.828 54.840 0.121 0.000 0.836 33 L CB 0.340 42.458 42.059 0.097 0.000 1.184 33 L HN 0.677 nan 8.230 nan 0.000 0.444 34 F N 5.163 125.090 119.950 -0.039 0.000 2.458 34 F HA 0.515 5.042 4.527 -0.000 0.000 0.330 34 F C 0.383 176.157 175.800 -0.043 0.000 1.082 34 F CA -0.441 57.525 58.000 -0.056 0.000 0.995 34 F CB 1.274 40.230 39.000 -0.073 0.000 1.170 34 F HN 0.415 nan 8.300 nan 0.000 0.478 35 R N 0.981 121.190 120.500 -0.486 0.000 2.843 35 R HA 0.365 4.705 4.340 -0.000 0.000 0.232 35 R C -0.623 175.436 176.300 -0.402 0.000 1.305 35 R CA -0.851 55.029 56.100 -0.367 0.000 1.096 35 R CB 1.685 31.776 30.300 -0.349 0.000 1.455 35 R HN 0.637 nan 8.270 nan 0.000 0.520 36 S N 2.175 117.810 115.700 -0.107 0.000 2.506 36 S HA 0.117 4.586 4.470 -0.000 0.000 0.291 36 S C -1.902 172.638 174.600 -0.100 0.000 1.230 36 S CA -1.312 56.833 58.200 -0.091 0.000 1.107 36 S CB 0.082 63.246 63.200 -0.060 0.000 0.942 36 S HN 0.241 nan 8.310 nan 0.000 0.502 37 P HA 0.164 nan 4.420 nan 0.000 0.272 37 P C -0.740 176.437 177.300 -0.205 0.000 1.240 37 P CA -0.403 62.624 63.100 -0.122 0.000 0.791 37 P CB 0.330 31.965 31.700 -0.108 0.000 0.978 38 Q N 1.197 120.884 119.800 -0.189 0.000 2.325 38 Q HA 0.143 4.483 4.340 -0.000 0.000 0.256 38 Q C -0.012 175.697 176.000 -0.486 0.000 1.142 38 Q CA 0.325 55.934 55.803 -0.324 0.000 0.902 38 Q CB 0.049 28.763 28.738 -0.040 0.000 1.350 38 Q HN 0.459 nan 8.270 nan 0.000 0.449 39 E N 1.791 121.460 120.200 -0.884 0.000 2.392 39 E HA 0.347 4.697 4.350 -0.000 0.000 0.279 39 E C -1.404 174.867 176.600 -0.548 0.000 0.964 39 E CA -1.074 54.991 56.400 -0.559 0.000 0.777 39 E CB 0.885 30.415 29.700 -0.285 0.000 1.249 39 E HN 0.244 nan 8.360 nan 0.000 0.449 40 L N 2.521 123.641 121.223 -0.172 0.000 2.453 40 L HA 0.148 4.488 4.340 -0.000 0.000 0.272 40 L C -0.202 176.634 176.870 -0.057 0.000 1.182 40 L CA 0.289 55.112 54.840 -0.028 0.000 0.858 40 L CB 0.754 42.832 42.059 0.032 0.000 1.120 40 L HN 0.882 nan 8.230 nan 0.000 0.474 41 L N 3.480 124.693 121.223 -0.016 0.000 2.694 41 L HA 0.306 4.646 4.340 -0.000 0.000 0.228 41 L C -0.066 176.834 176.870 0.050 0.000 1.048 41 L CA 0.248 55.086 54.840 -0.005 0.000 0.887 41 L CB 0.705 42.744 42.059 -0.034 0.000 1.265 41 L HN 0.767 nan 8.230 nan 0.000 0.492 42 c N -1.927 116.721 118.600 0.081 0.000 3.209 42 c HA 0.574 5.144 4.570 -0.000 0.000 0.353 42 c C 0.328 174.516 174.090 0.164 0.000 1.436 42 c CA -0.472 55.925 56.329 0.112 0.000 1.186 42 c CB 0.972 43.522 42.510 0.067 0.000 1.550 42 c HN 0.501 nan 8.230 nan 0.000 0.435 43 G N -0.135 108.776 108.800 0.186 0.000 2.705 43 G HA2 0.973 4.933 3.960 -0.000 0.000 0.299 43 G HA3 0.973 4.933 3.960 -0.000 0.000 0.299 43 G C -0.731 174.284 174.900 0.192 0.000 1.315 43 G CA 0.316 45.563 45.100 0.246 0.000 1.045 43 G HN 1.924 nan 8.290 nan 0.000 0.517 44 A N -1.304 121.646 122.820 0.218 0.000 2.456 44 A HA 0.775 5.095 4.320 -0.000 0.000 0.294 44 A C -0.531 177.191 177.584 0.229 0.000 1.057 44 A CA 0.220 52.373 52.037 0.195 0.000 0.623 44 A CB 0.693 19.793 19.000 0.167 0.000 1.338 44 A HN 2.184 nan 8.150 nan 0.000 0.464 45 S N -0.735 115.098 115.700 0.221 0.000 2.569 45 S HA 0.710 5.180 4.470 -0.000 0.000 0.280 45 S C -1.231 173.508 174.600 0.231 0.000 1.111 45 S CA -0.578 57.774 58.200 0.253 0.000 0.887 45 S CB 1.492 64.831 63.200 0.232 0.000 1.095 45 S HN 1.844 nan 8.310 nan 0.000 0.476 46 L N 3.019 124.394 121.223 0.254 0.000 2.261 46 L HA 0.527 4.867 4.340 -0.000 0.000 0.289 46 L C 0.631 177.604 176.870 0.172 0.000 1.059 46 L CA -0.448 54.526 54.840 0.223 0.000 0.816 46 L CB 0.407 42.599 42.059 0.221 0.000 1.191 46 L HN 0.861 nan 8.230 nan 0.000 0.431 47 I N 1.334 122.006 120.570 0.171 0.000 3.941 47 I HA 0.370 4.540 4.170 -0.000 0.000 0.321 47 I C 0.597 176.786 176.117 0.121 0.000 1.284 47 I CA 0.332 61.698 61.300 0.110 0.000 1.226 47 I CB 0.205 38.268 38.000 0.105 0.000 1.045 47 I HN 0.606 nan 8.210 nan 0.000 0.420 48 S N 0.819 116.649 115.700 0.217 0.000 2.694 48 S HA 0.181 4.651 4.470 -0.000 0.000 0.273 48 S C -0.414 174.442 174.600 0.426 0.000 1.180 48 S CA 0.090 58.468 58.200 0.296 0.000 0.864 48 S CB 0.707 64.090 63.200 0.305 0.000 1.198 48 S HN 0.338 nan 8.310 nan 0.000 0.499 49 D N 0.132 120.784 120.400 0.420 0.000 2.347 49 D HA 0.163 4.802 4.640 -0.000 0.000 0.213 49 D C 1.401 177.767 176.300 0.109 0.000 0.985 49 D CA 0.492 54.627 54.000 0.225 0.000 0.879 49 D CB -0.042 40.676 40.800 -0.137 0.000 0.919 49 D HN 0.417 nan 8.370 nan 0.000 0.526 50 R N -1.504 119.082 120.500 0.144 0.000 2.369 50 R HA 0.187 4.527 4.340 -0.000 0.000 0.210 50 R C -0.432 175.763 176.300 -0.176 0.000 0.881 50 R CA -0.046 56.014 56.100 -0.068 0.000 1.031 50 R CB 0.563 30.762 30.300 -0.168 0.000 1.184 50 R HN 0.121 nan 8.270 nan 0.000 0.581 51 W N 0.523 121.882 121.300 0.099 0.000 2.632 51 W HA 0.488 5.148 4.660 0.000 0.000 0.328 51 W C -0.369 176.214 176.519 0.107 0.000 1.044 51 W CA -0.595 56.807 57.345 0.095 0.000 1.225 51 W CB 1.191 30.694 29.460 0.071 0.000 1.396 51 W HN -0.384 nan 8.180 nan 0.000 0.499 52 V N 3.773 123.887 119.914 0.333 0.000 2.769 52 V HA 0.495 4.614 4.120 -0.000 0.000 0.312 52 V C -0.860 175.387 176.094 0.255 0.000 1.058 52 V CA -1.157 61.292 62.300 0.249 0.000 0.952 52 V CB 1.757 33.691 31.823 0.184 0.000 1.019 52 V HN 0.364 nan 8.190 nan 0.000 0.445 53 L N 3.067 124.420 121.223 0.216 0.000 2.322 53 L HA 0.824 5.164 4.340 -0.000 0.000 0.281 53 L C -0.144 176.836 176.870 0.182 0.000 1.014 53 L CA 0.788 55.751 54.840 0.204 0.000 0.815 53 L CB 1.824 43.993 42.059 0.182 0.000 1.247 53 L HN 0.850 nan 8.230 nan 0.000 0.421 54 T N 2.729 117.386 114.554 0.171 0.000 2.754 54 T HA 0.832 5.182 4.350 -0.000 0.000 0.296 54 T C -1.262 173.479 174.700 0.068 0.000 1.205 54 T CA -0.042 62.125 62.100 0.112 0.000 1.009 54 T CB 1.357 70.276 68.868 0.086 0.000 1.368 54 T HN 0.803 nan 8.240 nan 0.000 0.509 55 A N 0.564 123.365 122.820 -0.032 0.000 2.316 55 A HA 0.740 5.060 4.320 -0.000 0.000 0.284 55 A C 1.390 178.830 177.584 -0.240 0.000 1.115 55 A CA 0.238 52.188 52.037 -0.146 0.000 0.812 55 A CB 0.364 19.194 19.000 -0.283 0.000 1.064 55 A HN 1.117 nan 8.150 nan 0.000 0.489 56 A N 0.769 123.375 122.820 -0.357 0.000 1.968 56 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 56 A C 1.774 179.153 177.584 -0.341 0.000 1.169 56 A CA 1.606 53.335 52.037 -0.515 0.000 0.638 56 A CB -1.019 17.247 19.000 -1.223 0.000 0.812 56 A HN 1.086 nan 8.150 nan 0.000 0.446 57 H N -1.757 117.202 119.070 -0.185 0.000 2.518 57 H HA -0.097 4.459 4.556 -0.000 0.000 0.289 57 H C 1.642 177.000 175.328 0.049 0.000 1.051 57 H CA 1.410 57.510 56.048 0.086 0.000 1.280 57 H CB -0.621 29.267 29.762 0.210 0.000 1.380 57 H HN 0.412 nan 8.280 nan 0.000 0.566 58 c N 1.220 119.702 118.600 -0.196 0.000 2.481 58 c HA 0.250 4.819 4.570 -0.000 0.000 0.275 58 c C 1.372 175.450 174.090 -0.020 0.000 1.419 58 c CA -0.237 56.046 56.329 -0.075 0.000 1.773 58 c CB -0.776 41.669 42.510 -0.109 0.000 1.862 58 c HN 0.342 nan 8.230 nan 0.000 0.530 59 L N 0.133 121.337 121.223 -0.031 0.000 2.332 59 L HA 0.472 4.812 4.340 -0.000 0.000 0.269 59 L C 0.571 177.434 176.870 -0.011 0.000 1.016 59 L CA -0.031 54.796 54.840 -0.022 0.000 0.809 59 L CB 1.415 43.455 42.059 -0.031 0.000 1.280 59 L HN 0.071 nan 8.230 nan 0.000 0.447 60 T N -3.016 111.514 114.554 -0.040 0.000 2.937 60 T HA 0.200 4.550 4.350 -0.000 0.000 0.283 60 T C 0.887 175.559 174.700 -0.047 0.000 1.012 60 T CA -0.684 61.389 62.100 -0.044 0.000 0.997 60 T CB 1.251 70.095 68.868 -0.041 0.000 1.136 60 T HN 0.614 nan 8.240 nan 0.000 0.551 61 E N 1.391 121.556 120.200 -0.059 0.000 2.284 61 E HA -0.163 4.187 4.350 -0.000 0.000 0.200 61 E C 1.073 177.645 176.600 -0.047 0.000 1.008 61 E CA 1.203 57.564 56.400 -0.064 0.000 0.829 61 E CB -0.385 29.267 29.700 -0.080 0.000 0.744 61 E HN 0.694 nan 8.360 nan 0.000 0.491 62 N N 0.815 119.490 118.700 -0.041 0.000 2.205 62 N HA 0.005 4.745 4.740 -0.000 0.000 0.201 62 N C 0.176 175.668 175.510 -0.030 0.000 1.128 62 N CA 0.124 53.154 53.050 -0.033 0.000 0.867 62 N CB 0.514 38.982 38.487 -0.032 0.000 0.996 62 N HN 0.089 nan 8.380 nan 0.000 0.503 63 D N 0.821 121.201 120.400 -0.033 0.000 2.271 63 D HA 0.121 4.761 4.640 -0.000 0.000 0.206 63 D C 0.852 177.132 176.300 -0.033 0.000 0.967 63 D CA 0.474 54.451 54.000 -0.038 0.000 0.867 63 D CB 0.594 41.369 40.800 -0.043 0.000 0.960 63 D HN 0.191 nan 8.370 nan 0.000 0.509 64 L N 0.287 121.499 121.223 -0.019 0.000 2.352 64 L HA 0.469 4.809 4.340 -0.000 0.000 0.269 64 L C -0.719 176.170 176.870 0.032 0.000 1.034 64 L CA -0.976 53.867 54.840 0.005 0.000 0.806 64 L CB 1.440 43.500 42.059 0.003 0.000 1.244 64 L HN -0.175 nan 8.230 nan 0.000 0.447 65 L N 2.006 123.279 121.223 0.083 0.000 2.439 65 L HA 0.405 4.744 4.340 -0.000 0.000 0.270 65 L C -0.470 176.460 176.870 0.101 0.000 0.972 65 L CA -0.497 54.399 54.840 0.094 0.000 0.836 65 L CB 2.065 44.219 42.059 0.158 0.000 1.255 65 L HN 0.317 nan 8.230 nan 0.000 0.404 66 V N 3.275 123.226 119.914 0.062 0.000 2.353 66 V HA 0.616 4.735 4.120 -0.000 0.000 0.264 66 V C -0.029 176.091 176.094 0.042 0.000 1.049 66 V CA -0.573 61.766 62.300 0.066 0.000 0.896 66 V CB 0.560 32.424 31.823 0.068 0.000 1.025 66 V HN 0.754 nan 8.190 nan 0.000 0.475 67 R N 5.706 126.214 120.500 0.014 0.000 2.255 67 R HA 0.755 5.094 4.340 -0.000 0.000 0.326 67 R C -0.932 175.385 176.300 0.027 0.000 0.986 67 R CA -0.593 55.492 56.100 -0.025 0.000 0.847 67 R CB 1.421 31.630 30.300 -0.150 0.000 1.111 67 R HN 0.709 nan 8.270 nan 0.000 0.452 68 I N 0.579 121.187 120.570 0.063 0.000 2.707 68 I HA 0.427 4.597 4.170 -0.000 0.000 0.309 68 I C 1.224 177.402 176.117 0.102 0.000 1.001 68 I CA -0.470 60.897 61.300 0.112 0.000 1.129 68 I CB 1.816 39.895 38.000 0.133 0.000 1.308 68 I HN 0.851 nan 8.210 nan 0.000 0.466 69 G N 2.010 110.887 108.800 0.129 0.000 2.166 69 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.260 69 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.260 69 G C 0.288 175.249 174.900 0.103 0.000 0.986 69 G CA -0.036 45.139 45.100 0.124 0.000 0.683 69 G HN 0.578 nan 8.290 nan 0.000 0.527 70 K N -1.339 119.156 120.400 0.159 0.000 2.138 70 K HA 0.526 4.846 4.320 -0.000 0.000 0.251 70 K C 0.830 177.668 176.600 0.396 0.000 1.015 70 K CA 0.083 56.474 56.287 0.173 0.000 0.917 70 K CB 0.945 33.477 32.500 0.053 0.000 1.021 70 K HN 0.390 nan 8.250 nan 0.000 0.485 71 H N -0.775 118.446 119.070 0.251 0.000 1.855 71 H HA 0.099 4.655 4.556 -0.000 0.000 0.178 71 H C 0.055 175.596 175.328 0.355 0.000 0.923 71 H CA 0.165 56.351 56.048 0.230 0.000 0.993 71 H CB 0.125 29.917 29.762 0.050 0.000 1.078 71 H HN 0.450 nan 8.280 nan 0.000 0.349 72 S N 0.864 116.594 115.700 0.050 0.000 2.560 72 S HA 0.067 4.537 4.470 -0.000 0.000 0.284 72 S C 1.497 176.120 174.600 0.037 0.000 1.327 72 S CA 0.076 58.267 58.200 -0.014 0.000 1.055 72 S CB 0.712 63.899 63.200 -0.022 0.000 0.868 72 S HN 0.556 nan 8.310 nan 0.000 0.506 73 R N 1.939 122.459 120.500 0.033 0.000 2.055 73 R HA -0.068 4.272 4.340 -0.000 0.000 0.228 73 R C 2.242 178.404 176.300 -0.230 0.000 1.143 73 R CA 2.186 58.170 56.100 -0.193 0.000 0.945 73 R CB -0.870 29.468 30.300 0.064 0.000 0.841 73 R HN 0.863 nan 8.270 nan 0.000 0.429 74 T N -2.020 112.470 114.554 -0.107 0.000 3.010 74 T HA 0.199 4.549 4.350 -0.000 0.000 0.252 74 T C 1.221 175.880 174.700 -0.069 0.000 1.047 74 T CA 0.404 62.458 62.100 -0.076 0.000 1.140 74 T CB -0.424 68.424 68.868 -0.033 0.000 0.885 74 T HN 0.326 nan 8.240 nan 0.000 0.464 75 R N 0.726 121.191 120.500 -0.059 0.000 2.537 75 R HA 0.471 4.811 4.340 -0.000 0.000 0.280 75 R C 0.026 176.300 176.300 -0.043 0.000 1.058 75 R CA -0.498 55.579 56.100 -0.039 0.000 1.057 75 R CB -0.990 29.285 30.300 -0.042 0.000 0.973 75 R HN 0.581 nan 8.270 nan 0.000 0.438 76 Y N 1.827 122.055 120.300 -0.119 0.000 2.219 76 Y HA 0.520 5.070 4.550 -0.000 0.000 0.375 76 Y C 0.475 176.311 175.900 -0.106 0.000 1.333 76 Y CA -0.403 57.615 58.100 -0.138 0.000 1.799 76 Y CB 0.764 39.153 38.460 -0.118 0.000 1.611 76 Y HN 0.968 nan 8.280 nan 0.000 0.635 77 R N -0.021 119.969 120.500 -0.851 0.000 2.858 77 R HA 0.294 4.634 4.340 -0.000 0.000 0.252 77 R C -0.765 175.348 176.300 -0.312 0.000 1.063 77 R CA -0.183 55.507 56.100 -0.683 0.000 0.955 77 R CB -0.183 29.895 30.300 -0.371 0.000 1.259 77 R HN 0.806 nan 8.270 nan 0.000 0.477 78 N N -0.152 118.424 118.700 -0.207 0.000 2.972 78 N HA -0.236 4.504 4.740 -0.000 0.000 0.225 78 N C 0.247 175.684 175.510 -0.121 0.000 0.883 78 N CA 1.399 54.384 53.050 -0.108 0.000 1.010 78 N CB -0.888 37.553 38.487 -0.077 0.000 1.052 78 N HN 0.605 nan 8.380 nan 0.000 0.598 79 I N 0.938 121.384 120.570 -0.207 0.000 3.136 79 I HA 0.007 4.177 4.170 -0.000 0.000 0.262 79 I C 1.094 177.113 176.117 -0.163 0.000 1.132 79 I CA 0.193 61.347 61.300 -0.244 0.000 1.450 79 I CB 0.309 38.055 38.000 -0.424 0.000 1.315 79 I HN 0.185 nan 8.210 nan 0.000 0.460 80 E N 2.272 122.361 120.200 -0.184 0.000 2.283 80 E HA 0.340 4.690 4.350 -0.000 0.000 0.267 80 E C -0.970 175.615 176.600 -0.025 0.000 1.045 80 E CA -0.710 55.636 56.400 -0.089 0.000 0.884 80 E CB 1.200 30.834 29.700 -0.111 0.000 1.106 80 E HN -0.114 nan 8.360 nan 0.000 0.408 81 K N 2.747 123.165 120.400 0.029 0.000 2.507 81 K HA 0.394 4.714 4.320 -0.000 0.000 0.252 81 K C -0.587 176.042 176.600 0.049 0.000 0.943 81 K CA -0.565 55.755 56.287 0.055 0.000 0.808 81 K CB 1.609 34.141 32.500 0.053 0.000 1.142 81 K HN 0.572 nan 8.250 nan 0.000 0.426 82 I N 2.514 123.115 120.570 0.052 0.000 2.371 82 I HA 0.176 4.346 4.170 -0.000 0.000 0.290 82 I C 0.321 176.446 176.117 0.013 0.000 1.028 82 I CA -0.222 61.087 61.300 0.014 0.000 1.345 82 I CB 0.822 38.815 38.000 -0.011 0.000 1.407 82 I HN 0.502 nan 8.210 nan 0.000 0.501 83 S N 6.718 122.426 115.700 0.013 0.000 2.599 83 S HA 0.749 5.219 4.470 -0.000 0.000 0.294 83 S C -0.552 174.049 174.600 0.001 0.000 1.094 83 S CA -1.112 57.092 58.200 0.006 0.000 0.931 83 S CB 2.623 65.829 63.200 0.009 0.000 1.093 83 S HN 0.489 nan 8.310 nan 0.000 0.488 84 M N 1.835 121.427 119.600 -0.014 0.000 2.436 84 M HA 0.457 4.937 4.480 -0.000 0.000 0.331 84 M C -1.084 175.191 176.300 -0.042 0.000 1.135 84 M CA -0.576 54.710 55.300 -0.023 0.000 0.987 84 M CB 1.298 33.882 32.600 -0.027 0.000 1.687 84 M HN 0.484 nan 8.290 nan 0.000 0.445 85 L N 1.711 122.906 121.223 -0.047 0.000 2.350 85 L HA 0.201 4.541 4.340 -0.000 0.000 0.275 85 L C 1.178 177.992 176.870 -0.094 0.000 1.099 85 L CA 0.091 54.887 54.840 -0.073 0.000 0.808 85 L CB 1.168 43.190 42.059 -0.061 0.000 1.149 85 L HN 0.843 nan 8.230 nan 0.000 0.442 86 E N 1.489 121.610 120.200 -0.132 0.000 2.075 86 E HA 0.087 4.437 4.350 -0.000 0.000 0.190 86 E C -0.048 176.458 176.600 -0.157 0.000 0.969 86 E CA 0.740 57.059 56.400 -0.134 0.000 0.815 86 E CB 0.639 30.244 29.700 -0.159 0.000 0.776 86 E HN 0.272 nan 8.360 nan 0.000 0.457 87 K N -0.149 120.113 120.400 -0.230 0.000 2.610 87 K HA 0.351 4.671 4.320 -0.000 0.000 0.278 87 K C -1.730 174.600 176.600 -0.450 0.000 0.964 87 K CA -0.549 55.512 56.287 -0.377 0.000 0.859 87 K CB 1.499 33.662 32.500 -0.561 0.000 1.434 87 K HN -0.017 nan 8.250 nan 0.000 0.410 88 I N 2.487 122.766 120.570 -0.484 0.000 2.433 88 I HA 0.401 4.571 4.170 -0.000 0.000 0.292 88 I C -1.120 174.722 176.117 -0.458 0.000 1.001 88 I CA -0.755 60.354 61.300 -0.318 0.000 1.119 88 I CB 1.228 39.154 38.000 -0.123 0.000 1.289 88 I HN 0.379 nan 8.210 nan 0.000 0.438 89 Y N 6.122 126.471 120.300 0.083 0.000 2.326 89 Y HA 0.586 5.136 4.550 -0.000 0.000 0.329 89 Y C -0.208 175.865 175.900 0.288 0.000 0.973 89 Y CA -0.781 57.397 58.100 0.130 0.000 1.162 89 Y CB 1.173 39.669 38.460 0.061 0.000 1.147 89 Y HN 0.251 nan 8.280 nan 0.000 0.456 90 I N 3.262 124.042 120.570 0.349 0.000 2.392 90 I HA 0.163 4.333 4.170 -0.000 0.000 0.295 90 I C 0.281 176.491 176.117 0.155 0.000 0.985 90 I CA -0.981 60.450 61.300 0.220 0.000 1.221 90 I CB 1.101 39.184 38.000 0.138 0.000 1.366 90 I HN 0.660 nan 8.210 nan 0.000 0.467 91 H N 8.664 127.563 119.070 -0.286 0.000 3.157 91 H HA 0.010 4.566 4.556 -0.000 0.000 0.299 91 H C -1.706 173.522 175.328 -0.167 0.000 0.961 91 H CA -1.048 54.594 56.048 -0.676 0.000 1.428 91 H CB 1.117 30.381 29.762 -0.830 0.000 1.459 91 H HN 0.336 nan 8.280 nan 0.000 0.566 92 P HA -0.155 nan 4.420 nan 0.000 0.217 92 P C 0.257 177.704 177.300 0.246 0.000 1.148 92 P CA 1.577 64.737 63.100 0.100 0.000 0.828 92 P CB 0.163 31.879 31.700 0.027 0.000 0.783 93 R N -1.675 119.132 120.500 0.512 0.000 2.791 93 R HA 0.186 4.525 4.340 -0.000 0.000 0.357 93 R C 0.064 176.389 176.300 0.041 0.000 1.173 93 R CA -0.669 55.546 56.100 0.193 0.000 1.060 93 R CB -0.575 29.806 30.300 0.134 0.000 1.406 93 R HN 0.155 nan 8.270 nan 0.000 0.580 94 Y N 1.794 122.098 120.300 0.008 0.000 2.425 94 Y HA 0.111 4.661 4.550 -0.000 0.000 0.331 94 Y C -0.080 175.814 175.900 -0.010 0.000 1.157 94 Y CA -0.942 57.140 58.100 -0.029 0.000 1.372 94 Y CB 0.555 39.063 38.460 0.079 0.000 1.253 94 Y HN -0.031 nan 8.280 nan 0.000 0.536 95 N N 7.735 126.248 118.700 -0.313 0.000 2.976 95 N HA 0.075 4.815 4.740 -0.000 0.000 0.255 95 N C -0.508 174.632 175.510 -0.617 0.000 1.312 95 N CA -0.751 51.999 53.050 -0.500 0.000 0.897 95 N CB -0.215 38.094 38.487 -0.297 0.000 1.184 95 N HN 0.788 nan 8.380 nan 0.000 0.497 96 W N 2.921 123.699 121.300 -0.871 0.000 2.888 96 W HA 0.181 4.841 4.660 -0.000 0.000 0.412 96 W C 0.857 177.179 176.519 -0.328 0.000 0.916 96 W CA -0.496 56.489 57.345 -0.600 0.000 2.070 96 W CB -0.643 28.496 29.460 -0.536 0.000 0.838 96 W HN 0.482 nan 8.180 nan 0.000 0.717 97 E N 3.111 123.052 120.200 -0.430 0.000 2.170 97 E HA -0.342 4.008 4.350 -0.000 0.000 0.229 97 E C 0.829 177.225 176.600 -0.340 0.000 1.074 97 E CA 3.047 59.252 56.400 -0.326 0.000 0.930 97 E CB -0.188 29.340 29.700 -0.286 0.000 0.806 97 E HN 0.465 nan 8.360 nan 0.000 0.478 98 N N -0.714 117.781 118.700 -0.341 0.000 2.238 98 N HA 0.121 4.861 4.740 -0.000 0.000 0.235 98 N C 0.273 175.555 175.510 -0.379 0.000 1.209 98 N CA -0.047 52.741 53.050 -0.437 0.000 0.879 98 N CB 0.305 38.595 38.487 -0.328 0.000 1.136 98 N HN 0.290 nan 8.380 nan 0.000 0.517 99 L N -0.086 120.988 121.223 -0.249 0.000 3.717 99 L HA -0.219 4.121 4.340 -0.000 0.000 0.414 99 L C -0.739 176.223 176.870 0.153 0.000 1.228 99 L CA 0.488 55.332 54.840 0.007 0.000 0.918 99 L CB -0.999 41.097 42.059 0.062 0.000 1.865 99 L HN 0.298 nan 8.230 nan 0.000 0.922 100 D N 1.202 121.608 120.400 0.009 0.000 2.383 100 D HA 0.251 4.891 4.640 -0.000 0.000 0.252 100 D C 0.932 177.279 176.300 0.077 0.000 1.166 100 D CA 0.346 54.367 54.000 0.035 0.000 0.879 100 D CB 0.435 41.197 40.800 -0.062 0.000 1.164 100 D HN 0.232 nan 8.370 nan 0.000 0.462 101 R N 2.193 122.728 120.500 0.059 0.000 3.515 101 R HA -0.183 4.157 4.340 -0.000 0.000 0.292 101 R C -0.738 175.601 176.300 0.065 0.000 1.148 101 R CA 0.420 56.468 56.100 -0.086 0.000 0.786 101 R CB -1.591 28.412 30.300 -0.494 0.000 1.327 101 R HN 0.431 nan 8.270 nan 0.000 0.454 102 D N 1.317 121.827 120.400 0.184 0.000 2.540 102 D HA 0.208 4.848 4.640 -0.000 0.000 0.237 102 D C -0.151 176.126 176.300 -0.038 0.000 1.181 102 D CA 0.567 54.602 54.000 0.059 0.000 1.119 102 D CB 0.095 41.070 40.800 0.291 0.000 1.119 102 D HN 0.344 nan 8.370 nan 0.000 0.498 103 I N 0.930 121.429 120.570 -0.119 0.000 2.894 103 I HA 0.705 4.875 4.170 -0.000 0.000 0.302 103 I C -1.662 174.479 176.117 0.041 0.000 1.188 103 I CA -0.739 60.574 61.300 0.020 0.000 1.014 103 I CB 1.779 39.830 38.000 0.085 0.000 1.242 103 I HN 0.247 nan 8.210 nan 0.000 0.430 104 A N 6.899 129.869 122.820 0.250 0.000 2.555 104 A HA 0.633 4.953 4.320 -0.000 0.000 0.297 104 A C -2.074 175.746 177.584 0.393 0.000 1.060 104 A CA -0.437 51.812 52.037 0.354 0.000 0.710 104 A CB 1.224 20.304 19.000 0.133 0.000 1.282 104 A HN 0.596 nan 8.150 nan 0.000 0.399 105 L N 2.140 123.649 121.223 0.476 0.000 2.295 105 L HA 0.649 4.989 4.340 -0.000 0.000 0.285 105 L C -0.212 176.921 176.870 0.439 0.000 1.035 105 L CA -0.183 54.907 54.840 0.417 0.000 0.806 105 L CB 1.624 43.839 42.059 0.259 0.000 1.214 105 L HN 0.787 nan 8.230 nan 0.000 0.426 106 M N 3.931 123.749 119.600 0.363 0.000 2.243 106 M HA 0.399 4.879 4.480 -0.000 0.000 0.324 106 M C -0.635 175.741 176.300 0.127 0.000 1.031 106 M CA -0.365 55.048 55.300 0.189 0.000 0.949 106 M CB 2.098 34.766 32.600 0.113 0.000 1.615 106 M HN 0.338 nan 8.290 nan 0.000 0.430 107 K N 3.420 123.764 120.400 -0.093 0.000 2.185 107 K HA 0.573 4.893 4.320 -0.000 0.000 0.269 107 K C -1.150 175.276 176.600 -0.289 0.000 0.987 107 K CA -0.505 55.514 56.287 -0.447 0.000 0.865 107 K CB 1.120 33.181 32.500 -0.732 0.000 1.090 107 K HN 0.686 nan 8.250 nan 0.000 0.450 108 L N 3.907 124.954 121.223 -0.294 0.000 2.397 108 L HA 0.107 4.447 4.340 -0.000 0.000 0.271 108 L C 1.411 178.185 176.870 -0.160 0.000 1.148 108 L CA -0.149 54.594 54.840 -0.162 0.000 0.825 108 L CB 0.810 42.806 42.059 -0.105 0.000 1.117 108 L HN 0.661 nan 8.230 nan 0.000 0.456 109 K N 2.016 122.354 120.400 -0.103 0.000 2.147 109 K HA -0.109 4.211 4.320 -0.000 0.000 0.205 109 K C 0.070 176.623 176.600 -0.079 0.000 1.049 109 K CA 1.330 57.565 56.287 -0.085 0.000 0.936 109 K CB 0.201 32.666 32.500 -0.060 0.000 0.722 109 K HN 0.633 nan 8.250 nan 0.000 0.446 110 K N -0.909 119.447 120.400 -0.073 0.000 2.532 110 K HA 0.408 4.728 4.320 -0.000 0.000 0.265 110 K C -2.920 173.638 176.600 -0.069 0.000 0.948 110 K CA -2.135 54.113 56.287 -0.065 0.000 0.842 110 K CB 1.762 34.233 32.500 -0.048 0.000 1.392 110 K HN -0.327 nan 8.250 nan 0.000 0.436 111 P HA -0.066 nan 4.420 nan 0.000 0.265 111 P C -0.642 176.594 177.300 -0.106 0.000 1.193 111 P CA -0.489 62.553 63.100 -0.096 0.000 0.765 111 P CB 0.864 32.498 31.700 -0.110 0.000 0.823 112 V N 3.002 122.844 119.914 -0.119 0.000 2.407 112 V HA 0.540 4.660 4.120 -0.000 0.000 0.278 112 V C -0.005 175.917 176.094 -0.286 0.000 1.037 112 V CA -0.778 61.468 62.300 -0.091 0.000 0.900 112 V CB 0.822 32.675 31.823 0.050 0.000 0.983 112 V HN 0.723 nan 8.190 nan 0.000 0.459 113 A N 7.361 130.085 122.820 -0.160 0.000 2.354 113 A HA 0.601 4.921 4.320 -0.000 0.000 0.281 113 A C -0.378 177.229 177.584 0.037 0.000 1.174 113 A CA -0.286 51.652 52.037 -0.166 0.000 0.828 113 A CB -0.254 18.711 19.000 -0.059 0.000 1.099 113 A HN 0.690 nan 8.150 nan 0.000 0.516 114 F N 2.151 122.144 119.950 0.071 0.000 2.471 114 F HA 0.431 4.958 4.527 0.000 0.000 0.353 114 F C 1.283 177.131 175.800 0.079 0.000 1.113 114 F CA -0.010 58.049 58.000 0.098 0.000 1.262 114 F CB 0.662 39.745 39.000 0.140 0.000 1.146 114 F HN 0.685 nan 8.300 nan 0.000 0.578 115 S N 0.113 115.973 115.700 0.267 0.000 2.840 115 S HA 0.370 4.840 4.470 -0.000 0.000 0.307 115 S C 0.173 174.757 174.600 -0.026 0.000 1.180 115 S CA -0.866 57.411 58.200 0.129 0.000 0.846 115 S CB 1.491 64.800 63.200 0.181 0.000 1.233 115 S HN 0.491 nan 8.310 nan 0.000 0.548 116 D N -0.117 120.142 120.400 -0.236 0.000 2.350 116 D HA -0.030 4.610 4.640 -0.000 0.000 0.216 116 D C 0.551 176.391 176.300 -0.767 0.000 0.968 116 D CA 1.356 55.029 54.000 -0.546 0.000 0.894 116 D CB -0.200 40.158 40.800 -0.737 0.000 0.909 116 D HN 0.603 nan 8.370 nan 0.000 0.520 117 Y N -0.211 120.063 120.300 -0.043 0.000 2.462 117 Y HA 0.304 4.854 4.550 -0.000 0.000 0.253 117 Y C 0.988 176.859 175.900 -0.048 0.000 1.095 117 Y CA -0.252 57.808 58.100 -0.067 0.000 1.283 117 Y CB 0.789 39.222 38.460 -0.045 0.000 1.138 117 Y HN -0.206 nan 8.280 nan 0.000 0.522 118 I N 0.677 121.323 120.570 0.126 0.000 2.390 118 I HA 0.321 4.491 4.170 -0.000 0.000 0.283 118 I C -1.108 175.079 176.117 0.117 0.000 1.016 118 I CA -0.251 61.145 61.300 0.161 0.000 1.151 118 I CB 0.898 39.068 38.000 0.283 0.000 1.293 118 I HN 0.040 nan 8.210 nan 0.000 0.458 119 H N 6.879 125.848 119.070 -0.169 0.000 3.087 119 H HA 0.462 5.018 4.556 -0.000 0.000 0.348 119 H C -2.901 172.351 175.328 -0.127 0.000 1.092 119 H CA -1.492 54.352 56.048 -0.341 0.000 1.285 119 H CB 2.756 32.401 29.762 -0.194 0.000 1.875 119 H HN 0.174 nan 8.280 nan 0.000 0.512 120 P HA 0.124 nan 4.420 nan 0.000 0.277 120 P C -0.517 176.763 177.300 -0.034 0.000 1.240 120 P CA -0.349 62.628 63.100 -0.205 0.000 0.798 120 P CB 1.383 32.886 31.700 -0.328 0.000 0.979 121 V N 2.353 122.237 119.914 -0.049 0.000 3.262 121 V HA 0.339 4.459 4.120 -0.000 0.000 0.313 121 V C -0.198 175.711 176.094 -0.308 0.000 1.070 121 V CA -0.384 61.657 62.300 -0.431 0.000 1.049 121 V CB 1.221 32.502 31.823 -0.903 0.000 1.157 121 V HN 0.679 nan 8.190 nan 0.000 0.454 122 C N 3.022 122.074 119.300 -0.412 0.000 2.335 122 C HA 0.591 5.051 4.460 -0.000 0.000 0.363 122 C C 0.078 174.987 174.990 -0.136 0.000 1.198 122 C CA -0.950 57.855 59.018 -0.355 0.000 2.279 122 C CB 0.499 27.789 27.740 -0.750 0.000 2.334 122 C HN 0.750 nan 8.230 nan 0.000 0.559 123 L N 2.543 123.778 121.223 0.020 0.000 2.343 123 L HA 0.436 4.776 4.340 -0.000 0.000 0.275 123 L C -2.113 174.983 176.870 0.377 0.000 1.056 123 L CA -1.415 53.533 54.840 0.179 0.000 0.804 123 L CB 1.205 43.343 42.059 0.133 0.000 1.203 123 L HN 0.399 nan 8.230 nan 0.000 0.440 124 P HA 0.136 nan 4.420 nan 0.000 0.278 124 P C -1.506 175.857 177.300 0.105 0.000 1.238 124 P CA -0.436 62.765 63.100 0.168 0.000 0.794 124 P CB 0.696 32.415 31.700 0.033 0.000 0.955 125 D N 1.316 121.624 120.400 -0.154 0.000 2.440 125 D HA 0.178 4.818 4.640 -0.000 0.000 0.258 125 D C 1.018 176.899 176.300 -0.698 0.000 1.092 125 D CA -0.791 53.096 54.000 -0.188 0.000 1.016 125 D CB 1.417 42.179 40.800 -0.064 0.000 1.141 125 D HN 0.208 nan 8.370 nan 0.000 0.552 126 R N -0.169 120.007 120.500 -0.540 0.000 2.094 126 R HA -0.233 4.107 4.340 -0.000 0.000 0.239 126 R C 1.749 177.791 176.300 -0.431 0.000 1.137 126 R CA 2.010 57.769 56.100 -0.568 0.000 0.943 126 R CB -0.260 29.982 30.300 -0.097 0.000 0.850 126 R HN 0.518 nan 8.270 nan 0.000 0.433 127 E N 0.274 120.306 120.200 -0.280 0.000 2.072 127 E HA -0.053 4.297 4.350 -0.000 0.000 0.191 127 E C -0.161 176.277 176.600 -0.269 0.000 0.985 127 E CA 1.080 57.349 56.400 -0.219 0.000 0.801 127 E CB -0.242 29.371 29.700 -0.145 0.000 0.750 127 E HN 0.135 nan 8.360 nan 0.000 0.452 128 T N 2.186 116.530 114.554 -0.350 0.000 2.784 128 T HA 0.194 4.544 4.350 -0.000 0.000 0.291 128 T C 0.831 175.291 174.700 -0.399 0.000 0.942 128 T CA 0.561 62.410 62.100 -0.417 0.000 1.161 128 T CB 0.445 68.910 68.868 -0.671 0.000 0.885 128 T HN 0.295 nan 8.240 nan 0.000 0.534 129 L N 1.594 122.763 121.223 -0.091 0.000 2.143 129 L HA -0.140 4.200 4.340 -0.000 0.000 0.481 129 L C 0.469 177.322 176.870 -0.027 0.000 0.721 129 L CA 0.475 55.319 54.840 0.006 0.000 3.051 129 L CB -0.858 41.143 42.059 -0.097 0.000 0.790 129 L HN 0.544 nan 8.230 nan 0.000 0.723 130 L N 2.803 123.936 121.223 -0.151 0.000 2.395 130 L HA 0.201 4.541 4.340 -0.000 0.000 0.268 130 L C 0.093 176.823 176.870 -0.234 0.000 1.223 130 L CA 0.711 55.419 54.840 -0.221 0.000 1.093 130 L CB 0.250 42.164 42.059 -0.242 0.000 1.349 130 L HN 0.229 nan 8.230 nan 0.000 0.427 131 Q N 1.915 121.541 119.800 -0.289 0.000 2.353 131 Q HA 0.469 4.809 4.340 -0.000 0.000 0.275 131 Q C -0.700 175.091 176.000 -0.347 0.000 1.029 131 Q CA -0.821 54.733 55.803 -0.413 0.000 0.848 131 Q CB 2.523 30.800 28.738 -0.769 0.000 1.390 131 Q HN 0.569 nan 8.270 nan 0.000 0.401 132 A N 0.478 123.147 122.820 -0.252 0.000 2.531 132 A HA 0.485 4.805 4.320 -0.000 0.000 0.236 132 A C 1.230 178.768 177.584 -0.076 0.000 1.062 132 A CA 1.360 53.313 52.037 -0.141 0.000 0.760 132 A CB -0.455 18.472 19.000 -0.123 0.000 0.995 132 A HN 1.149 nan 8.150 nan 0.000 0.501 133 G N 0.073 108.882 108.800 0.015 0.000 2.299 133 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.237 133 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.237 133 G C 0.108 175.143 174.900 0.225 0.000 1.027 133 G CA 0.400 45.563 45.100 0.106 0.000 0.619 133 G HN 0.818 nan 8.290 nan 0.000 0.513 134 Y N 2.760 123.027 120.300 -0.056 0.000 2.569 134 Y HA 0.429 4.979 4.550 -0.001 0.000 0.332 134 Y C 1.256 177.134 175.900 -0.038 0.000 1.120 134 Y CA -0.445 57.621 58.100 -0.057 0.000 1.416 134 Y CB 0.481 38.894 38.460 -0.079 0.000 1.210 134 Y HN 0.124 nan 8.280 nan 0.000 0.528 135 K N 2.882 123.298 120.400 0.027 0.000 2.297 135 K HA 0.438 4.758 4.320 -0.000 0.000 0.286 135 K C 0.580 177.136 176.600 -0.075 0.000 1.053 135 K CA -0.287 55.997 56.287 -0.005 0.000 0.940 135 K CB 0.950 33.436 32.500 -0.022 0.000 1.019 135 K HN 0.854 nan 8.250 nan 0.000 0.475 136 G N 1.835 110.550 108.800 -0.142 0.000 2.552 136 G HA2 0.443 4.402 3.960 -0.000 0.000 0.318 136 G HA3 0.443 4.402 3.960 -0.000 0.000 0.318 136 G C -1.048 173.520 174.900 -0.553 0.000 1.240 136 G CA -0.617 44.064 45.100 -0.698 0.000 1.002 136 G HN 0.591 nan 8.290 nan 0.000 0.493 137 R N -0.638 119.515 120.500 -0.578 0.000 2.561 137 R HA 0.573 4.913 4.340 -0.000 0.000 0.297 137 R C -1.651 174.539 176.300 -0.183 0.000 0.969 137 R CA -0.482 55.493 56.100 -0.207 0.000 0.879 137 R CB 2.029 32.337 30.300 0.014 0.000 1.178 137 R HN 0.324 nan 8.270 nan 0.000 0.445 138 V N 2.920 122.831 119.914 -0.005 0.000 2.513 138 V HA 0.549 4.669 4.120 -0.000 0.000 0.299 138 V C -0.234 175.904 176.094 0.073 0.000 1.035 138 V CA -0.683 61.687 62.300 0.116 0.000 0.889 138 V CB 1.786 33.772 31.823 0.272 0.000 0.988 138 V HN 0.965 nan 8.190 nan 0.000 0.440 139 T N 0.820 115.412 114.554 0.064 0.000 2.900 139 T HA 0.944 5.294 4.350 -0.000 0.000 0.295 139 T C -0.026 174.657 174.700 -0.028 0.000 1.044 139 T CA -0.438 61.645 62.100 -0.029 0.000 0.995 139 T CB 2.081 70.883 68.868 -0.110 0.000 1.072 139 T HN 1.358 nan 8.240 nan 0.000 0.473 140 G N -0.124 108.593 108.800 -0.138 0.000 2.356 140 G HA2 0.425 4.385 3.960 -0.000 0.000 0.294 140 G HA3 0.425 4.385 3.960 -0.000 0.000 0.294 140 G C -1.429 173.410 174.900 -0.101 0.000 1.423 140 G CA -0.915 44.157 45.100 -0.047 0.000 0.806 140 G HN 0.697 nan 8.290 nan 0.000 0.527 141 W N 1.099 122.429 121.300 0.051 0.000 2.926 141 W HA 0.403 5.063 4.660 0.000 0.000 0.419 141 W C 0.977 177.519 176.519 0.038 0.000 0.993 141 W CA -0.327 57.035 57.345 0.028 0.000 2.025 141 W CB 1.049 30.518 29.460 0.014 0.000 1.152 141 W HN 0.799 nan 8.180 nan 0.000 0.659 142 G N 1.382 110.323 108.800 0.235 0.000 2.653 142 G HA2 0.013 3.973 3.960 -0.000 0.000 0.265 142 G HA3 0.013 3.973 3.960 -0.000 0.000 0.265 142 G C 0.206 175.185 174.900 0.132 0.000 1.237 142 G CA -0.481 44.721 45.100 0.171 0.000 0.946 142 G HN -0.086 nan 8.290 nan 0.000 0.522 143 N N -0.379 118.390 118.700 0.117 0.000 2.412 143 N HA -0.010 4.730 4.740 -0.000 0.000 0.254 143 N C 1.659 177.252 175.510 0.138 0.000 1.232 143 N CA -0.101 53.016 53.050 0.112 0.000 0.880 143 N CB 1.086 39.647 38.487 0.124 0.000 1.076 143 N HN 0.365 nan 8.380 nan 0.000 0.458 144 L N 0.804 122.123 121.223 0.159 0.000 2.093 144 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 144 L C 0.941 177.949 176.870 0.230 0.000 1.085 144 L CA 1.266 56.227 54.840 0.201 0.000 0.755 144 L CB -0.176 42.026 42.059 0.238 0.000 0.904 144 L HN 0.334 nan 8.230 nan 0.000 0.435 145 K N -0.721 119.857 120.400 0.297 0.000 2.443 145 K HA 0.169 4.489 4.320 -0.000 0.000 0.251 145 K C 0.470 177.180 176.600 0.183 0.000 0.972 145 K CA -0.493 55.926 56.287 0.219 0.000 0.833 145 K CB 2.450 35.074 32.500 0.207 0.000 1.317 145 K HN -0.173 nan 8.250 nan 0.000 0.441 146 E N 0.791 121.062 120.200 0.118 0.000 2.023 146 E HA -0.150 4.200 4.350 -0.000 0.000 0.196 146 E C 0.282 176.952 176.600 0.116 0.000 1.003 146 E CA 1.628 58.088 56.400 0.100 0.000 0.809 146 E CB 0.222 29.962 29.700 0.068 0.000 0.755 146 E HN 0.628 nan 8.360 nan 0.000 0.449 147 T N -2.636 111.985 114.554 0.111 0.000 2.907 147 T HA 0.409 4.759 4.350 -0.000 0.000 0.292 147 T C -1.290 173.519 174.700 0.182 0.000 1.043 147 T CA -0.944 61.237 62.100 0.135 0.000 1.003 147 T CB 1.404 70.325 68.868 0.088 0.000 1.084 147 T HN 0.299 nan 8.240 nan 0.000 0.483 148 W N 1.616 122.931 121.300 0.026 0.000 2.762 148 W HA 0.607 5.267 4.660 -0.000 0.000 0.355 148 W C 1.066 177.597 176.519 0.021 0.000 1.124 148 W CA 0.513 57.873 57.345 0.025 0.000 1.141 148 W CB 1.615 31.092 29.460 0.029 0.000 1.432 148 W HN 1.254 nan 8.180 nan 0.000 0.586 149 A N 0.803 123.596 122.820 -0.044 0.000 1.691 149 A HA -0.293 4.027 4.320 -0.000 0.000 0.227 149 A C 1.837 179.612 177.584 0.318 0.000 0.423 149 A CA 2.699 54.729 52.037 -0.013 0.000 1.102 149 A CB -2.671 16.150 19.000 -0.298 0.000 1.455 149 A HN 2.297 nan 8.150 nan 0.000 0.714 150 G N -1.911 106.921 108.800 0.054 0.000 2.438 150 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.333 150 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.333 150 G C 0.774 175.628 174.900 -0.076 0.000 0.922 150 G CA 2.290 47.386 45.100 -0.006 0.000 0.763 150 G HN 1.195 nan 8.290 nan 0.000 0.511 151 Q N -1.638 118.117 119.800 -0.075 0.000 2.485 151 Q HA 0.137 4.477 4.340 -0.000 0.000 0.228 151 Q C -2.076 173.864 176.000 -0.101 0.000 0.763 151 Q CA 0.589 56.285 55.803 -0.180 0.000 0.959 151 Q CB 0.419 29.042 28.738 -0.192 0.000 1.314 151 Q HN 0.503 nan 8.270 nan 0.000 0.508 152 P HA 0.241 nan 4.420 nan 0.000 0.281 152 P C 0.482 177.805 177.300 0.037 0.000 1.249 152 P CA 0.110 63.226 63.100 0.027 0.000 0.810 152 P CB 1.647 33.389 31.700 0.070 0.000 1.008 153 S N 0.767 116.477 115.700 0.017 0.000 2.362 153 S HA 0.059 4.529 4.470 -0.000 0.000 0.221 153 S C 0.866 175.472 174.600 0.011 0.000 1.032 153 S CA 0.927 59.132 58.200 0.007 0.000 0.973 153 S CB -0.264 62.934 63.200 -0.004 0.000 0.849 153 S HN 0.481 nan 8.310 nan 0.000 0.465 154 V N -0.680 119.218 119.914 -0.026 0.000 3.102 154 V HA 0.667 4.787 4.120 -0.000 0.000 0.312 154 V C -0.411 175.562 176.094 -0.203 0.000 1.135 154 V CA -1.519 60.690 62.300 -0.152 0.000 1.022 154 V CB 1.144 32.732 31.823 -0.392 0.000 1.056 154 V HN 0.202 nan 8.190 nan 0.000 0.436 155 L N 2.866 123.807 121.223 -0.471 0.000 2.628 155 L HA 0.195 4.535 4.340 -0.000 0.000 0.292 155 L C 0.220 176.848 176.870 -0.405 0.000 1.250 155 L CA 1.240 55.546 54.840 -0.891 0.000 0.892 155 L CB -0.390 41.141 42.059 -0.880 0.000 1.138 155 L HN 0.895 nan 8.230 nan 0.000 0.502 156 Q N 3.546 123.133 119.800 -0.356 0.000 2.297 156 Q HA 0.646 4.986 4.340 -0.000 0.000 0.268 156 Q C -1.119 174.806 176.000 -0.125 0.000 1.045 156 Q CA -0.763 54.947 55.803 -0.155 0.000 0.861 156 Q CB 2.309 31.007 28.738 -0.067 0.000 1.344 156 Q HN 0.526 nan 8.270 nan 0.000 0.452 157 V N 0.670 120.553 119.914 -0.052 0.000 2.876 157 V HA 0.689 4.809 4.120 -0.000 0.000 0.312 157 V C -0.951 175.162 176.094 0.031 0.000 1.085 157 V CA -0.727 61.560 62.300 -0.021 0.000 0.945 157 V CB 2.473 34.277 31.823 -0.032 0.000 1.017 157 V HN 0.518 nan 8.190 nan 0.000 0.428 158 V N 4.192 124.139 119.914 0.054 0.000 2.852 158 V HA 0.545 4.665 4.120 -0.000 0.000 0.300 158 V C -1.527 174.624 176.094 0.095 0.000 1.205 158 V CA -0.628 61.730 62.300 0.097 0.000 0.940 158 V CB 2.634 34.532 31.823 0.125 0.000 1.047 158 V HN 0.940 nan 8.190 nan 0.000 0.429 159 N N 6.155 124.925 118.700 0.117 0.000 2.408 159 N HA 0.681 5.421 4.740 -0.000 0.000 0.280 159 N C -1.150 174.431 175.510 0.118 0.000 1.002 159 N CA -0.215 52.888 53.050 0.088 0.000 0.907 159 N CB 2.337 40.876 38.487 0.086 0.000 1.161 159 N HN 0.562 nan 8.380 nan 0.000 0.488 160 L N 2.759 124.013 121.223 0.052 0.000 2.386 160 L HA 0.498 4.838 4.340 -0.000 0.000 0.271 160 L C -2.387 174.466 176.870 -0.029 0.000 0.993 160 L CA -1.980 52.856 54.840 -0.007 0.000 0.819 160 L CB 2.982 45.141 42.059 0.166 0.000 1.294 160 L HN 0.238 nan 8.230 nan 0.000 0.414 161 P HA 0.186 nan 4.420 nan 0.000 0.276 161 P C -0.509 176.763 177.300 -0.046 0.000 1.235 161 P CA -0.092 62.918 63.100 -0.151 0.000 0.772 161 P CB 0.527 32.048 31.700 -0.298 0.000 0.871 162 I N 3.389 123.982 120.570 0.039 0.000 2.533 162 I HA 0.067 4.237 4.170 -0.000 0.000 0.284 162 I C 0.601 176.668 176.117 -0.082 0.000 1.109 162 I CA -0.120 61.185 61.300 0.009 0.000 1.412 162 I CB 0.543 38.537 38.000 -0.010 0.000 1.396 162 I HN 0.049 nan 8.210 nan 0.000 0.543 163 V N 5.650 125.478 119.914 -0.142 0.000 2.834 163 V HA 0.215 4.335 4.120 -0.000 0.000 0.313 163 V C -0.029 175.964 176.094 -0.168 0.000 1.060 163 V CA -0.986 61.177 62.300 -0.228 0.000 0.989 163 V CB 1.621 33.161 31.823 -0.472 0.000 1.041 163 V HN 0.636 nan 8.190 nan 0.000 0.459 164 E N 1.724 121.830 120.200 -0.156 0.000 2.392 164 E HA 0.237 4.587 4.350 -0.000 0.000 0.264 164 E C 0.964 177.521 176.600 -0.073 0.000 1.024 164 E CA -0.188 56.153 56.400 -0.099 0.000 0.903 164 E CB 0.400 30.054 29.700 -0.076 0.000 0.963 164 E HN 0.395 nan 8.360 nan 0.000 0.432 165 R N 2.771 123.255 120.500 -0.026 0.000 2.154 165 R HA -0.187 4.153 4.340 -0.000 0.000 0.236 165 R C -0.770 175.553 176.300 0.040 0.000 1.121 165 R CA 2.280 58.393 56.100 0.022 0.000 0.915 165 R CB -1.602 28.720 30.300 0.037 0.000 0.856 165 R HN 0.524 nan 8.270 nan 0.000 0.431 166 P HA -0.131 nan 4.420 nan 0.000 0.218 166 P C 1.488 178.818 177.300 0.050 0.000 1.146 166 P CA 1.245 64.369 63.100 0.042 0.000 0.820 166 P CB -0.095 31.619 31.700 0.023 0.000 0.778 167 V N -0.706 119.214 119.914 0.011 0.000 2.379 167 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 167 V C 2.721 178.855 176.094 0.066 0.000 1.044 167 V CA 1.836 64.136 62.300 0.001 0.000 1.036 167 V CB -1.348 30.398 31.823 -0.129 0.000 0.664 167 V HN 0.180 nan 8.190 nan 0.000 0.453 168 c N 0.229 118.850 118.600 0.035 0.000 2.432 168 c HA -0.144 4.426 4.570 -0.000 0.000 0.277 168 c C 2.702 176.999 174.090 0.344 0.000 1.249 168 c CA 0.932 57.357 56.329 0.159 0.000 1.725 168 c CB -1.011 41.502 42.510 0.004 0.000 2.028 168 c HN 0.545 nan 8.230 nan 0.000 0.477 169 K N 0.916 121.464 120.400 0.247 0.000 2.152 169 K HA -0.150 4.169 4.320 -0.000 0.000 0.206 169 K C 1.325 178.034 176.600 0.182 0.000 1.048 169 K CA 1.632 58.048 56.287 0.215 0.000 0.933 169 K CB -0.230 32.355 32.500 0.142 0.000 0.721 169 K HN 0.478 nan 8.250 nan 0.000 0.447 170 D N 0.103 120.605 120.400 0.169 0.000 2.162 170 D HA -0.095 4.545 4.640 -0.000 0.000 0.203 170 D C 1.884 178.290 176.300 0.176 0.000 0.967 170 D CA 0.780 54.867 54.000 0.146 0.000 0.840 170 D CB -0.340 40.532 40.800 0.120 0.000 0.972 170 D HN -0.021 nan 8.370 nan 0.000 0.482 171 S N -1.072 114.780 115.700 0.254 0.000 2.378 171 S HA -0.164 4.306 4.470 -0.000 0.000 0.229 171 S C 1.190 175.912 174.600 0.204 0.000 1.052 171 S CA 1.757 60.123 58.200 0.276 0.000 1.084 171 S CB -0.127 63.362 63.200 0.482 0.000 0.950 171 S HN 0.314 nan 8.310 nan 0.000 0.440 172 T N -1.131 113.560 114.554 0.227 0.000 2.887 172 T HA 0.486 4.836 4.350 -0.000 0.000 0.292 172 T C 0.242 175.005 174.700 0.106 0.000 1.087 172 T CA -0.827 61.377 62.100 0.173 0.000 1.009 172 T CB 1.623 70.638 68.868 0.244 0.000 1.203 172 T HN 0.143 nan 8.240 nan 0.000 0.518 173 R N 1.177 121.704 120.500 0.046 0.000 2.362 173 R HA 0.278 4.618 4.340 -0.000 0.000 0.227 173 R C -0.076 176.183 176.300 -0.069 0.000 0.905 173 R CA -0.066 56.029 56.100 -0.008 0.000 1.067 173 R CB -0.121 30.168 30.300 -0.019 0.000 1.078 173 R HN 0.554 nan 8.270 nan 0.000 0.516 174 I N 1.335 121.841 120.570 -0.108 0.000 2.532 174 I HA 0.158 4.328 4.170 -0.000 0.000 0.292 174 I C 0.829 176.861 176.117 -0.141 0.000 1.014 174 I CA -0.229 60.915 61.300 -0.260 0.000 1.340 174 I CB 1.002 38.590 38.000 -0.687 0.000 1.422 174 I HN -0.169 nan 8.210 nan 0.000 0.528 175 R N 5.683 126.084 120.500 -0.166 0.000 2.351 175 R HA 0.221 4.561 4.340 -0.000 0.000 0.321 175 R C -0.553 175.722 176.300 -0.042 0.000 1.182 175 R CA -0.569 55.481 56.100 -0.083 0.000 1.011 175 R CB -0.107 30.137 30.300 -0.094 0.000 1.048 175 R HN 0.390 nan 8.270 nan 0.000 0.490 176 I N 2.895 123.502 120.570 0.062 0.000 2.836 176 I HA 0.029 4.199 4.170 -0.000 0.000 0.285 176 I C 1.218 177.421 176.117 0.143 0.000 1.174 176 I CA 0.512 61.928 61.300 0.194 0.000 1.405 176 I CB 1.100 39.297 38.000 0.327 0.000 1.385 176 I HN 0.684 nan 8.210 nan 0.000 0.594 177 T N 0.087 114.748 114.554 0.178 0.000 2.804 177 T HA 0.362 4.712 4.350 -0.000 0.000 0.290 177 T C 0.553 175.322 174.700 0.115 0.000 1.099 177 T CA -0.650 61.513 62.100 0.105 0.000 1.011 177 T CB 1.447 70.349 68.868 0.057 0.000 1.291 177 T HN 0.421 nan 8.240 nan 0.000 0.523 178 D N 0.502 120.934 120.400 0.054 0.000 2.218 178 D HA -0.049 4.591 4.640 -0.000 0.000 0.204 178 D C 1.202 177.498 176.300 -0.007 0.000 0.976 178 D CA 0.926 54.929 54.000 0.005 0.000 0.853 178 D CB -0.116 40.664 40.800 -0.034 0.000 0.939 178 D HN 0.464 nan 8.370 nan 0.000 0.481 179 N N -0.001 118.737 118.700 0.065 0.000 2.370 179 N HA 0.060 4.800 4.740 -0.000 0.000 0.198 179 N C 0.320 175.990 175.510 0.266 0.000 1.156 179 N CA 0.246 53.377 53.050 0.135 0.000 0.839 179 N CB 0.487 39.016 38.487 0.069 0.000 0.989 179 N HN 0.332 nan 8.380 nan 0.000 0.468 180 M N -0.010 119.769 119.600 0.298 0.000 2.727 180 M HA 0.543 5.023 4.480 -0.000 0.000 0.300 180 M C -1.060 175.477 176.300 0.395 0.000 1.246 180 M CA -1.121 54.384 55.300 0.341 0.000 0.835 180 M CB 2.482 35.350 32.600 0.448 0.000 1.755 180 M HN -0.074 nan 8.290 nan 0.000 0.473 181 F N 0.142 120.180 119.950 0.146 0.000 2.665 181 F HA 0.757 5.284 4.527 0.000 0.000 0.308 181 F C -1.504 174.122 175.800 -0.290 0.000 1.112 181 F CA -1.552 56.428 58.000 -0.032 0.000 0.972 181 F CB 0.686 39.700 39.000 0.024 0.000 1.295 181 F HN 0.943 nan 8.300 nan 0.000 0.440 182 c N 2.815 121.230 118.600 -0.308 0.000 2.667 182 c HA 1.045 5.615 4.570 -0.000 0.000 0.323 182 c C -0.596 173.380 174.090 -0.190 0.000 1.214 182 c CA 0.204 56.175 56.329 -0.595 0.000 1.721 182 c CB 0.743 42.533 42.510 -1.200 0.000 2.275 182 c HN 1.768 nan 8.230 nan 0.000 0.491 183 A N 1.714 124.481 122.820 -0.088 0.000 2.515 183 A HA 0.721 5.041 4.320 -0.000 0.000 0.298 183 A C -1.443 176.207 177.584 0.110 0.000 1.059 183 A CA -0.537 51.497 52.037 -0.004 0.000 0.698 183 A CB 0.611 19.606 19.000 -0.009 0.000 1.289 183 A HN 0.942 nan 8.150 nan 0.000 0.404 184 Y N 1.370 121.798 120.300 0.214 0.000 2.511 184 Y HA 0.103 4.653 4.550 -0.001 0.000 0.332 184 Y C 1.498 177.553 175.900 0.258 0.000 1.177 184 Y CA 0.551 58.757 58.100 0.176 0.000 1.422 184 Y CB 0.828 39.362 38.460 0.124 0.000 1.271 184 Y HN 0.766 nan 8.280 nan 0.000 0.550 185 K N 2.040 122.646 120.400 0.344 0.000 2.504 185 K HA -0.066 4.254 4.320 -0.000 0.000 0.195 185 K C -0.112 176.635 176.600 0.244 0.000 1.036 185 K CA 0.389 56.872 56.287 0.326 0.000 0.984 185 K CB -0.036 32.590 32.500 0.210 0.000 0.788 185 K HN 0.537 nan 8.250 nan 0.000 0.488 186 K N 1.050 121.355 120.400 -0.159 0.000 7.247 186 K HA -0.245 4.075 4.320 -0.000 0.000 0.645 186 K C -0.409 176.065 176.600 -0.211 0.000 2.569 186 K CA 1.070 57.114 56.287 -0.405 0.000 1.924 186 K CB -0.125 31.739 32.500 -1.061 0.000 1.930 186 K HN 0.409 nan 8.250 nan 0.000 0.292 187 R N 0.969 121.420 120.500 -0.080 0.000 3.045 187 R HA 0.865 5.205 4.340 -0.000 0.000 0.245 187 R C 0.135 176.564 176.300 0.214 0.000 1.333 187 R CA -0.697 55.487 56.100 0.141 0.000 1.036 187 R CB 1.351 31.709 30.300 0.097 0.000 1.340 187 R HN 0.882 nan 8.270 nan 0.000 0.488 188 G N -0.257 108.666 108.800 0.204 0.000 2.362 188 G HA2 0.299 4.259 3.960 -0.000 0.000 0.656 188 G HA3 0.299 4.259 3.960 -0.000 0.000 0.656 188 G C -1.936 173.082 174.900 0.195 0.000 1.376 188 G CA -0.094 45.119 45.100 0.189 0.000 0.971 188 G HN 0.857 nan 8.290 nan 0.000 0.636 189 D N -1.218 119.283 120.400 0.170 0.000 2.808 189 D HA 0.698 5.338 4.640 -0.000 0.000 0.294 189 D C 0.088 176.485 176.300 0.162 0.000 1.278 189 D CA 0.647 54.748 54.000 0.170 0.000 0.756 189 D CB 0.934 41.814 40.800 0.133 0.000 1.271 189 D HN 1.542 nan 8.370 nan 0.000 0.425 190 A N 0.127 123.050 122.820 0.171 0.000 2.322 190 A HA 0.634 4.954 4.320 -0.000 0.000 0.269 190 A C 0.309 177.964 177.584 0.119 0.000 1.094 190 A CA -0.196 51.935 52.037 0.157 0.000 0.807 190 A CB 0.554 19.660 19.000 0.178 0.000 1.047 190 A HN 0.640 nan 8.150 nan 0.000 0.487 191 c N 0.064 118.737 118.600 0.121 0.000 3.292 191 c HA 0.649 5.218 4.570 -0.000 0.000 0.369 191 c C 0.362 174.522 174.090 0.116 0.000 2.360 191 c CA -0.411 55.984 56.329 0.111 0.000 1.526 191 c CB 1.002 43.582 42.510 0.117 0.000 2.784 191 c HN 0.997 nan 8.230 nan 0.000 0.490 192 E N -0.314 119.953 120.200 0.112 0.000 2.366 192 E HA 0.414 4.764 4.350 -0.000 0.000 0.266 192 E C 0.723 177.397 176.600 0.123 0.000 1.015 192 E CA 1.285 57.752 56.400 0.112 0.000 0.906 192 E CB 0.065 29.823 29.700 0.097 0.000 0.979 192 E HN 1.181 nan 8.360 nan 0.000 0.443 193 G N 4.316 113.198 108.800 0.136 0.000 2.179 193 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.220 193 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.220 193 G C 0.467 175.478 174.900 0.185 0.000 0.990 193 G CA 0.214 45.402 45.100 0.147 0.000 0.646 193 G HN 0.654 nan 8.290 nan 0.000 0.517 194 D N 0.631 121.136 120.400 0.176 0.000 2.417 194 D HA 0.195 4.835 4.640 -0.000 0.000 0.207 194 D C 1.362 177.773 176.300 0.185 0.000 1.075 194 D CA 0.692 54.803 54.000 0.185 0.000 0.851 194 D CB 0.295 41.195 40.800 0.166 0.000 0.976 194 D HN 0.401 nan 8.370 nan 0.000 0.505 195 S N -0.354 115.458 115.700 0.187 0.000 2.566 195 S HA 0.334 4.804 4.470 -0.000 0.000 0.280 195 S C 1.636 176.307 174.600 0.119 0.000 1.343 195 S CA 0.505 58.825 58.200 0.200 0.000 1.036 195 S CB 1.027 64.457 63.200 0.383 0.000 0.866 195 S HN 0.414 nan 8.310 nan 0.000 0.526 196 G N 1.220 110.065 108.800 0.074 0.000 2.245 196 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.264 196 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.264 196 G C 0.476 175.460 174.900 0.140 0.000 0.985 196 G CA 0.162 45.292 45.100 0.050 0.000 0.625 196 G HN 1.171 nan 8.290 nan 0.000 0.536 197 G N 0.437 109.346 108.800 0.182 0.000 2.616 197 G HA2 0.588 4.548 3.960 -0.000 0.000 0.268 197 G HA3 0.588 4.548 3.960 -0.000 0.000 0.268 197 G C -2.246 172.798 174.900 0.240 0.000 1.213 197 G CA -0.383 44.847 45.100 0.216 0.000 0.926 197 G HN 0.307 nan 8.290 nan 0.000 0.523 198 P HA 0.276 nan 4.420 nan 0.000 0.284 198 P C -1.245 176.218 177.300 0.271 0.000 1.253 198 P CA -0.424 62.820 63.100 0.241 0.000 0.800 198 P CB 1.132 32.951 31.700 0.199 0.000 0.961 199 F N 4.676 124.699 119.950 0.123 0.000 2.359 199 F HA 0.416 4.943 4.527 -0.000 0.000 0.369 199 F C -0.550 175.294 175.800 0.074 0.000 1.084 199 F CA -0.776 57.257 58.000 0.055 0.000 1.096 199 F CB 0.610 39.542 39.000 -0.114 0.000 1.335 199 F HN 0.145 nan 8.300 nan 0.000 0.457 200 V N 4.401 124.211 119.914 -0.174 0.000 2.919 200 V HA 0.773 4.893 4.120 -0.000 0.000 0.316 200 V C -0.780 175.271 176.094 -0.072 0.000 1.077 200 V CA -0.876 61.398 62.300 -0.044 0.000 0.977 200 V CB 2.112 33.928 31.823 -0.012 0.000 1.039 200 V HN 0.770 nan 8.190 nan 0.000 0.441 201 M N 2.339 121.968 119.600 0.049 0.000 2.531 201 M HA 0.559 5.039 4.480 -0.000 0.000 0.286 201 M C -0.934 175.290 176.300 -0.128 0.000 1.232 201 M CA -0.622 54.645 55.300 -0.055 0.000 0.877 201 M CB 2.614 35.144 32.600 -0.117 0.000 1.726 201 M HN 0.679 nan 8.290 nan 0.000 0.463 202 K N 1.104 121.207 120.400 -0.496 0.000 2.262 202 K HA 0.388 4.708 4.320 -0.000 0.000 0.282 202 K C 0.284 176.667 176.600 -0.362 0.000 1.066 202 K CA -0.155 55.723 56.287 -0.682 0.000 0.901 202 K CB 1.445 33.184 32.500 -1.267 0.000 1.089 202 K HN 0.755 nan 8.250 nan 0.000 0.476 203 S N 3.830 119.417 115.700 -0.189 0.000 2.118 203 S HA -0.169 4.301 4.470 -0.000 0.000 0.160 203 S C 0.901 175.409 174.600 -0.154 0.000 1.407 203 S CA 1.392 59.512 58.200 -0.134 0.000 2.425 203 S CB -0.354 62.843 63.200 -0.005 0.000 0.270 203 S HN 1.051 nan 8.310 nan 0.000 0.349 204 N N 0.149 118.838 118.700 -0.019 0.000 2.539 204 N HA -0.405 4.335 4.740 -0.000 0.000 0.239 204 N C 0.171 175.680 175.510 -0.002 0.000 1.250 204 N CA 1.546 54.601 53.050 0.009 0.000 0.833 204 N CB -1.603 36.916 38.487 0.053 0.000 1.216 204 N HN 0.675 nan 8.380 nan 0.000 0.588 205 N N -1.674 117.000 118.700 -0.043 0.000 2.909 205 N HA -0.166 4.574 4.740 -0.000 0.000 0.242 205 N C -0.938 174.535 175.510 -0.062 0.000 0.975 205 N CA 1.498 54.502 53.050 -0.077 0.000 0.921 205 N CB -0.764 37.703 38.487 -0.034 0.000 1.112 205 N HN 0.582 nan 8.380 nan 0.000 0.581 206 R N -0.793 119.700 120.500 -0.012 0.000 2.459 206 R HA 0.356 4.696 4.340 -0.000 0.000 0.281 206 R C -0.440 175.847 176.300 -0.022 0.000 1.050 206 R CA -0.296 55.799 56.100 -0.008 0.000 1.055 206 R CB 0.560 30.817 30.300 -0.071 0.000 1.045 206 R HN 0.105 nan 8.270 nan 0.000 0.495 207 W N 1.841 123.035 121.300 -0.177 0.000 2.390 207 W HA 0.320 4.980 4.660 0.000 0.000 0.312 207 W C -0.585 175.677 176.519 -0.429 0.000 1.123 207 W CA -0.082 57.127 57.345 -0.227 0.000 1.202 207 W CB 0.758 30.039 29.460 -0.299 0.000 1.251 207 W HN 0.412 nan 8.180 nan 0.000 0.511 208 Y N 1.295 121.572 120.300 -0.038 0.000 2.425 208 Y HA 0.223 4.773 4.550 0.000 0.000 0.344 208 Y C 0.055 175.905 175.900 -0.083 0.000 0.969 208 Y CA -1.288 56.756 58.100 -0.094 0.000 1.052 208 Y CB 2.068 40.486 38.460 -0.070 0.000 1.215 208 Y HN 0.270 nan 8.280 nan 0.000 0.451 209 Q N 3.968 123.805 119.800 0.062 0.000 2.337 209 Q HA 0.226 4.566 4.340 -0.000 0.000 0.255 209 Q C 0.063 176.172 176.000 0.182 0.000 0.997 209 Q CA -0.289 55.563 55.803 0.081 0.000 0.925 209 Q CB 0.674 29.427 28.738 0.024 0.000 1.212 209 Q HN 0.796 nan 8.270 nan 0.000 0.436 210 M N 1.721 121.462 119.600 0.235 0.000 2.516 210 M HA 0.291 4.771 4.480 -0.000 0.000 0.259 210 M C 0.704 177.203 176.300 0.331 0.000 1.146 210 M CA 0.439 55.866 55.300 0.211 0.000 1.122 210 M CB 0.508 33.176 32.600 0.114 0.000 1.341 210 M HN 0.550 nan 8.290 nan 0.000 0.478 211 G N 0.782 109.868 108.800 0.475 0.000 2.677 211 G HA2 0.662 4.622 3.960 -0.000 0.000 0.291 211 G HA3 0.662 4.622 3.960 -0.000 0.000 0.291 211 G C -1.652 173.459 174.900 0.350 0.000 1.435 211 G CA -0.642 44.715 45.100 0.428 0.000 0.826 211 G HN 0.095 nan 8.290 nan 0.000 0.491 212 I N 0.599 121.343 120.570 0.290 0.000 2.404 212 I HA 0.320 4.490 4.170 -0.000 0.000 0.293 212 I C 0.255 176.540 176.117 0.280 0.000 0.992 212 I CA -1.040 60.418 61.300 0.263 0.000 1.149 212 I CB 2.201 40.313 38.000 0.188 0.000 1.315 212 I HN 0.203 nan 8.210 nan 0.000 0.446 213 V N 5.015 125.100 119.914 0.285 0.000 2.485 213 V HA 0.081 4.201 4.120 -0.000 0.000 0.287 213 V C 0.580 176.693 176.094 0.033 0.000 1.022 213 V CA 0.370 62.734 62.300 0.107 0.000 1.067 213 V CB 0.447 32.391 31.823 0.202 0.000 0.967 213 V HN 0.926 nan 8.190 nan 0.000 0.479 214 S N 4.899 120.494 115.700 -0.175 0.000 4.213 214 S HA 0.487 4.957 4.470 -0.000 0.000 0.198 214 S C -0.160 174.463 174.600 0.038 0.000 0.970 214 S CA -0.549 57.696 58.200 0.075 0.000 1.707 214 S CB 0.598 63.792 63.200 -0.011 0.000 0.685 214 S HN 0.856 nan 8.310 nan 0.000 0.736 215 W N 0.998 122.248 121.300 -0.082 0.000 2.390 215 W HA 0.742 5.401 4.660 -0.000 0.000 0.362 215 W C -0.136 176.347 176.519 -0.059 0.000 1.206 215 W CA -0.553 56.709 57.345 -0.137 0.000 1.355 215 W CB -0.126 29.231 29.460 -0.172 0.000 1.278 215 W HN 0.772 nan 8.180 nan 0.000 0.653 216 G N 0.168 109.060 108.800 0.153 0.000 2.506 216 G HA2 0.408 4.368 3.960 -0.000 0.000 0.292 216 G HA3 0.408 4.368 3.960 -0.000 0.000 0.292 216 G C -1.834 173.183 174.900 0.196 0.000 1.425 216 G CA -0.935 44.199 45.100 0.057 0.000 0.788 216 G HN 0.532 nan 8.290 nan 0.000 0.490 220 c N 1.016 119.647 118.600 0.052 0.000 3.094 220 c HA 0.836 5.406 4.570 -0.000 0.000 0.262 220 c C 0.279 174.400 174.090 0.052 0.000 1.459 220 c CA -0.644 55.720 56.329 0.059 0.000 1.570 220 c CB -1.891 40.667 42.510 0.080 0.000 2.056 220 c HN 0.562 nan 8.230 nan 0.000 0.499 221 R N 0.568 121.063 120.500 -0.009 0.000 3.513 221 R HA 0.116 4.456 4.340 -0.000 0.000 0.243 221 R C -1.948 174.315 176.300 -0.062 0.000 1.033 221 R CA -0.545 55.539 56.100 -0.026 0.000 1.083 221 R CB 0.875 31.160 30.300 -0.025 0.000 1.246 221 R HN 0.415 nan 8.270 nan 0.000 0.526 222 D N 1.150 121.528 120.400 -0.037 0.000 2.450 222 D HA 0.149 4.789 4.640 -0.000 0.000 0.247 222 D C 1.323 177.571 176.300 -0.086 0.000 1.162 222 D CA 1.922 55.899 54.000 -0.040 0.000 0.879 222 D CB 1.155 41.953 40.800 -0.002 0.000 1.163 222 D HN 0.828 nan 8.370 nan 0.000 0.472 223 G N 2.238 110.950 108.800 -0.147 0.000 2.199 223 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.254 223 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.254 223 G C 0.237 174.907 174.900 -0.384 0.000 0.982 223 G CA 0.054 45.055 45.100 -0.166 0.000 0.632 223 G HN 0.493 nan 8.290 nan 0.000 0.529 224 K N -0.262 119.816 120.400 -0.536 0.000 2.267 224 K HA 0.700 5.020 4.320 -0.000 0.000 0.246 224 K C -1.056 174.955 176.600 -0.982 0.000 0.954 224 K CA -0.747 55.227 56.287 -0.523 0.000 0.824 224 K CB 1.858 34.262 32.500 -0.161 0.000 1.167 224 K HN 0.207 nan 8.250 nan 0.000 0.431 225 Y N -0.954 119.386 120.300 0.066 0.000 2.524 225 Y HA 0.399 4.949 4.550 0.000 0.000 0.344 225 Y C 0.852 176.702 175.900 -0.083 0.000 1.012 225 Y CA -1.118 56.959 58.100 -0.037 0.000 1.068 225 Y CB 1.897 40.267 38.460 -0.151 0.000 1.249 225 Y HN 0.737 nan 8.280 nan 0.000 0.468 226 G N 1.441 110.231 108.800 -0.017 0.000 2.403 226 G HA2 0.422 4.382 3.960 -0.000 0.000 0.259 226 G HA3 0.422 4.382 3.960 -0.000 0.000 0.259 226 G C -1.343 173.216 174.900 -0.570 0.000 1.244 226 G CA -0.119 44.858 45.100 -0.205 0.000 0.849 226 G HN 0.354 nan 8.290 nan 0.000 0.532 227 F N 0.454 119.836 119.950 -0.947 0.000 2.425 227 F HA 0.616 5.143 4.527 0.000 0.000 0.331 227 F C -0.334 174.648 175.800 -1.364 0.000 1.085 227 F CA -0.254 57.085 58.000 -1.101 0.000 1.028 227 F CB 2.091 40.099 39.000 -1.653 0.000 1.177 227 F HN 0.353 nan 8.300 nan 0.000 0.487 228 Y N -0.078 119.873 120.300 -0.581 0.000 2.441 228 Y HA 0.281 4.831 4.550 -0.000 0.000 0.334 228 Y C -0.077 175.589 175.900 -0.391 0.000 1.061 228 Y CA -1.290 56.405 58.100 -0.675 0.000 1.032 228 Y CB 1.829 39.242 38.460 -1.743 0.000 1.266 228 Y HN 0.413 nan 8.280 nan 0.000 0.441 229 T N 2.899 117.466 114.554 0.020 0.000 2.908 229 T HA -0.084 4.266 4.350 -0.000 0.000 0.301 229 T C 0.061 174.910 174.700 0.249 0.000 1.019 229 T CA 0.148 62.345 62.100 0.162 0.000 1.152 229 T CB -0.029 68.947 68.868 0.180 0.000 0.966 229 T HN 0.524 nan 8.240 nan 0.000 0.540 230 H N 4.334 123.579 119.070 0.292 0.000 3.045 230 H HA 0.152 4.708 4.556 -0.000 0.000 0.254 230 H C 1.189 176.682 175.328 0.275 0.000 1.747 230 H CA -0.384 55.895 56.048 0.385 0.000 1.444 230 H CB -0.243 29.691 29.762 0.288 0.000 1.778 230 H HN 0.419 nan 8.280 nan 0.000 0.544 231 V N 4.224 124.288 119.914 0.250 0.000 2.277 231 V HA -0.348 3.772 4.120 -0.000 0.000 0.253 231 V C 2.178 178.425 176.094 0.254 0.000 1.067 231 V CA 2.202 64.650 62.300 0.246 0.000 1.047 231 V CB -0.876 31.086 31.823 0.233 0.000 0.649 231 V HN 0.565 nan 8.190 nan 0.000 0.447 232 F N 0.480 120.536 119.950 0.177 0.000 2.325 232 F HA -0.010 4.517 4.527 0.000 0.000 0.299 232 F C 2.468 178.437 175.800 0.282 0.000 1.090 232 F CA 1.233 59.352 58.000 0.198 0.000 1.392 232 F CB -0.296 38.775 39.000 0.119 0.000 1.053 232 F HN -0.113 nan 8.300 nan 0.000 0.521 233 R N 0.409 121.046 120.500 0.230 0.000 2.120 233 R HA -0.030 4.310 4.340 -0.000 0.000 0.234 233 R C 1.598 177.857 176.300 -0.068 0.000 1.123 233 R CA 1.130 57.227 56.100 -0.004 0.000 0.975 233 R CB -0.568 29.770 30.300 0.064 0.000 0.866 233 R HN 0.372 nan 8.270 nan 0.000 0.446 234 L N 0.102 121.356 121.223 0.052 0.000 2.700 234 L HA 0.102 4.442 4.340 -0.000 0.000 0.234 234 L C 1.736 178.722 176.870 0.193 0.000 1.156 234 L CA -0.055 54.879 54.840 0.156 0.000 0.946 234 L CB 0.256 42.466 42.059 0.252 0.000 1.216 234 L HN -0.179 nan 8.230 nan 0.000 0.493 235 K N 0.753 121.166 120.400 0.021 0.000 2.063 235 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 235 K C 2.006 178.618 176.600 0.019 0.000 1.048 235 K CA 1.459 57.751 56.287 0.008 0.000 0.928 235 K CB 0.051 32.484 32.500 -0.112 0.000 0.713 235 K HN -0.044 nan 8.250 nan 0.000 0.442 236 K N -0.824 119.582 120.400 0.010 0.000 2.152 236 K HA -0.189 4.131 4.320 -0.000 0.000 0.206 236 K C 1.984 178.635 176.600 0.086 0.000 1.048 236 K CA 1.405 57.712 56.287 0.034 0.000 0.933 236 K CB -0.393 32.130 32.500 0.039 0.000 0.721 236 K HN 0.350 nan 8.250 nan 0.000 0.447 237 W N 1.434 122.719 121.300 -0.026 0.000 2.452 237 W HA -0.026 4.634 4.660 -0.000 0.000 0.313 237 W C 1.835 178.316 176.519 -0.064 0.000 1.176 237 W CA 0.800 58.128 57.345 -0.029 0.000 1.350 237 W CB -0.604 28.870 29.460 0.022 0.000 1.148 237 W HN -0.130 nan 8.180 nan 0.000 0.498 238 I N 0.847 121.319 120.570 -0.163 0.000 2.087 238 I HA -0.480 3.690 4.170 -0.000 0.000 0.240 238 I C 2.720 178.552 176.117 -0.475 0.000 1.054 238 I CA 2.241 63.260 61.300 -0.469 0.000 1.311 238 I CB -0.980 36.915 38.000 -0.175 0.000 1.024 238 I HN 0.135 nan 8.210 nan 0.000 0.402 239 Q N 0.386 120.033 119.800 -0.255 0.000 2.118 239 Q HA -0.338 4.002 4.340 -0.000 0.000 0.211 239 Q C 2.300 178.149 176.000 -0.252 0.000 0.998 239 Q CA 2.285 57.965 55.803 -0.206 0.000 0.872 239 Q CB -0.163 28.515 28.738 -0.100 0.000 0.925 239 Q HN 0.362 nan 8.270 nan 0.000 0.414 240 K N -0.114 120.134 120.400 -0.254 0.000 2.025 240 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 240 K C 2.091 178.525 176.600 -0.276 0.000 1.049 240 K CA 1.549 57.702 56.287 -0.223 0.000 0.933 240 K CB -0.198 32.218 32.500 -0.139 0.000 0.714 240 K HN 0.267 nan 8.250 nan 0.000 0.438 241 V N 0.163 119.819 119.914 -0.429 0.000 2.323 241 V HA -0.158 3.962 4.120 -0.000 0.000 0.244 241 V C 2.135 178.072 176.094 -0.262 0.000 1.041 241 V CA 1.291 63.450 62.300 -0.234 0.000 1.025 241 V CB -0.418 31.011 31.823 -0.656 0.000 0.656 241 V HN 0.309 nan 8.190 nan 0.000 0.451 242 I N 2.232 122.405 120.570 -0.661 0.000 2.290 242 I HA -0.274 3.896 4.170 -0.000 0.000 0.253 242 I C 2.150 178.083 176.117 -0.306 0.000 1.112 242 I CA 2.781 63.604 61.300 -0.796 0.000 1.377 242 I CB -0.494 36.999 38.000 -0.845 0.000 1.060 242 I HN 0.743 nan 8.210 nan 0.000 0.428 243 D N -1.431 118.829 120.400 -0.234 0.000 2.389 243 D HA -0.119 4.521 4.640 -0.000 0.000 0.206 243 D C 1.847 178.037 176.300 -0.183 0.000 1.055 243 D CA 0.094 54.008 54.000 -0.143 0.000 0.856 243 D CB -0.098 40.628 40.800 -0.123 0.000 0.957 243 D HN 0.182 nan 8.370 nan 0.000 0.509 244 Q N -0.241 119.371 119.800 -0.314 0.000 2.049 244 Q HA 0.050 4.390 4.340 -0.000 0.000 0.198 244 Q C 0.598 176.171 176.000 -0.712 0.000 0.971 244 Q CA 1.370 56.775 55.803 -0.663 0.000 0.833 244 Q CB -0.162 27.817 28.738 -1.266 0.000 0.896 244 Q HN 0.391 nan 8.270 nan 0.000 0.434 245 F N -0.447 119.498 119.950 -0.009 0.000 2.664 245 F HA 0.492 5.019 4.527 -0.000 0.000 0.303 245 F C 1.032 176.998 175.800 0.277 0.000 1.092 245 F CA 0.106 58.196 58.000 0.150 0.000 1.305 245 F CB 0.293 39.423 39.000 0.216 0.000 1.054 245 F HN 0.172 nan 8.300 nan 0.000 0.565 246 G N 0.000 108.978 108.800 0.297 0.000 5.446 246 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 246 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 246 G CA 0.000 45.283 45.100 0.306 0.000 0.502 246 G HN 0.000 nan 8.290 nan 0.000 0.925