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 3edx_1_B DATA FIRST_RESID 16 DATA SEQUENCE IVEGWDAEKG IAPWQVMLFR SPQELLcGAS LISDRWVLTA AHcITENDLL DATA SEQUENCE VRIGKHSRTR YRNVEKISML EKIYVHPRYN WENLDRDIAL LKLKKPVPFS DATA SEQUENCE DYIHPVCLPD KQTLLRAGYK GRVTGWGNLR ETWEIQPSVL QVVNLPIVER DATA SEQUENCE PVcKASTRIR ITDNMFcAFK KRGDAcEGDS GGPFVMKSNN RWYQMGIVSA DATA SEQUENCE GAXGcRKGKY GFYTHVFRLK RWIQKVIDQF 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 0.000 176.098 176.117 -0.031 0.000 1.063 16 I CA 0.000 61.269 61.300 -0.052 0.000 1.566 16 I CB 0.000 37.929 38.000 -0.118 0.000 1.214 17 V N 5.919 125.834 119.914 0.001 0.000 2.481 17 V HA 0.380 4.490 4.120 -0.017 0.000 0.286 17 V C 0.556 176.683 176.094 0.054 0.000 1.042 17 V CA -0.232 62.083 62.300 0.025 0.000 0.928 17 V CB 1.371 33.215 31.823 0.035 0.000 0.986 17 V HN 0.855 nan 8.190 nan 0.000 0.462 18 E N 1.602 121.839 120.200 0.062 0.000 2.476 18 E HA -0.182 4.158 4.350 -0.017 0.000 0.251 18 E C 0.412 177.104 176.600 0.154 0.000 1.130 18 E CA 1.068 57.530 56.400 0.104 0.000 0.736 18 E CB -1.295 28.467 29.700 0.103 0.000 1.298 18 E HN 1.000 nan 8.360 nan 0.000 0.400 19 G N -0.812 108.032 108.800 0.074 0.000 2.971 19 G HA2 0.711 4.661 3.960 -0.017 0.000 0.235 19 G HA3 0.711 4.661 3.960 -0.017 0.000 0.235 19 G C -0.508 174.493 174.900 0.168 0.000 1.351 19 G CA -0.219 44.848 45.100 -0.056 0.000 1.039 19 G HN 0.176 nan 8.290 nan 0.000 0.563 20 W N -1.608 119.694 121.300 0.004 0.000 3.029 20 W HA 0.644 5.295 4.660 -0.015 0.000 0.339 20 W C -1.434 175.072 176.519 -0.022 0.000 1.198 20 W CA -1.238 56.105 57.345 -0.003 0.000 1.148 20 W CB 0.506 29.970 29.460 0.007 0.000 1.451 20 W HN 0.373 nan 8.180 nan 0.000 0.564 21 D N 1.436 121.957 120.400 0.201 0.000 2.472 21 D HA 0.354 4.984 4.640 -0.017 0.000 0.237 21 D C 0.184 176.555 176.300 0.120 0.000 1.141 21 D CA 0.746 54.796 54.000 0.082 0.000 0.875 21 D CB 0.994 41.854 40.800 0.099 0.000 1.192 21 D HN 0.663 nan 8.370 nan 0.000 0.450 22 A N 2.641 125.467 122.820 0.010 0.000 2.354 22 A HA 0.269 4.579 4.320 -0.017 0.000 0.269 22 A C 0.188 177.899 177.584 0.213 0.000 1.109 22 A CA -0.559 51.510 52.037 0.054 0.000 0.800 22 A CB 0.350 19.305 19.000 -0.075 0.000 1.045 22 A HN 0.562 nan 8.150 nan 0.000 0.489 23 E N 1.463 121.750 120.200 0.145 0.000 2.366 23 E HA 0.150 4.490 4.350 -0.017 0.000 0.266 23 E C -0.463 176.162 176.600 0.042 0.000 1.051 23 E CA -0.322 56.141 56.400 0.104 0.000 0.884 23 E CB 0.713 30.450 29.700 0.063 0.000 1.006 23 E HN 0.516 nan 8.360 nan 0.000 0.417 24 K N 0.958 121.315 120.400 -0.072 0.000 2.491 24 K HA 0.002 4.312 4.320 -0.017 0.000 0.279 24 K C 0.841 177.446 176.600 0.009 0.000 1.026 24 K CA 0.949 57.152 56.287 -0.139 0.000 1.070 24 K CB 0.199 32.593 32.500 -0.177 0.000 0.887 24 K HN 0.866 nan 8.250 nan 0.000 0.481 25 G N 3.096 111.921 108.800 0.041 0.000 2.155 25 G HA2 -0.293 3.657 3.960 -0.017 0.000 0.257 25 G HA3 -0.293 3.657 3.960 -0.017 0.000 0.257 25 G C 0.641 175.388 174.900 -0.254 0.000 0.983 25 G CA 0.341 45.396 45.100 -0.076 0.000 0.676 25 G HN 0.742 nan 8.290 nan 0.000 0.528 26 I N -0.020 120.411 120.570 -0.232 0.000 2.493 26 I HA 0.315 4.475 4.170 -0.017 0.000 0.254 26 I C 1.682 177.429 176.117 -0.616 0.000 1.160 26 I CA 1.642 62.753 61.300 -0.315 0.000 1.445 26 I CB 0.001 37.899 38.000 -0.171 0.000 1.086 26 I HN 0.509 nan 8.210 nan 0.000 0.433 27 A N 1.123 123.520 122.820 -0.705 0.000 3.317 27 A HA 0.422 4.732 4.320 -0.017 0.000 0.307 27 A C -1.759 175.097 177.584 -1.213 0.000 1.003 27 A CA -0.822 50.489 52.037 -1.209 0.000 0.882 27 A CB -0.219 18.409 19.000 -0.619 0.000 1.136 27 A HN 0.125 nan 8.150 nan 0.000 0.488 28 P HA -0.138 nan 4.420 nan 0.000 0.229 28 P C 0.528 177.621 177.300 -0.346 0.000 1.150 28 P CA 0.974 63.735 63.100 -0.566 0.000 0.765 28 P CB -0.231 31.229 31.700 -0.401 0.000 0.783 29 W N -1.006 120.289 121.300 -0.009 0.000 3.278 29 W HA 0.439 5.088 4.660 -0.018 0.000 0.308 29 W C 0.546 177.091 176.519 0.044 0.000 1.253 29 W CA -0.788 56.569 57.345 0.020 0.000 1.759 29 W CB -1.432 28.030 29.460 0.003 0.000 1.093 29 W HN -0.174 nan 8.180 nan 0.000 0.648 30 Q N 2.290 122.087 119.800 -0.005 0.000 2.311 30 Q HA 0.339 4.669 4.340 -0.017 0.000 0.272 30 Q C -0.789 175.330 176.000 0.199 0.000 1.012 30 Q CA 0.239 56.097 55.803 0.091 0.000 0.891 30 Q CB 0.980 29.644 28.738 -0.124 0.000 1.201 30 Q HN 0.119 nan 8.270 nan 0.000 0.391 31 V N 5.428 125.495 119.914 0.254 0.000 2.735 31 V HA 0.440 4.550 4.120 -0.017 0.000 0.310 31 V C -0.468 175.829 176.094 0.338 0.000 1.061 31 V CA -0.869 61.595 62.300 0.274 0.000 0.913 31 V CB 1.996 33.946 31.823 0.211 0.000 1.005 31 V HN 0.929 nan 8.190 nan 0.000 0.428 32 M N 4.497 124.260 119.600 0.272 0.000 2.101 32 M HA 0.512 4.983 4.480 -0.017 0.000 0.340 32 M C -1.345 174.998 176.300 0.072 0.000 1.057 32 M CA -0.880 54.504 55.300 0.141 0.000 0.984 32 M CB 1.084 33.595 32.600 -0.147 0.000 1.560 32 M HN 0.587 nan 8.290 nan 0.000 0.435 33 L N 6.407 127.643 121.223 0.021 0.000 2.295 33 L HA 0.453 4.783 4.340 -0.017 0.000 0.288 33 L C -1.680 175.152 176.870 -0.063 0.000 1.079 33 L CA 0.424 55.276 54.840 0.020 0.000 0.830 33 L CB 0.000 42.067 42.059 0.012 0.000 1.200 33 L HN 0.549 nan 8.230 nan 0.000 0.438 34 F N 4.502 124.438 119.950 -0.024 0.000 2.432 34 F HA 0.579 5.095 4.527 -0.018 0.000 0.329 34 F C 0.793 176.574 175.800 -0.030 0.000 1.076 34 F CA -0.322 57.653 58.000 -0.041 0.000 1.018 34 F CB 1.289 40.254 39.000 -0.059 0.000 1.201 34 F HN 0.519 nan 8.300 nan 0.000 0.489 35 R N 0.345 121.038 120.500 0.321 0.000 2.601 35 R HA 0.445 4.775 4.340 -0.017 0.000 0.220 35 R C -0.455 175.941 176.300 0.160 0.000 1.329 35 R CA -0.618 55.583 56.100 0.168 0.000 1.043 35 R CB 0.973 31.335 30.300 0.103 0.000 1.807 35 R HN 0.581 nan 8.270 nan 0.000 0.537 36 S N 1.627 117.337 115.700 0.018 0.000 2.481 36 S HA 0.242 4.702 4.470 -0.017 0.000 0.276 36 S C -1.951 172.658 174.600 0.015 0.000 1.247 36 S CA -1.397 56.809 58.200 0.011 0.000 1.053 36 S CB 0.479 63.678 63.200 -0.002 0.000 0.925 36 S HN 0.375 nan 8.310 nan 0.000 0.491 37 P HA 0.120 nan 4.420 nan 0.000 0.271 37 P C -0.928 176.403 177.300 0.051 0.000 1.218 37 P CA -0.415 62.700 63.100 0.025 0.000 0.780 37 P CB 0.424 32.138 31.700 0.022 0.000 0.901 38 Q N 1.962 121.789 119.800 0.046 0.000 2.244 38 Q HA 0.107 4.437 4.340 -0.017 0.000 0.278 38 Q C 0.226 176.350 176.000 0.207 0.000 1.093 38 Q CA 0.642 56.496 55.803 0.086 0.000 0.916 38 Q CB 0.155 28.881 28.738 -0.020 0.000 1.159 38 Q HN 0.526 nan 8.270 nan 0.000 0.384 39 E N 1.956 122.380 120.200 0.373 0.000 2.381 39 E HA 0.273 4.613 4.350 -0.017 0.000 0.286 39 E C -1.378 175.159 176.600 -0.105 0.000 0.960 39 E CA -0.829 55.715 56.400 0.240 0.000 0.793 39 E CB 0.772 30.512 29.700 0.067 0.000 1.225 39 E HN 0.420 nan 8.360 nan 0.000 0.420 40 L N 3.862 124.743 121.223 -0.571 0.000 2.513 40 L HA 0.099 4.429 4.340 -0.017 0.000 0.272 40 L C 0.079 176.697 176.870 -0.420 0.000 1.187 40 L CA 0.127 54.371 54.840 -0.993 0.000 0.895 40 L CB 0.520 42.144 42.059 -0.725 0.000 1.147 40 L HN 0.845 nan 8.230 nan 0.000 0.483 41 L N 4.337 125.353 121.223 -0.346 0.000 2.435 41 L HA 0.231 4.561 4.340 -0.017 0.000 0.195 41 L C 0.227 177.032 176.870 -0.109 0.000 1.072 41 L CA 0.314 55.059 54.840 -0.159 0.000 0.833 41 L CB 0.721 42.721 42.059 -0.100 0.000 1.081 41 L HN 0.688 nan 8.230 nan 0.000 0.485 42 c N -2.059 116.482 118.600 -0.100 0.000 3.316 42 c HA 0.696 5.256 4.570 -0.017 0.000 0.360 42 c C 0.269 174.371 174.090 0.021 0.000 1.560 42 c CA -0.638 55.667 56.329 -0.040 0.000 1.229 42 c CB 1.030 43.503 42.510 -0.061 0.000 1.823 42 c HN 0.452 nan 8.230 nan 0.000 0.440 43 G N -0.236 108.599 108.800 0.058 0.000 2.509 43 G HA2 0.896 4.846 3.960 -0.017 0.000 0.328 43 G HA3 0.896 4.846 3.960 -0.017 0.000 0.328 43 G C -0.922 174.043 174.900 0.107 0.000 1.194 43 G CA 0.344 45.519 45.100 0.126 0.000 0.967 43 G HN 1.595 nan 8.290 nan 0.000 0.488 44 A N -0.711 122.198 122.820 0.148 0.000 2.540 44 A HA 0.855 5.165 4.320 -0.017 0.000 0.291 44 A C -0.459 177.240 177.584 0.191 0.000 1.083 44 A CA 0.144 52.271 52.037 0.150 0.000 0.650 44 A CB 1.012 20.096 19.000 0.140 0.000 1.292 44 A HN 2.154 nan 8.150 nan 0.000 0.435 45 S N -0.672 115.148 115.700 0.201 0.000 2.564 45 S HA 0.703 5.163 4.470 -0.017 0.000 0.274 45 S C -1.315 173.428 174.600 0.238 0.000 1.124 45 S CA -0.579 57.767 58.200 0.243 0.000 0.869 45 S CB 1.464 64.802 63.200 0.229 0.000 1.105 45 S HN 1.711 nan 8.310 nan 0.000 0.472 46 L N 3.004 124.391 121.223 0.272 0.000 2.260 46 L HA 0.527 4.857 4.340 -0.017 0.000 0.289 46 L C 0.632 177.631 176.870 0.215 0.000 1.057 46 L CA -0.421 54.569 54.840 0.251 0.000 0.811 46 L CB 0.472 42.684 42.059 0.255 0.000 1.184 46 L HN 0.849 nan 8.230 nan 0.000 0.429 47 I N 1.094 121.786 120.570 0.203 0.000 3.968 47 I HA 0.388 4.548 4.170 -0.017 0.000 0.328 47 I C 0.354 176.567 176.117 0.159 0.000 1.290 47 I CA 0.227 61.614 61.300 0.145 0.000 1.163 47 I CB 0.022 38.101 38.000 0.131 0.000 1.024 47 I HN 0.597 nan 8.210 nan 0.000 0.413 48 S N 0.561 116.403 115.700 0.237 0.000 2.656 48 S HA 0.129 4.589 4.470 -0.017 0.000 0.265 48 S C -0.156 174.663 174.600 0.365 0.000 1.132 48 S CA -0.054 58.322 58.200 0.294 0.000 0.819 48 S CB 0.862 64.255 63.200 0.323 0.000 1.119 48 S HN 0.319 nan 8.310 nan 0.000 0.476 49 D N -0.155 120.470 120.400 0.374 0.000 2.363 49 D HA 0.088 4.718 4.640 -0.017 0.000 0.226 49 D C 1.011 177.351 176.300 0.067 0.000 1.020 49 D CA 0.193 54.309 54.000 0.192 0.000 0.892 49 D CB -0.116 40.560 40.800 -0.207 0.000 0.900 49 D HN 0.537 nan 8.370 nan 0.000 0.531 50 R N -1.682 118.870 120.500 0.086 0.000 2.568 50 R HA 0.168 4.498 4.340 -0.017 0.000 0.254 50 R C -0.378 175.770 176.300 -0.252 0.000 0.925 50 R CA -0.232 55.798 56.100 -0.116 0.000 1.025 50 R CB 0.598 30.781 30.300 -0.196 0.000 1.428 50 R HN 0.046 nan 8.270 nan 0.000 0.573 51 W N 0.737 122.100 121.300 0.104 0.000 2.666 51 W HA 0.550 5.203 4.660 -0.012 0.000 0.334 51 W C -0.504 176.086 176.519 0.119 0.000 1.051 51 W CA -0.677 56.732 57.345 0.106 0.000 1.224 51 W CB 1.786 31.302 29.460 0.094 0.000 1.405 51 W HN -0.372 nan 8.180 nan 0.000 0.513 52 V N 4.057 124.214 119.914 0.406 0.000 2.709 52 V HA 0.426 4.536 4.120 -0.017 0.000 0.308 52 V C -1.088 175.182 176.094 0.294 0.000 1.062 52 V CA -1.016 61.459 62.300 0.291 0.000 0.901 52 V CB 1.865 33.814 31.823 0.210 0.000 1.003 52 V HN 0.284 nan 8.190 nan 0.000 0.425 53 L N 3.522 124.889 121.223 0.241 0.000 2.325 53 L HA 0.909 5.239 4.340 -0.017 0.000 0.278 53 L C 0.039 177.014 176.870 0.175 0.000 1.023 53 L CA 0.811 55.783 54.840 0.220 0.000 0.811 53 L CB 1.830 44.009 42.059 0.199 0.000 1.249 53 L HN 0.904 nan 8.230 nan 0.000 0.431 54 T N 2.176 116.818 114.554 0.147 0.000 2.693 54 T HA 0.774 5.114 4.350 -0.017 0.000 0.304 54 T C -1.409 173.305 174.700 0.024 0.000 1.471 54 T CA -0.020 62.128 62.100 0.079 0.000 0.993 54 T CB 1.038 69.939 68.868 0.056 0.000 1.554 54 T HN 0.818 nan 8.240 nan 0.000 0.496 55 A N 0.773 123.551 122.820 -0.071 0.000 2.340 55 A HA 0.735 5.045 4.320 -0.017 0.000 0.268 55 A C 1.540 178.971 177.584 -0.256 0.000 1.100 55 A CA 0.339 52.279 52.037 -0.163 0.000 0.803 55 A CB 0.185 19.036 19.000 -0.249 0.000 1.043 55 A HN 1.262 nan 8.150 nan 0.000 0.488 56 A N 0.921 123.537 122.820 -0.339 0.000 1.898 56 A HA -0.141 4.169 4.320 -0.017 0.000 0.216 56 A C 1.810 179.127 177.584 -0.446 0.000 1.181 56 A CA 1.725 53.445 52.037 -0.530 0.000 0.620 56 A CB -1.053 17.253 19.000 -1.157 0.000 0.819 56 A HN 1.109 nan 8.150 nan 0.000 0.442 57 H N -1.673 117.216 119.070 -0.301 0.000 2.543 57 H HA -0.075 4.472 4.556 -0.015 0.000 0.286 57 H C 1.746 177.067 175.328 -0.011 0.000 1.037 57 H CA 1.355 57.403 56.048 -0.000 0.000 1.250 57 H CB -0.658 29.170 29.762 0.111 0.000 1.373 57 H HN 0.416 nan 8.280 nan 0.000 0.580 58 c N 0.683 118.987 118.600 -0.493 0.000 2.467 58 c HA 0.176 4.736 4.570 -0.017 0.000 0.279 58 c C 1.390 175.405 174.090 -0.125 0.000 1.347 58 c CA -0.328 55.815 56.329 -0.309 0.000 1.748 58 c CB -0.636 41.694 42.510 -0.301 0.000 1.977 58 c HN 0.323 nan 8.230 nan 0.000 0.501 59 I N 0.781 121.288 120.570 -0.103 0.000 2.797 59 I HA 0.277 4.437 4.170 -0.017 0.000 0.310 59 I C 0.985 177.093 176.117 -0.015 0.000 0.990 59 I CA 0.502 61.776 61.300 -0.044 0.000 1.228 59 I CB 1.062 39.047 38.000 -0.025 0.000 1.406 59 I HN 0.197 nan 8.210 nan 0.000 0.534 60 T N -0.472 114.073 114.554 -0.015 0.000 2.948 60 T HA 0.391 4.731 4.350 -0.017 0.000 0.285 60 T C 0.853 175.539 174.700 -0.023 0.000 1.019 60 T CA -0.561 61.526 62.100 -0.021 0.000 1.013 60 T CB 1.067 69.922 68.868 -0.021 0.000 1.117 60 T HN 0.471 nan 8.240 nan 0.000 0.533 61 E N 1.019 121.197 120.200 -0.037 0.000 2.164 61 E HA -0.226 4.114 4.350 -0.017 0.000 0.206 61 E C 1.743 178.328 176.600 -0.026 0.000 1.032 61 E CA 2.218 58.596 56.400 -0.038 0.000 0.832 61 E CB -0.645 29.023 29.700 -0.055 0.000 0.742 61 E HN 0.741 nan 8.360 nan 0.000 0.460 62 N N 0.289 118.975 118.700 -0.023 0.000 2.354 62 N HA -0.065 4.665 4.740 -0.017 0.000 0.179 62 N C 0.884 176.388 175.510 -0.010 0.000 1.021 62 N CA 0.999 54.038 53.050 -0.018 0.000 0.887 62 N CB 0.060 38.536 38.487 -0.019 0.000 0.974 62 N HN 0.127 nan 8.380 nan 0.000 0.437 63 D N 0.223 120.619 120.400 -0.007 0.000 2.178 63 D HA -0.033 4.597 4.640 -0.017 0.000 0.201 63 D C 0.389 176.696 176.300 0.013 0.000 0.980 63 D CA 0.985 54.985 54.000 0.000 0.000 0.842 63 D CB 0.035 40.833 40.800 -0.003 0.000 0.948 63 D HN 0.261 nan 8.370 nan 0.000 0.472 64 L N -1.592 119.641 121.223 0.016 0.000 2.322 64 L HA 0.653 4.983 4.340 -0.017 0.000 0.252 64 L C -0.769 176.124 176.870 0.038 0.000 1.055 64 L CA -1.505 53.358 54.840 0.039 0.000 0.849 64 L CB 0.903 42.988 42.059 0.043 0.000 1.446 64 L HN -0.172 nan 8.230 nan 0.000 0.416 65 L N -1.122 120.143 121.223 0.070 0.000 2.502 65 L HA 1.038 5.368 4.340 -0.017 0.000 0.253 65 L C -0.687 176.246 176.870 0.105 0.000 1.070 65 L CA -1.005 53.871 54.840 0.060 0.000 0.871 65 L CB 1.684 43.761 42.059 0.029 0.000 1.487 65 L HN 0.706 nan 8.230 nan 0.000 0.408 66 V N -1.486 118.479 119.914 0.085 0.000 2.680 66 V HA 0.779 4.889 4.120 -0.017 0.000 0.309 66 V C -0.637 175.515 176.094 0.098 0.000 1.052 66 V CA -0.688 61.678 62.300 0.110 0.000 0.908 66 V CB 1.827 33.708 31.823 0.098 0.000 1.001 66 V HN 0.869 nan 8.190 nan 0.000 0.431 67 R N 4.218 124.792 120.500 0.122 0.000 2.393 67 R HA 0.714 5.044 4.340 -0.017 0.000 0.315 67 R C -1.196 175.156 176.300 0.088 0.000 0.952 67 R CA -0.539 55.602 56.100 0.069 0.000 0.842 67 R CB 2.132 32.467 30.300 0.059 0.000 1.163 67 R HN 0.784 nan 8.270 nan 0.000 0.450 68 I N 0.249 120.864 120.570 0.075 0.000 2.530 68 I HA 0.354 4.514 4.170 -0.017 0.000 0.297 68 I C 1.036 177.212 176.117 0.098 0.000 1.011 68 I CA -0.422 60.947 61.300 0.115 0.000 1.107 68 I CB 2.068 40.144 38.000 0.126 0.000 1.285 68 I HN 0.896 nan 8.210 nan 0.000 0.436 69 G N 3.480 112.358 108.800 0.131 0.000 2.141 69 G HA2 -0.221 3.729 3.960 -0.017 0.000 0.242 69 G HA3 -0.221 3.729 3.960 -0.017 0.000 0.242 69 G C 0.212 175.172 174.900 0.100 0.000 0.982 69 G CA -0.285 44.891 45.100 0.126 0.000 0.662 69 G HN 0.590 nan 8.290 nan 0.000 0.527 70 K N -1.254 119.237 120.400 0.152 0.000 2.138 70 K HA 0.553 4.863 4.320 -0.017 0.000 0.251 70 K C 0.816 177.639 176.600 0.371 0.000 1.015 70 K CA 0.043 56.433 56.287 0.172 0.000 0.917 70 K CB 0.863 33.401 32.500 0.063 0.000 1.021 70 K HN 0.348 nan 8.250 nan 0.000 0.485 71 H N -0.828 118.361 119.070 0.199 0.000 1.855 71 H HA 0.100 4.646 4.556 -0.017 0.000 0.178 71 H C 0.011 175.523 175.328 0.307 0.000 0.923 71 H CA 0.205 56.384 56.048 0.218 0.000 0.993 71 H CB 0.222 30.008 29.762 0.040 0.000 1.078 71 H HN 0.473 nan 8.280 nan 0.000 0.349 72 S N 0.727 116.534 115.700 0.179 0.000 2.562 72 S HA 0.070 4.530 4.470 -0.017 0.000 0.281 72 S C 1.409 175.984 174.600 -0.043 0.000 1.333 72 S CA -0.157 58.079 58.200 0.061 0.000 1.052 72 S CB 0.806 64.031 63.200 0.042 0.000 0.884 72 S HN 0.538 nan 8.310 nan 0.000 0.506 73 R N 1.988 122.443 120.500 -0.074 0.000 2.153 73 R HA -0.006 4.324 4.340 -0.017 0.000 0.218 73 R C 1.901 178.068 176.300 -0.222 0.000 1.072 73 R CA 1.701 57.607 56.100 -0.323 0.000 0.990 73 R CB -0.351 29.893 30.300 -0.094 0.000 0.889 73 R HN 0.765 nan 8.270 nan 0.000 0.452 74 T N -0.969 113.534 114.554 -0.086 0.000 3.138 74 T HA 0.208 4.548 4.350 -0.017 0.000 0.245 74 T C 0.175 174.870 174.700 -0.009 0.000 0.982 74 T CA -0.362 61.723 62.100 -0.026 0.000 1.134 74 T CB 0.164 69.031 68.868 -0.002 0.000 1.032 74 T HN 0.097 nan 8.240 nan 0.000 0.442 75 R N 1.349 121.850 120.500 0.002 0.000 2.583 75 R HA 0.115 4.445 4.340 -0.017 0.000 0.274 75 R C -0.014 176.309 176.300 0.039 0.000 0.998 75 R CA -0.028 56.090 56.100 0.032 0.000 1.081 75 R CB 0.157 30.478 30.300 0.034 0.000 0.940 75 R HN 0.438 nan 8.270 nan 0.000 0.413 76 Y N 2.172 122.442 120.300 -0.050 0.000 2.433 76 Y HA 0.262 4.798 4.550 -0.023 0.000 0.411 76 Y C 0.296 176.170 175.900 -0.043 0.000 1.383 76 Y CA -0.182 57.883 58.100 -0.059 0.000 1.896 76 Y CB 0.698 39.117 38.460 -0.068 0.000 1.750 76 Y HN 0.498 nan 8.280 nan 0.000 0.627 77 R N 0.786 121.364 120.500 0.131 0.000 2.634 77 R HA 0.180 4.510 4.340 -0.017 0.000 0.263 77 R C -0.961 175.382 176.300 0.072 0.000 1.060 77 R CA -0.340 55.909 56.100 0.248 0.000 0.898 77 R CB 0.900 31.365 30.300 0.276 0.000 1.253 77 R HN 0.899 nan 8.270 nan 0.000 0.461 78 N N 0.916 119.662 118.700 0.077 0.000 2.741 78 N HA -0.174 4.556 4.740 -0.017 0.000 0.251 78 N C -0.095 175.431 175.510 0.026 0.000 1.112 78 N CA 1.375 54.454 53.050 0.049 0.000 0.750 78 N CB -0.618 37.897 38.487 0.047 0.000 1.119 78 N HN 0.377 nan 8.380 nan 0.000 0.561 79 V N -1.135 118.767 119.914 -0.021 0.000 3.359 79 V HA 0.026 4.136 4.120 -0.017 0.000 0.204 79 V C 0.747 176.823 176.094 -0.029 0.000 1.410 79 V CA 0.775 63.054 62.300 -0.034 0.000 1.303 79 V CB 0.413 32.116 31.823 -0.200 0.000 1.198 79 V HN 0.368 nan 8.190 nan 0.000 0.531 80 E N 1.607 121.733 120.200 -0.124 0.000 2.318 80 E HA 0.492 4.832 4.350 -0.017 0.000 0.265 80 E C -0.981 175.562 176.600 -0.094 0.000 1.069 80 E CA -0.663 55.660 56.400 -0.127 0.000 0.893 80 E CB 1.126 30.671 29.700 -0.257 0.000 1.076 80 E HN 0.043 nan 8.360 nan 0.000 0.414 81 K N 2.158 122.534 120.400 -0.041 0.000 2.427 81 K HA 0.412 4.722 4.320 -0.017 0.000 0.252 81 K C -0.723 175.872 176.600 -0.010 0.000 0.931 81 K CA -0.822 55.459 56.287 -0.009 0.000 0.793 81 K CB 1.719 34.235 32.500 0.027 0.000 1.211 81 K HN 0.518 nan 8.250 nan 0.000 0.426 82 I N 1.192 121.759 120.570 -0.005 0.000 2.437 82 I HA 0.415 4.575 4.170 -0.017 0.000 0.298 82 I C 0.184 176.303 176.117 0.003 0.000 0.984 82 I CA -0.529 60.769 61.300 -0.004 0.000 1.214 82 I CB 1.387 39.383 38.000 -0.007 0.000 1.365 82 I HN 0.379 nan 8.210 nan 0.000 0.469 83 S N 5.436 121.140 115.700 0.007 0.000 2.540 83 S HA 0.637 5.097 4.470 -0.017 0.000 0.275 83 S C -0.350 174.246 174.600 -0.007 0.000 1.123 83 S CA -0.739 57.459 58.200 -0.003 0.000 0.907 83 S CB 2.212 65.413 63.200 0.001 0.000 1.081 83 S HN 0.362 nan 8.310 nan 0.000 0.476 84 M N 2.400 121.986 119.600 -0.023 0.000 2.283 84 M HA 0.510 4.980 4.480 -0.017 0.000 0.314 84 M C -0.381 175.896 176.300 -0.039 0.000 1.153 84 M CA -0.469 54.815 55.300 -0.027 0.000 1.084 84 M CB -0.128 32.452 32.600 -0.034 0.000 1.468 84 M HN 0.504 nan 8.290 nan 0.000 0.474 85 L N 0.689 121.889 121.223 -0.037 0.000 2.343 85 L HA 0.329 4.659 4.340 -0.017 0.000 0.275 85 L C 1.227 178.052 176.870 -0.075 0.000 1.056 85 L CA -0.218 54.590 54.840 -0.053 0.000 0.804 85 L CB 1.331 43.372 42.059 -0.030 0.000 1.203 85 L HN 0.800 nan 8.230 nan 0.000 0.440 86 E N 1.147 121.283 120.200 -0.107 0.000 2.251 86 E HA 0.035 4.375 4.350 -0.017 0.000 0.194 86 E C -0.182 176.355 176.600 -0.105 0.000 0.964 86 E CA 0.411 56.742 56.400 -0.115 0.000 0.868 86 E CB 0.782 30.382 29.700 -0.167 0.000 0.828 86 E HN 0.436 nan 8.360 nan 0.000 0.481 87 K N -0.222 120.112 120.400 -0.110 0.000 2.610 87 K HA 0.403 4.713 4.320 -0.017 0.000 0.278 87 K C -2.051 174.421 176.600 -0.213 0.000 0.964 87 K CA -0.381 55.794 56.287 -0.188 0.000 0.859 87 K CB 1.219 33.602 32.500 -0.194 0.000 1.434 87 K HN -0.026 nan 8.250 nan 0.000 0.410 88 I N 3.309 123.662 120.570 -0.362 0.000 2.465 88 I HA 0.416 4.576 4.170 -0.017 0.000 0.291 88 I C -1.138 174.757 176.117 -0.370 0.000 1.014 88 I CA -0.882 60.307 61.300 -0.185 0.000 1.093 88 I CB 1.508 39.471 38.000 -0.062 0.000 1.267 88 I HN 0.519 nan 8.210 nan 0.000 0.431 89 Y N 5.649 126.100 120.300 0.252 0.000 2.363 89 Y HA 0.429 4.972 4.550 -0.012 0.000 0.325 89 Y C -0.042 176.098 175.900 0.400 0.000 0.984 89 Y CA -1.012 57.278 58.100 0.316 0.000 1.248 89 Y CB 1.741 40.397 38.460 0.327 0.000 1.116 89 Y HN 0.293 nan 8.280 nan 0.000 0.470 90 V N 2.196 122.331 119.914 0.368 0.000 2.481 90 V HA 0.392 4.502 4.120 -0.017 0.000 0.286 90 V C 0.278 176.497 176.094 0.209 0.000 1.042 90 V CA -0.567 61.879 62.300 0.243 0.000 0.928 90 V CB 1.088 32.993 31.823 0.135 0.000 0.986 90 V HN 0.820 nan 8.190 nan 0.000 0.462 91 H N 8.311 127.244 119.070 -0.229 0.000 3.192 91 H HA 0.074 4.620 4.556 -0.017 0.000 0.295 91 H C -1.514 173.758 175.328 -0.092 0.000 0.943 91 H CA -0.083 55.642 56.048 -0.538 0.000 1.416 91 H CB 1.613 30.857 29.762 -0.864 0.000 1.434 91 H HN 0.669 nan 8.280 nan 0.000 0.565 92 P HA -0.155 nan 4.420 nan 0.000 0.219 92 P C 0.894 178.294 177.300 0.167 0.000 1.146 92 P CA 1.225 64.379 63.100 0.091 0.000 0.808 92 P CB 0.251 31.976 31.700 0.041 0.000 0.779 93 R N -1.675 119.029 120.500 0.340 0.000 2.334 93 R HA 0.069 4.399 4.340 -0.017 0.000 0.220 93 R C 0.471 176.835 176.300 0.106 0.000 0.917 93 R CA -0.445 55.768 56.100 0.187 0.000 1.073 93 R CB -0.452 29.937 30.300 0.148 0.000 1.056 93 R HN 0.258 nan 8.270 nan 0.000 0.506 94 Y N 1.898 122.223 120.300 0.042 0.000 2.465 94 Y HA 0.096 4.636 4.550 -0.017 0.000 0.331 94 Y C -0.371 175.547 175.900 0.029 0.000 1.102 94 Y CA -0.906 57.194 58.100 -0.000 0.000 1.358 94 Y CB 0.325 38.807 38.460 0.035 0.000 1.213 94 Y HN -0.165 nan 8.280 nan 0.000 0.525 95 N N 8.123 126.477 118.700 -0.578 0.000 2.682 95 N HA 0.075 4.805 4.740 -0.017 0.000 0.252 95 N C -0.418 174.644 175.510 -0.746 0.000 1.081 95 N CA -0.905 51.779 53.050 -0.610 0.000 0.844 95 N CB 0.076 38.343 38.487 -0.367 0.000 1.167 95 N HN 0.794 nan 8.380 nan 0.000 0.523 96 W N 3.401 124.187 121.300 -0.857 0.000 2.571 96 W HA 0.015 4.669 4.660 -0.010 0.000 0.346 96 W C 0.684 177.084 176.519 -0.197 0.000 1.005 96 W CA -0.336 56.737 57.345 -0.454 0.000 2.096 96 W CB -0.868 28.471 29.460 -0.202 0.000 0.798 96 W HN 0.540 nan 8.180 nan 0.000 0.576 97 E N 2.315 122.332 120.200 -0.306 0.000 2.917 97 E HA -0.385 3.955 4.350 -0.017 0.000 0.214 97 E C 0.589 177.123 176.600 -0.111 0.000 0.927 97 E CA 3.388 59.675 56.400 -0.188 0.000 1.634 97 E CB -0.545 29.042 29.700 -0.188 0.000 1.587 97 E HN 0.749 nan 8.360 nan 0.000 0.442 98 N N -3.595 115.047 118.700 -0.097 0.000 3.439 98 N HA 0.194 4.924 4.740 -0.017 0.000 0.313 98 N C -0.398 175.123 175.510 0.019 0.000 1.598 98 N CA -0.485 52.543 53.050 -0.036 0.000 0.830 98 N CB -0.053 38.400 38.487 -0.056 0.000 1.849 98 N HN 0.011 nan 8.380 nan 0.000 0.598 99 L N -0.217 121.035 121.223 0.048 0.000 2.629 99 L HA 0.259 4.589 4.340 -0.017 0.000 0.230 99 L C 0.072 176.999 176.870 0.093 0.000 1.151 99 L CA 0.307 55.224 54.840 0.129 0.000 0.924 99 L CB -2.058 40.065 42.059 0.107 0.000 1.137 99 L HN 0.698 nan 8.230 nan 0.000 0.457 100 D N 1.554 121.965 120.400 0.019 0.000 2.525 100 D HA -0.087 4.543 4.640 -0.017 0.000 0.235 100 D C 0.687 176.977 176.300 -0.016 0.000 1.137 100 D CA 0.434 54.415 54.000 -0.032 0.000 0.868 100 D CB 0.498 41.254 40.800 -0.073 0.000 1.180 100 D HN 0.118 nan 8.370 nan 0.000 0.465 101 R N 1.541 121.973 120.500 -0.113 0.000 3.416 101 R HA -0.230 4.100 4.340 -0.017 0.000 0.263 101 R C -0.621 175.599 176.300 -0.133 0.000 1.053 101 R CA 0.656 56.608 56.100 -0.246 0.000 0.705 101 R CB -1.602 28.378 30.300 -0.533 0.000 1.124 101 R HN 0.449 nan 8.270 nan 0.000 0.444 102 D N 1.391 121.762 120.400 -0.048 0.000 2.545 102 D HA 0.295 4.925 4.640 -0.017 0.000 0.227 102 D C -0.125 176.088 176.300 -0.144 0.000 1.150 102 D CA 0.156 54.097 54.000 -0.099 0.000 1.046 102 D CB 0.085 40.920 40.800 0.058 0.000 1.098 102 D HN 0.398 nan 8.370 nan 0.000 0.502 103 I N 0.913 121.356 120.570 -0.211 0.000 2.827 103 I HA 0.689 4.849 4.170 -0.017 0.000 0.298 103 I C -1.894 174.192 176.117 -0.052 0.000 1.235 103 I CA -0.706 60.536 61.300 -0.096 0.000 1.021 103 I CB 1.850 39.825 38.000 -0.042 0.000 1.259 103 I HN 0.269 nan 8.210 nan 0.000 0.427 104 A N 7.098 129.992 122.820 0.124 0.000 2.520 104 A HA 0.738 5.048 4.320 -0.017 0.000 0.298 104 A C -2.053 175.766 177.584 0.391 0.000 1.051 104 A CA -0.505 51.697 52.037 0.274 0.000 0.690 104 A CB 1.677 20.754 19.000 0.128 0.000 1.281 104 A HN 0.645 nan 8.150 nan 0.000 0.402 105 L N 2.036 123.584 121.223 0.541 0.000 2.317 105 L HA 0.597 4.927 4.340 -0.017 0.000 0.281 105 L C -0.909 176.296 176.870 0.560 0.000 1.024 105 L CA -0.520 54.624 54.840 0.507 0.000 0.810 105 L CB 1.514 43.795 42.059 0.370 0.000 1.240 105 L HN 0.622 nan 8.230 nan 0.000 0.427 106 L N 3.878 125.388 121.223 0.479 0.000 2.333 106 L HA 0.523 4.853 4.340 -0.017 0.000 0.280 106 L C -0.372 176.604 176.870 0.177 0.000 1.004 106 L CA -0.649 54.371 54.840 0.300 0.000 0.820 106 L CB 1.868 44.032 42.059 0.176 0.000 1.247 106 L HN 0.507 nan 8.230 nan 0.000 0.416 107 K N 3.892 124.250 120.400 -0.071 0.000 2.185 107 K HA 0.585 4.895 4.320 -0.017 0.000 0.269 107 K C -0.830 175.575 176.600 -0.325 0.000 0.987 107 K CA -0.595 55.353 56.287 -0.565 0.000 0.865 107 K CB 1.161 33.209 32.500 -0.754 0.000 1.090 107 K HN 0.533 nan 8.250 nan 0.000 0.450 108 L N 4.401 125.425 121.223 -0.333 0.000 2.395 108 L HA 0.211 4.541 4.340 -0.017 0.000 0.269 108 L C 1.395 178.143 176.870 -0.204 0.000 1.133 108 L CA -0.348 54.377 54.840 -0.192 0.000 0.812 108 L CB 0.925 42.906 42.059 -0.131 0.000 1.125 108 L HN 0.742 nan 8.230 nan 0.000 0.452 109 K N 0.695 121.011 120.400 -0.138 0.000 2.155 109 K HA 0.020 4.330 4.320 -0.017 0.000 0.203 109 K C -0.057 176.471 176.600 -0.119 0.000 1.052 109 K CA 1.045 57.255 56.287 -0.128 0.000 0.948 109 K CB 0.265 32.712 32.500 -0.089 0.000 0.728 109 K HN 0.351 nan 8.250 nan 0.000 0.448 110 K N 0.819 121.157 120.400 -0.102 0.000 2.482 110 K HA 0.289 4.599 4.320 -0.017 0.000 0.251 110 K C -2.759 173.786 176.600 -0.091 0.000 0.936 110 K CA -2.331 53.903 56.287 -0.090 0.000 0.791 110 K CB 1.725 34.186 32.500 -0.066 0.000 1.213 110 K HN -0.093 nan 8.250 nan 0.000 0.428 111 P HA -0.042 nan 4.420 nan 0.000 0.264 111 P C -0.023 177.213 177.300 -0.107 0.000 1.183 111 P CA -0.285 62.751 63.100 -0.108 0.000 0.763 111 P CB 0.767 32.395 31.700 -0.120 0.000 0.807 112 V N 5.635 125.494 119.914 -0.092 0.000 2.465 112 V HA 0.295 4.405 4.120 -0.017 0.000 0.279 112 V C -1.934 174.055 176.094 -0.175 0.000 1.045 112 V CA -2.372 59.892 62.300 -0.061 0.000 0.938 112 V CB 0.952 32.801 31.823 0.044 0.000 0.986 112 V HN 0.545 nan 8.190 nan 0.000 0.467 113 P HA 0.229 nan 4.420 nan 0.000 0.276 113 P C -0.915 176.376 177.300 -0.015 0.000 1.230 113 P CA -0.142 62.853 63.100 -0.175 0.000 0.776 113 P CB 0.588 32.248 31.700 -0.066 0.000 0.888 114 F N 1.104 121.079 119.950 0.041 0.000 2.380 114 F HA 0.433 4.950 4.527 -0.018 0.000 0.325 114 F C 1.585 177.421 175.800 0.060 0.000 1.136 114 F CA -0.099 57.937 58.000 0.060 0.000 1.171 114 F CB 0.487 39.529 39.000 0.071 0.000 1.230 114 F HN 0.440 nan 8.300 nan 0.000 0.554 115 S N -0.808 115.058 115.700 0.276 0.000 2.757 115 S HA 0.313 4.773 4.470 -0.017 0.000 0.285 115 S C -0.072 174.507 174.600 -0.035 0.000 1.196 115 S CA -0.804 57.465 58.200 0.115 0.000 0.856 115 S CB 1.237 64.516 63.200 0.132 0.000 1.212 115 S HN 0.368 nan 8.310 nan 0.000 0.516 116 D N -0.112 120.129 120.400 -0.265 0.000 2.310 116 D HA 0.052 4.682 4.640 -0.017 0.000 0.212 116 D C 0.433 176.279 176.300 -0.757 0.000 0.965 116 D CA 1.375 55.029 54.000 -0.577 0.000 0.879 116 D CB -0.239 40.043 40.800 -0.863 0.000 0.921 116 D HN 0.586 nan 8.370 nan 0.000 0.510 117 Y N -0.650 119.634 120.300 -0.027 0.000 2.481 117 Y HA 0.373 4.913 4.550 -0.017 0.000 0.247 117 Y C 0.599 176.482 175.900 -0.028 0.000 1.151 117 Y CA -0.273 57.793 58.100 -0.056 0.000 1.238 117 Y CB 0.883 39.317 38.460 -0.043 0.000 1.179 117 Y HN -0.206 nan 8.280 nan 0.000 0.524 118 I N 0.428 121.060 120.570 0.104 0.000 2.468 118 I HA 0.336 4.497 4.170 -0.017 0.000 0.284 118 I C -1.351 174.837 176.117 0.118 0.000 1.038 118 I CA -0.520 60.868 61.300 0.147 0.000 1.083 118 I CB 1.698 39.841 38.000 0.238 0.000 1.223 118 I HN 0.045 nan 8.210 nan 0.000 0.443 119 H N 7.098 126.098 119.070 -0.117 0.000 3.087 119 H HA 0.381 4.927 4.556 -0.016 0.000 0.348 119 H C -2.870 172.412 175.328 -0.076 0.000 1.092 119 H CA -0.871 54.990 56.048 -0.312 0.000 1.285 119 H CB 3.112 32.746 29.762 -0.214 0.000 1.875 119 H HN 0.225 nan 8.280 nan 0.000 0.512 120 P HA 0.076 nan 4.420 nan 0.000 0.272 120 P C -0.536 176.853 177.300 0.148 0.000 1.230 120 P CA -0.222 62.859 63.100 -0.031 0.000 0.788 120 P CB 1.749 33.360 31.700 -0.148 0.000 0.949 121 V N 2.192 122.139 119.914 0.056 0.000 2.973 121 V HA 0.305 4.415 4.120 -0.017 0.000 0.314 121 V C -0.191 175.767 176.094 -0.228 0.000 1.066 121 V CA -0.513 61.591 62.300 -0.326 0.000 1.021 121 V CB 1.499 32.802 31.823 -0.866 0.000 1.076 121 V HN 0.692 nan 8.190 nan 0.000 0.462 122 C N 4.397 123.496 119.300 -0.335 0.000 2.405 122 C HA 0.531 4.981 4.460 -0.017 0.000 0.365 122 C C 0.152 175.074 174.990 -0.114 0.000 1.233 122 C CA -0.837 57.999 59.018 -0.304 0.000 2.230 122 C CB 0.238 27.545 27.740 -0.722 0.000 2.443 122 C HN 0.736 nan 8.230 nan 0.000 0.556 123 L N 4.924 126.169 121.223 0.037 0.000 2.334 123 L HA 0.405 4.735 4.340 -0.017 0.000 0.277 123 L C -1.695 175.393 176.870 0.363 0.000 1.075 123 L CA -1.238 53.709 54.840 0.178 0.000 0.804 123 L CB 1.016 43.158 42.059 0.138 0.000 1.174 123 L HN 0.474 nan 8.230 nan 0.000 0.438 124 P HA 0.136 nan 4.420 nan 0.000 0.274 124 P C -1.681 175.755 177.300 0.227 0.000 1.246 124 P CA -0.362 62.895 63.100 0.263 0.000 0.795 124 P CB 0.980 32.747 31.700 0.113 0.000 1.006 125 D N -1.220 119.149 120.400 -0.051 0.000 2.450 125 D HA 0.190 4.820 4.640 -0.017 0.000 0.238 125 D C 0.959 176.918 176.300 -0.568 0.000 1.020 125 D CA -1.012 52.950 54.000 -0.064 0.000 1.010 125 D CB 1.121 41.920 40.800 -0.002 0.000 1.342 125 D HN 0.248 nan 8.370 nan 0.000 0.530 126 K N -0.263 119.800 120.400 -0.562 0.000 2.089 126 K HA -0.304 4.006 4.320 -0.017 0.000 0.210 126 K C 1.789 178.124 176.600 -0.442 0.000 1.048 126 K CA 1.726 57.605 56.287 -0.681 0.000 0.926 126 K CB 0.016 32.407 32.500 -0.180 0.000 0.714 126 K HN 0.547 nan 8.250 nan 0.000 0.448 127 Q N 0.244 119.872 119.800 -0.287 0.000 2.030 127 Q HA -0.086 4.244 4.340 -0.017 0.000 0.204 127 Q C -0.189 175.638 176.000 -0.288 0.000 0.986 127 Q CA 1.567 57.234 55.803 -0.226 0.000 0.843 127 Q CB -0.036 28.607 28.738 -0.158 0.000 0.904 127 Q HN 0.197 nan 8.270 nan 0.000 0.420 128 T N 1.668 115.997 114.554 -0.375 0.000 2.792 128 T HA 0.088 4.428 4.350 -0.017 0.000 0.286 128 T C 0.756 175.218 174.700 -0.397 0.000 0.970 128 T CA 0.725 62.548 62.100 -0.462 0.000 1.187 128 T CB 0.286 68.710 68.868 -0.740 0.000 0.915 128 T HN 0.449 nan 8.240 nan 0.000 0.529 129 L N 0.692 121.824 121.223 -0.152 0.000 2.962 129 L HA -0.156 4.174 4.340 -0.017 0.000 0.424 129 L C 0.763 177.497 176.870 -0.226 0.000 0.702 129 L CA 0.395 55.199 54.840 -0.062 0.000 3.054 129 L CB -1.142 40.880 42.059 -0.062 0.000 0.739 129 L HN 0.451 nan 8.230 nan 0.000 0.730 130 L N 3.254 124.281 121.223 -0.326 0.000 2.382 130 L HA 0.241 4.571 4.340 -0.017 0.000 0.259 130 L C 0.683 177.282 176.870 -0.451 0.000 1.291 130 L CA 0.820 55.405 54.840 -0.426 0.000 1.176 130 L CB -0.469 41.294 42.059 -0.493 0.000 1.373 130 L HN 0.131 nan 8.230 nan 0.000 0.426 131 R N 2.880 123.052 120.500 -0.547 0.000 2.698 131 R HA 0.773 5.103 4.340 -0.017 0.000 0.275 131 R C -0.604 175.462 176.300 -0.390 0.000 1.001 131 R CA -0.696 55.083 56.100 -0.535 0.000 0.896 131 R CB 0.758 30.623 30.300 -0.725 0.000 1.218 131 R HN 0.243 nan 8.270 nan 0.000 0.462 132 A N 0.925 123.603 122.820 -0.237 0.000 2.584 132 A HA 0.368 4.678 4.320 -0.017 0.000 0.239 132 A C 1.448 179.020 177.584 -0.020 0.000 1.043 132 A CA 1.379 53.345 52.037 -0.118 0.000 0.756 132 A CB -0.712 18.233 19.000 -0.092 0.000 0.963 132 A HN 1.403 nan 8.150 nan 0.000 0.511 133 G N 1.022 109.848 108.800 0.043 0.000 2.317 133 G HA2 -0.235 3.716 3.960 -0.017 0.000 0.227 133 G HA3 -0.235 3.716 3.960 -0.017 0.000 0.227 133 G C 0.176 175.211 174.900 0.224 0.000 1.042 133 G CA 0.289 45.465 45.100 0.127 0.000 0.623 133 G HN 0.833 nan 8.290 nan 0.000 0.509 134 Y N 2.346 122.623 120.300 -0.039 0.000 2.497 134 Y HA 0.500 5.039 4.550 -0.017 0.000 0.334 134 Y C 1.272 177.167 175.900 -0.008 0.000 1.199 134 Y CA -0.195 57.884 58.100 -0.035 0.000 1.425 134 Y CB 0.545 38.966 38.460 -0.065 0.000 1.291 134 Y HN 0.166 nan 8.280 nan 0.000 0.562 135 K N 1.665 122.131 120.400 0.110 0.000 2.110 135 K HA 0.679 4.989 4.320 -0.017 0.000 0.263 135 K C 0.213 176.821 176.600 0.012 0.000 0.975 135 K CA -0.601 55.727 56.287 0.068 0.000 0.895 135 K CB 1.516 34.044 32.500 0.047 0.000 1.060 135 K HN 0.857 nan 8.250 nan 0.000 0.448 136 G N 0.962 109.694 108.800 -0.114 0.000 2.714 136 G HA2 0.519 4.469 3.960 -0.017 0.000 0.292 136 G HA3 0.519 4.469 3.960 -0.017 0.000 0.292 136 G C -1.469 173.070 174.900 -0.603 0.000 1.308 136 G CA -0.662 44.083 45.100 -0.591 0.000 0.964 136 G HN 0.513 nan 8.290 nan 0.000 0.484 137 R N -0.354 119.799 120.500 -0.579 0.000 2.562 137 R HA 0.667 4.997 4.340 -0.017 0.000 0.298 137 R C -1.522 174.614 176.300 -0.274 0.000 0.961 137 R CA -0.446 55.492 56.100 -0.270 0.000 0.881 137 R CB 2.075 32.380 30.300 0.009 0.000 1.159 137 R HN 0.323 nan 8.270 nan 0.000 0.450 138 V N 3.016 122.838 119.914 -0.153 0.000 2.604 138 V HA 0.507 4.617 4.120 -0.017 0.000 0.305 138 V C -0.322 175.704 176.094 -0.113 0.000 1.043 138 V CA -0.665 61.614 62.300 -0.034 0.000 0.888 138 V CB 2.014 33.906 31.823 0.115 0.000 0.995 138 V HN 1.012 nan 8.190 nan 0.000 0.429 139 T N 0.553 115.044 114.554 -0.104 0.000 2.907 139 T HA 0.973 5.313 4.350 -0.017 0.000 0.292 139 T C -0.130 174.409 174.700 -0.268 0.000 1.043 139 T CA -0.299 61.659 62.100 -0.236 0.000 1.003 139 T CB 2.181 70.893 68.868 -0.259 0.000 1.084 139 T HN 1.395 nan 8.240 nan 0.000 0.483 140 G N -0.307 108.231 108.800 -0.437 0.000 2.342 140 G HA2 0.419 4.369 3.960 -0.017 0.000 0.297 140 G HA3 0.419 4.369 3.960 -0.017 0.000 0.297 140 G C -1.494 173.098 174.900 -0.513 0.000 1.313 140 G CA -0.816 44.028 45.100 -0.427 0.000 0.830 140 G HN 0.649 nan 8.290 nan 0.000 0.506 141 W N 1.045 122.299 121.300 -0.076 0.000 2.818 141 W HA 0.398 5.053 4.660 -0.009 0.000 0.403 141 W C 1.026 177.494 176.519 -0.085 0.000 0.991 141 W CA -0.278 57.014 57.345 -0.089 0.000 1.925 141 W CB 0.890 30.289 29.460 -0.101 0.000 1.166 141 W HN 0.826 nan 8.180 nan 0.000 0.605 142 G N 1.567 110.410 108.800 0.073 0.000 2.684 142 G HA2 0.014 3.964 3.960 -0.017 0.000 0.255 142 G HA3 0.014 3.964 3.960 -0.017 0.000 0.255 142 G C 0.405 175.310 174.900 0.008 0.000 1.219 142 G CA -0.351 44.765 45.100 0.027 0.000 0.901 142 G HN -0.096 nan 8.290 nan 0.000 0.548 143 N N -0.789 117.902 118.700 -0.015 0.000 2.374 143 N HA 0.007 4.737 4.740 -0.017 0.000 0.241 143 N C 1.435 176.933 175.510 -0.021 0.000 1.262 143 N CA -0.196 52.839 53.050 -0.024 0.000 0.880 143 N CB 1.085 39.541 38.487 -0.052 0.000 1.105 143 N HN 0.336 nan 8.380 nan 0.000 0.438 144 L N -0.158 121.057 121.223 -0.014 0.000 2.375 144 L HA 0.099 4.429 4.340 -0.017 0.000 0.215 144 L C 1.048 177.915 176.870 -0.004 0.000 1.108 144 L CA 0.613 55.449 54.840 -0.007 0.000 0.830 144 L CB -0.112 41.949 42.059 0.003 0.000 0.959 144 L HN 0.541 nan 8.230 nan 0.000 0.457 145 R N -0.730 119.761 120.500 -0.014 0.000 2.756 145 R HA 0.253 4.583 4.340 -0.017 0.000 0.273 145 R C -0.957 175.323 176.300 -0.033 0.000 1.030 145 R CA -0.846 55.247 56.100 -0.012 0.000 0.887 145 R CB 0.935 31.237 30.300 0.003 0.000 1.274 145 R HN -0.189 nan 8.270 nan 0.000 0.461 146 E N 1.327 121.512 120.200 -0.025 0.000 2.502 146 E HA -0.041 4.299 4.350 -0.017 0.000 0.261 146 E C -0.392 176.165 176.600 -0.071 0.000 0.974 146 E CA 0.412 56.787 56.400 -0.041 0.000 0.936 146 E CB 0.725 30.425 29.700 -0.000 0.000 0.926 146 E HN 0.447 nan 8.360 nan 0.000 0.459 147 T N 3.773 118.214 114.554 -0.189 0.000 2.856 147 T HA -0.005 4.335 4.350 -0.017 0.000 0.306 147 T C -0.581 174.024 174.700 -0.159 0.000 1.062 147 T CA 0.490 62.376 62.100 -0.358 0.000 1.083 147 T CB 0.059 68.462 68.868 -0.775 0.000 0.984 147 T HN 0.752 nan 8.240 nan 0.000 0.542 148 W N 2.144 123.447 121.300 0.004 0.000 4.152 148 W HA -0.176 4.474 4.660 -0.016 0.000 0.394 148 W C 0.770 177.292 176.519 0.004 0.000 1.534 148 W CA 0.130 57.477 57.345 0.004 0.000 0.784 148 W CB -2.296 27.166 29.460 0.003 0.000 2.714 148 W HN 1.063 nan 8.180 nan 0.000 1.223 149 E N -1.401 118.811 120.200 0.019 0.000 3.680 149 E HA -0.296 4.044 4.350 -0.017 0.000 0.309 149 E C 1.082 177.691 176.600 0.015 0.000 0.793 149 E CA 1.694 58.106 56.400 0.020 0.000 1.083 149 E CB -1.141 28.574 29.700 0.024 0.000 1.548 149 E HN 0.766 nan 8.360 nan 0.000 0.456 150 I N -2.641 117.933 120.570 0.006 0.000 4.139 150 I HA 0.152 4.312 4.170 -0.017 0.000 0.335 150 I C 0.260 176.374 176.117 -0.005 0.000 1.327 150 I CA -0.172 61.126 61.300 -0.003 0.000 1.112 150 I CB 0.388 38.376 38.000 -0.020 0.000 1.058 150 I HN -0.107 nan 8.210 nan 0.000 0.396 151 Q N 5.046 124.847 119.800 0.001 0.000 2.368 151 Q HA 0.434 4.764 4.340 -0.017 0.000 0.256 151 Q C -2.320 173.696 176.000 0.026 0.000 0.980 151 Q CA -2.198 53.611 55.803 0.010 0.000 0.887 151 Q CB 1.300 30.039 28.738 0.002 0.000 1.221 151 Q HN 0.206 nan 8.270 nan 0.000 0.458 152 P HA -0.080 nan 4.420 nan 0.000 0.268 152 P C 0.238 177.578 177.300 0.067 0.000 1.208 152 P CA 0.195 63.324 63.100 0.049 0.000 0.777 152 P CB 1.088 32.817 31.700 0.048 0.000 0.875 153 S N 0.552 116.280 115.700 0.046 0.000 2.470 153 S HA 0.122 4.582 4.470 -0.017 0.000 0.222 153 S C 0.817 175.441 174.600 0.041 0.000 1.024 153 S CA 0.120 58.343 58.200 0.038 0.000 0.931 153 S CB -0.071 63.145 63.200 0.026 0.000 0.791 153 S HN 0.304 nan 8.310 nan 0.000 0.513 154 V N 1.823 121.744 119.914 0.010 0.000 2.914 154 V HA 0.494 4.604 4.120 -0.017 0.000 0.314 154 V C -0.414 175.623 176.094 -0.095 0.000 1.084 154 V CA -1.220 61.012 62.300 -0.113 0.000 0.963 154 V CB 1.906 33.566 31.823 -0.271 0.000 1.025 154 V HN 0.488 nan 8.190 nan 0.000 0.432 155 L N 3.784 124.884 121.223 -0.205 0.000 2.559 155 L HA 0.120 4.450 4.340 -0.017 0.000 0.282 155 L C 0.119 176.748 176.870 -0.401 0.000 1.232 155 L CA 1.017 55.542 54.840 -0.524 0.000 0.885 155 L CB 0.196 41.907 42.059 -0.579 0.000 1.131 155 L HN 0.623 nan 8.230 nan 0.000 0.498 156 Q N 3.942 123.477 119.800 -0.442 0.000 2.257 156 Q HA 0.646 4.976 4.340 -0.017 0.000 0.262 156 Q C -0.956 174.784 176.000 -0.433 0.000 0.997 156 Q CA -0.500 55.093 55.803 -0.350 0.000 0.873 156 Q CB 2.227 30.809 28.738 -0.260 0.000 1.312 156 Q HN 0.604 nan 8.270 nan 0.000 0.450 157 V N 0.279 119.842 119.914 -0.585 0.000 2.925 157 V HA 0.858 4.968 4.120 -0.017 0.000 0.311 157 V C -1.627 173.767 176.094 -1.167 0.000 1.104 157 V CA -0.645 61.230 62.300 -0.708 0.000 0.954 157 V CB 2.393 33.865 31.823 -0.585 0.000 1.022 157 V HN 0.534 nan 8.190 nan 0.000 0.427 158 V N 4.988 124.421 119.914 -0.801 0.000 3.000 158 V HA 0.629 4.739 4.120 -0.017 0.000 0.300 158 V C -1.549 174.421 176.094 -0.207 0.000 1.251 158 V CA -0.655 61.217 62.300 -0.714 0.000 0.972 158 V CB 2.639 34.286 31.823 -0.294 0.000 1.065 158 V HN 1.044 nan 8.190 nan 0.000 0.431 159 N N 5.831 124.599 118.700 0.113 0.000 2.421 159 N HA 0.690 5.420 4.740 -0.017 0.000 0.285 159 N C -1.134 174.449 175.510 0.122 0.000 1.027 159 N CA -0.179 52.969 53.050 0.164 0.000 0.918 159 N CB 1.880 40.559 38.487 0.318 0.000 1.152 159 N HN 0.598 nan 8.380 nan 0.000 0.485 160 L N 2.627 123.828 121.223 -0.036 0.000 2.381 160 L HA 0.586 4.916 4.340 -0.017 0.000 0.268 160 L C -2.379 174.429 176.870 -0.104 0.000 0.997 160 L CA -1.945 52.779 54.840 -0.194 0.000 0.818 160 L CB 2.848 44.891 42.059 -0.027 0.000 1.310 160 L HN 0.248 nan 8.230 nan 0.000 0.416 161 P HA 0.293 nan 4.420 nan 0.000 0.290 161 P C -0.516 176.778 177.300 -0.010 0.000 1.276 161 P CA -0.363 62.699 63.100 -0.063 0.000 0.808 161 P CB 1.352 33.005 31.700 -0.079 0.000 0.966 162 I N 2.492 123.084 120.570 0.036 0.000 2.618 162 I HA 0.041 4.201 4.170 -0.017 0.000 0.284 162 I C 0.736 176.804 176.117 -0.081 0.000 1.146 162 I CA -0.070 61.204 61.300 -0.044 0.000 1.425 162 I CB 0.530 38.451 38.000 -0.132 0.000 1.383 162 I HN 0.054 nan 8.210 nan 0.000 0.562 163 V N 6.337 126.179 119.914 -0.120 0.000 2.617 163 V HA 0.142 4.252 4.120 -0.017 0.000 0.298 163 V C 0.411 176.410 176.094 -0.158 0.000 1.048 163 V CA -0.891 61.281 62.300 -0.213 0.000 0.964 163 V CB 1.472 32.985 31.823 -0.517 0.000 1.004 163 V HN 0.595 nan 8.190 nan 0.000 0.466 164 E N 3.054 123.170 120.200 -0.140 0.000 2.480 164 E HA -0.023 4.317 4.350 -0.017 0.000 0.258 164 E C 1.084 177.636 176.600 -0.079 0.000 0.984 164 E CA 0.139 56.485 56.400 -0.090 0.000 0.930 164 E CB 0.592 30.256 29.700 -0.060 0.000 0.936 164 E HN 0.521 nan 8.360 nan 0.000 0.466 165 R N 4.770 125.240 120.500 -0.051 0.000 2.113 165 R HA -0.183 4.147 4.340 -0.017 0.000 0.244 165 R C -0.814 175.475 176.300 -0.020 0.000 1.142 165 R CA 1.938 58.022 56.100 -0.028 0.000 0.953 165 R CB -0.723 29.567 30.300 -0.017 0.000 0.860 165 R HN 0.318 nan 8.270 nan 0.000 0.438 166 P HA -0.098 nan 4.420 nan 0.000 0.217 166 P C 1.284 178.594 177.300 0.016 0.000 1.150 166 P CA 0.955 64.054 63.100 -0.001 0.000 0.832 166 P CB 0.078 31.776 31.700 -0.003 0.000 0.787 167 V N 0.224 120.142 119.914 0.007 0.000 2.427 167 V HA -0.254 3.856 4.120 -0.017 0.000 0.248 167 V C 2.542 178.692 176.094 0.093 0.000 1.051 167 V CA 2.233 64.557 62.300 0.041 0.000 1.048 167 V CB -1.398 30.430 31.823 0.007 0.000 0.666 167 V HN 0.331 nan 8.190 nan 0.000 0.456 168 c N -0.962 117.657 118.600 0.032 0.000 2.485 168 c HA 0.078 4.638 4.570 -0.017 0.000 0.277 168 c C 2.437 176.618 174.090 0.151 0.000 1.376 168 c CA -0.128 56.296 56.329 0.159 0.000 1.759 168 c CB -0.979 41.595 42.510 0.106 0.000 1.970 168 c HN 0.452 nan 8.230 nan 0.000 0.509 169 K N 1.812 122.249 120.400 0.061 0.000 2.209 169 K HA -0.009 4.301 4.320 -0.017 0.000 0.204 169 K C 2.180 178.813 176.600 0.056 0.000 1.048 169 K CA 1.579 57.884 56.287 0.029 0.000 0.940 169 K CB -0.220 32.279 32.500 -0.002 0.000 0.729 169 K HN 0.641 nan 8.250 nan 0.000 0.451 170 A N 0.864 123.732 122.820 0.079 0.000 2.218 170 A HA -0.031 4.279 4.320 -0.017 0.000 0.209 170 A C 1.888 179.535 177.584 0.104 0.000 1.168 170 A CA 0.967 53.051 52.037 0.078 0.000 0.804 170 A CB -0.099 18.944 19.000 0.071 0.000 0.834 170 A HN 0.298 nan 8.150 nan 0.000 0.482 171 S N -2.064 113.730 115.700 0.157 0.000 2.548 171 S HA 0.208 4.668 4.470 -0.017 0.000 0.215 171 S C 0.594 175.275 174.600 0.135 0.000 0.976 171 S CA 0.612 58.907 58.200 0.159 0.000 0.908 171 S CB -0.131 63.221 63.200 0.254 0.000 0.781 171 S HN 0.379 nan 8.310 nan 0.000 0.519 172 T N 0.028 114.668 114.554 0.143 0.000 2.868 172 T HA 0.502 4.842 4.350 -0.017 0.000 0.306 172 T C -0.105 174.645 174.700 0.084 0.000 1.224 172 T CA -0.749 61.434 62.100 0.139 0.000 1.012 172 T CB 1.781 70.809 68.868 0.266 0.000 1.221 172 T HN 0.087 nan 8.240 nan 0.000 0.499 173 R N 1.576 122.117 120.500 0.069 0.000 2.297 173 R HA 0.371 4.701 4.340 -0.017 0.000 0.197 173 R C 0.530 176.844 176.300 0.023 0.000 0.943 173 R CA 0.157 56.279 56.100 0.037 0.000 1.038 173 R CB 0.001 30.319 30.300 0.030 0.000 0.957 173 R HN 0.549 nan 8.270 nan 0.000 0.484 174 I N 1.396 121.992 120.570 0.044 0.000 2.588 174 I HA 0.026 4.186 4.170 -0.017 0.000 0.283 174 I C 0.599 176.661 176.117 -0.093 0.000 1.119 174 I CA -0.222 61.080 61.300 0.003 0.000 1.419 174 I CB 0.744 38.795 38.000 0.086 0.000 1.394 174 I HN -0.023 nan 8.210 nan 0.000 0.562 175 R N 6.104 126.538 120.500 -0.111 0.000 2.389 175 R HA 0.431 4.761 4.340 -0.017 0.000 0.295 175 R C -0.941 175.223 176.300 -0.228 0.000 1.075 175 R CA -0.218 55.800 56.100 -0.136 0.000 1.005 175 R CB 0.459 30.701 30.300 -0.097 0.000 0.987 175 R HN 0.524 nan 8.270 nan 0.000 0.452 176 I N 4.943 125.375 120.570 -0.229 0.000 2.359 176 I HA 0.157 4.318 4.170 -0.017 0.000 0.284 176 I C 0.657 176.684 176.117 -0.150 0.000 1.018 176 I CA -0.521 60.615 61.300 -0.273 0.000 1.173 176 I CB 1.552 39.380 38.000 -0.287 0.000 1.326 176 I HN 0.733 nan 8.210 nan 0.000 0.462 177 T N 0.044 114.519 114.554 -0.131 0.000 2.788 177 T HA 0.155 4.495 4.350 -0.017 0.000 0.280 177 T C 0.800 175.466 174.700 -0.057 0.000 0.984 177 T CA -0.624 61.424 62.100 -0.087 0.000 0.972 177 T CB 0.959 69.774 68.868 -0.089 0.000 1.039 177 T HN 0.440 nan 8.240 nan 0.000 0.530 178 D N 0.606 120.974 120.400 -0.052 0.000 2.392 178 D HA -0.019 4.611 4.640 -0.017 0.000 0.228 178 D C 0.734 177.001 176.300 -0.055 0.000 1.003 178 D CA 0.441 54.416 54.000 -0.042 0.000 0.917 178 D CB -0.147 40.617 40.800 -0.061 0.000 0.890 178 D HN 0.474 nan 8.370 nan 0.000 0.532 179 N N 0.341 119.013 118.700 -0.046 0.000 2.251 179 N HA 0.107 4.837 4.740 -0.017 0.000 0.217 179 N C 0.406 175.960 175.510 0.073 0.000 1.124 179 N CA 0.121 53.154 53.050 -0.029 0.000 0.843 179 N CB 0.612 39.047 38.487 -0.086 0.000 1.024 179 N HN 0.366 nan 8.380 nan 0.000 0.501 180 M N -0.950 118.709 119.600 0.098 0.000 2.618 180 M HA 0.637 5.107 4.480 -0.017 0.000 0.281 180 M C -1.497 174.921 176.300 0.196 0.000 1.267 180 M CA -1.132 54.213 55.300 0.076 0.000 0.845 180 M CB 2.422 34.982 32.600 -0.068 0.000 1.732 180 M HN -0.140 nan 8.290 nan 0.000 0.461 181 F N -1.208 118.782 119.950 0.068 0.000 2.662 181 F HA 0.901 5.419 4.527 -0.016 0.000 0.312 181 F C -1.664 174.187 175.800 0.084 0.000 1.113 181 F CA -1.129 56.876 58.000 0.008 0.000 0.951 181 F CB 0.996 39.936 39.000 -0.100 0.000 1.344 181 F HN 0.761 nan 8.300 nan 0.000 0.462 182 c N 1.660 120.439 118.600 0.297 0.000 2.470 182 c HA 1.008 5.568 4.570 -0.017 0.000 0.341 182 c C -0.029 174.176 174.090 0.193 0.000 1.190 182 c CA -0.286 56.209 56.329 0.277 0.000 1.904 182 c CB 0.894 43.518 42.510 0.190 0.000 2.354 182 c HN 1.148 nan 8.230 nan 0.000 0.509 183 A N 1.061 124.018 122.820 0.228 0.000 2.488 183 A HA 0.808 5.118 4.320 -0.017 0.000 0.298 183 A C -1.106 176.603 177.584 0.209 0.000 1.044 183 A CA -0.383 51.719 52.037 0.107 0.000 0.693 183 A CB 0.532 19.497 19.000 -0.059 0.000 1.272 183 A HN 0.656 nan 8.150 nan 0.000 0.402 184 F N 0.883 120.997 119.950 0.274 0.000 2.380 184 F HA 0.386 4.903 4.527 -0.017 0.000 0.325 184 F C 1.638 177.599 175.800 0.268 0.000 1.136 184 F CA -0.224 57.909 58.000 0.221 0.000 1.171 184 F CB 1.158 40.250 39.000 0.153 0.000 1.230 184 F HN 0.737 nan 8.300 nan 0.000 0.554 185 K N 0.879 121.534 120.400 0.426 0.000 2.209 185 K HA -0.094 4.217 4.320 -0.017 0.000 0.204 185 K C 0.207 176.932 176.600 0.209 0.000 1.048 185 K CA 0.851 57.330 56.287 0.320 0.000 0.940 185 K CB -0.173 32.465 32.500 0.231 0.000 0.729 185 K HN 0.321 nan 8.250 nan 0.000 0.451 186 K N 2.564 122.937 120.400 -0.044 0.000 1.875 186 K HA -0.186 4.125 4.320 -0.017 0.000 0.226 186 K C -0.759 175.805 176.600 -0.060 0.000 1.248 186 K CA 0.633 56.900 56.287 -0.033 0.000 1.460 186 K CB -0.723 31.761 32.500 -0.026 0.000 0.820 186 K HN 0.189 nan 8.250 nan 0.000 0.393 187 R N 1.164 121.664 120.500 -0.001 0.000 2.296 187 R HA 0.074 4.404 4.340 -0.017 0.000 0.323 187 R C 0.928 177.363 176.300 0.224 0.000 1.067 187 R CA -0.297 55.861 56.100 0.097 0.000 0.946 187 R CB 0.683 31.098 30.300 0.191 0.000 0.991 187 R HN 0.426 nan 8.270 nan 0.000 0.448 188 G N 1.642 110.666 108.800 0.374 0.000 2.544 188 G HA2 0.184 4.134 3.960 -0.017 0.000 0.242 188 G HA3 0.184 4.134 3.960 -0.017 0.000 0.242 188 G C -0.457 174.634 174.900 0.319 0.000 1.247 188 G CA 0.171 45.492 45.100 0.368 0.000 0.840 188 G HN 0.584 nan 8.290 nan 0.000 0.578 189 D N -1.294 119.214 120.400 0.179 0.000 2.764 189 D HA 0.525 5.155 4.640 -0.017 0.000 0.293 189 D C -0.590 175.758 176.300 0.080 0.000 1.287 189 D CA 0.071 54.155 54.000 0.140 0.000 0.768 189 D CB 1.114 41.982 40.800 0.112 0.000 1.288 189 D HN 0.691 nan 8.370 nan 0.000 0.426 190 A N 0.169 123.034 122.820 0.076 0.000 2.303 190 A HA 0.699 5.009 4.320 -0.017 0.000 0.317 190 A C -0.167 177.408 177.584 -0.015 0.000 1.149 190 A CA -0.358 51.698 52.037 0.033 0.000 0.822 190 A CB 0.645 19.682 19.000 0.062 0.000 1.131 190 A HN 0.602 nan 8.150 nan 0.000 0.493 191 c N -0.199 118.387 118.600 -0.024 0.000 2.710 191 c HA 0.515 5.075 4.570 -0.017 0.000 0.367 191 c C 1.942 176.012 174.090 -0.033 0.000 1.315 191 c CA -0.142 56.164 56.329 -0.038 0.000 1.764 191 c CB 1.538 44.027 42.510 -0.035 0.000 2.182 191 c HN 1.119 nan 8.230 nan 0.000 0.491 192 E N 0.967 121.144 120.200 -0.037 0.000 2.114 192 E HA -0.129 4.211 4.350 -0.017 0.000 0.199 192 E C 1.995 178.598 176.600 0.006 0.000 1.008 192 E CA 2.079 58.471 56.400 -0.014 0.000 0.810 192 E CB -0.553 29.131 29.700 -0.026 0.000 0.739 192 E HN 0.884 nan 8.360 nan 0.000 0.456 193 G N -0.384 108.412 108.800 -0.007 0.000 2.625 193 G HA2 -0.169 3.781 3.960 -0.017 0.000 0.214 193 G HA3 -0.169 3.781 3.960 -0.017 0.000 0.214 193 G C 0.907 175.823 174.900 0.026 0.000 1.132 193 G CA 0.750 45.853 45.100 0.004 0.000 0.782 193 G HN 0.219 nan 8.290 nan 0.000 0.538 194 D N 0.241 120.650 120.400 0.016 0.000 2.366 194 D HA 0.067 4.697 4.640 -0.017 0.000 0.205 194 D C 1.135 177.452 176.300 0.027 0.000 1.022 194 D CA 0.092 54.103 54.000 0.017 0.000 0.868 194 D CB 0.231 41.031 40.800 -0.000 0.000 0.953 194 D HN 0.075 nan 8.370 nan 0.000 0.514 195 S N -0.300 115.417 115.700 0.029 0.000 2.561 195 S HA 0.245 4.705 4.470 -0.017 0.000 0.294 195 S C 1.603 176.202 174.600 -0.001 0.000 1.294 195 S CA 0.931 59.157 58.200 0.042 0.000 1.055 195 S CB 0.827 64.114 63.200 0.145 0.000 0.819 195 S HN 0.494 nan 8.310 nan 0.000 0.503 196 G N 1.754 110.550 108.800 -0.008 0.000 2.253 196 G HA2 -0.204 3.746 3.960 -0.017 0.000 0.251 196 G HA3 -0.204 3.746 3.960 -0.017 0.000 0.251 196 G C 0.451 175.392 174.900 0.069 0.000 0.998 196 G CA 0.072 45.171 45.100 -0.003 0.000 0.621 196 G HN 1.156 nan 8.290 nan 0.000 0.524 197 G N 0.867 109.717 108.800 0.084 0.000 2.634 197 G HA2 0.579 4.529 3.960 -0.017 0.000 0.255 197 G HA3 0.579 4.529 3.960 -0.017 0.000 0.255 197 G C -2.015 172.989 174.900 0.173 0.000 1.205 197 G CA -0.149 45.020 45.100 0.117 0.000 0.884 197 G HN 0.401 nan 8.290 nan 0.000 0.549 198 P HA 0.324 nan 4.420 nan 0.000 0.290 198 P C -1.508 175.959 177.300 0.278 0.000 1.275 198 P CA -0.610 62.626 63.100 0.227 0.000 0.841 198 P CB 1.668 33.474 31.700 0.176 0.000 1.042 199 F N 4.581 124.633 119.950 0.171 0.000 2.347 199 F HA 0.365 4.882 4.527 -0.018 0.000 0.366 199 F C -0.447 175.429 175.800 0.126 0.000 1.107 199 F CA -0.636 57.441 58.000 0.130 0.000 1.058 199 F CB 0.642 39.682 39.000 0.066 0.000 1.236 199 F HN 0.142 nan 8.300 nan 0.000 0.456 200 V N 4.151 124.023 119.914 -0.069 0.000 2.850 200 V HA 0.703 4.813 4.120 -0.017 0.000 0.315 200 V C -0.520 175.589 176.094 0.025 0.000 1.064 200 V CA -0.899 61.438 62.300 0.063 0.000 0.979 200 V CB 2.002 33.915 31.823 0.149 0.000 1.039 200 V HN 0.799 nan 8.190 nan 0.000 0.452 201 M N 2.308 121.984 119.600 0.127 0.000 2.433 201 M HA 0.509 4.979 4.480 -0.017 0.000 0.290 201 M C -0.954 175.252 176.300 -0.157 0.000 1.173 201 M CA -0.520 54.777 55.300 -0.005 0.000 0.905 201 M CB 2.799 35.402 32.600 0.005 0.000 1.692 201 M HN 0.794 nan 8.290 nan 0.000 0.462 202 K N 1.218 121.306 120.400 -0.520 0.000 2.234 202 K HA 0.419 4.729 4.320 -0.017 0.000 0.277 202 K C 0.127 176.497 176.600 -0.382 0.000 1.038 202 K CA -0.124 55.666 56.287 -0.827 0.000 0.888 202 K CB 1.707 33.326 32.500 -1.468 0.000 1.091 202 K HN 0.753 nan 8.250 nan 0.000 0.467 203 S N 3.434 119.012 115.700 -0.203 0.000 2.121 203 S HA -0.141 4.319 4.470 -0.017 0.000 0.153 203 S C 0.806 175.330 174.600 -0.127 0.000 1.392 203 S CA 1.141 59.277 58.200 -0.107 0.000 2.333 203 S CB -0.379 62.846 63.200 0.042 0.000 0.305 203 S HN 1.033 nan 8.310 nan 0.000 0.351 204 N N 0.707 119.410 118.700 0.005 0.000 2.231 204 N HA -0.401 4.329 4.740 -0.017 0.000 0.232 204 N C 0.268 175.787 175.510 0.015 0.000 1.357 204 N CA 1.335 54.400 53.050 0.025 0.000 0.795 204 N CB -1.379 37.146 38.487 0.063 0.000 1.266 204 N HN 0.678 nan 8.380 nan 0.000 0.616 205 N N -1.391 117.298 118.700 -0.020 0.000 2.936 205 N HA -0.181 4.549 4.740 -0.017 0.000 0.236 205 N C -0.796 174.675 175.510 -0.065 0.000 0.930 205 N CA 1.566 54.586 53.050 -0.052 0.000 0.966 205 N CB -0.558 37.922 38.487 -0.013 0.000 1.090 205 N HN 0.575 nan 8.380 nan 0.000 0.592 206 R N -0.937 119.542 120.500 -0.035 0.000 2.532 206 R HA 0.414 4.744 4.340 -0.017 0.000 0.272 206 R C -0.526 175.674 176.300 -0.167 0.000 1.032 206 R CA -0.405 55.657 56.100 -0.064 0.000 1.089 206 R CB 0.533 30.745 30.300 -0.146 0.000 1.098 206 R HN 0.092 nan 8.270 nan 0.000 0.526 207 W N 1.195 122.385 121.300 -0.184 0.000 2.390 207 W HA 0.306 4.957 4.660 -0.015 0.000 0.312 207 W C -0.580 175.674 176.519 -0.442 0.000 1.123 207 W CA -0.003 57.205 57.345 -0.229 0.000 1.202 207 W CB 0.595 29.849 29.460 -0.343 0.000 1.251 207 W HN 0.393 nan 8.180 nan 0.000 0.511 208 Y N 1.247 121.522 120.300 -0.041 0.000 2.409 208 Y HA 0.231 4.771 4.550 -0.016 0.000 0.343 208 Y C 0.174 176.047 175.900 -0.045 0.000 0.973 208 Y CA -1.304 56.758 58.100 -0.063 0.000 1.064 208 Y CB 1.885 40.319 38.460 -0.044 0.000 1.207 208 Y HN 0.296 nan 8.280 nan 0.000 0.452 209 Q N 3.410 123.265 119.800 0.091 0.000 2.361 209 Q HA 0.190 4.520 4.340 -0.017 0.000 0.250 209 Q C 0.070 176.207 176.000 0.230 0.000 1.023 209 Q CA -0.396 55.478 55.803 0.117 0.000 0.915 209 Q CB 0.616 29.390 28.738 0.060 0.000 1.238 209 Q HN 0.764 nan 8.270 nan 0.000 0.451 210 M N 1.908 121.688 119.600 0.300 0.000 2.476 210 M HA 0.262 4.732 4.480 -0.017 0.000 0.262 210 M C 0.721 177.270 176.300 0.416 0.000 1.111 210 M CA 0.564 56.025 55.300 0.267 0.000 1.127 210 M CB 0.083 32.782 32.600 0.164 0.000 1.376 210 M HN 0.587 nan 8.290 nan 0.000 0.465 211 G N 0.043 109.145 108.800 0.503 0.000 2.684 211 G HA2 0.687 4.637 3.960 -0.017 0.000 0.290 211 G HA3 0.687 4.637 3.960 -0.017 0.000 0.290 211 G C -1.531 173.571 174.900 0.335 0.000 1.425 211 G CA -0.647 44.688 45.100 0.392 0.000 0.822 211 G HN 0.110 nan 8.290 nan 0.000 0.482 212 I N 0.804 121.511 120.570 0.229 0.000 2.433 212 I HA 0.264 4.424 4.170 -0.017 0.000 0.292 212 I C 0.074 176.272 176.117 0.134 0.000 1.001 212 I CA -1.065 60.350 61.300 0.192 0.000 1.119 212 I CB 2.232 40.307 38.000 0.124 0.000 1.289 212 I HN 0.130 nan 8.210 nan 0.000 0.438 213 V N 5.287 125.281 119.914 0.133 0.000 2.458 213 V HA -0.053 4.057 4.120 -0.017 0.000 0.287 213 V C 1.036 177.064 176.094 -0.109 0.000 1.009 213 V CA 0.630 62.866 62.300 -0.106 0.000 1.091 213 V CB 0.698 32.518 31.823 -0.005 0.000 0.960 213 V HN 0.970 nan 8.190 nan 0.000 0.476 214 S N 3.661 119.228 115.700 -0.222 0.000 2.591 214 S HA 0.437 4.897 4.470 -0.017 0.000 0.235 214 S C 0.760 175.333 174.600 -0.046 0.000 1.074 214 S CA 0.551 58.746 58.200 -0.009 0.000 0.925 214 S CB 0.353 63.552 63.200 -0.000 0.000 0.818 214 S HN 1.056 nan 8.310 nan 0.000 0.535 215 A N 1.034 123.727 122.820 -0.211 0.000 2.768 215 A HA 0.656 4.966 4.320 -0.017 0.000 0.299 215 A C 0.092 177.413 177.584 -0.438 0.000 1.171 215 A CA -0.206 51.662 52.037 -0.282 0.000 0.759 215 A CB 0.345 19.210 19.000 -0.225 0.000 1.267 215 A HN 0.504 nan 8.150 nan 0.000 0.421 216 G N 0.913 109.528 108.800 -0.308 0.000 2.483 216 G HA2 0.612 4.562 3.960 -0.017 0.000 0.248 216 G HA3 0.612 4.562 3.960 -0.017 0.000 0.248 216 G C 0.397 175.155 174.900 -0.236 0.000 1.248 216 G CA 0.460 45.410 45.100 -0.250 0.000 0.838 216 G HN 1.414 nan 8.290 nan 0.000 0.566 220 c N -0.938 117.644 118.600 -0.030 0.000 5.885 220 c HA -0.225 4.335 4.570 -0.017 0.000 0.328 220 c C 1.532 175.594 174.090 -0.047 0.000 2.433 220 c CA 1.840 58.144 56.329 -0.041 0.000 2.197 220 c CB -1.743 40.733 42.510 -0.057 0.000 3.236 220 c HN 1.334 nan 8.230 nan 0.000 0.260 221 R N 0.765 121.226 120.500 -0.064 0.000 3.164 221 R HA -0.196 4.134 4.340 -0.017 0.000 0.124 221 R C -0.210 176.049 176.300 -0.070 0.000 1.277 221 R CA 1.232 57.289 56.100 -0.073 0.000 0.987 221 R CB 0.155 30.390 30.300 -0.109 0.000 2.472 221 R HN 0.718 nan 8.270 nan 0.000 0.178 222 K N 1.064 121.430 120.400 -0.056 0.000 2.295 222 K HA 0.415 4.725 4.320 -0.017 0.000 0.270 222 K C 0.373 176.928 176.600 -0.075 0.000 1.011 222 K CA 0.704 56.962 56.287 -0.048 0.000 0.953 222 K CB 1.201 33.687 32.500 -0.022 0.000 0.956 222 K HN 0.806 nan 8.250 nan 0.000 0.477 223 G N 1.103 109.859 108.800 -0.075 0.000 2.334 223 G HA2 -0.076 3.874 3.960 -0.017 0.000 0.566 223 G HA3 -0.076 3.874 3.960 -0.017 0.000 0.566 223 G C -0.394 174.418 174.900 -0.148 0.000 1.413 223 G CA -0.800 44.240 45.100 -0.101 0.000 0.993 223 G HN 0.410 nan 8.290 nan 0.000 0.642 224 K N -0.810 119.457 120.400 -0.223 0.000 2.287 224 K HA 0.254 4.564 4.320 -0.017 0.000 0.199 224 K C 0.188 176.485 176.600 -0.505 0.000 1.061 224 K CA 1.014 57.035 56.287 -0.443 0.000 0.976 224 K CB 0.254 32.326 32.500 -0.714 0.000 0.898 224 K HN 0.532 nan 8.250 nan 0.000 0.492 225 Y N 0.066 120.373 120.300 0.011 0.000 2.536 225 Y HA 0.586 5.126 4.550 -0.017 0.000 0.347 225 Y C 0.824 176.636 175.900 -0.145 0.000 1.000 225 Y CA -1.660 56.455 58.100 0.026 0.000 1.051 225 Y CB 1.272 39.816 38.460 0.139 0.000 1.259 225 Y HN -0.050 nan 8.280 nan 0.000 0.468 226 G N 1.124 110.003 108.800 0.131 0.000 2.476 226 G HA2 0.499 4.449 3.960 -0.017 0.000 0.269 226 G HA3 0.499 4.449 3.960 -0.017 0.000 0.269 226 G C -1.222 173.673 174.900 -0.009 0.000 1.195 226 G CA -0.490 44.528 45.100 -0.138 0.000 0.843 226 G HN 0.481 nan 8.290 nan 0.000 0.545 227 F N 0.115 119.891 119.950 -0.291 0.000 2.443 227 F HA 0.493 5.010 4.527 -0.017 0.000 0.335 227 F C -0.593 174.793 175.800 -0.691 0.000 1.104 227 F CA -0.862 56.963 58.000 -0.291 0.000 1.013 227 F CB 2.028 40.916 39.000 -0.186 0.000 1.136 227 F HN 0.270 nan 8.300 nan 0.000 0.470 228 Y N -0.050 120.064 120.300 -0.310 0.000 2.477 228 Y HA 0.293 4.833 4.550 -0.016 0.000 0.347 228 Y C 0.066 175.662 175.900 -0.508 0.000 0.981 228 Y CA -1.321 56.436 58.100 -0.572 0.000 1.033 228 Y CB 2.012 39.714 38.460 -1.264 0.000 1.245 228 Y HN 0.401 nan 8.280 nan 0.000 0.455 229 T N 2.903 117.377 114.554 -0.132 0.000 2.779 229 T HA -0.026 4.314 4.350 -0.017 0.000 0.296 229 T C -0.103 174.653 174.700 0.094 0.000 0.938 229 T CA -0.153 61.938 62.100 -0.015 0.000 1.119 229 T CB -0.291 68.594 68.868 0.029 0.000 0.891 229 T HN 0.466 nan 8.240 nan 0.000 0.526 230 H N 5.150 124.281 119.070 0.102 0.000 3.432 230 H HA 0.088 4.634 4.556 -0.017 0.000 0.252 230 H C 1.144 176.620 175.328 0.247 0.000 1.397 230 H CA -0.549 55.698 56.048 0.332 0.000 1.549 230 H CB -0.382 29.560 29.762 0.301 0.000 1.699 230 H HN 0.406 nan 8.280 nan 0.000 0.523 231 V N 5.803 125.976 119.914 0.431 0.000 2.278 231 V HA -0.343 3.767 4.120 -0.017 0.000 0.251 231 V C 2.251 178.570 176.094 0.375 0.000 1.062 231 V CA 2.161 64.669 62.300 0.348 0.000 1.038 231 V CB -0.983 31.019 31.823 0.297 0.000 0.646 231 V HN 0.604 nan 8.190 nan 0.000 0.447 232 F N 1.403 121.571 119.950 0.363 0.000 2.095 232 F HA -0.187 4.330 4.527 -0.017 0.000 0.298 232 F C 2.576 178.479 175.800 0.173 0.000 1.104 232 F CA 1.714 59.871 58.000 0.263 0.000 1.232 232 F CB -0.366 38.801 39.000 0.279 0.000 0.987 232 F HN -0.013 nan 8.300 nan 0.000 0.475 233 R N 0.344 120.841 120.500 -0.005 0.000 2.249 233 R HA -0.074 4.257 4.340 -0.017 0.000 0.230 233 R C 1.564 177.770 176.300 -0.156 0.000 1.121 233 R CA 1.005 56.951 56.100 -0.257 0.000 0.997 233 R CB -0.682 29.420 30.300 -0.330 0.000 0.867 233 R HN 0.402 nan 8.270 nan 0.000 0.465 234 L N -0.252 120.957 121.223 -0.024 0.000 2.857 234 L HA 0.171 4.501 4.340 -0.017 0.000 0.249 234 L C 2.017 178.973 176.870 0.144 0.000 1.172 234 L CA -0.114 54.789 54.840 0.104 0.000 0.980 234 L CB 0.139 42.297 42.059 0.165 0.000 1.299 234 L HN -0.033 nan 8.230 nan 0.000 0.535 235 K N 0.973 121.347 120.400 -0.044 0.000 2.057 235 K HA -0.147 4.164 4.320 -0.017 0.000 0.207 235 K C 2.098 178.664 176.600 -0.058 0.000 1.049 235 K CA 1.361 57.617 56.287 -0.052 0.000 0.931 235 K CB 0.156 32.565 32.500 -0.153 0.000 0.714 235 K HN 0.230 nan 8.250 nan 0.000 0.440 236 R N -0.745 119.708 120.500 -0.079 0.000 2.105 236 R HA -0.191 4.139 4.340 -0.017 0.000 0.239 236 R C 2.036 178.327 176.300 -0.015 0.000 1.135 236 R CA 1.874 57.941 56.100 -0.055 0.000 0.967 236 R CB -0.400 29.872 30.300 -0.046 0.000 0.861 236 R HN 0.431 nan 8.270 nan 0.000 0.442 237 W N 1.238 122.497 121.300 -0.068 0.000 2.388 237 W HA -0.073 4.575 4.660 -0.020 0.000 0.294 237 W C 1.544 177.999 176.519 -0.105 0.000 1.212 237 W CA 1.017 58.326 57.345 -0.061 0.000 1.271 237 W CB -0.208 29.278 29.460 0.042 0.000 1.126 237 W HN -0.065 nan 8.180 nan 0.000 0.535 238 I N 0.571 121.005 120.570 -0.227 0.000 2.163 238 I HA -0.377 3.783 4.170 -0.017 0.000 0.243 238 I C 2.726 178.492 176.117 -0.585 0.000 1.085 238 I CA 2.067 63.053 61.300 -0.523 0.000 1.347 238 I CB -0.753 37.140 38.000 -0.178 0.000 1.044 238 I HN 0.148 nan 8.210 nan 0.000 0.408 239 Q N 1.331 120.911 119.800 -0.366 0.000 2.050 239 Q HA -0.281 4.049 4.340 -0.017 0.000 0.202 239 Q C 2.303 178.077 176.000 -0.376 0.000 0.980 239 Q CA 1.780 57.385 55.803 -0.331 0.000 0.840 239 Q CB -0.054 28.562 28.738 -0.202 0.000 0.898 239 Q HN 0.329 nan 8.270 nan 0.000 0.424 240 K N -0.208 119.975 120.400 -0.362 0.000 2.020 240 K HA -0.181 4.129 4.320 -0.017 0.000 0.212 240 K C 1.973 178.314 176.600 -0.432 0.000 1.050 240 K CA 1.812 57.902 56.287 -0.328 0.000 0.929 240 K CB -0.169 32.176 32.500 -0.259 0.000 0.714 240 K HN 0.161 nan 8.250 nan 0.000 0.443 241 V N 1.788 121.293 119.914 -0.681 0.000 2.255 241 V HA -0.283 3.827 4.120 -0.017 0.000 0.247 241 V C 2.392 178.117 176.094 -0.615 0.000 1.051 241 V CA 1.997 63.857 62.300 -0.733 0.000 1.018 241 V CB -0.355 30.805 31.823 -1.105 0.000 0.641 241 V HN 0.341 nan 8.190 nan 0.000 0.445 242 I N -0.182 119.957 120.570 -0.718 0.000 2.226 242 I HA -0.212 3.948 4.170 -0.017 0.000 0.245 242 I C 2.346 178.192 176.117 -0.452 0.000 1.100 242 I CA 1.473 62.401 61.300 -0.621 0.000 1.374 242 I CB -0.560 36.963 38.000 -0.795 0.000 1.057 242 I HN 0.322 nan 8.210 nan 0.000 0.413 243 D N 0.586 120.741 120.400 -0.407 0.000 2.106 243 D HA -0.281 4.349 4.640 -0.017 0.000 0.191 243 D C 2.103 178.170 176.300 -0.389 0.000 0.997 243 D CA 1.632 55.417 54.000 -0.358 0.000 0.834 243 D CB -0.282 40.366 40.800 -0.254 0.000 0.956 243 D HN 0.466 nan 8.370 nan 0.000 0.448 244 Q N -0.908 118.724 119.800 -0.280 0.000 2.389 244 Q HA -0.079 4.252 4.340 -0.017 0.000 0.204 244 Q C -0.090 175.905 176.000 -0.010 0.000 0.944 244 Q CA 0.302 56.009 55.803 -0.160 0.000 0.908 244 Q CB 0.202 28.880 28.738 -0.100 0.000 1.002 244 Q HN 0.085 nan 8.270 nan 0.000 0.493 245 F N -0.557 119.338 119.950 -0.092 0.000 2.937 245 F HA -0.117 4.403 4.527 -0.012 0.000 0.290 245 F C 0.664 176.406 175.800 -0.097 0.000 0.802 245 F CA 1.174 59.174 58.000 0.001 0.000 1.336 245 F CB -1.693 37.364 39.000 0.094 0.000 1.438 245 F HN 0.451 nan 8.300 nan 0.000 0.469 246 G N 0.000 108.715 108.800 -0.142 0.000 5.446 246 G HA2 0.000 3.950 3.960 -0.017 0.000 0.244 246 G HA3 0.000 3.950 3.960 -0.017 0.000 0.244 246 G CA 0.000 45.023 45.100 -0.128 0.000 0.502 246 G HN 0.000 nan 8.290 nan 0.000 0.925