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 1dwc_1_H DATA FIRST_RESID 16 DATA SEQUENCE IVEGSDAEIG MSPWQVMLFR SPQELLcGAS LISDRWVLTA AHcLTENDLL DATA SEQUENCE VRIGKHSRTR YRNIEKISML EKIYIHPRYN WENLDRDIAL MKLKKPVAFS DATA SEQUENCE DYIHPVCLPD RETLLQAGYK GRVTGWGNLK ETWKGQPSVL 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 0.000 176.140 176.117 0.039 0.000 1.063 16 I CA 0.000 61.324 61.300 0.041 0.000 1.566 16 I CB 0.000 38.004 38.000 0.006 0.000 1.214 17 V N 5.798 125.748 119.914 0.060 0.000 2.439 17 V HA 0.431 4.550 4.120 -0.002 0.000 0.282 17 V C 0.847 176.971 176.094 0.051 0.000 1.039 17 V CA -0.300 62.032 62.300 0.054 0.000 0.913 17 V CB 1.206 33.071 31.823 0.071 0.000 0.983 17 V HN 0.862 nan 8.190 nan 0.000 0.460 18 E N 1.581 121.799 120.200 0.030 0.000 2.722 18 E HA -0.191 4.158 4.350 -0.002 0.000 0.265 18 E C 0.642 177.257 176.600 0.024 0.000 1.081 18 E CA 1.017 57.431 56.400 0.023 0.000 0.781 18 E CB -1.342 28.373 29.700 0.026 0.000 1.372 18 E HN 0.990 nan 8.360 nan 0.000 0.423 19 G N -0.647 108.164 108.800 0.018 0.000 2.695 19 G HA2 0.659 4.618 3.960 -0.002 0.000 0.213 19 G HA3 0.659 4.618 3.960 -0.002 0.000 0.213 19 G C -0.104 174.794 174.900 -0.004 0.000 1.406 19 G CA 0.370 45.478 45.100 0.013 0.000 1.049 19 G HN 0.154 nan 8.290 nan 0.000 0.573 20 S N -1.124 114.566 115.700 -0.016 0.000 2.671 20 S HA 0.453 4.922 4.470 -0.002 0.000 0.277 20 S C -1.906 172.674 174.600 -0.034 0.000 1.165 20 S CA -0.751 57.437 58.200 -0.019 0.000 0.822 20 S CB 1.768 64.962 63.200 -0.010 0.000 1.150 20 S HN 0.462 nan 8.310 nan 0.000 0.479 21 D N 1.680 122.066 120.400 -0.024 0.000 2.390 21 D HA 0.536 5.176 4.640 -0.002 0.000 0.249 21 D C 0.123 176.416 176.300 -0.011 0.000 1.144 21 D CA 0.135 54.120 54.000 -0.025 0.000 0.880 21 D CB 0.874 41.678 40.800 0.007 0.000 1.182 21 D HN 0.670 nan 8.370 nan 0.000 0.451 22 A N 2.689 125.495 122.820 -0.024 0.000 2.304 22 A HA 0.295 4.614 4.320 -0.002 0.000 0.271 22 A C 0.420 178.071 177.584 0.111 0.000 1.091 22 A CA -0.530 51.507 52.037 -0.001 0.000 0.812 22 A CB 0.441 19.398 19.000 -0.071 0.000 1.056 22 A HN 0.532 nan 8.150 nan 0.000 0.489 23 E N 0.191 120.417 120.200 0.043 0.000 2.374 23 E HA 0.280 4.629 4.350 -0.002 0.000 0.260 23 E C -0.608 175.984 176.600 -0.013 0.000 1.101 23 E CA -0.250 56.162 56.400 0.021 0.000 0.907 23 E CB 0.791 30.477 29.700 -0.022 0.000 1.014 23 E HN 0.536 nan 8.360 nan 0.000 0.427 24 I N 1.710 122.199 120.570 -0.135 0.000 2.683 24 I HA -0.032 4.137 4.170 -0.002 0.000 0.286 24 I C 1.300 177.380 176.117 -0.063 0.000 1.175 24 I CA 0.939 62.109 61.300 -0.216 0.000 1.429 24 I CB 0.078 37.920 38.000 -0.263 0.000 1.371 24 I HN 0.889 nan 8.210 nan 0.000 0.569 25 G N 5.155 113.954 108.800 -0.001 0.000 2.160 25 G HA2 -0.333 3.626 3.960 -0.002 0.000 0.251 25 G HA3 -0.333 3.626 3.960 -0.002 0.000 0.251 25 G C 0.798 175.570 174.900 -0.213 0.000 1.008 25 G CA 0.542 45.603 45.100 -0.065 0.000 0.724 25 G HN 0.713 nan 8.290 nan 0.000 0.514 26 M N -0.296 119.176 119.600 -0.213 0.000 2.349 26 M HA 0.218 4.697 4.480 -0.002 0.000 0.266 26 M C 0.804 176.752 176.300 -0.587 0.000 1.076 26 M CA 1.686 56.805 55.300 -0.302 0.000 1.126 26 M CB 0.319 32.803 32.600 -0.193 0.000 1.392 26 M HN 0.139 nan 8.290 nan 0.000 0.440 27 S N 0.758 116.055 115.700 -0.673 0.000 2.216 27 S HA 0.306 4.775 4.470 -0.002 0.000 0.156 27 S C -2.128 171.831 174.600 -1.069 0.000 1.665 27 S CA -1.041 56.450 58.200 -1.182 0.000 1.262 27 S CB 1.105 63.850 63.200 -0.758 0.000 1.207 27 S HN 0.211 nan 8.310 nan 0.000 0.427 28 P HA -0.008 nan 4.420 nan 0.000 0.230 28 P C 0.679 177.841 177.300 -0.231 0.000 1.158 28 P CA 0.614 63.439 63.100 -0.457 0.000 0.769 28 P CB -0.205 31.339 31.700 -0.261 0.000 0.807 29 W N -1.101 120.186 121.300 -0.022 0.000 3.290 29 W HA 0.401 5.060 4.660 -0.002 0.000 0.287 29 W C 0.498 177.036 176.519 0.033 0.000 1.288 29 W CA -0.582 56.759 57.345 -0.006 0.000 1.725 29 W CB -1.406 28.034 29.460 -0.034 0.000 1.103 29 W HN -0.160 nan 8.180 nan 0.000 0.670 30 Q N 2.237 122.028 119.800 -0.015 0.000 2.271 30 Q HA 0.310 4.649 4.340 -0.002 0.000 0.273 30 Q C -0.776 175.343 176.000 0.198 0.000 1.051 30 Q CA 0.179 56.029 55.803 0.079 0.000 0.901 30 Q CB 0.902 29.570 28.738 -0.115 0.000 1.174 30 Q HN 0.113 nan 8.270 nan 0.000 0.385 31 V N 5.719 125.786 119.914 0.256 0.000 2.628 31 V HA 0.459 4.578 4.120 -0.002 0.000 0.306 31 V C -0.286 176.029 176.094 0.368 0.000 1.045 31 V CA -0.861 61.606 62.300 0.278 0.000 0.905 31 V CB 1.883 33.839 31.823 0.221 0.000 0.997 31 V HN 0.929 nan 8.190 nan 0.000 0.436 32 M N 4.790 124.577 119.600 0.312 0.000 2.268 32 M HA 0.565 5.044 4.480 -0.002 0.000 0.344 32 M C -1.590 174.818 176.300 0.180 0.000 1.106 32 M CA -0.591 54.863 55.300 0.256 0.000 1.010 32 M CB 1.274 33.831 32.600 -0.072 0.000 1.649 32 M HN 0.533 nan 8.290 nan 0.000 0.443 33 L N 5.654 126.990 121.223 0.189 0.000 2.264 33 L HA 0.404 4.743 4.340 -0.002 0.000 0.287 33 L C -1.186 175.794 176.870 0.183 0.000 1.039 33 L CA -0.374 54.561 54.840 0.158 0.000 0.829 33 L CB 0.659 42.787 42.059 0.116 0.000 1.211 33 L HN 0.636 nan 8.230 nan 0.000 0.427 34 F N 4.375 124.321 119.950 -0.007 0.000 2.399 34 F HA 0.496 5.023 4.527 -0.001 0.000 0.334 34 F C 0.582 176.369 175.800 -0.021 0.000 1.097 34 F CA -0.321 57.662 58.000 -0.029 0.000 1.076 34 F CB 1.148 40.117 39.000 -0.053 0.000 1.162 34 F HN 0.403 nan 8.300 nan 0.000 0.495 35 R N 1.483 121.666 120.500 -0.529 0.000 2.748 35 R HA 0.429 4.768 4.340 -0.002 0.000 0.220 35 R C -0.545 175.499 176.300 -0.426 0.000 1.404 35 R CA -0.651 55.227 56.100 -0.370 0.000 1.039 35 R CB 1.137 31.245 30.300 -0.319 0.000 1.904 35 R HN 0.622 nan 8.270 nan 0.000 0.529 36 S N 1.680 117.316 115.700 -0.108 0.000 2.465 36 S HA 0.226 4.695 4.470 -0.002 0.000 0.280 36 S C -1.988 172.559 174.600 -0.088 0.000 1.232 36 S CA -1.420 56.727 58.200 -0.088 0.000 1.066 36 S CB 0.349 63.517 63.200 -0.052 0.000 0.929 36 S HN 0.352 nan 8.310 nan 0.000 0.494 37 P HA 0.208 nan 4.420 nan 0.000 0.274 37 P C -0.859 176.324 177.300 -0.195 0.000 1.237 37 P CA -0.446 62.590 63.100 -0.108 0.000 0.793 37 P CB 0.326 31.976 31.700 -0.084 0.000 0.977 38 Q N 1.175 120.856 119.800 -0.199 0.000 2.296 38 Q HA 0.227 4.566 4.340 -0.002 0.000 0.263 38 Q C 0.170 175.905 176.000 -0.442 0.000 1.026 38 Q CA 0.277 55.839 55.803 -0.402 0.000 0.912 38 Q CB 0.328 29.017 28.738 -0.081 0.000 1.198 38 Q HN 0.495 nan 8.270 nan 0.000 0.407 39 E N 1.874 121.630 120.200 -0.739 0.000 2.416 39 E HA 0.333 4.682 4.350 -0.002 0.000 0.280 39 E C -1.513 174.848 176.600 -0.398 0.000 1.055 39 E CA -0.951 55.214 56.400 -0.392 0.000 0.825 39 E CB 0.767 30.353 29.700 -0.191 0.000 1.312 39 E HN 0.404 nan 8.360 nan 0.000 0.452 40 L N 3.111 124.280 121.223 -0.090 0.000 2.315 40 L HA 0.246 4.585 4.340 -0.002 0.000 0.283 40 L C 0.122 177.006 176.870 0.024 0.000 1.089 40 L CA -0.351 54.510 54.840 0.035 0.000 0.833 40 L CB 0.251 42.373 42.059 0.105 0.000 1.170 40 L HN 0.719 nan 8.230 nan 0.000 0.442 41 L N 4.446 125.683 121.223 0.024 0.000 2.102 41 L HA 0.124 4.463 4.340 -0.002 0.000 0.202 41 L C 0.436 177.354 176.870 0.079 0.000 1.076 41 L CA 0.449 55.307 54.840 0.031 0.000 0.761 41 L CB 0.102 42.165 42.059 0.006 0.000 0.921 41 L HN 0.647 nan 8.230 nan 0.000 0.444 42 c N -2.498 116.171 118.600 0.114 0.000 3.211 42 c HA 0.530 5.099 4.570 -0.002 0.000 0.350 42 c C 0.357 174.568 174.090 0.201 0.000 1.413 42 c CA -1.031 55.382 56.329 0.139 0.000 1.203 42 c CB 0.791 43.345 42.510 0.072 0.000 1.506 42 c HN 0.445 nan 8.230 nan 0.000 0.448 43 G N -0.040 108.880 108.800 0.201 0.000 2.535 43 G HA2 0.894 4.853 3.960 -0.002 0.000 0.303 43 G HA3 0.894 4.853 3.960 -0.002 0.000 0.303 43 G C -0.560 174.453 174.900 0.187 0.000 1.237 43 G CA 0.451 45.691 45.100 0.233 0.000 0.986 43 G HN 1.866 nan 8.290 nan 0.000 0.494 44 A N -1.162 121.778 122.820 0.200 0.000 2.456 44 A HA 0.776 5.095 4.320 -0.002 0.000 0.294 44 A C -0.435 177.276 177.584 0.211 0.000 1.057 44 A CA 0.220 52.369 52.037 0.187 0.000 0.623 44 A CB 0.661 19.765 19.000 0.173 0.000 1.338 44 A HN 2.216 nan 8.150 nan 0.000 0.464 45 S N -0.814 115.012 115.700 0.210 0.000 2.564 45 S HA 0.713 5.182 4.470 -0.002 0.000 0.274 45 S C -1.317 173.416 174.600 0.222 0.000 1.124 45 S CA -0.559 57.784 58.200 0.240 0.000 0.869 45 S CB 1.508 64.847 63.200 0.232 0.000 1.105 45 S HN 1.997 nan 8.310 nan 0.000 0.472 46 L N 3.173 124.543 121.223 0.245 0.000 2.259 46 L HA 0.534 4.873 4.340 -0.002 0.000 0.288 46 L C 0.646 177.613 176.870 0.161 0.000 1.051 46 L CA -0.549 54.420 54.840 0.215 0.000 0.824 46 L CB 0.428 42.620 42.059 0.222 0.000 1.206 46 L HN 0.851 nan 8.230 nan 0.000 0.429 47 I N 1.437 122.098 120.570 0.152 0.000 3.860 47 I HA 0.345 4.514 4.170 -0.002 0.000 0.319 47 I C 0.290 176.468 176.117 0.101 0.000 1.279 47 I CA 0.384 61.734 61.300 0.083 0.000 1.220 47 I CB -0.145 37.894 38.000 0.064 0.000 1.027 47 I HN 0.639 nan 8.210 nan 0.000 0.428 48 S N -0.607 115.212 115.700 0.199 0.000 2.656 48 S HA 0.027 4.496 4.470 -0.002 0.000 0.265 48 S C 0.311 175.138 174.600 0.378 0.000 1.110 48 S CA -0.127 58.242 58.200 0.283 0.000 0.821 48 S CB 0.581 63.925 63.200 0.241 0.000 1.099 48 S HN 0.328 nan 8.310 nan 0.000 0.471 49 D N 0.234 120.872 120.400 0.397 0.000 2.292 49 D HA -0.178 4.461 4.640 -0.002 0.000 0.205 49 D C 0.997 177.330 176.300 0.055 0.000 0.994 49 D CA 1.321 55.388 54.000 0.111 0.000 0.897 49 D CB 0.011 40.783 40.800 -0.047 0.000 0.907 49 D HN 0.583 nan 8.370 nan 0.000 0.467 50 R N -2.284 118.277 120.500 0.102 0.000 2.504 50 R HA 0.134 4.473 4.340 -0.002 0.000 0.341 50 R C -0.791 175.410 176.300 -0.165 0.000 0.905 50 R CA -0.401 55.660 56.100 -0.065 0.000 1.133 50 R CB 0.420 30.605 30.300 -0.192 0.000 1.704 50 R HN -0.012 nan 8.270 nan 0.000 0.503 51 W N 0.642 121.974 121.300 0.054 0.000 2.736 51 W HA 0.578 5.237 4.660 -0.002 0.000 0.335 51 W C -0.480 176.084 176.519 0.075 0.000 1.059 51 W CA -0.709 56.664 57.345 0.047 0.000 1.226 51 W CB 1.739 31.200 29.460 0.001 0.000 1.416 51 W HN -0.354 nan 8.180 nan 0.000 0.505 52 V N 4.093 124.213 119.914 0.344 0.000 2.656 52 V HA 0.475 4.594 4.120 -0.002 0.000 0.307 52 V C -1.124 175.129 176.094 0.265 0.000 1.051 52 V CA -1.094 61.359 62.300 0.256 0.000 0.893 52 V CB 1.690 33.629 31.823 0.192 0.000 0.999 52 V HN 0.352 nan 8.190 nan 0.000 0.426 53 L N 4.321 125.677 121.223 0.222 0.000 2.305 53 L HA 0.861 5.200 4.340 -0.002 0.000 0.284 53 L C -0.168 176.812 176.870 0.185 0.000 1.013 53 L CA 0.820 55.786 54.840 0.209 0.000 0.819 53 L CB 1.697 43.865 42.059 0.180 0.000 1.227 53 L HN 0.817 nan 8.230 nan 0.000 0.417 54 T N 3.175 117.832 114.554 0.172 0.000 2.716 54 T HA 0.868 5.217 4.350 -0.002 0.000 0.286 54 T C -0.968 173.780 174.700 0.080 0.000 1.052 54 T CA -0.084 62.087 62.100 0.119 0.000 1.024 54 T CB 1.383 70.305 68.868 0.090 0.000 1.349 54 T HN 0.873 nan 8.240 nan 0.000 0.525 55 A N 0.612 123.428 122.820 -0.007 0.000 2.310 55 A HA 0.729 5.048 4.320 -0.002 0.000 0.299 55 A C 1.454 178.924 177.584 -0.190 0.000 1.147 55 A CA 0.186 52.181 52.037 -0.070 0.000 0.818 55 A CB 0.306 19.248 19.000 -0.097 0.000 1.096 55 A HN 1.129 nan 8.150 nan 0.000 0.495 56 A N 1.362 124.036 122.820 -0.244 0.000 1.865 56 A HA -0.191 4.128 4.320 -0.002 0.000 0.217 56 A C 1.822 179.166 177.584 -0.399 0.000 1.191 56 A CA 1.860 53.629 52.037 -0.446 0.000 0.623 56 A CB -1.275 17.116 19.000 -1.015 0.000 0.826 56 A HN 1.202 nan 8.150 nan 0.000 0.444 57 H N -1.249 117.679 119.070 -0.237 0.000 2.554 57 H HA -0.138 4.417 4.556 -0.002 0.000 0.292 57 H C 1.556 176.902 175.328 0.028 0.000 1.066 57 H CA 1.360 57.428 56.048 0.034 0.000 1.206 57 H CB -0.769 29.103 29.762 0.183 0.000 1.351 57 H HN 0.429 nan 8.280 nan 0.000 0.598 58 c N 0.836 119.182 118.600 -0.423 0.000 2.533 58 c HA 0.283 4.852 4.570 -0.002 0.000 0.272 58 c C 1.443 175.480 174.090 -0.087 0.000 1.371 58 c CA -0.329 55.858 56.329 -0.237 0.000 1.758 58 c CB -0.474 41.909 42.510 -0.211 0.000 1.972 58 c HN 0.352 nan 8.230 nan 0.000 0.522 59 L N 0.007 121.179 121.223 -0.084 0.000 2.298 59 L HA 0.532 4.871 4.340 -0.002 0.000 0.268 59 L C 0.548 177.396 176.870 -0.037 0.000 1.010 59 L CA -0.164 54.649 54.840 -0.046 0.000 0.812 59 L CB 1.055 43.094 42.059 -0.034 0.000 1.331 59 L HN 0.072 nan 8.230 nan 0.000 0.450 60 T N -3.729 110.808 114.554 -0.028 0.000 2.937 60 T HA 0.278 4.627 4.350 -0.002 0.000 0.283 60 T C 0.684 175.368 174.700 -0.026 0.000 1.012 60 T CA -0.567 61.516 62.100 -0.028 0.000 0.997 60 T CB 1.539 70.389 68.868 -0.030 0.000 1.136 60 T HN 0.566 nan 8.240 nan 0.000 0.551 61 E N 0.631 120.811 120.200 -0.032 0.000 2.187 61 E HA -0.143 4.206 4.350 -0.002 0.000 0.199 61 E C 1.738 178.324 176.600 -0.023 0.000 1.004 61 E CA 1.637 58.019 56.400 -0.031 0.000 0.813 61 E CB -0.211 29.462 29.700 -0.045 0.000 0.736 61 E HN 0.588 nan 8.360 nan 0.000 0.468 62 N N 0.431 119.116 118.700 -0.024 0.000 2.412 62 N HA -0.046 4.693 4.740 -0.002 0.000 0.184 62 N C 0.252 175.751 175.510 -0.019 0.000 1.101 62 N CA 0.562 53.600 53.050 -0.021 0.000 0.881 62 N CB 0.331 38.805 38.487 -0.022 0.000 0.969 62 N HN 0.186 nan 8.380 nan 0.000 0.459 63 D N 0.742 121.129 120.400 -0.022 0.000 2.333 63 D HA 0.097 4.736 4.640 -0.002 0.000 0.208 63 D C 0.631 176.917 176.300 -0.025 0.000 0.984 63 D CA 0.409 54.392 54.000 -0.028 0.000 0.873 63 D CB 0.540 41.320 40.800 -0.034 0.000 0.935 63 D HN 0.181 nan 8.370 nan 0.000 0.521 64 L N -0.248 120.970 121.223 -0.008 0.000 2.286 64 L HA 0.533 4.872 4.340 -0.002 0.000 0.265 64 L C -0.220 176.675 176.870 0.041 0.000 1.012 64 L CA -0.831 54.017 54.840 0.013 0.000 0.818 64 L CB 1.629 43.700 42.059 0.020 0.000 1.337 64 L HN -0.289 nan 8.230 nan 0.000 0.438 65 L N 0.154 121.428 121.223 0.085 0.000 2.350 65 L HA 0.732 5.071 4.340 -0.002 0.000 0.260 65 L C -1.239 175.699 176.870 0.114 0.000 1.015 65 L CA -0.978 53.924 54.840 0.103 0.000 0.821 65 L CB 2.598 44.750 42.059 0.154 0.000 1.370 65 L HN 0.204 nan 8.230 nan 0.000 0.416 66 V N 1.959 121.923 119.914 0.083 0.000 2.483 66 V HA 0.482 4.601 4.120 -0.002 0.000 0.297 66 V C -0.718 175.413 176.094 0.062 0.000 1.027 66 V CA -0.463 61.889 62.300 0.087 0.000 0.855 66 V CB 1.963 33.836 31.823 0.083 0.000 0.995 66 V HN 0.639 nan 8.190 nan 0.000 0.424 67 R N 6.099 126.632 120.500 0.056 0.000 2.310 67 R HA 0.679 5.018 4.340 -0.002 0.000 0.324 67 R C -1.151 175.190 176.300 0.069 0.000 0.955 67 R CA -0.437 55.671 56.100 0.013 0.000 0.830 67 R CB 1.771 32.010 30.300 -0.101 0.000 1.154 67 R HN 0.565 nan 8.270 nan 0.000 0.458 68 I N 0.842 121.464 120.570 0.086 0.000 2.441 68 I HA 0.445 4.614 4.170 -0.002 0.000 0.295 68 I C 1.030 177.217 176.117 0.116 0.000 0.994 68 I CA -0.324 61.053 61.300 0.128 0.000 1.144 68 I CB 2.085 40.171 38.000 0.142 0.000 1.314 68 I HN 0.883 nan 8.210 nan 0.000 0.445 69 G N 3.530 112.413 108.800 0.138 0.000 2.144 69 G HA2 -0.199 3.760 3.960 -0.002 0.000 0.218 69 G HA3 -0.199 3.760 3.960 -0.002 0.000 0.218 69 G C 0.142 175.098 174.900 0.093 0.000 0.988 69 G CA -0.541 44.633 45.100 0.124 0.000 0.659 69 G HN 0.550 nan 8.290 nan 0.000 0.522 70 K N -0.927 119.562 120.400 0.149 0.000 2.202 70 K HA 0.540 4.859 4.320 -0.002 0.000 0.264 70 K C 0.797 177.609 176.600 0.354 0.000 1.010 70 K CA -0.122 56.263 56.287 0.162 0.000 0.940 70 K CB 1.066 33.575 32.500 0.015 0.000 0.983 70 K HN 0.345 nan 8.250 nan 0.000 0.475 71 H N -0.248 118.924 119.070 0.170 0.000 2.067 71 H HA 0.104 4.659 4.556 -0.001 0.000 0.220 71 H C 0.142 175.639 175.328 0.282 0.000 0.883 71 H CA 0.306 56.473 56.048 0.199 0.000 1.042 71 H CB 0.359 30.148 29.762 0.045 0.000 1.305 71 H HN 0.480 nan 8.280 nan 0.000 0.430 72 S N 0.622 116.384 115.700 0.103 0.000 2.565 72 S HA 0.113 4.582 4.470 -0.002 0.000 0.276 72 S C 1.441 175.962 174.600 -0.132 0.000 1.326 72 S CA -0.343 57.853 58.200 -0.006 0.000 1.045 72 S CB 0.969 64.167 63.200 -0.004 0.000 0.918 72 S HN 0.540 nan 8.310 nan 0.000 0.505 73 R N 1.674 122.080 120.500 -0.157 0.000 2.066 73 R HA -0.070 4.269 4.340 -0.002 0.000 0.232 73 R C 1.962 178.066 176.300 -0.327 0.000 1.131 73 R CA 2.140 57.988 56.100 -0.420 0.000 0.955 73 R CB -0.726 29.487 30.300 -0.146 0.000 0.851 73 R HN 0.872 nan 8.270 nan 0.000 0.432 74 T N -2.138 112.322 114.554 -0.158 0.000 3.023 74 T HA 0.209 4.558 4.350 -0.002 0.000 0.249 74 T C 0.894 175.540 174.700 -0.091 0.000 1.050 74 T CA -0.379 61.660 62.100 -0.101 0.000 1.088 74 T CB 0.071 68.916 68.868 -0.038 0.000 0.946 74 T HN 0.096 nan 8.240 nan 0.000 0.480 75 R N 0.613 121.066 120.500 -0.079 0.000 2.827 75 R HA 0.344 4.683 4.340 -0.002 0.000 0.269 75 R C -0.265 176.024 176.300 -0.019 0.000 1.048 75 R CA -0.398 55.675 56.100 -0.044 0.000 1.173 75 R CB 0.187 30.459 30.300 -0.047 0.000 1.070 75 R HN 0.355 nan 8.270 nan 0.000 0.498 76 Y N 0.081 120.301 120.300 -0.133 0.000 2.654 76 Y HA 0.314 4.863 4.550 -0.001 0.000 0.328 76 Y C 0.282 176.112 175.900 -0.116 0.000 1.174 76 Y CA -1.002 57.010 58.100 -0.147 0.000 1.293 76 Y CB 0.940 39.323 38.460 -0.128 0.000 1.464 76 Y HN 0.560 nan 8.280 nan 0.000 0.559 77 R N -1.312 118.622 120.500 -0.944 0.000 3.643 77 R HA 0.133 4.472 4.340 -0.002 0.000 0.069 77 R C 1.200 177.286 176.300 -0.357 0.000 0.766 77 R CA 0.968 56.588 56.100 -0.801 0.000 2.179 77 R CB -1.515 28.443 30.300 -0.570 0.000 1.514 77 R HN 0.537 nan 8.270 nan 0.000 0.455 78 N N 1.564 120.100 118.700 -0.274 0.000 2.409 78 N HA 0.246 4.985 4.740 -0.002 0.000 0.179 78 N C 1.703 177.122 175.510 -0.151 0.000 1.032 78 N CA 1.539 54.488 53.050 -0.169 0.000 0.898 78 N CB 0.016 38.421 38.487 -0.137 0.000 0.971 78 N HN 0.273 nan 8.380 nan 0.000 0.441 79 I N -0.054 120.385 120.570 -0.218 0.000 3.445 79 I HA 0.062 4.231 4.170 -0.002 0.000 0.288 79 I C 0.805 176.848 176.117 -0.124 0.000 1.198 79 I CA 0.073 61.230 61.300 -0.239 0.000 1.417 79 I CB 0.298 37.993 38.000 -0.508 0.000 1.205 79 I HN 0.511 nan 8.210 nan 0.000 0.448 80 E N 2.318 122.444 120.200 -0.122 0.000 2.314 80 E HA 0.513 4.862 4.350 -0.002 0.000 0.262 80 E C -0.341 176.269 176.600 0.016 0.000 1.093 80 E CA -0.595 55.785 56.400 -0.035 0.000 0.908 80 E CB 0.827 30.507 29.700 -0.034 0.000 1.091 80 E HN 0.010 nan 8.360 nan 0.000 0.425 81 K N 2.488 122.917 120.400 0.049 0.000 2.471 81 K HA 0.433 4.752 4.320 -0.002 0.000 0.252 81 K C -0.849 175.783 176.600 0.053 0.000 0.938 81 K CA -0.653 55.670 56.287 0.059 0.000 0.796 81 K CB 0.987 33.528 32.500 0.068 0.000 1.161 81 K HN 0.558 nan 8.250 nan 0.000 0.425 82 I N 2.639 123.236 120.570 0.045 0.000 2.312 82 I HA 0.330 4.499 4.170 -0.002 0.000 0.290 82 I C -0.086 176.040 176.117 0.016 0.000 1.008 82 I CA -0.768 60.543 61.300 0.018 0.000 1.226 82 I CB 1.713 39.706 38.000 -0.012 0.000 1.371 82 I HN 0.615 nan 8.210 nan 0.000 0.468 83 S N 6.984 122.697 115.700 0.022 0.000 2.578 83 S HA 0.667 5.136 4.470 -0.002 0.000 0.301 83 S C -0.305 174.302 174.600 0.012 0.000 1.091 83 S CA -0.820 57.389 58.200 0.014 0.000 1.032 83 S CB 2.061 65.272 63.200 0.019 0.000 1.064 83 S HN 0.454 nan 8.310 nan 0.000 0.508 84 M N 2.265 121.863 119.600 -0.002 0.000 2.404 84 M HA 0.454 4.933 4.480 -0.002 0.000 0.338 84 M C -0.923 175.365 176.300 -0.019 0.000 1.150 84 M CA -0.590 54.706 55.300 -0.006 0.000 1.016 84 M CB 0.970 33.562 32.600 -0.012 0.000 1.672 84 M HN 0.348 nan 8.290 nan 0.000 0.448 85 L N 1.680 122.892 121.223 -0.017 0.000 2.380 85 L HA 0.169 4.508 4.340 -0.002 0.000 0.273 85 L C 1.238 178.078 176.870 -0.052 0.000 1.138 85 L CA 0.161 54.981 54.840 -0.033 0.000 0.832 85 L CB 0.701 42.749 42.059 -0.018 0.000 1.124 85 L HN 0.881 nan 8.230 nan 0.000 0.454 86 E N 1.967 122.120 120.200 -0.077 0.000 2.251 86 E HA 0.019 4.368 4.350 -0.002 0.000 0.194 86 E C -0.093 176.457 176.600 -0.084 0.000 0.964 86 E CA 0.301 56.652 56.400 -0.081 0.000 0.868 86 E CB 0.753 30.391 29.700 -0.103 0.000 0.828 86 E HN 0.475 nan 8.360 nan 0.000 0.481 87 K N 0.208 120.552 120.400 -0.094 0.000 2.589 87 K HA 0.344 4.663 4.320 -0.002 0.000 0.265 87 K C -2.024 174.490 176.600 -0.143 0.000 0.935 87 K CA -0.291 55.907 56.287 -0.148 0.000 0.850 87 K CB 1.078 33.486 32.500 -0.155 0.000 1.372 87 K HN 0.001 nan 8.250 nan 0.000 0.420 88 I N 4.087 124.522 120.570 -0.226 0.000 2.441 88 I HA 0.444 4.613 4.170 -0.002 0.000 0.295 88 I C -0.958 175.012 176.117 -0.244 0.000 0.994 88 I CA -1.025 60.222 61.300 -0.089 0.000 1.144 88 I CB 1.346 39.334 38.000 -0.021 0.000 1.314 88 I HN 0.539 nan 8.210 nan 0.000 0.445 89 Y N 5.979 126.407 120.300 0.213 0.000 2.326 89 Y HA 0.524 5.074 4.550 -0.001 0.000 0.329 89 Y C -0.153 175.984 175.900 0.394 0.000 0.973 89 Y CA -0.596 57.682 58.100 0.295 0.000 1.162 89 Y CB 1.359 40.008 38.460 0.315 0.000 1.147 89 Y HN 0.273 nan 8.280 nan 0.000 0.456 90 I N 3.435 124.255 120.570 0.416 0.000 2.377 90 I HA 0.161 4.330 4.170 -0.002 0.000 0.293 90 I C 0.319 176.548 176.117 0.188 0.000 0.987 90 I CA -0.923 60.536 61.300 0.266 0.000 1.185 90 I CB 1.091 39.174 38.000 0.139 0.000 1.341 90 I HN 0.641 nan 8.210 nan 0.000 0.455 91 H N 8.771 127.670 119.070 -0.286 0.000 3.157 91 H HA -0.003 4.552 4.556 -0.002 0.000 0.299 91 H C -1.604 173.631 175.328 -0.156 0.000 0.961 91 H CA -0.661 54.983 56.048 -0.673 0.000 1.428 91 H CB 1.236 30.452 29.762 -0.911 0.000 1.459 91 H HN 0.357 nan 8.280 nan 0.000 0.566 92 P HA -0.149 nan 4.420 nan 0.000 0.218 92 P C 0.986 178.338 177.300 0.088 0.000 1.148 92 P CA 1.795 64.851 63.100 -0.074 0.000 0.822 92 P CB 0.074 31.699 31.700 -0.125 0.000 0.784 93 R N -0.959 119.702 120.500 0.269 0.000 2.586 93 R HA 0.114 4.453 4.340 -0.002 0.000 0.306 93 R C 0.194 176.614 176.300 0.200 0.000 1.079 93 R CA -0.636 55.601 56.100 0.228 0.000 1.083 93 R CB -2.068 28.338 30.300 0.176 0.000 1.306 93 R HN 0.260 nan 8.270 nan 0.000 0.567 94 Y N 1.659 122.041 120.300 0.138 0.000 2.605 94 Y HA 0.267 4.816 4.550 -0.002 0.000 0.336 94 Y C -0.041 175.900 175.900 0.069 0.000 1.111 94 Y CA -1.266 56.883 58.100 0.082 0.000 1.422 94 Y CB 0.557 39.099 38.460 0.138 0.000 1.193 94 Y HN 0.294 nan 8.280 nan 0.000 0.526 95 N N 8.519 127.026 118.700 -0.322 0.000 2.767 95 N HA 0.042 4.781 4.740 -0.002 0.000 0.238 95 N C -0.392 174.744 175.510 -0.623 0.000 1.083 95 N CA -0.781 51.965 53.050 -0.507 0.000 0.964 95 N CB -0.198 38.112 38.487 -0.296 0.000 1.252 95 N HN 0.782 nan 8.380 nan 0.000 0.512 96 W N 4.648 125.468 121.300 -0.801 0.000 2.564 96 W HA 0.173 4.832 4.660 -0.001 0.000 0.447 96 W C 0.691 177.035 176.519 -0.291 0.000 0.701 96 W CA -0.510 56.495 57.345 -0.566 0.000 2.223 96 W CB -1.015 28.125 29.460 -0.534 0.000 0.990 96 W HN 0.539 nan 8.180 nan 0.000 0.698 97 E N 2.612 122.612 120.200 -0.333 0.000 2.170 97 E HA -0.381 3.968 4.350 -0.002 0.000 0.229 97 E C 0.991 177.407 176.600 -0.307 0.000 1.074 97 E CA 2.572 58.808 56.400 -0.273 0.000 0.930 97 E CB -0.851 28.707 29.700 -0.237 0.000 0.806 97 E HN 0.365 nan 8.360 nan 0.000 0.478 98 N N -0.044 118.468 118.700 -0.312 0.000 2.160 98 N HA 0.156 4.895 4.740 -0.002 0.000 0.226 98 N C 0.166 175.454 175.510 -0.369 0.000 1.256 98 N CA 0.244 53.044 53.050 -0.417 0.000 0.890 98 N CB 0.483 38.769 38.487 -0.335 0.000 1.116 98 N HN 0.340 nan 8.380 nan 0.000 0.517 99 L N -0.210 120.888 121.223 -0.208 0.000 4.140 99 L HA -0.211 4.128 4.340 -0.002 0.000 0.406 99 L C -0.624 176.323 176.870 0.128 0.000 1.175 99 L CA 0.409 55.260 54.840 0.019 0.000 0.939 99 L CB -1.819 40.275 42.059 0.060 0.000 2.105 99 L HN 0.176 nan 8.230 nan 0.000 0.803 100 D N 1.528 121.939 120.400 0.019 0.000 2.443 100 D HA 0.193 4.832 4.640 -0.002 0.000 0.239 100 D C 0.903 177.251 176.300 0.080 0.000 1.136 100 D CA 0.525 54.551 54.000 0.044 0.000 0.879 100 D CB 0.432 41.216 40.800 -0.027 0.000 1.195 100 D HN 0.207 nan 8.370 nan 0.000 0.443 101 R N 1.511 122.024 120.500 0.022 0.000 3.332 101 R HA -0.209 4.130 4.340 -0.002 0.000 0.263 101 R C -0.771 175.557 176.300 0.046 0.000 1.053 101 R CA 0.454 56.489 56.100 -0.109 0.000 0.705 101 R CB -1.799 28.250 30.300 -0.417 0.000 1.166 101 R HN 0.428 nan 8.270 nan 0.000 0.427 102 D N 1.448 121.933 120.400 0.142 0.000 2.608 102 D HA 0.323 4.962 4.640 -0.002 0.000 0.224 102 D C -0.167 176.150 176.300 0.028 0.000 1.123 102 D CA 0.045 54.126 54.000 0.135 0.000 1.030 102 D CB 0.100 41.079 40.800 0.300 0.000 1.093 102 D HN 0.413 nan 8.370 nan 0.000 0.497 103 I N 0.811 121.346 120.570 -0.059 0.000 2.769 103 I HA 0.722 4.891 4.170 -0.002 0.000 0.298 103 I C -1.745 174.402 176.117 0.050 0.000 1.128 103 I CA -0.729 60.587 61.300 0.027 0.000 1.031 103 I CB 1.843 39.885 38.000 0.070 0.000 1.235 103 I HN 0.243 nan 8.210 nan 0.000 0.423 104 A N 7.100 130.058 122.820 0.230 0.000 2.540 104 A HA 0.705 5.024 4.320 -0.002 0.000 0.297 104 A C -2.021 175.811 177.584 0.414 0.000 1.056 104 A CA -0.473 51.777 52.037 0.356 0.000 0.700 104 A CB 1.354 20.448 19.000 0.157 0.000 1.280 104 A HN 0.619 nan 8.150 nan 0.000 0.398 105 L N 1.782 123.317 121.223 0.519 0.000 2.334 105 L HA 0.747 5.086 4.340 -0.002 0.000 0.272 105 L C -0.257 176.914 176.870 0.502 0.000 1.020 105 L CA -0.474 54.631 54.840 0.441 0.000 0.812 105 L CB 1.919 44.152 42.059 0.291 0.000 1.264 105 L HN 0.759 nan 8.230 nan 0.000 0.439 106 M N 2.794 122.654 119.600 0.433 0.000 2.263 106 M HA 0.378 4.857 4.480 -0.002 0.000 0.295 106 M C -0.842 175.502 176.300 0.073 0.000 1.028 106 M CA -0.510 54.949 55.300 0.264 0.000 0.921 106 M CB 2.354 35.048 32.600 0.156 0.000 1.601 106 M HN 0.357 nan 8.290 nan 0.000 0.440 107 K N 4.419 124.722 120.400 -0.162 0.000 2.262 107 K HA 0.514 4.833 4.320 -0.002 0.000 0.282 107 K C -0.918 175.478 176.600 -0.339 0.000 1.066 107 K CA -0.386 55.521 56.287 -0.634 0.000 0.901 107 K CB 0.769 32.761 32.500 -0.847 0.000 1.089 107 K HN 0.754 nan 8.250 nan 0.000 0.476 108 L N 4.438 125.473 121.223 -0.313 0.000 2.467 108 L HA 0.052 4.391 4.340 -0.002 0.000 0.270 108 L C 1.647 178.416 176.870 -0.169 0.000 1.205 108 L CA 0.016 54.755 54.840 -0.168 0.000 0.828 108 L CB 0.498 42.495 42.059 -0.104 0.000 1.101 108 L HN 0.713 nan 8.230 nan 0.000 0.479 109 K N 1.149 121.487 120.400 -0.104 0.000 2.057 109 K HA -0.019 4.300 4.320 -0.002 0.000 0.206 109 K C -0.002 176.551 176.600 -0.079 0.000 1.050 109 K CA 1.319 57.555 56.287 -0.085 0.000 0.935 109 K CB 0.173 32.639 32.500 -0.056 0.000 0.715 109 K HN 0.500 nan 8.250 nan 0.000 0.439 110 K N 0.677 121.035 120.400 -0.070 0.000 2.422 110 K HA 0.323 4.642 4.320 -0.002 0.000 0.251 110 K C -2.772 173.787 176.600 -0.068 0.000 0.933 110 K CA -2.167 54.082 56.287 -0.063 0.000 0.798 110 K CB 1.970 34.444 32.500 -0.045 0.000 1.238 110 K HN -0.206 nan 8.250 nan 0.000 0.428 111 P HA -0.010 nan 4.420 nan 0.000 0.268 111 P C -0.596 176.650 177.300 -0.089 0.000 1.208 111 P CA -0.412 62.633 63.100 -0.092 0.000 0.777 111 P CB 0.621 32.253 31.700 -0.113 0.000 0.875 112 V N 1.634 121.492 119.914 -0.093 0.000 2.713 112 V HA 0.617 4.736 4.120 -0.002 0.000 0.307 112 V C -0.248 175.738 176.094 -0.180 0.000 1.052 112 V CA -0.828 61.437 62.300 -0.058 0.000 0.967 112 V CB 1.431 33.288 31.823 0.056 0.000 1.019 112 V HN 0.679 nan 8.190 nan 0.000 0.459 113 A N 5.626 128.400 122.820 -0.076 0.000 2.269 113 A HA 0.647 4.966 4.320 -0.002 0.000 0.302 113 A C -0.427 177.222 177.584 0.108 0.000 1.266 113 A CA -0.397 51.585 52.037 -0.091 0.000 0.894 113 A CB -0.145 18.843 19.000 -0.020 0.000 1.147 113 A HN 0.611 nan 8.150 nan 0.000 0.537 114 F N 1.964 121.956 119.950 0.071 0.000 2.589 114 F HA 0.364 4.890 4.527 -0.002 0.000 0.352 114 F C 1.424 177.284 175.800 0.099 0.000 1.168 114 F CA 0.522 58.584 58.000 0.103 0.000 1.353 114 F CB 0.495 39.573 39.000 0.129 0.000 1.116 114 F HN 0.782 nan 8.300 nan 0.000 0.608 115 S N -0.155 115.740 115.700 0.324 0.000 2.873 115 S HA 0.348 4.817 4.470 -0.002 0.000 0.303 115 S C 0.006 174.615 174.600 0.016 0.000 1.222 115 S CA -0.708 57.589 58.200 0.161 0.000 0.923 115 S CB 1.194 64.498 63.200 0.174 0.000 1.286 115 S HN 0.311 nan 8.310 nan 0.000 0.571 116 D N -0.120 120.185 120.400 -0.158 0.000 2.312 116 D HA 0.159 4.798 4.640 -0.002 0.000 0.211 116 D C 0.650 176.590 176.300 -0.600 0.000 0.964 116 D CA 1.191 54.915 54.000 -0.460 0.000 0.877 116 D CB -0.228 40.146 40.800 -0.709 0.000 0.924 116 D HN 0.547 nan 8.370 nan 0.000 0.515 117 Y N -0.536 119.754 120.300 -0.017 0.000 2.444 117 Y HA 0.358 4.907 4.550 -0.001 0.000 0.252 117 Y C 0.771 176.667 175.900 -0.007 0.000 1.091 117 Y CA -0.211 57.869 58.100 -0.034 0.000 1.276 117 Y CB 0.943 39.390 38.460 -0.022 0.000 1.170 117 Y HN -0.197 nan 8.280 nan 0.000 0.517 118 I N 0.690 121.363 120.570 0.172 0.000 2.420 118 I HA 0.327 4.496 4.170 -0.002 0.000 0.282 118 I C -1.145 175.052 176.117 0.133 0.000 1.019 118 I CA -0.424 60.983 61.300 0.178 0.000 1.130 118 I CB 1.126 39.282 38.000 0.259 0.000 1.262 118 I HN 0.043 nan 8.210 nan 0.000 0.454 119 H N 7.149 126.148 119.070 -0.117 0.000 2.974 119 H HA 0.503 5.058 4.556 -0.002 0.000 0.366 119 H C -2.892 172.354 175.328 -0.136 0.000 1.155 119 H CA -1.454 54.406 56.048 -0.312 0.000 1.186 119 H CB 3.034 32.701 29.762 -0.158 0.000 1.799 119 H HN 0.190 nan 8.280 nan 0.000 0.541 120 P HA 0.140 nan 4.420 nan 0.000 0.277 120 P C -0.821 176.418 177.300 -0.102 0.000 1.240 120 P CA -0.387 62.542 63.100 -0.284 0.000 0.798 120 P CB 1.367 32.835 31.700 -0.387 0.000 0.979 121 V N 2.537 122.367 119.914 -0.141 0.000 2.837 121 V HA 0.356 4.475 4.120 -0.002 0.000 0.310 121 V C -0.308 175.580 176.094 -0.344 0.000 1.059 121 V CA -0.493 61.498 62.300 -0.515 0.000 1.004 121 V CB 1.292 32.514 31.823 -1.002 0.000 1.045 121 V HN 0.676 nan 8.190 nan 0.000 0.465 122 C N 4.788 123.843 119.300 -0.409 0.000 2.382 122 C HA 0.571 5.030 4.460 -0.002 0.000 0.363 122 C C 0.093 175.016 174.990 -0.111 0.000 1.213 122 C CA -0.920 57.921 59.018 -0.295 0.000 2.363 122 C CB 0.357 27.775 27.740 -0.537 0.000 2.397 122 C HN 0.752 nan 8.230 nan 0.000 0.573 123 L N 3.379 124.627 121.223 0.041 0.000 2.309 123 L HA 0.432 4.771 4.340 -0.002 0.000 0.282 123 L C -1.896 175.171 176.870 0.328 0.000 1.036 123 L CA -1.330 53.608 54.840 0.163 0.000 0.806 123 L CB 1.499 43.625 42.059 0.112 0.000 1.220 123 L HN 0.489 nan 8.230 nan 0.000 0.429 124 P HA 0.167 nan 4.420 nan 0.000 0.274 124 P C -1.590 175.894 177.300 0.306 0.000 1.237 124 P CA -0.412 62.845 63.100 0.261 0.000 0.793 124 P CB 0.785 32.559 31.700 0.123 0.000 0.977 125 D N -1.467 118.992 120.400 0.099 0.000 2.506 125 D HA 0.524 5.163 4.640 -0.002 0.000 0.254 125 D C 1.600 177.782 176.300 -0.196 0.000 1.089 125 D CA -0.855 53.245 54.000 0.166 0.000 1.050 125 D CB 0.108 40.964 40.800 0.093 0.000 1.221 125 D HN 0.196 nan 8.370 nan 0.000 0.589 126 R N -0.381 120.070 120.500 -0.081 0.000 2.083 126 R HA -0.052 4.287 4.340 -0.002 0.000 0.237 126 R C 2.365 178.465 176.300 -0.333 0.000 1.137 126 R CA 2.869 58.782 56.100 -0.312 0.000 0.951 126 R CB -2.284 28.031 30.300 0.026 0.000 0.851 126 R HN 0.753 nan 8.270 nan 0.000 0.434 127 E N 0.356 120.435 120.200 -0.201 0.000 2.072 127 E HA -0.030 4.319 4.350 -0.002 0.000 0.191 127 E C 1.542 177.994 176.600 -0.248 0.000 0.985 127 E CA 0.896 57.185 56.400 -0.184 0.000 0.801 127 E CB -0.978 28.649 29.700 -0.120 0.000 0.750 127 E HN 0.603 nan 8.360 nan 0.000 0.452 128 T N 0.948 115.315 114.554 -0.311 0.000 2.793 128 T HA 0.365 4.714 4.350 -0.002 0.000 0.289 128 T C 0.960 175.426 174.700 -0.390 0.000 0.956 128 T CA 0.906 62.761 62.100 -0.409 0.000 1.177 128 T CB -0.059 68.440 68.868 -0.615 0.000 0.897 128 T HN 0.515 nan 8.240 nan 0.000 0.533 129 L N 1.697 122.851 121.223 -0.114 0.000 1.988 129 L HA -0.139 4.200 4.340 -0.002 0.000 0.490 129 L C 0.698 177.584 176.870 0.026 0.000 0.728 129 L CA 0.380 55.161 54.840 -0.098 0.000 3.008 129 L CB -0.983 40.958 42.059 -0.197 0.000 0.828 129 L HN 0.486 nan 8.230 nan 0.000 0.711 130 L N 2.853 124.024 121.223 -0.087 0.000 2.391 130 L HA 0.153 4.492 4.340 -0.002 0.000 0.249 130 L C 0.212 176.999 176.870 -0.138 0.000 1.308 130 L CA 0.684 55.416 54.840 -0.180 0.000 1.209 130 L CB -0.015 41.864 42.059 -0.300 0.000 1.401 130 L HN 0.200 nan 8.230 nan 0.000 0.416 131 Q N 1.608 121.366 119.800 -0.070 0.000 2.321 131 Q HA 0.524 4.863 4.340 -0.002 0.000 0.270 131 Q C -0.142 175.616 176.000 -0.403 0.000 1.032 131 Q CA -0.787 54.845 55.803 -0.285 0.000 0.784 131 Q CB 2.580 31.024 28.738 -0.490 0.000 1.264 131 Q HN 0.528 nan 8.270 nan 0.000 0.448 132 A N 1.240 123.868 122.820 -0.320 0.000 2.587 132 A HA 0.330 4.649 4.320 -0.002 0.000 0.235 132 A C 1.273 178.663 177.584 -0.324 0.000 1.044 132 A CA 1.408 53.281 52.037 -0.274 0.000 0.754 132 A CB -0.502 18.368 19.000 -0.217 0.000 0.968 132 A HN 1.125 nan 8.150 nan 0.000 0.509 133 G N 0.454 109.129 108.800 -0.210 0.000 2.254 133 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.225 133 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.225 133 G C 0.069 174.962 174.900 -0.012 0.000 1.003 133 G CA 0.292 45.303 45.100 -0.149 0.000 0.622 133 G HN 0.804 nan 8.290 nan 0.000 0.507 134 Y N 1.896 122.145 120.300 -0.085 0.000 2.309 134 Y HA 0.601 5.150 4.550 -0.002 0.000 0.327 134 Y C 1.107 176.973 175.900 -0.057 0.000 1.172 134 Y CA -0.956 57.100 58.100 -0.073 0.000 1.280 134 Y CB 0.759 39.165 38.460 -0.091 0.000 1.234 134 Y HN 0.103 nan 8.280 nan 0.000 0.512 135 K N 1.322 121.791 120.400 0.115 0.000 2.118 135 K HA 0.651 4.970 4.320 -0.002 0.000 0.267 135 K C 0.255 176.857 176.600 0.003 0.000 0.991 135 K CA -0.540 55.773 56.287 0.044 0.000 0.916 135 K CB 1.271 33.786 32.500 0.025 0.000 1.041 135 K HN 0.865 nan 8.250 nan 0.000 0.455 136 G N 0.918 109.664 108.800 -0.089 0.000 2.685 136 G HA2 0.539 4.498 3.960 -0.002 0.000 0.298 136 G HA3 0.539 4.498 3.960 -0.002 0.000 0.298 136 G C -1.409 173.150 174.900 -0.569 0.000 1.277 136 G CA -0.627 44.146 45.100 -0.544 0.000 0.986 136 G HN 0.504 nan 8.290 nan 0.000 0.487 137 R N -0.481 119.632 120.500 -0.645 0.000 2.621 137 R HA 0.653 4.992 4.340 -0.002 0.000 0.292 137 R C -1.530 174.587 176.300 -0.306 0.000 0.969 137 R CA -0.446 55.471 56.100 -0.305 0.000 0.887 137 R CB 2.188 32.444 30.300 -0.073 0.000 1.180 137 R HN 0.347 nan 8.270 nan 0.000 0.450 138 V N 2.482 122.329 119.914 -0.112 0.000 2.680 138 V HA 0.574 4.693 4.120 -0.002 0.000 0.309 138 V C -0.442 175.649 176.094 -0.005 0.000 1.052 138 V CA -0.716 61.600 62.300 0.025 0.000 0.908 138 V CB 2.053 33.989 31.823 0.188 0.000 1.001 138 V HN 1.000 nan 8.190 nan 0.000 0.431 139 T N 0.203 114.747 114.554 -0.018 0.000 2.909 139 T HA 0.944 5.293 4.350 -0.002 0.000 0.299 139 T C -0.198 174.389 174.700 -0.189 0.000 1.073 139 T CA -0.318 61.702 62.100 -0.134 0.000 0.999 139 T CB 2.070 70.818 68.868 -0.199 0.000 1.098 139 T HN 1.422 nan 8.240 nan 0.000 0.477 140 G N -0.007 108.596 108.800 -0.329 0.000 2.349 140 G HA2 0.447 4.406 3.960 -0.002 0.000 0.294 140 G HA3 0.447 4.406 3.960 -0.002 0.000 0.294 140 G C -1.469 173.180 174.900 -0.418 0.000 1.380 140 G CA -0.843 44.042 45.100 -0.358 0.000 0.811 140 G HN 0.647 nan 8.290 nan 0.000 0.519 141 W N 1.007 122.323 121.300 0.027 0.000 2.771 141 W HA 0.419 5.078 4.660 -0.002 0.000 0.412 141 W C 0.881 177.417 176.519 0.028 0.000 0.965 141 W CA -0.266 57.086 57.345 0.011 0.000 2.045 141 W CB 0.940 30.410 29.460 0.017 0.000 1.176 141 W HN 0.784 nan 8.180 nan 0.000 0.634 142 G N 1.277 110.194 108.800 0.195 0.000 2.580 142 G HA2 0.111 4.070 3.960 -0.002 0.000 0.278 142 G HA3 0.111 4.070 3.960 -0.002 0.000 0.278 142 G C 0.267 175.236 174.900 0.114 0.000 1.212 142 G CA -0.551 44.647 45.100 0.164 0.000 0.939 142 G HN -0.127 nan 8.290 nan 0.000 0.513 143 N N -0.623 118.156 118.700 0.132 0.000 2.232 143 N HA -0.069 4.670 4.740 -0.002 0.000 0.251 143 N C 1.241 176.779 175.510 0.046 0.000 1.242 143 N CA 0.107 53.219 53.050 0.104 0.000 0.837 143 N CB 0.824 39.484 38.487 0.288 0.000 1.079 143 N HN 0.349 nan 8.380 nan 0.000 0.461 144 L N 0.437 121.622 121.223 -0.063 0.000 2.529 144 L HA 0.140 4.479 4.340 -0.002 0.000 0.223 144 L C 0.529 177.399 176.870 -0.001 0.000 1.113 144 L CA 0.787 55.591 54.840 -0.059 0.000 0.861 144 L CB 0.014 41.987 42.059 -0.143 0.000 1.012 144 L HN 0.364 nan 8.230 nan 0.000 0.461 145 K N -0.580 119.863 120.400 0.071 0.000 2.523 145 K HA 0.108 4.427 4.320 -0.002 0.000 0.257 145 K C 0.231 177.033 176.600 0.338 0.000 0.932 145 K CA -0.386 56.020 56.287 0.198 0.000 0.812 145 K CB 2.715 35.360 32.500 0.241 0.000 1.326 145 K HN -0.196 nan 8.250 nan 0.000 0.433 146 E N 0.780 121.118 120.200 0.230 0.000 2.085 146 E HA -0.104 4.245 4.350 -0.002 0.000 0.194 146 E C -0.150 176.563 176.600 0.189 0.000 0.994 146 E CA 1.328 57.843 56.400 0.191 0.000 0.801 146 E CB 0.380 30.150 29.700 0.117 0.000 0.743 146 E HN 0.431 nan 8.360 nan 0.000 0.453 147 T N -1.460 113.224 114.554 0.216 0.000 2.864 147 T HA 0.492 4.841 4.350 -0.002 0.000 0.299 147 T C -1.568 173.309 174.700 0.295 0.000 1.166 147 T CA -0.246 61.910 62.100 0.092 0.000 1.007 147 T CB 1.330 70.191 68.868 -0.012 0.000 1.219 147 T HN 0.481 nan 8.240 nan 0.000 0.506 148 W N -0.351 120.962 121.300 0.021 0.000 4.126 148 W HA 0.470 5.129 4.660 -0.001 0.000 0.348 148 W C -1.249 175.280 176.519 0.017 0.000 3.319 148 W CA -0.525 56.832 57.345 0.019 0.000 1.324 148 W CB -0.149 29.324 29.460 0.021 0.000 1.883 148 W HN 0.396 nan 8.180 nan 0.000 0.473 149 K N 2.031 122.333 120.400 -0.164 0.000 2.366 149 K HA 0.338 4.657 4.320 -0.002 0.000 0.279 149 K C 0.970 177.257 176.600 -0.522 0.000 1.098 149 K CA 0.671 56.837 56.287 -0.201 0.000 1.087 149 K CB 0.038 32.480 32.500 -0.096 0.000 0.901 149 K HN 0.721 nan 8.250 nan 0.000 0.463 150 G N 2.454 110.698 108.800 -0.927 0.000 2.479 150 G HA2 -0.205 3.754 3.960 -0.002 0.000 0.220 150 G HA3 -0.205 3.754 3.960 -0.002 0.000 0.220 150 G C 0.340 174.841 174.900 -0.665 0.000 1.115 150 G CA 0.656 44.722 45.100 -1.723 0.000 0.757 150 G HN 0.612 nan 8.290 nan 0.000 0.560 151 Q N 0.503 120.129 119.800 -0.290 0.000 2.245 151 Q HA 0.452 4.791 4.340 -0.002 0.000 0.256 151 Q C -2.399 173.555 176.000 -0.076 0.000 0.942 151 Q CA -2.070 53.671 55.803 -0.103 0.000 0.896 151 Q CB 2.057 30.801 28.738 0.010 0.000 1.272 151 Q HN 0.052 nan 8.270 nan 0.000 0.442 152 P HA 0.124 nan 4.420 nan 0.000 0.274 152 P C -0.386 176.937 177.300 0.038 0.000 1.231 152 P CA -0.267 62.833 63.100 0.001 0.000 0.790 152 P CB 1.183 32.898 31.700 0.025 0.000 0.951 153 S N -0.217 115.490 115.700 0.011 0.000 2.425 153 S HA 0.088 4.557 4.470 -0.002 0.000 0.225 153 S C 1.099 175.710 174.600 0.018 0.000 1.024 153 S CA 0.467 58.673 58.200 0.009 0.000 0.951 153 S CB -0.400 62.796 63.200 -0.006 0.000 0.796 153 S HN 0.576 nan 8.310 nan 0.000 0.498 154 V N -1.338 118.577 119.914 0.001 0.000 3.160 154 V HA 0.681 4.800 4.120 -0.002 0.000 0.310 154 V C -0.475 175.596 176.094 -0.038 0.000 1.181 154 V CA -1.692 60.555 62.300 -0.088 0.000 1.047 154 V CB 1.149 32.737 31.823 -0.391 0.000 1.068 154 V HN 0.099 nan 8.190 nan 0.000 0.441 155 L N 2.419 123.549 121.223 -0.155 0.000 2.578 155 L HA 0.264 4.603 4.340 -0.002 0.000 0.279 155 L C 0.163 176.844 176.870 -0.315 0.000 1.227 155 L CA 1.177 55.730 54.840 -0.478 0.000 0.900 155 L CB -0.108 41.664 42.059 -0.479 0.000 1.144 155 L HN 0.817 nan 8.230 nan 0.000 0.496 156 Q N 3.951 123.563 119.800 -0.312 0.000 2.245 156 Q HA 0.558 4.897 4.340 -0.002 0.000 0.256 156 Q C -1.027 174.877 176.000 -0.160 0.000 0.942 156 Q CA -0.417 55.284 55.803 -0.171 0.000 0.896 156 Q CB 2.212 30.886 28.738 -0.107 0.000 1.272 156 Q HN 0.568 nan 8.270 nan 0.000 0.442 157 V N 2.141 121.997 119.914 -0.098 0.000 2.709 157 V HA 0.768 4.888 4.120 -0.002 0.000 0.308 157 V C -1.430 174.650 176.094 -0.024 0.000 1.062 157 V CA -0.639 61.616 62.300 -0.075 0.000 0.901 157 V CB 2.190 33.960 31.823 -0.088 0.000 1.003 157 V HN 0.532 nan 8.190 nan 0.000 0.425 158 V N 5.827 125.740 119.914 -0.002 0.000 2.925 158 V HA 0.699 4.818 4.120 -0.002 0.000 0.311 158 V C -1.197 174.920 176.094 0.038 0.000 1.104 158 V CA -0.688 61.637 62.300 0.042 0.000 0.954 158 V CB 2.714 34.584 31.823 0.079 0.000 1.022 158 V HN 0.991 nan 8.190 nan 0.000 0.427 159 N N 5.700 124.447 118.700 0.078 0.000 2.446 159 N HA 0.629 5.368 4.740 -0.002 0.000 0.265 159 N C -1.220 174.356 175.510 0.109 0.000 0.975 159 N CA -0.152 52.933 53.050 0.058 0.000 0.928 159 N CB 1.635 40.169 38.487 0.078 0.000 1.160 159 N HN 0.548 nan 8.380 nan 0.000 0.495 160 L N 2.773 124.010 121.223 0.023 0.000 2.362 160 L HA 0.657 4.996 4.340 -0.002 0.000 0.271 160 L C -2.297 174.528 176.870 -0.075 0.000 1.002 160 L CA -1.985 52.828 54.840 -0.044 0.000 0.818 160 L CB 2.580 44.699 42.059 0.099 0.000 1.298 160 L HN 0.217 nan 8.230 nan 0.000 0.420 161 P HA 0.332 nan 4.420 nan 0.000 0.284 161 P C -0.649 176.589 177.300 -0.104 0.000 1.258 161 P CA -0.411 62.590 63.100 -0.164 0.000 0.824 161 P CB 1.212 32.747 31.700 -0.275 0.000 1.038 162 I N 1.128 121.652 120.570 -0.076 0.000 2.575 162 I HA 0.172 4.341 4.170 -0.002 0.000 0.285 162 I C 0.405 176.405 176.117 -0.195 0.000 1.085 162 I CA -0.523 60.689 61.300 -0.148 0.000 1.403 162 I CB 0.871 38.747 38.000 -0.205 0.000 1.409 162 I HN -0.011 nan 8.210 nan 0.000 0.557 163 V N 5.174 124.943 119.914 -0.242 0.000 2.547 163 V HA 0.170 4.289 4.120 -0.002 0.000 0.299 163 V C -0.266 175.681 176.094 -0.245 0.000 1.040 163 V CA -0.852 61.266 62.300 -0.303 0.000 0.913 163 V CB 1.838 33.327 31.823 -0.557 0.000 0.992 163 V HN 0.658 nan 8.190 nan 0.000 0.449 164 E N 3.487 123.564 120.200 -0.205 0.000 2.480 164 E HA 0.080 4.429 4.350 -0.002 0.000 0.258 164 E C 1.134 177.664 176.600 -0.117 0.000 0.984 164 E CA 0.176 56.490 56.400 -0.143 0.000 0.930 164 E CB 0.146 29.779 29.700 -0.112 0.000 0.936 164 E HN 0.376 nan 8.360 nan 0.000 0.466 165 R N 4.175 124.634 120.500 -0.068 0.000 2.162 165 R HA -0.223 4.116 4.340 -0.002 0.000 0.245 165 R C -0.752 175.551 176.300 0.005 0.000 1.129 165 R CA 2.342 58.435 56.100 -0.012 0.000 0.940 165 R CB -1.561 28.750 30.300 0.018 0.000 0.875 165 R HN 0.539 nan 8.270 nan 0.000 0.437 166 P HA -0.133 nan 4.420 nan 0.000 0.215 166 P C 1.640 178.948 177.300 0.015 0.000 1.157 166 P CA 1.304 64.411 63.100 0.012 0.000 0.874 166 P CB -0.218 31.482 31.700 0.000 0.000 0.790 167 V N 0.048 119.945 119.914 -0.028 0.000 2.332 167 V HA -0.302 3.817 4.120 -0.002 0.000 0.248 167 V C 2.804 178.885 176.094 -0.021 0.000 1.055 167 V CA 2.267 64.543 62.300 -0.041 0.000 1.038 167 V CB -1.644 30.099 31.823 -0.133 0.000 0.651 167 V HN 0.188 nan 8.190 nan 0.000 0.450 168 c N 0.123 118.686 118.600 -0.062 0.000 2.436 168 c HA -0.123 4.446 4.570 -0.002 0.000 0.277 168 c C 3.195 177.446 174.090 0.268 0.000 1.241 168 c CA 1.329 57.692 56.329 0.057 0.000 1.721 168 c CB -1.387 41.131 42.510 0.014 0.000 2.043 168 c HN 0.664 nan 8.230 nan 0.000 0.472 169 K N 0.745 121.260 120.400 0.191 0.000 2.074 169 K HA -0.236 4.083 4.320 -0.002 0.000 0.209 169 K C 1.416 178.110 176.600 0.157 0.000 1.048 169 K CA 2.293 58.685 56.287 0.176 0.000 0.926 169 K CB -1.031 31.538 32.500 0.114 0.000 0.713 169 K HN 0.599 nan 8.250 nan 0.000 0.444 170 D N 0.099 120.580 120.400 0.134 0.000 2.371 170 D HA -0.057 4.582 4.640 -0.002 0.000 0.221 170 D C 1.807 178.205 176.300 0.164 0.000 0.986 170 D CA 1.519 55.593 54.000 0.124 0.000 0.899 170 D CB 0.245 41.103 40.800 0.096 0.000 0.902 170 D HN 0.625 nan 8.370 nan 0.000 0.530 171 S N -1.120 114.722 115.700 0.237 0.000 2.535 171 S HA 0.081 4.550 4.470 -0.002 0.000 0.214 171 S C 0.770 175.524 174.600 0.256 0.000 0.980 171 S CA -0.185 58.180 58.200 0.276 0.000 0.907 171 S CB 0.434 63.886 63.200 0.420 0.000 0.790 171 S HN -0.078 nan 8.310 nan 0.000 0.510 172 T N 0.373 115.066 114.554 0.232 0.000 2.903 172 T HA 0.684 5.033 4.350 -0.002 0.000 0.299 172 T C 0.867 175.623 174.700 0.093 0.000 1.093 172 T CA -0.436 61.771 62.100 0.178 0.000 1.002 172 T CB 1.854 70.845 68.868 0.204 0.000 1.127 172 T HN 0.164 nan 8.240 nan 0.000 0.488 173 R N 0.790 121.318 120.500 0.048 0.000 2.275 173 R HA 0.368 4.707 4.340 -0.002 0.000 0.199 173 R C 0.989 177.270 176.300 -0.031 0.000 0.989 173 R CA 0.506 56.612 56.100 0.010 0.000 1.016 173 R CB -0.870 29.428 30.300 -0.003 0.000 0.918 173 R HN 0.767 nan 8.270 nan 0.000 0.473 174 I N 1.076 121.610 120.570 -0.060 0.000 2.754 174 I HA 0.121 4.290 4.170 -0.002 0.000 0.285 174 I C 0.738 176.791 176.117 -0.106 0.000 1.166 174 I CA -0.375 60.831 61.300 -0.157 0.000 1.417 174 I CB 1.046 38.829 38.000 -0.362 0.000 1.382 174 I HN 0.262 nan 8.210 nan 0.000 0.588 175 R N 6.888 127.308 120.500 -0.133 0.000 2.248 175 R HA 0.321 4.660 4.340 -0.002 0.000 0.337 175 R C -0.336 175.930 176.300 -0.056 0.000 1.085 175 R CA -0.380 55.675 56.100 -0.075 0.000 0.934 175 R CB 0.188 30.440 30.300 -0.079 0.000 1.034 175 R HN 0.616 nan 8.270 nan 0.000 0.465 176 I N 1.720 122.300 120.570 0.017 0.000 2.440 176 I HA 0.414 4.583 4.170 -0.002 0.000 0.294 176 I C 0.236 176.409 176.117 0.093 0.000 0.995 176 I CA -0.551 60.802 61.300 0.089 0.000 1.306 176 I CB 1.824 39.939 38.000 0.190 0.000 1.407 176 I HN 0.541 nan 8.210 nan 0.000 0.501 177 T N 0.638 115.259 114.554 0.112 0.000 2.876 177 T HA 0.333 4.682 4.350 -0.002 0.000 0.277 177 T C 0.442 175.209 174.700 0.111 0.000 0.997 177 T CA -0.385 61.764 62.100 0.083 0.000 0.966 177 T CB 1.335 70.232 68.868 0.048 0.000 1.312 177 T HN 0.641 nan 8.240 nan 0.000 0.598 178 D N 0.311 120.751 120.400 0.067 0.000 2.349 178 D HA 0.142 4.781 4.640 -0.002 0.000 0.224 178 D C 0.726 177.050 176.300 0.040 0.000 1.029 178 D CA 0.239 54.267 54.000 0.048 0.000 0.879 178 D CB -0.149 40.649 40.800 -0.002 0.000 0.906 178 D HN 0.396 nan 8.370 nan 0.000 0.528 179 N N -0.242 118.512 118.700 0.090 0.000 2.268 179 N HA 0.147 4.886 4.740 -0.002 0.000 0.204 179 N C 0.118 175.772 175.510 0.242 0.000 1.124 179 N CA 0.180 53.307 53.050 0.128 0.000 0.838 179 N CB 0.584 39.108 38.487 0.061 0.000 0.994 179 N HN 0.249 nan 8.380 nan 0.000 0.489 180 M N -0.069 119.703 119.600 0.285 0.000 2.691 180 M HA 0.538 5.017 4.480 -0.002 0.000 0.293 180 M C -1.290 175.238 176.300 0.380 0.000 1.259 180 M CA -1.113 54.366 55.300 0.299 0.000 0.827 180 M CB 2.624 35.444 32.600 0.367 0.000 1.753 180 M HN -0.045 nan 8.290 nan 0.000 0.465 181 F N -0.001 120.055 119.950 0.176 0.000 2.678 181 F HA 0.778 5.305 4.527 -0.001 0.000 0.308 181 F C -1.464 174.213 175.800 -0.206 0.000 1.118 181 F CA -1.690 56.304 58.000 -0.009 0.000 0.959 181 F CB 0.616 39.568 39.000 -0.080 0.000 1.305 181 F HN 0.886 nan 8.300 nan 0.000 0.443 182 c N 2.441 120.994 118.600 -0.078 0.000 2.667 182 c HA 1.045 5.614 4.570 -0.002 0.000 0.323 182 c C -0.576 173.388 174.090 -0.210 0.000 1.214 182 c CA 0.142 56.200 56.329 -0.451 0.000 1.721 182 c CB 0.731 42.549 42.510 -1.154 0.000 2.275 182 c HN 1.765 nan 8.230 nan 0.000 0.491 183 A N 1.710 124.440 122.820 -0.149 0.000 2.520 183 A HA 0.750 5.069 4.320 -0.002 0.000 0.298 183 A C -1.459 176.191 177.584 0.110 0.000 1.051 183 A CA -0.500 51.501 52.037 -0.059 0.000 0.690 183 A CB 0.650 19.604 19.000 -0.078 0.000 1.281 183 A HN 0.919 nan 8.150 nan 0.000 0.402 184 Y N 0.757 121.177 120.300 0.199 0.000 2.299 184 Y HA 0.309 4.858 4.550 -0.002 0.000 0.335 184 Y C 1.443 177.474 175.900 0.219 0.000 1.287 184 Y CA 0.332 58.532 58.100 0.167 0.000 1.424 184 Y CB 1.067 39.584 38.460 0.096 0.000 1.326 184 Y HN 0.728 nan 8.280 nan 0.000 0.567 185 K N 0.702 121.315 120.400 0.354 0.000 2.374 185 K HA 0.091 4.410 4.320 -0.002 0.000 0.196 185 K C -0.180 176.522 176.600 0.169 0.000 1.023 185 K CA -0.023 56.432 56.287 0.280 0.000 1.103 185 K CB 0.145 32.788 32.500 0.239 0.000 0.848 185 K HN 0.541 nan 8.250 nan 0.000 0.528 186 K N 0.971 121.229 120.400 -0.236 0.000 1.982 186 K HA -0.276 4.043 4.320 -0.002 0.000 0.598 186 K C -0.288 176.101 176.600 -0.351 0.000 2.331 186 K CA 1.200 57.204 56.287 -0.472 0.000 1.739 186 K CB -0.068 31.805 32.500 -1.045 0.000 2.148 186 K HN 0.223 nan 8.250 nan 0.000 0.648 187 R N -0.636 119.713 120.500 -0.251 0.000 2.947 187 R HA 0.800 5.139 4.340 -0.002 0.000 0.253 187 R C -0.376 175.990 176.300 0.111 0.000 1.208 187 R CA -0.839 55.261 56.100 -0.000 0.000 1.012 187 R CB 1.998 32.303 30.300 0.008 0.000 1.267 187 R HN 0.869 nan 8.270 nan 0.000 0.473 188 G N 0.574 109.463 108.800 0.148 0.000 2.326 188 G HA2 0.288 4.247 3.960 -0.002 0.000 0.478 188 G HA3 0.288 4.247 3.960 -0.002 0.000 0.478 188 G C -2.063 172.942 174.900 0.176 0.000 1.551 188 G CA -0.599 44.599 45.100 0.163 0.000 0.946 188 G HN 0.592 nan 8.290 nan 0.000 0.671 189 D N -0.786 119.702 120.400 0.146 0.000 2.742 189 D HA 0.748 5.387 4.640 -0.002 0.000 0.262 189 D C 0.326 176.708 176.300 0.136 0.000 1.240 189 D CA 0.696 54.787 54.000 0.151 0.000 0.752 189 D CB 1.610 42.479 40.800 0.116 0.000 1.290 189 D HN 1.170 nan 8.370 nan 0.000 0.420 190 A N 0.074 122.980 122.820 0.143 0.000 2.246 190 A HA 0.782 5.102 4.320 -0.002 0.000 0.291 190 A C -0.014 177.628 177.584 0.096 0.000 1.103 190 A CA -0.106 52.002 52.037 0.118 0.000 0.844 190 A CB 0.740 19.804 19.000 0.107 0.000 1.136 190 A HN 0.721 nan 8.150 nan 0.000 0.500 191 c N -1.458 117.201 118.600 0.099 0.000 3.293 191 c HA 0.496 5.065 4.570 -0.002 0.000 0.362 191 c C -0.307 173.858 174.090 0.126 0.000 1.539 191 c CA -0.545 55.851 56.329 0.111 0.000 1.201 191 c CB 0.647 43.229 42.510 0.121 0.000 1.770 191 c HN 1.021 nan 8.230 nan 0.000 0.440 192 E N 0.268 120.552 120.200 0.140 0.000 2.558 192 E HA 0.340 4.689 4.350 -0.002 0.000 0.255 192 E C 1.044 177.741 176.600 0.160 0.000 0.968 192 E CA 1.605 58.094 56.400 0.150 0.000 0.939 192 E CB 0.010 29.798 29.700 0.145 0.000 0.921 192 E HN 1.472 nan 8.360 nan 0.000 0.477 193 G N 4.560 113.458 108.800 0.164 0.000 2.213 193 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.226 193 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.226 193 G C 0.616 175.626 174.900 0.183 0.000 0.992 193 G CA 0.231 45.435 45.100 0.174 0.000 0.632 193 G HN 0.647 nan 8.290 nan 0.000 0.511 194 D N 1.095 121.589 120.400 0.157 0.000 2.333 194 D HA 0.192 4.831 4.640 -0.002 0.000 0.208 194 D C 1.480 177.864 176.300 0.140 0.000 0.984 194 D CA 0.811 54.893 54.000 0.136 0.000 0.873 194 D CB 0.032 40.897 40.800 0.107 0.000 0.935 194 D HN 0.393 nan 8.370 nan 0.000 0.521 195 S N -0.368 115.428 115.700 0.160 0.000 2.571 195 S HA 0.257 4.726 4.470 -0.002 0.000 0.298 195 S C 1.630 176.298 174.600 0.114 0.000 1.280 195 S CA 0.826 59.133 58.200 0.177 0.000 1.052 195 S CB 0.776 64.164 63.200 0.314 0.000 0.799 195 S HN 0.476 nan 8.310 nan 0.000 0.501 196 G N 1.846 110.702 108.800 0.094 0.000 2.253 196 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.251 196 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.251 196 G C 0.474 175.455 174.900 0.134 0.000 0.998 196 G CA 0.041 45.189 45.100 0.079 0.000 0.621 196 G HN 1.203 nan 8.290 nan 0.000 0.524 197 G N 1.060 109.948 108.800 0.147 0.000 2.664 197 G HA2 0.496 4.455 3.960 -0.002 0.000 0.242 197 G HA3 0.496 4.455 3.960 -0.002 0.000 0.242 197 G C -1.994 173.031 174.900 0.208 0.000 1.225 197 G CA 0.118 45.315 45.100 0.162 0.000 0.849 197 G HN 0.410 nan 8.290 nan 0.000 0.581 198 P HA 0.316 nan 4.420 nan 0.000 0.290 198 P C -1.269 176.213 177.300 0.304 0.000 1.275 198 P CA -0.714 62.538 63.100 0.254 0.000 0.841 198 P CB 1.417 33.250 31.700 0.222 0.000 1.042 199 F N 4.523 124.593 119.950 0.200 0.000 2.308 199 F HA 0.387 4.913 4.527 -0.002 0.000 0.370 199 F C -0.408 175.479 175.800 0.145 0.000 1.100 199 F CA -0.744 57.353 58.000 0.161 0.000 1.108 199 F CB 0.419 39.469 39.000 0.084 0.000 1.293 199 F HN 0.145 nan 8.300 nan 0.000 0.478 200 V N 4.173 124.069 119.914 -0.030 0.000 3.093 200 V HA 0.695 4.814 4.120 -0.002 0.000 0.320 200 V C -0.485 175.657 176.094 0.080 0.000 1.093 200 V CA -0.911 61.452 62.300 0.105 0.000 1.016 200 V CB 2.049 33.965 31.823 0.154 0.000 1.096 200 V HN 0.760 nan 8.190 nan 0.000 0.452 201 M N 1.754 121.487 119.600 0.222 0.000 2.550 201 M HA 0.547 5.026 4.480 -0.002 0.000 0.292 201 M C -1.068 175.223 176.300 -0.014 0.000 1.221 201 M CA -0.621 54.740 55.300 0.102 0.000 0.873 201 M CB 2.797 35.419 32.600 0.036 0.000 1.727 201 M HN 0.814 nan 8.290 nan 0.000 0.459 202 K N 0.782 120.965 120.400 -0.362 0.000 2.235 202 K HA 0.466 4.785 4.320 -0.002 0.000 0.266 202 K C -0.169 176.207 176.600 -0.373 0.000 0.980 202 K CA -0.220 55.643 56.287 -0.706 0.000 0.849 202 K CB 1.959 33.724 32.500 -1.224 0.000 1.098 202 K HN 0.726 nan 8.250 nan 0.000 0.445 203 S N 3.299 118.865 115.700 -0.223 0.000 2.380 203 S HA -0.050 4.419 4.470 -0.002 0.000 0.168 203 S C 0.521 175.017 174.600 -0.173 0.000 1.296 203 S CA 1.089 59.197 58.200 -0.154 0.000 2.072 203 S CB -0.198 62.993 63.200 -0.015 0.000 0.456 203 S HN 1.021 nan 8.310 nan 0.000 0.388 204 N N 1.190 119.870 118.700 -0.034 0.000 2.539 204 N HA -0.319 4.420 4.740 -0.002 0.000 0.239 204 N C 0.078 175.573 175.510 -0.026 0.000 1.250 204 N CA 1.938 54.983 53.050 -0.008 0.000 0.833 204 N CB -2.433 36.075 38.487 0.036 0.000 1.216 204 N HN 0.706 nan 8.380 nan 0.000 0.588 205 N N -1.731 116.927 118.700 -0.070 0.000 2.713 205 N HA -0.227 4.512 4.740 -0.002 0.000 0.251 205 N C -1.077 174.347 175.510 -0.143 0.000 1.117 205 N CA 1.494 54.478 53.050 -0.111 0.000 0.770 205 N CB -0.655 37.796 38.487 -0.059 0.000 1.137 205 N HN 0.754 nan 8.380 nan 0.000 0.566 206 R N -0.979 119.441 120.500 -0.133 0.000 2.598 206 R HA 0.404 4.743 4.340 -0.002 0.000 0.279 206 R C -0.407 175.706 176.300 -0.313 0.000 0.984 206 R CA -0.582 55.413 56.100 -0.176 0.000 0.999 206 R CB 0.712 30.877 30.300 -0.224 0.000 1.114 206 R HN 0.087 nan 8.270 nan 0.000 0.493 207 W N 1.320 122.464 121.300 -0.260 0.000 2.376 207 W HA 0.305 4.964 4.660 -0.001 0.000 0.322 207 W C -0.460 175.725 176.519 -0.557 0.000 1.160 207 W CA 0.001 57.175 57.345 -0.286 0.000 1.218 207 W CB 0.621 29.865 29.460 -0.360 0.000 1.205 207 W HN 0.392 nan 8.180 nan 0.000 0.559 208 Y N 1.043 121.344 120.300 0.001 0.000 2.425 208 Y HA 0.201 4.750 4.550 -0.002 0.000 0.344 208 Y C 0.025 175.910 175.900 -0.024 0.000 0.969 208 Y CA -1.386 56.684 58.100 -0.049 0.000 1.052 208 Y CB 1.951 40.388 38.460 -0.039 0.000 1.215 208 Y HN 0.313 nan 8.280 nan 0.000 0.451 209 Q N 3.796 123.651 119.800 0.092 0.000 2.361 209 Q HA 0.203 4.542 4.340 -0.002 0.000 0.250 209 Q C 0.043 176.177 176.000 0.222 0.000 1.023 209 Q CA -0.355 55.516 55.803 0.114 0.000 0.915 209 Q CB 0.596 29.355 28.738 0.035 0.000 1.238 209 Q HN 0.766 nan 8.270 nan 0.000 0.451 210 M N 1.957 121.732 119.600 0.293 0.000 2.435 210 M HA 0.265 4.744 4.480 -0.002 0.000 0.265 210 M C 0.762 177.281 176.300 0.366 0.000 1.104 210 M CA 0.574 56.037 55.300 0.271 0.000 1.140 210 M CB 0.072 32.774 32.600 0.169 0.000 1.372 210 M HN 0.589 nan 8.290 nan 0.000 0.456 211 G N 0.261 109.325 108.800 0.439 0.000 2.687 211 G HA2 0.718 4.677 3.960 -0.002 0.000 0.291 211 G HA3 0.718 4.677 3.960 -0.002 0.000 0.291 211 G C -1.510 173.583 174.900 0.321 0.000 1.420 211 G CA -0.683 44.605 45.100 0.313 0.000 0.796 211 G HN 0.125 nan 8.290 nan 0.000 0.485 212 I N 0.519 121.232 120.570 0.238 0.000 2.498 212 I HA 0.274 4.443 4.170 -0.002 0.000 0.290 212 I C -0.024 176.183 176.117 0.150 0.000 1.032 212 I CA -1.101 60.333 61.300 0.224 0.000 1.073 212 I CB 2.332 40.428 38.000 0.161 0.000 1.251 212 I HN 0.130 nan 8.210 nan 0.000 0.426 213 V N 5.161 125.162 119.914 0.144 0.000 2.441 213 V HA -0.072 4.047 4.120 -0.002 0.000 0.279 213 V C 0.921 176.985 176.094 -0.049 0.000 0.990 213 V CA 0.767 63.009 62.300 -0.096 0.000 1.116 213 V CB 0.317 32.166 31.823 0.043 0.000 0.977 213 V HN 0.965 nan 8.190 nan 0.000 0.470 214 S N 5.709 121.278 115.700 -0.217 0.000 2.696 214 S HA 0.367 4.836 4.470 -0.002 0.000 0.172 214 S C 0.209 174.866 174.600 0.094 0.000 0.767 214 S CA 0.029 58.255 58.200 0.043 0.000 0.856 214 S CB 0.420 63.649 63.200 0.048 0.000 0.782 214 S HN 0.869 nan 8.310 nan 0.000 0.582 215 W N -0.047 121.199 121.300 -0.089 0.000 3.098 215 W HA 0.686 5.345 4.660 -0.002 0.000 0.367 215 W C -0.309 176.220 176.519 0.016 0.000 1.163 215 W CA -0.470 56.823 57.345 -0.086 0.000 1.113 215 W CB 0.410 29.794 29.460 -0.127 0.000 1.501 215 W HN 0.673 nan 8.180 nan 0.000 0.598 216 G N 0.111 109.162 108.800 0.417 0.000 2.342 216 G HA2 0.408 4.367 3.960 -0.002 0.000 0.297 216 G HA3 0.408 4.367 3.960 -0.002 0.000 0.297 216 G C -2.087 173.033 174.900 0.366 0.000 1.313 216 G CA -0.878 44.389 45.100 0.279 0.000 0.830 216 G HN 0.522 nan 8.290 nan 0.000 0.506 220 c N 0.892 119.541 118.600 0.081 0.000 3.290 220 c HA 0.820 5.389 4.570 -0.002 0.000 0.206 220 c C 0.225 174.357 174.090 0.071 0.000 1.639 220 c CA -0.507 55.873 56.329 0.084 0.000 1.408 220 c CB -1.560 41.012 42.510 0.105 0.000 2.197 220 c HN 0.584 nan 8.230 nan 0.000 0.508 221 R N 0.308 120.812 120.500 0.007 0.000 3.197 221 R HA 0.153 4.492 4.340 -0.002 0.000 0.261 221 R C -2.170 174.096 176.300 -0.056 0.000 1.015 221 R CA -0.667 55.428 56.100 -0.009 0.000 0.949 221 R CB 0.730 31.031 30.300 0.003 0.000 1.256 221 R HN 0.210 nan 8.270 nan 0.000 0.514 222 D N 0.457 120.832 120.400 -0.042 0.000 2.345 222 D HA 0.275 4.914 4.640 -0.002 0.000 0.247 222 D C 1.297 177.541 176.300 -0.093 0.000 1.108 222 D CA 1.556 55.518 54.000 -0.064 0.000 0.894 222 D CB 1.236 42.023 40.800 -0.022 0.000 1.203 222 D HN 0.769 nan 8.370 nan 0.000 0.430 223 G N 1.394 110.097 108.800 -0.162 0.000 2.148 223 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.254 223 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.254 223 G C 0.257 175.024 174.900 -0.222 0.000 0.981 223 G CA 0.216 45.233 45.100 -0.138 0.000 0.670 223 G HN 0.405 nan 8.290 nan 0.000 0.528 224 K N -0.914 119.223 120.400 -0.438 0.000 2.435 224 K HA 0.736 5.055 4.320 -0.002 0.000 0.251 224 K C -0.965 175.213 176.600 -0.704 0.000 0.954 224 K CA -0.650 55.443 56.287 -0.323 0.000 0.820 224 K CB 2.006 34.463 32.500 -0.072 0.000 1.292 224 K HN 0.177 nan 8.250 nan 0.000 0.436 225 Y N -1.479 118.850 120.300 0.048 0.000 2.609 225 Y HA 0.473 5.022 4.550 -0.001 0.000 0.342 225 Y C 0.743 176.554 175.900 -0.148 0.000 1.058 225 Y CA -1.215 56.845 58.100 -0.068 0.000 1.055 225 Y CB 1.671 40.013 38.460 -0.197 0.000 1.292 225 Y HN 0.679 nan 8.280 nan 0.000 0.476 226 G N 0.550 109.364 108.800 0.024 0.000 2.444 226 G HA2 0.487 4.446 3.960 -0.002 0.000 0.268 226 G HA3 0.487 4.446 3.960 -0.002 0.000 0.268 226 G C -1.614 173.025 174.900 -0.435 0.000 1.203 226 G CA -0.225 44.802 45.100 -0.121 0.000 0.835 226 G HN 0.325 nan 8.290 nan 0.000 0.543 227 F N 0.754 120.255 119.950 -0.749 0.000 2.444 227 F HA 0.464 4.990 4.527 -0.002 0.000 0.342 227 F C -0.495 174.768 175.800 -0.894 0.000 1.121 227 F CA -0.474 57.022 58.000 -0.839 0.000 0.997 227 F CB 1.789 39.881 39.000 -1.512 0.000 1.130 227 F HN 0.304 nan 8.300 nan 0.000 0.454 228 Y N 0.526 120.444 120.300 -0.637 0.000 2.446 228 Y HA 0.416 4.965 4.550 -0.001 0.000 0.338 228 Y C 0.515 176.104 175.900 -0.517 0.000 1.055 228 Y CA -1.426 56.264 58.100 -0.683 0.000 1.101 228 Y CB 1.374 39.064 38.460 -1.284 0.000 1.221 228 Y HN 0.392 nan 8.280 nan 0.000 0.460 229 T N 2.788 117.288 114.554 -0.090 0.000 2.870 229 T HA -0.037 4.312 4.350 -0.002 0.000 0.300 229 T C -0.145 174.615 174.700 0.101 0.000 0.989 229 T CA -0.117 62.015 62.100 0.053 0.000 1.139 229 T CB -0.234 68.701 68.868 0.113 0.000 0.920 229 T HN 0.453 nan 8.240 nan 0.000 0.537 230 H N 4.619 123.775 119.070 0.144 0.000 3.157 230 H HA 0.128 4.683 4.556 -0.002 0.000 0.260 230 H C 1.078 176.552 175.328 0.243 0.000 1.232 230 H CA -0.327 55.899 56.048 0.297 0.000 1.488 230 H CB 0.036 29.969 29.762 0.285 0.000 1.548 230 H HN 0.388 nan 8.280 nan 0.000 0.487 231 V N 5.957 126.071 119.914 0.332 0.000 2.332 231 V HA -0.289 3.830 4.120 -0.002 0.000 0.248 231 V C 2.183 178.483 176.094 0.344 0.000 1.055 231 V CA 1.776 64.258 62.300 0.302 0.000 1.038 231 V CB -0.856 31.120 31.823 0.255 0.000 0.651 231 V HN 0.589 nan 8.190 nan 0.000 0.450 232 F N 1.130 121.283 119.950 0.338 0.000 2.095 232 F HA -0.185 4.341 4.527 -0.002 0.000 0.298 232 F C 2.621 178.563 175.800 0.236 0.000 1.104 232 F CA 1.718 59.890 58.000 0.286 0.000 1.232 232 F CB -0.247 38.915 39.000 0.270 0.000 0.987 232 F HN -0.011 nan 8.300 nan 0.000 0.475 233 R N 0.303 120.932 120.500 0.215 0.000 2.096 233 R HA -0.084 4.255 4.340 -0.002 0.000 0.235 233 R C 2.038 178.309 176.300 -0.049 0.000 1.127 233 R CA 1.387 57.462 56.100 -0.040 0.000 0.968 233 R CB -0.996 29.262 30.300 -0.070 0.000 0.861 233 R HN 0.378 nan 8.270 nan 0.000 0.440 234 L N 0.499 121.752 121.223 0.050 0.000 2.591 234 L HA 0.091 4.430 4.340 -0.002 0.000 0.228 234 L C 2.228 179.177 176.870 0.132 0.000 1.133 234 L CA 0.156 55.056 54.840 0.101 0.000 0.880 234 L CB -0.187 41.948 42.059 0.126 0.000 1.033 234 L HN 0.027 nan 8.230 nan 0.000 0.450 235 K N 0.638 121.018 120.400 -0.034 0.000 2.074 235 K HA -0.216 4.103 4.320 -0.002 0.000 0.209 235 K C 2.072 178.647 176.600 -0.041 0.000 1.048 235 K CA 1.301 57.545 56.287 -0.072 0.000 0.926 235 K CB 0.174 32.537 32.500 -0.228 0.000 0.713 235 K HN 0.056 nan 8.250 nan 0.000 0.444 236 K N -0.204 120.173 120.400 -0.039 0.000 2.063 236 K HA -0.209 4.110 4.320 -0.002 0.000 0.208 236 K C 1.736 178.372 176.600 0.061 0.000 1.048 236 K CA 1.532 57.819 56.287 0.000 0.000 0.928 236 K CB -0.561 31.947 32.500 0.015 0.000 0.713 236 K HN 0.424 nan 8.250 nan 0.000 0.442 237 W N 1.745 123.036 121.300 -0.015 0.000 2.381 237 W HA -0.095 4.564 4.660 -0.002 0.000 0.301 237 W C 1.763 178.245 176.519 -0.061 0.000 1.205 237 W CA 1.137 58.486 57.345 0.006 0.000 1.285 237 W CB -0.345 29.202 29.460 0.145 0.000 1.133 237 W HN -0.067 nan 8.180 nan 0.000 0.521 238 I N 0.602 121.076 120.570 -0.160 0.000 2.163 238 I HA -0.397 3.772 4.170 -0.002 0.000 0.243 238 I C 2.690 178.500 176.117 -0.512 0.000 1.085 238 I CA 2.139 63.162 61.300 -0.461 0.000 1.347 238 I CB -0.949 36.947 38.000 -0.174 0.000 1.044 238 I HN 0.154 nan 8.210 nan 0.000 0.408 239 Q N 1.622 121.245 119.800 -0.296 0.000 2.077 239 Q HA -0.309 4.030 4.340 -0.002 0.000 0.206 239 Q C 2.257 178.084 176.000 -0.289 0.000 0.989 239 Q CA 2.321 57.974 55.803 -0.250 0.000 0.853 239 Q CB -0.126 28.536 28.738 -0.126 0.000 0.907 239 Q HN 0.387 nan 8.270 nan 0.000 0.418 240 K N -0.467 119.769 120.400 -0.274 0.000 2.057 240 K HA -0.143 4.176 4.320 -0.002 0.000 0.207 240 K C 1.898 178.276 176.600 -0.371 0.000 1.049 240 K CA 1.589 57.728 56.287 -0.247 0.000 0.931 240 K CB -0.064 32.348 32.500 -0.147 0.000 0.714 240 K HN 0.161 nan 8.250 nan 0.000 0.440 241 V N 1.706 121.234 119.914 -0.642 0.000 2.270 241 V HA -0.252 3.867 4.120 -0.002 0.000 0.245 241 V C 2.392 178.039 176.094 -0.745 0.000 1.043 241 V CA 1.833 63.665 62.300 -0.780 0.000 1.014 241 V CB -0.342 30.764 31.823 -1.196 0.000 0.645 241 V HN 0.346 nan 8.190 nan 0.000 0.447 242 I N -0.529 119.508 120.570 -0.888 0.000 2.163 242 I HA -0.245 3.924 4.170 -0.002 0.000 0.243 242 I C 1.290 177.156 176.117 -0.419 0.000 1.085 242 I CA 1.516 62.274 61.300 -0.903 0.000 1.347 242 I CB -0.328 37.057 38.000 -1.025 0.000 1.044 242 I HN 0.411 nan 8.210 nan 0.000 0.408 243 D N 0.994 121.203 120.400 -0.317 0.000 2.708 243 D HA -0.220 4.419 4.640 -0.002 0.000 0.236 243 D C 0.980 177.165 176.300 -0.192 0.000 1.146 243 D CA 0.553 54.446 54.000 -0.178 0.000 0.662 243 D CB -0.643 40.096 40.800 -0.101 0.000 1.059 243 D HN 0.525 nan 8.370 nan 0.000 0.428 244 Q N -1.515 118.071 119.800 -0.356 0.000 2.585 244 Q HA -0.163 4.176 4.340 -0.002 0.000 0.219 244 Q C 1.116 176.700 176.000 -0.692 0.000 0.984 244 Q CA 0.946 56.398 55.803 -0.585 0.000 0.915 244 Q CB 0.003 28.154 28.738 -0.979 0.000 0.967 244 Q HN 0.494 nan 8.270 nan 0.000 0.530 245 F N -1.813 118.124 119.950 -0.022 0.000 2.781 245 F HA 0.390 4.916 4.527 -0.001 0.000 0.322 245 F C 0.806 176.603 175.800 -0.005 0.000 1.108 245 F CA -0.063 57.931 58.000 -0.009 0.000 1.179 245 F CB 1.441 40.434 39.000 -0.012 0.000 1.072 245 F HN -0.087 nan 8.300 nan 0.000 0.545 246 G N 0.000 108.870 108.800 0.116 0.000 5.446 246 G HA2 0.000 3.959 3.960 -0.002 0.000 0.244 246 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 246 G CA 0.000 nan 45.100 nan 0.000 0.502 246 G HN 0.000 nan 8.290 nan 0.000 0.925