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 4htc_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 0.000 176.137 176.117 0.034 0.000 1.063 16 I CA 0.000 61.327 61.300 0.044 0.000 1.566 16 I CB 0.000 38.012 38.000 0.020 0.000 1.214 17 V N 5.708 125.652 119.914 0.051 0.000 2.364 17 V HA 0.403 4.523 4.120 -0.000 0.000 0.272 17 V C 0.636 176.758 176.094 0.047 0.000 1.036 17 V CA -0.244 62.084 62.300 0.047 0.000 0.880 17 V CB 0.955 32.815 31.823 0.061 0.000 0.991 17 V HN 0.868 nan 8.190 nan 0.000 0.460 18 E N 2.033 122.250 120.200 0.029 0.000 2.553 18 E HA -0.169 4.181 4.350 -0.000 0.000 0.264 18 E C 0.568 177.187 176.600 0.031 0.000 1.068 18 E CA 0.994 57.410 56.400 0.028 0.000 0.774 18 E CB -1.211 28.514 29.700 0.041 0.000 1.349 18 E HN 0.974 nan 8.360 nan 0.000 0.404 19 G N -0.265 108.547 108.800 0.020 0.000 2.736 19 G HA2 0.747 4.707 3.960 -0.000 0.000 0.229 19 G HA3 0.747 4.707 3.960 -0.000 0.000 0.229 19 G C -0.065 174.834 174.900 -0.002 0.000 1.380 19 G CA 0.392 45.501 45.100 0.014 0.000 1.040 19 G HN 0.372 nan 8.290 nan 0.000 0.568 20 S N -1.311 114.381 115.700 -0.014 0.000 2.656 20 S HA 0.485 4.955 4.470 -0.000 0.000 0.273 20 S C -1.930 172.652 174.600 -0.030 0.000 1.168 20 S CA -0.929 57.261 58.200 -0.017 0.000 0.817 20 S CB 1.759 64.954 63.200 -0.008 0.000 1.146 20 S HN 0.371 nan 8.310 nan 0.000 0.475 21 D N 1.594 121.983 120.400 -0.019 0.000 2.425 21 D HA 0.532 5.172 4.640 -0.000 0.000 0.247 21 D C 0.440 176.745 176.300 0.010 0.000 1.147 21 D CA 0.276 54.271 54.000 -0.008 0.000 0.879 21 D CB 0.731 41.545 40.800 0.024 0.000 1.179 21 D HN 0.849 nan 8.370 nan 0.000 0.456 22 A N 2.802 125.631 122.820 0.015 0.000 2.386 22 A HA 0.216 4.536 4.320 -0.000 0.000 0.248 22 A C 0.436 178.059 177.584 0.064 0.000 1.082 22 A CA -0.435 51.599 52.037 -0.006 0.000 0.789 22 A CB 0.266 19.227 19.000 -0.065 0.000 1.025 22 A HN 0.546 nan 8.150 nan 0.000 0.490 23 E N 0.917 121.087 120.200 -0.051 0.000 2.349 23 E HA 0.244 4.594 4.350 -0.000 0.000 0.265 23 E C -0.191 176.267 176.600 -0.236 0.000 1.064 23 E CA -0.689 55.642 56.400 -0.115 0.000 0.886 23 E CB 0.624 30.264 29.700 -0.100 0.000 1.036 23 E HN 0.462 nan 8.360 nan 0.000 0.413 24 I N 2.017 122.368 120.570 -0.366 0.000 2.845 24 I HA -0.119 4.051 4.170 -0.000 0.000 0.296 24 I C 1.628 177.650 176.117 -0.157 0.000 1.216 24 I CA 1.227 62.316 61.300 -0.352 0.000 1.438 24 I CB -0.657 37.218 38.000 -0.208 0.000 1.342 24 I HN 0.964 nan 8.210 nan 0.000 0.577 25 G N 5.579 114.326 108.800 -0.088 0.000 2.186 25 G HA2 -0.384 3.575 3.960 -0.000 0.000 0.266 25 G HA3 -0.384 3.575 3.960 -0.000 0.000 0.266 25 G C 0.983 175.713 174.900 -0.283 0.000 0.982 25 G CA 0.880 45.897 45.100 -0.138 0.000 0.670 25 G HN 0.787 nan 8.290 nan 0.000 0.533 26 M N -1.280 118.142 119.600 -0.295 0.000 2.374 26 M HA 0.389 4.869 4.480 -0.000 0.000 0.264 26 M C 1.229 177.118 176.300 -0.685 0.000 1.067 26 M CA 2.164 57.233 55.300 -0.384 0.000 1.103 26 M CB 0.386 32.823 32.600 -0.272 0.000 1.402 26 M HN 0.395 nan 8.290 nan 0.000 0.444 27 S N 1.019 116.276 115.700 -0.737 0.000 2.317 27 S HA 0.404 4.874 4.470 -0.000 0.000 0.144 27 S C -2.199 171.743 174.600 -1.097 0.000 1.660 27 S CA -1.262 56.189 58.200 -1.247 0.000 1.273 27 S CB 0.609 63.367 63.200 -0.738 0.000 1.330 27 S HN 0.162 nan 8.310 nan 0.000 0.395 28 P HA 0.047 nan 4.420 nan 0.000 0.230 28 P C 0.788 177.983 177.300 -0.175 0.000 1.158 28 P CA 0.500 63.331 63.100 -0.448 0.000 0.769 28 P CB -0.273 31.249 31.700 -0.297 0.000 0.807 29 W N -0.927 120.357 121.300 -0.028 0.000 3.077 29 W HA 0.355 5.015 4.660 -0.000 0.000 0.266 29 W C 0.572 177.112 176.519 0.036 0.000 1.300 29 W CA -0.463 56.878 57.345 -0.006 0.000 1.586 29 W CB -1.476 27.968 29.460 -0.027 0.000 1.103 29 W HN -0.176 nan 8.180 nan 0.000 0.652 30 Q N 2.363 122.198 119.800 0.058 0.000 2.300 30 Q HA 0.304 4.643 4.340 -0.000 0.000 0.280 30 Q C -0.761 175.378 176.000 0.232 0.000 1.033 30 Q CA 0.288 56.167 55.803 0.126 0.000 0.903 30 Q CB 0.916 29.606 28.738 -0.080 0.000 1.195 30 Q HN 0.122 nan 8.270 nan 0.000 0.386 31 V N 5.383 125.474 119.914 0.296 0.000 2.769 31 V HA 0.455 4.574 4.120 -0.000 0.000 0.312 31 V C -0.367 175.958 176.094 0.386 0.000 1.061 31 V CA -0.930 61.550 62.300 0.301 0.000 0.931 31 V CB 1.981 33.942 31.823 0.230 0.000 1.010 31 V HN 0.944 nan 8.190 nan 0.000 0.433 32 M N 4.220 123.977 119.600 0.262 0.000 2.180 32 M HA 0.533 5.013 4.480 -0.000 0.000 0.350 32 M C -1.466 174.915 176.300 0.136 0.000 1.125 32 M CA -0.543 54.841 55.300 0.140 0.000 1.031 32 M CB 1.029 33.474 32.600 -0.259 0.000 1.623 32 M HN 0.545 nan 8.290 nan 0.000 0.451 33 L N 5.756 127.077 121.223 0.164 0.000 2.255 33 L HA 0.398 4.738 4.340 -0.000 0.000 0.289 33 L C -1.377 175.600 176.870 0.180 0.000 1.046 33 L CA -0.295 54.635 54.840 0.149 0.000 0.816 33 L CB 0.708 42.840 42.059 0.122 0.000 1.197 33 L HN 0.660 nan 8.230 nan 0.000 0.427 34 F N 4.809 124.749 119.950 -0.018 0.000 2.467 34 F HA 0.441 4.968 4.527 -0.000 0.000 0.336 34 F C 0.507 176.289 175.800 -0.030 0.000 1.123 34 F CA -0.562 57.414 58.000 -0.040 0.000 0.964 34 F CB 0.917 39.875 39.000 -0.070 0.000 1.136 34 F HN 0.403 nan 8.300 nan 0.000 0.447 35 R N 2.026 122.245 120.500 -0.469 0.000 2.828 35 R HA 0.159 4.499 4.340 -0.000 0.000 0.270 35 R C -0.210 175.789 176.300 -0.501 0.000 1.244 35 R CA -0.143 55.718 56.100 -0.398 0.000 1.143 35 R CB 0.925 30.991 30.300 -0.389 0.000 1.128 35 R HN 0.638 nan 8.270 nan 0.000 0.587 36 S N 2.032 117.654 115.700 -0.131 0.000 2.506 36 S HA 0.127 4.597 4.470 -0.000 0.000 0.291 36 S C -1.973 172.567 174.600 -0.101 0.000 1.230 36 S CA -1.163 56.976 58.200 -0.102 0.000 1.107 36 S CB 0.086 63.248 63.200 -0.063 0.000 0.942 36 S HN 0.236 nan 8.310 nan 0.000 0.502 37 P HA 0.182 nan 4.420 nan 0.000 0.277 37 P C -0.819 176.356 177.300 -0.209 0.000 1.240 37 P CA -0.506 62.524 63.100 -0.116 0.000 0.798 37 P CB 0.372 32.016 31.700 -0.092 0.000 0.979 38 Q N 1.449 121.116 119.800 -0.223 0.000 2.247 38 Q HA 0.125 4.465 4.340 -0.000 0.000 0.288 38 Q C 0.321 176.050 176.000 -0.452 0.000 1.079 38 Q CA 0.771 56.310 55.803 -0.439 0.000 0.932 38 Q CB -0.019 28.639 28.738 -0.133 0.000 1.133 38 Q HN 0.485 nan 8.270 nan 0.000 0.377 39 E N 1.774 121.511 120.200 -0.773 0.000 2.388 39 E HA 0.293 4.642 4.350 -0.000 0.000 0.281 39 E C -1.541 174.858 176.600 -0.335 0.000 1.046 39 E CA -0.895 55.284 56.400 -0.369 0.000 0.825 39 E CB 0.707 30.295 29.700 -0.187 0.000 1.243 39 E HN 0.455 nan 8.360 nan 0.000 0.438 40 L N 3.843 125.034 121.223 -0.053 0.000 2.315 40 L HA 0.245 4.585 4.340 -0.000 0.000 0.283 40 L C 0.085 176.980 176.870 0.041 0.000 1.089 40 L CA -0.367 54.512 54.840 0.064 0.000 0.833 40 L CB 0.252 42.367 42.059 0.093 0.000 1.170 40 L HN 0.747 nan 8.230 nan 0.000 0.442 41 L N 4.816 126.065 121.223 0.044 0.000 2.102 41 L HA 0.114 4.454 4.340 -0.000 0.000 0.202 41 L C 0.498 177.432 176.870 0.107 0.000 1.076 41 L CA 0.442 55.314 54.840 0.053 0.000 0.761 41 L CB 0.016 42.090 42.059 0.024 0.000 0.921 41 L HN 0.634 nan 8.230 nan 0.000 0.444 42 c N -2.373 116.308 118.600 0.136 0.000 3.259 42 c HA 0.552 5.122 4.570 -0.000 0.000 0.344 42 c C 0.364 174.587 174.090 0.221 0.000 1.401 42 c CA -1.075 55.357 56.329 0.171 0.000 1.219 42 c CB 0.830 43.410 42.510 0.116 0.000 1.521 42 c HN 0.430 nan 8.230 nan 0.000 0.455 43 G N 0.049 108.996 108.800 0.245 0.000 2.535 43 G HA2 0.874 4.834 3.960 -0.000 0.000 0.303 43 G HA3 0.874 4.834 3.960 -0.000 0.000 0.303 43 G C -0.567 174.470 174.900 0.228 0.000 1.237 43 G CA 0.455 45.730 45.100 0.292 0.000 0.986 43 G HN 1.753 nan 8.290 nan 0.000 0.494 44 A N -1.163 121.802 122.820 0.241 0.000 2.483 44 A HA 0.813 5.133 4.320 -0.000 0.000 0.294 44 A C -0.519 177.211 177.584 0.243 0.000 1.077 44 A CA 0.178 52.347 52.037 0.219 0.000 0.633 44 A CB 0.915 20.034 19.000 0.198 0.000 1.318 44 A HN 2.165 nan 8.150 nan 0.000 0.455 45 S N -0.281 115.559 115.700 0.233 0.000 2.540 45 S HA 0.666 5.136 4.470 -0.000 0.000 0.275 45 S C -1.047 173.684 174.600 0.219 0.000 1.123 45 S CA -0.588 57.761 58.200 0.249 0.000 0.907 45 S CB 1.355 64.687 63.200 0.219 0.000 1.081 45 S HN 1.180 nan 8.310 nan 0.000 0.476 46 L N 3.893 125.254 121.223 0.229 0.000 2.315 46 L HA 0.428 4.768 4.340 -0.000 0.000 0.283 46 L C 0.644 177.601 176.870 0.145 0.000 1.089 46 L CA -0.444 54.516 54.840 0.200 0.000 0.833 46 L CB 0.655 42.832 42.059 0.196 0.000 1.170 46 L HN 0.959 nan 8.230 nan 0.000 0.442 47 I N 0.942 121.607 120.570 0.157 0.000 4.181 47 I HA 0.263 4.433 4.170 -0.000 0.000 0.331 47 I C 0.486 176.669 176.117 0.111 0.000 1.312 47 I CA -0.083 61.277 61.300 0.100 0.000 1.146 47 I CB 0.698 38.755 38.000 0.095 0.000 1.074 47 I HN 0.533 nan 8.210 nan 0.000 0.402 48 S N 0.580 116.399 115.700 0.198 0.000 2.655 48 S HA 0.150 4.620 4.470 -0.000 0.000 0.266 48 S C -0.196 174.621 174.600 0.361 0.000 1.149 48 S CA -0.014 58.343 58.200 0.260 0.000 0.818 48 S CB 0.759 64.105 63.200 0.242 0.000 1.130 48 S HN 0.318 nan 8.310 nan 0.000 0.476 49 D N -0.176 120.443 120.400 0.364 0.000 2.378 49 D HA 0.064 4.704 4.640 -0.000 0.000 0.227 49 D C 0.998 177.353 176.300 0.093 0.000 1.012 49 D CA 0.364 54.487 54.000 0.205 0.000 0.905 49 D CB -0.130 40.577 40.800 -0.154 0.000 0.895 49 D HN 0.538 nan 8.370 nan 0.000 0.532 50 R N -1.899 118.666 120.500 0.109 0.000 2.591 50 R HA 0.161 4.501 4.340 -0.000 0.000 0.288 50 R C -0.697 175.472 176.300 -0.218 0.000 0.947 50 R CA -0.347 55.700 56.100 -0.088 0.000 1.085 50 R CB 0.775 30.958 30.300 -0.195 0.000 1.618 50 R HN -0.012 nan 8.270 nan 0.000 0.524 51 W N 0.614 121.952 121.300 0.063 0.000 2.632 51 W HA 0.510 5.170 4.660 -0.000 0.000 0.328 51 W C -0.649 175.921 176.519 0.085 0.000 1.044 51 W CA -0.627 56.752 57.345 0.058 0.000 1.225 51 W CB 1.778 31.244 29.460 0.010 0.000 1.396 51 W HN -0.357 nan 8.180 nan 0.000 0.499 52 V N 4.846 124.952 119.914 0.320 0.000 2.487 52 V HA 0.414 4.533 4.120 -0.000 0.000 0.298 52 V C -0.843 175.415 176.094 0.273 0.000 1.028 52 V CA -1.066 61.385 62.300 0.251 0.000 0.860 52 V CB 1.421 33.357 31.823 0.188 0.000 0.991 52 V HN 0.363 nan 8.190 nan 0.000 0.427 53 L N 4.761 126.127 121.223 0.239 0.000 2.296 53 L HA 0.847 5.187 4.340 -0.000 0.000 0.286 53 L C -0.025 176.968 176.870 0.206 0.000 1.023 53 L CA 0.964 55.945 54.840 0.234 0.000 0.812 53 L CB 1.732 43.917 42.059 0.211 0.000 1.223 53 L HN 0.821 nan 8.230 nan 0.000 0.421 54 T N 3.066 117.735 114.554 0.192 0.000 2.696 54 T HA 0.841 5.191 4.350 -0.000 0.000 0.291 54 T C -1.052 173.695 174.700 0.078 0.000 1.095 54 T CA -0.079 62.099 62.100 0.131 0.000 1.026 54 T CB 1.316 70.245 68.868 0.101 0.000 1.390 54 T HN 0.855 nan 8.240 nan 0.000 0.513 55 A N 0.492 123.296 122.820 -0.027 0.000 2.316 55 A HA 0.720 5.040 4.320 -0.000 0.000 0.284 55 A C 1.452 178.869 177.584 -0.279 0.000 1.115 55 A CA 0.241 52.197 52.037 -0.134 0.000 0.812 55 A CB 0.243 19.143 19.000 -0.166 0.000 1.064 55 A HN 1.114 nan 8.150 nan 0.000 0.489 56 A N 1.104 123.715 122.820 -0.348 0.000 1.902 56 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 56 A C 1.835 179.126 177.584 -0.488 0.000 1.181 56 A CA 1.785 53.482 52.037 -0.566 0.000 0.623 56 A CB -1.123 17.134 19.000 -1.239 0.000 0.818 56 A HN 1.118 nan 8.150 nan 0.000 0.443 57 H N -0.959 117.976 119.070 -0.225 0.000 2.489 57 H HA -0.145 4.411 4.556 -0.000 0.000 0.295 57 H C 1.876 177.227 175.328 0.039 0.000 1.082 57 H CA 1.544 57.623 56.048 0.051 0.000 1.295 57 H CB -1.013 28.854 29.762 0.176 0.000 1.380 57 H HN 0.448 nan 8.280 nan 0.000 0.548 58 c N 1.189 119.497 118.600 -0.486 0.000 2.435 58 c HA 0.125 4.695 4.570 -0.000 0.000 0.279 58 c C 1.638 175.693 174.090 -0.059 0.000 1.321 58 c CA -0.056 56.159 56.329 -0.189 0.000 1.752 58 c CB -0.803 41.602 42.510 -0.176 0.000 1.959 58 c HN 0.321 nan 8.230 nan 0.000 0.500 59 L N 0.425 121.610 121.223 -0.063 0.000 2.358 59 L HA 0.443 4.782 4.340 -0.000 0.000 0.268 59 L C 0.702 177.572 176.870 -0.000 0.000 1.032 59 L CA -0.175 54.654 54.840 -0.019 0.000 0.805 59 L CB 0.743 42.799 42.059 -0.004 0.000 1.253 59 L HN 0.120 nan 8.230 nan 0.000 0.452 60 T N -3.378 111.165 114.554 -0.019 0.000 2.902 60 T HA 0.181 4.531 4.350 -0.000 0.000 0.280 60 T C 0.916 175.603 174.700 -0.021 0.000 0.992 60 T CA -0.749 61.338 62.100 -0.022 0.000 1.015 60 T CB 1.189 70.043 68.868 -0.023 0.000 1.044 60 T HN 0.583 nan 8.240 nan 0.000 0.520 61 E N 1.566 121.749 120.200 -0.027 0.000 2.147 61 E HA -0.213 4.137 4.350 -0.000 0.000 0.199 61 E C 1.568 178.156 176.600 -0.019 0.000 1.005 61 E CA 1.525 57.909 56.400 -0.026 0.000 0.810 61 E CB -0.784 28.892 29.700 -0.039 0.000 0.736 61 E HN 0.707 nan 8.360 nan 0.000 0.460 62 N N 1.083 119.771 118.700 -0.020 0.000 2.494 62 N HA -0.063 4.677 4.740 -0.000 0.000 0.182 62 N C 0.605 176.104 175.510 -0.018 0.000 1.076 62 N CA 0.666 53.706 53.050 -0.018 0.000 0.908 62 N CB 0.081 38.556 38.487 -0.019 0.000 0.967 62 N HN 0.205 nan 8.380 nan 0.000 0.449 63 D N 0.614 121.002 120.400 -0.020 0.000 2.323 63 D HA 0.064 4.704 4.640 -0.000 0.000 0.209 63 D C 0.393 176.677 176.300 -0.026 0.000 0.973 63 D CA 0.547 54.531 54.000 -0.028 0.000 0.874 63 D CB 0.442 41.223 40.800 -0.031 0.000 0.930 63 D HN 0.198 nan 8.370 nan 0.000 0.521 64 L N -0.477 120.741 121.223 -0.007 0.000 2.327 64 L HA 0.518 4.858 4.340 -0.000 0.000 0.258 64 L C -0.480 176.416 176.870 0.042 0.000 1.024 64 L CA -0.860 53.988 54.840 0.014 0.000 0.825 64 L CB 1.721 43.790 42.059 0.017 0.000 1.386 64 L HN -0.319 nan 8.230 nan 0.000 0.417 65 L N 0.637 121.914 121.223 0.089 0.000 2.323 65 L HA 0.802 5.141 4.340 -0.000 0.000 0.265 65 L C -0.993 175.949 176.870 0.120 0.000 1.012 65 L CA -1.072 53.832 54.840 0.107 0.000 0.820 65 L CB 2.454 44.601 42.059 0.146 0.000 1.334 65 L HN 0.265 nan 8.230 nan 0.000 0.427 66 V N 2.004 121.968 119.914 0.084 0.000 2.487 66 V HA 0.486 4.606 4.120 -0.000 0.000 0.298 66 V C -0.565 175.559 176.094 0.051 0.000 1.028 66 V CA -0.485 61.864 62.300 0.081 0.000 0.860 66 V CB 1.953 33.824 31.823 0.081 0.000 0.991 66 V HN 0.654 nan 8.190 nan 0.000 0.427 67 R N 6.056 126.577 120.500 0.035 0.000 2.360 67 R HA 0.690 5.030 4.340 -0.000 0.000 0.318 67 R C -1.161 175.170 176.300 0.052 0.000 0.950 67 R CA -0.421 55.671 56.100 -0.014 0.000 0.837 67 R CB 1.764 31.974 30.300 -0.150 0.000 1.165 67 R HN 0.586 nan 8.270 nan 0.000 0.458 68 I N 0.329 120.944 120.570 0.075 0.000 2.603 68 I HA 0.466 4.636 4.170 -0.000 0.000 0.300 68 I C 1.005 177.195 176.117 0.121 0.000 1.017 68 I CA -0.746 60.629 61.300 0.124 0.000 1.098 68 I CB 2.106 40.191 38.000 0.140 0.000 1.279 68 I HN 0.839 nan 8.210 nan 0.000 0.437 69 G N 3.059 111.950 108.800 0.151 0.000 2.137 69 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.237 69 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.237 69 G C 0.040 175.007 174.900 0.110 0.000 1.002 69 G CA -0.336 44.855 45.100 0.152 0.000 0.702 69 G HN 0.604 nan 8.290 nan 0.000 0.515 70 K N -0.952 119.547 120.400 0.165 0.000 2.174 70 K HA 0.489 4.808 4.320 -0.000 0.000 0.275 70 K C 0.852 177.671 176.600 0.365 0.000 1.015 70 K CA -0.428 55.978 56.287 0.199 0.000 0.933 70 K CB 1.153 33.746 32.500 0.156 0.000 1.025 70 K HN 0.341 nan 8.250 nan 0.000 0.463 71 H N 0.384 119.558 119.070 0.174 0.000 2.338 71 H HA 0.115 4.671 4.556 -0.000 0.000 0.291 71 H C 0.168 175.688 175.328 0.319 0.000 0.989 71 H CA 0.447 56.597 56.048 0.169 0.000 1.281 71 H CB 0.255 30.036 29.762 0.031 0.000 1.484 71 H HN 0.454 nan 8.280 nan 0.000 0.576 72 S N 1.032 116.790 115.700 0.097 0.000 2.516 72 S HA 0.044 4.514 4.470 -0.000 0.000 0.282 72 S C 1.560 176.144 174.600 -0.027 0.000 1.286 72 S CA -0.069 58.136 58.200 0.008 0.000 1.066 72 S CB 0.387 63.572 63.200 -0.025 0.000 0.884 72 S HN 0.581 nan 8.310 nan 0.000 0.491 73 R N 2.840 123.322 120.500 -0.031 0.000 2.081 73 R HA -0.088 4.252 4.340 -0.000 0.000 0.235 73 R C 1.677 177.791 176.300 -0.310 0.000 1.131 73 R CA 2.239 58.122 56.100 -0.361 0.000 0.960 73 R CB -0.540 29.733 30.300 -0.046 0.000 0.856 73 R HN 0.777 nan 8.270 nan 0.000 0.436 74 T N -2.811 111.654 114.554 -0.148 0.000 2.985 74 T HA 0.298 4.648 4.350 -0.000 0.000 0.254 74 T C 0.583 175.238 174.700 -0.075 0.000 1.021 74 T CA -0.552 61.490 62.100 -0.097 0.000 0.957 74 T CB 0.204 69.051 68.868 -0.034 0.000 1.047 74 T HN 0.098 nan 8.240 nan 0.000 0.511 75 R N 0.473 120.932 120.500 -0.068 0.000 2.560 75 R HA 0.517 4.857 4.340 -0.000 0.000 0.270 75 R C -0.364 175.931 176.300 -0.008 0.000 1.074 75 R CA -0.765 55.317 56.100 -0.031 0.000 1.140 75 R CB 0.430 30.706 30.300 -0.039 0.000 1.073 75 R HN 0.248 nan 8.270 nan 0.000 0.527 76 Y N 0.286 120.511 120.300 -0.125 0.000 2.378 76 Y HA 0.256 4.806 4.550 -0.000 0.000 0.351 76 Y C 0.733 176.569 175.900 -0.107 0.000 1.351 76 Y CA -0.694 57.325 58.100 -0.135 0.000 1.616 76 Y CB 0.884 39.276 38.460 -0.113 0.000 1.622 76 Y HN 0.520 nan 8.280 nan 0.000 0.568 77 R N -0.791 119.223 120.500 -0.810 0.000 4.548 77 R HA 0.186 4.526 4.340 -0.000 0.000 0.077 77 R C 0.246 176.345 176.300 -0.335 0.000 0.695 77 R CA 0.399 56.045 56.100 -0.756 0.000 1.570 77 R CB -0.167 29.836 30.300 -0.496 0.000 1.517 77 R HN 0.641 nan 8.270 nan 0.000 0.411 78 N N -0.038 118.519 118.700 -0.238 0.000 2.320 78 N HA 0.356 5.096 4.740 -0.000 0.000 0.237 78 N C 0.282 175.719 175.510 -0.122 0.000 1.129 78 N CA 0.146 53.118 53.050 -0.129 0.000 0.854 78 N CB 0.714 39.151 38.487 -0.083 0.000 1.083 78 N HN 0.190 nan 8.380 nan 0.000 0.504 79 I N -0.692 119.765 120.570 -0.189 0.000 4.046 79 I HA 0.044 4.214 4.170 -0.000 0.000 0.285 79 I C 0.502 176.551 176.117 -0.114 0.000 1.183 79 I CA -0.010 61.149 61.300 -0.235 0.000 1.337 79 I CB 0.408 38.114 38.000 -0.490 0.000 1.478 79 I HN 0.144 nan 8.210 nan 0.000 0.452 80 E N 2.444 122.577 120.200 -0.112 0.000 2.318 80 E HA 0.393 4.743 4.350 -0.000 0.000 0.265 80 E C -0.808 175.812 176.600 0.034 0.000 1.069 80 E CA -0.608 55.782 56.400 -0.017 0.000 0.893 80 E CB 1.167 30.856 29.700 -0.019 0.000 1.076 80 E HN -0.102 nan 8.360 nan 0.000 0.414 81 K N 2.060 122.496 120.400 0.061 0.000 2.323 81 K HA 0.425 4.745 4.320 -0.000 0.000 0.259 81 K C -1.154 175.479 176.600 0.055 0.000 0.947 81 K CA -0.325 56.003 56.287 0.068 0.000 0.819 81 K CB 1.471 34.021 32.500 0.083 0.000 1.109 81 K HN 0.470 nan 8.250 nan 0.000 0.429 82 I N 2.003 122.599 120.570 0.044 0.000 2.362 82 I HA 0.379 4.549 4.170 -0.000 0.000 0.289 82 I C -0.529 175.599 176.117 0.018 0.000 0.994 82 I CA -0.383 60.927 61.300 0.016 0.000 1.158 82 I CB 1.833 39.822 38.000 -0.019 0.000 1.315 82 I HN 0.405 nan 8.210 nan 0.000 0.451 83 S N 6.690 122.403 115.700 0.022 0.000 2.536 83 S HA 0.659 5.129 4.470 -0.000 0.000 0.287 83 S C -0.395 174.213 174.600 0.013 0.000 1.101 83 S CA -0.959 57.251 58.200 0.015 0.000 0.950 83 S CB 1.874 65.086 63.200 0.019 0.000 1.056 83 S HN 0.442 nan 8.310 nan 0.000 0.481 84 M N 2.452 122.051 119.600 -0.001 0.000 2.274 84 M HA 0.428 4.908 4.480 -0.000 0.000 0.344 84 M C -0.752 175.536 176.300 -0.020 0.000 1.161 84 M CA -0.400 54.896 55.300 -0.006 0.000 1.126 84 M CB 0.310 32.902 32.600 -0.012 0.000 1.522 84 M HN 0.385 nan 8.290 nan 0.000 0.461 85 L N 1.682 122.893 121.223 -0.020 0.000 2.326 85 L HA 0.212 4.552 4.340 -0.000 0.000 0.278 85 L C 1.174 178.011 176.870 -0.055 0.000 1.092 85 L CA -0.049 54.768 54.840 -0.038 0.000 0.810 85 L CB 1.028 43.075 42.059 -0.019 0.000 1.153 85 L HN 0.861 nan 8.230 nan 0.000 0.439 86 E N 1.723 121.874 120.200 -0.083 0.000 2.102 86 E HA 0.088 4.438 4.350 -0.000 0.000 0.190 86 E C 0.165 176.717 176.600 -0.080 0.000 0.971 86 E CA 0.714 57.066 56.400 -0.081 0.000 0.821 86 E CB 0.703 30.343 29.700 -0.101 0.000 0.777 86 E HN 0.374 nan 8.360 nan 0.000 0.460 87 K N -0.060 120.282 120.400 -0.097 0.000 2.575 87 K HA 0.394 4.714 4.320 -0.000 0.000 0.279 87 K C -1.601 174.907 176.600 -0.153 0.000 0.969 87 K CA -0.564 55.632 56.287 -0.151 0.000 0.868 87 K CB 1.711 34.104 32.500 -0.178 0.000 1.457 87 K HN -0.064 nan 8.250 nan 0.000 0.426 88 I N 1.601 122.001 120.570 -0.283 0.000 2.740 88 I HA 0.438 4.608 4.170 -0.000 0.000 0.303 88 I C -1.360 174.545 176.117 -0.353 0.000 1.044 88 I CA -0.866 60.353 61.300 -0.135 0.000 1.064 88 I CB 1.580 39.564 38.000 -0.027 0.000 1.249 88 I HN 0.448 nan 8.210 nan 0.000 0.433 89 Y N 5.165 125.614 120.300 0.249 0.000 2.354 89 Y HA 0.559 5.109 4.550 -0.000 0.000 0.330 89 Y C -0.703 175.459 175.900 0.437 0.000 1.011 89 Y CA -0.609 57.702 58.100 0.352 0.000 1.099 89 Y CB 1.520 40.217 38.460 0.395 0.000 1.179 89 Y HN 0.251 nan 8.280 nan 0.000 0.442 90 I N 3.080 123.912 120.570 0.437 0.000 2.412 90 I HA 0.203 4.372 4.170 -0.000 0.000 0.296 90 I C 0.213 176.402 176.117 0.121 0.000 0.987 90 I CA -0.688 60.755 61.300 0.240 0.000 1.180 90 I CB 0.825 38.919 38.000 0.157 0.000 1.340 90 I HN 0.608 nan 8.210 nan 0.000 0.455 91 H N 8.164 126.959 119.070 -0.459 0.000 3.034 91 H HA 0.046 4.602 4.556 -0.000 0.000 0.324 91 H C -1.738 173.472 175.328 -0.197 0.000 1.015 91 H CA -0.943 54.604 56.048 -0.835 0.000 1.429 91 H CB 1.316 30.490 29.762 -0.979 0.000 1.429 91 H HN 0.363 nan 8.280 nan 0.000 0.585 92 P HA -0.092 nan 4.420 nan 0.000 0.220 92 P C 0.500 177.878 177.300 0.129 0.000 1.148 92 P CA 1.271 64.362 63.100 -0.015 0.000 0.803 92 P CB 0.241 31.905 31.700 -0.059 0.000 0.782 93 R N -1.697 119.007 120.500 0.340 0.000 2.515 93 R HA 0.129 4.469 4.340 -0.000 0.000 0.294 93 R C 0.164 176.548 176.300 0.140 0.000 1.021 93 R CA -0.508 55.718 56.100 0.210 0.000 1.081 93 R CB -0.996 29.412 30.300 0.181 0.000 1.263 93 R HN 0.148 nan 8.270 nan 0.000 0.557 94 Y N 1.622 121.969 120.300 0.077 0.000 2.650 94 Y HA 0.098 4.648 4.550 -0.000 0.000 0.342 94 Y C -0.272 175.625 175.900 -0.005 0.000 1.110 94 Y CA -1.296 56.810 58.100 0.010 0.000 1.438 94 Y CB -0.070 38.431 38.460 0.068 0.000 1.181 94 Y HN -0.062 nan 8.280 nan 0.000 0.526 95 N N 8.628 127.134 118.700 -0.323 0.000 2.767 95 N HA 0.064 4.803 4.740 -0.000 0.000 0.238 95 N C -0.770 174.372 175.510 -0.613 0.000 1.083 95 N CA -0.720 52.015 53.050 -0.525 0.000 0.964 95 N CB -0.113 38.176 38.487 -0.330 0.000 1.252 95 N HN 0.683 nan 8.380 nan 0.000 0.512 96 W N 3.145 123.936 121.300 -0.848 0.000 2.160 96 W HA 0.246 4.906 4.660 -0.000 0.000 0.464 96 W C -1.008 175.327 176.519 -0.307 0.000 0.914 96 W CA -0.594 56.401 57.345 -0.582 0.000 1.742 96 W CB -0.542 28.582 29.460 -0.559 0.000 1.780 96 W HN 0.334 nan 8.180 nan 0.000 0.307 97 E N 2.663 122.703 120.200 -0.267 0.000 1.856 97 E HA 0.053 4.403 4.350 -0.000 0.000 0.263 97 E C 0.247 176.662 176.600 -0.308 0.000 1.137 97 E CA 0.048 56.308 56.400 -0.233 0.000 1.007 97 E CB 0.172 29.138 29.700 -1.224 0.000 1.117 97 E HN 0.643 nan 8.360 nan 0.000 0.438 98 N N 1.151 119.649 118.700 -0.335 0.000 2.223 98 N HA -0.069 4.671 4.740 -0.000 0.000 0.309 98 N C -0.188 175.112 175.510 -0.349 0.000 0.844 98 N CA -0.077 52.764 53.050 -0.349 0.000 0.672 98 N CB 0.516 38.861 38.487 -0.236 0.000 2.157 98 N HN 0.146 nan 8.380 nan 0.000 0.984 99 L N 2.255 123.365 121.223 -0.189 0.000 4.089 99 L HA -0.177 4.163 4.340 -0.000 0.000 0.408 99 L C -0.619 176.339 176.870 0.147 0.000 1.184 99 L CA 0.987 55.864 54.840 0.062 0.000 0.947 99 L CB -2.553 39.530 42.059 0.041 0.000 2.066 99 L HN 0.455 nan 8.230 nan 0.000 0.851 100 D N 0.894 121.307 120.400 0.022 0.000 2.458 100 D HA 0.215 4.855 4.640 -0.000 0.000 0.243 100 D C 1.062 177.410 176.300 0.080 0.000 1.146 100 D CA 0.496 54.515 54.000 0.032 0.000 0.877 100 D CB 0.336 41.109 40.800 -0.045 0.000 1.176 100 D HN 0.251 nan 8.370 nan 0.000 0.461 101 R N 1.847 122.361 120.500 0.023 0.000 3.336 101 R HA -0.210 4.130 4.340 -0.000 0.000 0.260 101 R C -0.833 175.461 176.300 -0.009 0.000 1.032 101 R CA 0.539 56.571 56.100 -0.113 0.000 0.693 101 R CB -1.407 28.649 30.300 -0.408 0.000 1.134 101 R HN 0.489 nan 8.270 nan 0.000 0.433 102 D N 1.321 121.781 120.400 0.101 0.000 2.498 102 D HA 0.317 4.957 4.640 -0.000 0.000 0.229 102 D C -0.138 176.133 176.300 -0.049 0.000 1.188 102 D CA 0.212 54.228 54.000 0.027 0.000 1.028 102 D CB 0.136 41.082 40.800 0.243 0.000 1.087 102 D HN 0.371 nan 8.370 nan 0.000 0.510 103 I N 1.154 121.623 120.570 -0.168 0.000 2.913 103 I HA 0.716 4.886 4.170 -0.000 0.000 0.302 103 I C -1.838 174.245 176.117 -0.057 0.000 1.246 103 I CA -0.625 60.646 61.300 -0.048 0.000 1.010 103 I CB 1.824 39.840 38.000 0.026 0.000 1.259 103 I HN 0.315 nan 8.210 nan 0.000 0.434 104 A N 6.220 129.150 122.820 0.184 0.000 2.605 104 A HA 0.797 5.117 4.320 -0.000 0.000 0.294 104 A C -2.243 175.631 177.584 0.483 0.000 1.062 104 A CA -0.500 51.760 52.037 0.371 0.000 0.682 104 A CB 1.533 20.638 19.000 0.175 0.000 1.278 104 A HN 0.593 nan 8.150 nan 0.000 0.410 105 L N 0.724 122.304 121.223 0.596 0.000 2.354 105 L HA 0.783 5.123 4.340 -0.000 0.000 0.269 105 L C -0.472 176.730 176.870 0.552 0.000 1.005 105 L CA -0.403 54.757 54.840 0.532 0.000 0.819 105 L CB 2.241 44.551 42.059 0.419 0.000 1.311 105 L HN 0.808 nan 8.230 nan 0.000 0.423 106 M N 2.730 122.589 119.600 0.431 0.000 2.263 106 M HA 0.393 4.873 4.480 -0.000 0.000 0.295 106 M C -0.937 175.370 176.300 0.012 0.000 1.028 106 M CA -0.366 55.067 55.300 0.222 0.000 0.921 106 M CB 2.320 35.006 32.600 0.144 0.000 1.601 106 M HN 0.335 nan 8.290 nan 0.000 0.440 107 K N 3.970 124.220 120.400 -0.249 0.000 2.206 107 K HA 0.638 4.958 4.320 -0.000 0.000 0.264 107 K C -1.375 175.020 176.600 -0.341 0.000 0.967 107 K CA -0.545 55.313 56.287 -0.714 0.000 0.844 107 K CB 0.992 32.877 32.500 -1.024 0.000 1.099 107 K HN 0.684 nan 8.250 nan 0.000 0.441 108 L N 4.819 125.856 121.223 -0.310 0.000 2.371 108 L HA 0.180 4.520 4.340 -0.000 0.000 0.272 108 L C 1.526 178.304 176.870 -0.154 0.000 1.124 108 L CA -0.469 54.272 54.840 -0.164 0.000 0.816 108 L CB 0.814 42.811 42.059 -0.104 0.000 1.129 108 L HN 0.733 nan 8.230 nan 0.000 0.448 109 K N 1.620 121.962 120.400 -0.096 0.000 2.009 109 K HA -0.092 4.228 4.320 -0.000 0.000 0.210 109 K C 0.141 176.698 176.600 -0.071 0.000 1.049 109 K CA 1.615 57.858 56.287 -0.074 0.000 0.929 109 K CB 0.046 32.517 32.500 -0.048 0.000 0.714 109 K HN 0.532 nan 8.250 nan 0.000 0.440 110 K N 0.295 120.658 120.400 -0.062 0.000 2.385 110 K HA 0.330 4.650 4.320 -0.000 0.000 0.248 110 K C -2.719 173.844 176.600 -0.060 0.000 0.955 110 K CA -2.157 54.096 56.287 -0.056 0.000 0.816 110 K CB 1.912 34.389 32.500 -0.040 0.000 1.250 110 K HN -0.145 nan 8.250 nan 0.000 0.434 111 P HA 0.075 nan 4.420 nan 0.000 0.278 111 P C -0.644 176.615 177.300 -0.070 0.000 1.238 111 P CA -0.597 62.459 63.100 -0.072 0.000 0.794 111 P CB 0.664 32.309 31.700 -0.091 0.000 0.955 112 V N -0.305 119.578 119.914 -0.052 0.000 2.567 112 V HA 0.658 4.778 4.120 -0.000 0.000 0.289 112 V C 0.499 176.492 176.094 -0.169 0.000 1.049 112 V CA -1.304 60.981 62.300 -0.025 0.000 0.969 112 V CB 0.489 32.372 31.823 0.100 0.000 0.995 112 V HN 0.658 nan 8.190 nan 0.000 0.471 113 A N 4.086 126.848 122.820 -0.096 0.000 2.409 113 A HA 0.664 4.984 4.320 -0.000 0.000 0.267 113 A C -0.241 177.360 177.584 0.028 0.000 1.127 113 A CA -0.253 51.704 52.037 -0.134 0.000 0.795 113 A CB -0.335 18.644 19.000 -0.036 0.000 1.061 113 A HN 0.593 nan 8.150 nan 0.000 0.502 114 F N 1.612 121.589 119.950 0.044 0.000 2.440 114 F HA 0.527 5.054 4.527 -0.000 0.000 0.323 114 F C 1.350 177.195 175.800 0.075 0.000 1.192 114 F CA 0.078 58.117 58.000 0.066 0.000 1.252 114 F CB 0.839 39.878 39.000 0.065 0.000 1.214 114 F HN 0.802 nan 8.300 nan 0.000 0.578 115 S N -0.991 114.893 115.700 0.307 0.000 2.755 115 S HA 0.292 4.762 4.470 -0.000 0.000 0.286 115 S C 0.130 174.718 174.600 -0.020 0.000 1.207 115 S CA -0.686 57.593 58.200 0.132 0.000 0.892 115 S CB 0.958 64.257 63.200 0.165 0.000 1.240 115 S HN 0.345 nan 8.310 nan 0.000 0.525 116 D N 0.322 120.561 120.400 -0.267 0.000 2.149 116 D HA -0.017 4.623 4.640 -0.000 0.000 0.198 116 D C 0.967 176.878 176.300 -0.649 0.000 0.990 116 D CA 1.790 55.446 54.000 -0.574 0.000 0.839 116 D CB -0.360 39.919 40.800 -0.868 0.000 0.948 116 D HN 0.625 nan 8.370 nan 0.000 0.460 117 Y N -0.497 119.797 120.300 -0.010 0.000 2.468 117 Y HA 0.384 4.934 4.550 -0.000 0.000 0.268 117 Y C 0.487 176.386 175.900 -0.003 0.000 1.177 117 Y CA -0.166 57.915 58.100 -0.033 0.000 1.265 117 Y CB 0.376 38.828 38.460 -0.013 0.000 1.103 117 Y HN -0.196 nan 8.280 nan 0.000 0.522 118 I N 0.125 120.785 120.570 0.150 0.000 2.529 118 I HA 0.341 4.511 4.170 -0.000 0.000 0.284 118 I C -1.287 174.902 176.117 0.120 0.000 1.088 118 I CA -0.545 60.857 61.300 0.170 0.000 1.062 118 I CB 1.768 39.926 38.000 0.263 0.000 1.218 118 I HN 0.041 nan 8.210 nan 0.000 0.442 119 H N 6.798 125.775 119.070 -0.154 0.000 3.140 119 H HA 0.391 4.947 4.556 -0.000 0.000 0.336 119 H C -2.977 172.220 175.328 -0.218 0.000 1.142 119 H CA -0.977 54.810 56.048 -0.435 0.000 1.308 119 H CB 2.923 32.560 29.762 -0.208 0.000 1.970 119 H HN 0.177 nan 8.280 nan 0.000 0.521 120 P HA 0.098 nan 4.420 nan 0.000 0.274 120 P C -0.577 176.733 177.300 0.017 0.000 1.237 120 P CA -0.325 62.674 63.100 -0.168 0.000 0.793 120 P CB 1.296 32.851 31.700 -0.242 0.000 0.977 121 V N 1.888 121.732 119.914 -0.116 0.000 3.262 121 V HA 0.306 4.426 4.120 -0.000 0.000 0.313 121 V C -0.348 175.561 176.094 -0.308 0.000 1.070 121 V CA -0.484 61.520 62.300 -0.492 0.000 1.049 121 V CB 1.411 32.592 31.823 -1.070 0.000 1.157 121 V HN 0.638 nan 8.190 nan 0.000 0.454 122 C N 3.394 122.455 119.300 -0.399 0.000 2.365 122 C HA 0.550 5.010 4.460 -0.000 0.000 0.351 122 C C 0.070 175.009 174.990 -0.085 0.000 1.240 122 C CA -0.859 57.971 59.018 -0.313 0.000 2.062 122 C CB 0.221 27.504 27.740 -0.761 0.000 2.387 122 C HN 0.704 nan 8.230 nan 0.000 0.537 123 L N 4.623 125.884 121.223 0.064 0.000 2.334 123 L HA 0.422 4.762 4.340 -0.000 0.000 0.277 123 L C -1.931 175.153 176.870 0.356 0.000 1.075 123 L CA -1.230 53.721 54.840 0.184 0.000 0.804 123 L CB 1.180 43.312 42.059 0.121 0.000 1.174 123 L HN 0.427 nan 8.230 nan 0.000 0.438 124 P HA 0.211 nan 4.420 nan 0.000 0.278 124 P C -1.534 175.906 177.300 0.233 0.000 1.258 124 P CA -0.615 62.627 63.100 0.237 0.000 0.811 124 P CB 0.787 32.538 31.700 0.084 0.000 1.063 125 D N -0.189 120.254 120.400 0.072 0.000 2.487 125 D HA 0.176 4.816 4.640 -0.000 0.000 0.262 125 D C 0.974 177.185 176.300 -0.148 0.000 1.130 125 D CA -0.741 53.324 54.000 0.108 0.000 1.038 125 D CB 1.404 42.229 40.800 0.041 0.000 1.142 125 D HN 0.269 nan 8.370 nan 0.000 0.575 126 R N -0.222 120.174 120.500 -0.173 0.000 2.091 126 R HA -0.193 4.146 4.340 -0.000 0.000 0.238 126 R C 1.468 177.521 176.300 -0.411 0.000 1.136 126 R CA 1.617 57.396 56.100 -0.535 0.000 0.959 126 R CB -0.036 30.217 30.300 -0.078 0.000 0.856 126 R HN 0.390 nan 8.270 nan 0.000 0.437 127 E N -0.161 119.901 120.200 -0.230 0.000 2.216 127 E HA -0.005 4.345 4.350 -0.000 0.000 0.192 127 E C -0.154 176.301 176.600 -0.240 0.000 0.988 127 E CA 0.700 56.982 56.400 -0.197 0.000 0.834 127 E CB 0.171 29.798 29.700 -0.122 0.000 0.772 127 E HN 0.180 nan 8.360 nan 0.000 0.479 128 T N 1.253 115.623 114.554 -0.307 0.000 2.769 128 T HA 0.158 4.508 4.350 -0.000 0.000 0.293 128 T C 0.418 174.909 174.700 -0.349 0.000 0.931 128 T CA 0.016 61.882 62.100 -0.391 0.000 1.139 128 T CB 0.645 69.106 68.868 -0.678 0.000 0.881 128 T HN 0.044 nan 8.240 nan 0.000 0.532 129 L N 2.267 123.466 121.223 -0.041 0.000 2.260 129 L HA -0.143 4.197 4.340 -0.000 0.000 0.472 129 L C 0.639 177.548 176.870 0.065 0.000 0.712 129 L CA 0.974 55.829 54.840 0.026 0.000 3.149 129 L CB -1.257 40.740 42.059 -0.103 0.000 0.710 129 L HN 0.633 nan 8.230 nan 0.000 0.750 130 L N 2.020 123.188 121.223 -0.092 0.000 2.415 130 L HA 0.232 4.572 4.340 -0.000 0.000 0.269 130 L C 0.279 177.032 176.870 -0.195 0.000 1.244 130 L CA 0.542 55.269 54.840 -0.188 0.000 1.113 130 L CB -0.165 41.695 42.059 -0.331 0.000 1.352 130 L HN 0.252 nan 8.230 nan 0.000 0.433 131 Q N 1.823 121.487 119.800 -0.226 0.000 2.347 131 Q HA 0.587 4.927 4.340 -0.000 0.000 0.271 131 Q C -0.392 175.350 176.000 -0.429 0.000 1.064 131 Q CA -0.900 54.640 55.803 -0.438 0.000 0.800 131 Q CB 2.689 30.974 28.738 -0.755 0.000 1.304 131 Q HN 0.577 nan 8.270 nan 0.000 0.438 132 A N 0.843 123.472 122.820 -0.319 0.000 2.565 132 A HA 0.407 4.727 4.320 -0.000 0.000 0.237 132 A C 1.247 178.682 177.584 -0.248 0.000 1.053 132 A CA 1.309 53.210 52.037 -0.226 0.000 0.755 132 A CB -0.597 18.299 19.000 -0.173 0.000 0.980 132 A HN 1.104 nan 8.150 nan 0.000 0.506 133 G N 0.622 109.343 108.800 -0.132 0.000 2.317 133 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.227 133 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.227 133 G C 0.183 175.142 174.900 0.098 0.000 1.042 133 G CA 0.356 45.430 45.100 -0.043 0.000 0.623 133 G HN 0.796 nan 8.290 nan 0.000 0.509 134 Y N 1.647 121.923 120.300 -0.041 0.000 2.379 134 Y HA 0.584 5.134 4.550 -0.000 0.000 0.337 134 Y C 1.162 177.055 175.900 -0.012 0.000 1.238 134 Y CA -0.764 57.316 58.100 -0.033 0.000 1.405 134 Y CB 0.519 38.948 38.460 -0.052 0.000 1.310 134 Y HN 0.136 nan 8.280 nan 0.000 0.569 135 K N 0.985 121.476 120.400 0.152 0.000 2.138 135 K HA 0.655 4.975 4.320 -0.000 0.000 0.263 135 K C 0.163 176.770 176.600 0.011 0.000 0.965 135 K CA -0.610 55.724 56.287 0.079 0.000 0.868 135 K CB 1.621 34.148 32.500 0.046 0.000 1.083 135 K HN 0.859 nan 8.250 nan 0.000 0.443 136 G N 1.123 109.872 108.800 -0.084 0.000 2.644 136 G HA2 0.527 4.487 3.960 -0.000 0.000 0.307 136 G HA3 0.527 4.487 3.960 -0.000 0.000 0.307 136 G C -1.345 173.231 174.900 -0.540 0.000 1.250 136 G CA -0.669 44.010 45.100 -0.701 0.000 0.996 136 G HN 0.544 nan 8.290 nan 0.000 0.489 137 R N -0.290 119.882 120.500 -0.546 0.000 2.534 137 R HA 0.629 4.969 4.340 -0.000 0.000 0.301 137 R C -1.486 174.672 176.300 -0.237 0.000 0.961 137 R CA -0.451 55.505 56.100 -0.239 0.000 0.871 137 R CB 1.978 32.233 30.300 -0.074 0.000 1.170 137 R HN 0.327 nan 8.270 nan 0.000 0.446 138 V N 2.985 122.859 119.914 -0.068 0.000 2.628 138 V HA 0.593 4.713 4.120 -0.000 0.000 0.306 138 V C -0.222 175.878 176.094 0.010 0.000 1.045 138 V CA -0.661 61.671 62.300 0.054 0.000 0.905 138 V CB 1.854 33.800 31.823 0.204 0.000 0.997 138 V HN 1.022 nan 8.190 nan 0.000 0.436 139 T N 0.045 114.601 114.554 0.003 0.000 2.900 139 T HA 0.955 5.305 4.350 -0.000 0.000 0.303 139 T C -0.267 174.362 174.700 -0.118 0.000 1.142 139 T CA -0.277 61.757 62.100 -0.109 0.000 1.007 139 T CB 2.116 70.866 68.868 -0.196 0.000 1.156 139 T HN 1.586 nan 8.240 nan 0.000 0.490 140 G N -0.326 108.318 108.800 -0.259 0.000 2.325 140 G HA2 0.387 4.347 3.960 -0.000 0.000 0.297 140 G HA3 0.387 4.347 3.960 -0.000 0.000 0.297 140 G C -1.172 173.571 174.900 -0.262 0.000 1.448 140 G CA -0.847 44.119 45.100 -0.224 0.000 0.838 140 G HN 0.690 nan 8.290 nan 0.000 0.579 141 W N 0.978 122.301 121.300 0.038 0.000 3.123 141 W HA 0.376 5.036 4.660 -0.000 0.000 0.383 141 W C 1.115 177.651 176.519 0.028 0.000 1.102 141 W CA -0.102 57.253 57.345 0.016 0.000 1.865 141 W CB 0.856 30.327 29.460 0.018 0.000 1.111 141 W HN 0.813 nan 8.180 nan 0.000 0.621 142 G N 1.429 110.362 108.800 0.221 0.000 2.653 142 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.265 142 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.265 142 G C 0.283 175.247 174.900 0.107 0.000 1.237 142 G CA -0.495 44.707 45.100 0.170 0.000 0.946 142 G HN -0.101 nan 8.290 nan 0.000 0.522 143 N N -0.540 118.221 118.700 0.101 0.000 2.232 143 N HA -0.066 4.674 4.740 -0.000 0.000 0.251 143 N C 1.542 177.051 175.510 -0.002 0.000 1.242 143 N CA 0.030 53.107 53.050 0.046 0.000 0.837 143 N CB 0.755 39.354 38.487 0.187 0.000 1.079 143 N HN 0.357 nan 8.380 nan 0.000 0.461 144 L N 0.701 121.846 121.223 -0.130 0.000 2.291 144 L HA 0.023 4.363 4.340 -0.000 0.000 0.214 144 L C 0.765 177.614 176.870 -0.034 0.000 1.120 144 L CA 1.104 55.878 54.840 -0.110 0.000 0.799 144 L CB -0.077 41.864 42.059 -0.198 0.000 0.925 144 L HN 0.446 nan 8.230 nan 0.000 0.446 145 K N -1.498 118.917 120.400 0.026 0.000 2.575 145 K HA 0.124 4.444 4.320 -0.000 0.000 0.279 145 K C 0.235 177.012 176.600 0.296 0.000 0.969 145 K CA -0.554 55.824 56.287 0.152 0.000 0.868 145 K CB 2.379 34.996 32.500 0.196 0.000 1.457 145 K HN -0.257 nan 8.250 nan 0.000 0.426 146 E N 0.231 120.565 120.200 0.223 0.000 2.038 146 E HA -0.103 4.247 4.350 -0.000 0.000 0.195 146 E C -0.207 176.531 176.600 0.230 0.000 1.000 146 E CA 1.595 58.112 56.400 0.195 0.000 0.803 146 E CB 0.322 30.091 29.700 0.116 0.000 0.750 146 E HN 0.613 nan 8.360 nan 0.000 0.448 147 T N -2.404 112.284 114.554 0.225 0.000 2.883 147 T HA 0.471 4.821 4.350 -0.000 0.000 0.301 147 T C -0.820 174.049 174.700 0.281 0.000 1.158 147 T CA -0.623 61.520 62.100 0.071 0.000 1.007 147 T CB 1.373 70.189 68.868 -0.087 0.000 1.186 147 T HN 0.498 nan 8.240 nan 0.000 0.499 148 W N 0.236 121.547 121.300 0.019 0.000 4.467 148 W HA 0.625 5.285 4.660 -0.000 0.000 0.418 148 W C -1.400 175.128 176.519 0.015 0.000 3.437 148 W CA -0.980 56.376 57.345 0.017 0.000 1.144 148 W CB 0.123 29.595 29.460 0.019 0.000 2.107 148 W HN 0.533 nan 8.180 nan 0.000 0.367 149 K N 1.169 121.499 120.400 -0.117 0.000 2.412 149 K HA 0.352 4.672 4.320 -0.000 0.000 0.281 149 K C 1.011 177.314 176.600 -0.495 0.000 1.027 149 K CA 0.570 56.748 56.287 -0.183 0.000 0.989 149 K CB 0.874 33.320 32.500 -0.090 0.000 0.935 149 K HN 0.616 nan 8.250 nan 0.000 0.475 150 G N 2.803 111.023 108.800 -0.967 0.000 3.088 150 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.212 150 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.212 150 G C -0.256 174.247 174.900 -0.662 0.000 1.173 150 G CA -0.007 44.210 45.100 -1.472 0.000 0.779 150 G HN 0.477 nan 8.290 nan 0.000 0.540 151 Q N 0.867 120.464 119.800 -0.339 0.000 2.337 151 Q HA 0.519 4.858 4.340 -0.000 0.000 0.266 151 Q C -3.056 172.895 176.000 -0.082 0.000 1.023 151 Q CA -3.570 52.158 55.803 -0.126 0.000 0.829 151 Q CB 1.763 30.494 28.738 -0.011 0.000 1.306 151 Q HN -0.055 nan 8.270 nan 0.000 0.449 152 P HA 0.102 nan 4.420 nan 0.000 0.274 152 P C 0.308 177.626 177.300 0.029 0.000 1.231 152 P CA -0.233 62.864 63.100 -0.006 0.000 0.790 152 P CB 0.708 32.423 31.700 0.025 0.000 0.951 153 S N -0.128 115.573 115.700 0.001 0.000 2.470 153 S HA 0.128 4.598 4.470 -0.000 0.000 0.225 153 S C 0.747 175.348 174.600 0.002 0.000 1.006 153 S CA 0.222 58.422 58.200 0.000 0.000 0.934 153 S CB -0.105 63.084 63.200 -0.018 0.000 0.778 153 S HN 0.295 nan 8.310 nan 0.000 0.517 154 V N 1.587 121.489 119.914 -0.020 0.000 2.925 154 V HA 0.442 4.562 4.120 -0.000 0.000 0.311 154 V C -0.550 175.475 176.094 -0.116 0.000 1.104 154 V CA -1.213 60.991 62.300 -0.159 0.000 0.954 154 V CB 2.091 33.727 31.823 -0.313 0.000 1.022 154 V HN 0.423 nan 8.190 nan 0.000 0.427 155 L N 4.577 125.640 121.223 -0.265 0.000 2.573 155 L HA 0.091 4.431 4.340 -0.000 0.000 0.290 155 L C 0.159 176.836 176.870 -0.321 0.000 1.247 155 L CA 1.174 55.650 54.840 -0.606 0.000 0.876 155 L CB 0.212 41.866 42.059 -0.676 0.000 1.123 155 L HN 0.650 nan 8.230 nan 0.000 0.505 156 Q N 3.646 123.271 119.800 -0.293 0.000 2.297 156 Q HA 0.647 4.987 4.340 -0.000 0.000 0.268 156 Q C -1.205 174.702 176.000 -0.155 0.000 1.045 156 Q CA -0.685 55.024 55.803 -0.156 0.000 0.861 156 Q CB 2.392 31.074 28.738 -0.092 0.000 1.344 156 Q HN 0.547 nan 8.270 nan 0.000 0.452 157 V N 0.709 120.566 119.914 -0.095 0.000 2.841 157 V HA 0.743 4.863 4.120 -0.000 0.000 0.310 157 V C -1.547 174.534 176.094 -0.021 0.000 1.090 157 V CA -0.634 61.621 62.300 -0.075 0.000 0.930 157 V CB 2.295 34.061 31.823 -0.094 0.000 1.014 157 V HN 0.546 nan 8.190 nan 0.000 0.425 158 V N 5.406 125.322 119.914 0.004 0.000 3.012 158 V HA 0.656 4.776 4.120 -0.000 0.000 0.307 158 V C -1.230 174.893 176.094 0.048 0.000 1.166 158 V CA -0.735 61.594 62.300 0.050 0.000 0.974 158 V CB 2.801 34.673 31.823 0.082 0.000 1.040 158 V HN 0.980 nan 8.190 nan 0.000 0.428 159 N N 5.417 124.164 118.700 0.079 0.000 2.444 159 N HA 0.681 5.421 4.740 -0.000 0.000 0.262 159 N C -1.144 174.414 175.510 0.081 0.000 0.974 159 N CA -0.109 52.980 53.050 0.065 0.000 0.933 159 N CB 1.565 40.103 38.487 0.084 0.000 1.137 159 N HN 0.525 nan 8.380 nan 0.000 0.498 160 L N 2.788 124.025 121.223 0.024 0.000 2.370 160 L HA 0.628 4.967 4.340 -0.000 0.000 0.266 160 L C -2.373 174.471 176.870 -0.043 0.000 1.002 160 L CA -2.043 52.760 54.840 -0.061 0.000 0.818 160 L CB 2.885 44.977 42.059 0.055 0.000 1.325 160 L HN 0.238 nan 8.230 nan 0.000 0.418 161 P HA 0.320 nan 4.420 nan 0.000 0.282 161 P C -0.660 176.611 177.300 -0.047 0.000 1.249 161 P CA -0.301 62.733 63.100 -0.110 0.000 0.806 161 P CB 0.908 32.486 31.700 -0.204 0.000 0.984 162 I N 1.843 122.413 120.570 0.001 0.000 2.529 162 I HA 0.108 4.278 4.170 -0.000 0.000 0.284 162 I C 0.397 176.442 176.117 -0.120 0.000 1.082 162 I CA -0.297 60.968 61.300 -0.058 0.000 1.406 162 I CB 0.676 38.625 38.000 -0.085 0.000 1.405 162 I HN 0.000 nan 8.210 nan 0.000 0.548 163 V N 6.034 125.844 119.914 -0.174 0.000 2.532 163 V HA 0.160 4.280 4.120 -0.000 0.000 0.295 163 V C 0.110 176.079 176.094 -0.208 0.000 1.041 163 V CA -0.918 61.230 62.300 -0.252 0.000 0.926 163 V CB 1.584 33.107 31.823 -0.500 0.000 0.992 163 V HN 0.684 nan 8.190 nan 0.000 0.457 164 E N 5.039 125.132 120.200 -0.178 0.000 2.415 164 E HA 0.040 4.390 4.350 -0.000 0.000 0.263 164 E C 0.794 177.326 176.600 -0.113 0.000 0.995 164 E CA -0.155 56.170 56.400 -0.125 0.000 0.915 164 E CB 0.583 30.225 29.700 -0.096 0.000 0.951 164 E HN 0.471 nan 8.360 nan 0.000 0.449 165 R N 2.297 122.762 120.500 -0.058 0.000 2.119 165 R HA -0.168 4.172 4.340 -0.000 0.000 0.246 165 R C -0.686 175.618 176.300 0.007 0.000 1.146 165 R CA 2.017 58.114 56.100 -0.004 0.000 0.962 165 R CB -1.273 29.049 30.300 0.037 0.000 0.863 165 R HN 0.481 nan 8.270 nan 0.000 0.442 166 P HA -0.103 nan 4.420 nan 0.000 0.215 166 P C 1.555 178.860 177.300 0.008 0.000 1.153 166 P CA 1.107 64.213 63.100 0.009 0.000 0.853 166 P CB -0.084 31.616 31.700 -0.000 0.000 0.788 167 V N -0.289 119.602 119.914 -0.038 0.000 2.427 167 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 167 V C 2.744 178.790 176.094 -0.080 0.000 1.051 167 V CA 1.840 64.099 62.300 -0.067 0.000 1.048 167 V CB -1.433 30.304 31.823 -0.144 0.000 0.666 167 V HN 0.171 nan 8.190 nan 0.000 0.456 168 c N -0.432 118.103 118.600 -0.109 0.000 2.413 168 c HA -0.195 4.375 4.570 -0.000 0.000 0.277 168 c C 2.757 177.006 174.090 0.266 0.000 1.228 168 c CA 1.160 57.494 56.329 0.007 0.000 1.731 168 c CB -0.951 41.565 42.510 0.010 0.000 2.042 168 c HN 0.520 nan 8.230 nan 0.000 0.468 169 K N 0.553 121.065 120.400 0.186 0.000 2.020 169 K HA -0.183 4.137 4.320 -0.000 0.000 0.212 169 K C 1.357 178.038 176.600 0.136 0.000 1.050 169 K CA 1.934 58.316 56.287 0.158 0.000 0.929 169 K CB -0.343 32.217 32.500 0.099 0.000 0.714 169 K HN 0.463 nan 8.250 nan 0.000 0.443 170 D N -0.352 120.114 120.400 0.110 0.000 2.371 170 D HA -0.070 4.570 4.640 -0.000 0.000 0.221 170 D C 1.565 177.952 176.300 0.145 0.000 0.986 170 D CA 0.740 54.802 54.000 0.104 0.000 0.899 170 D CB 0.122 40.969 40.800 0.080 0.000 0.902 170 D HN 0.224 nan 8.370 nan 0.000 0.530 171 S N -1.669 114.158 115.700 0.211 0.000 2.548 171 S HA 0.067 4.537 4.470 -0.000 0.000 0.215 171 S C 0.921 175.668 174.600 0.245 0.000 0.976 171 S CA -0.166 58.196 58.200 0.270 0.000 0.908 171 S CB 0.542 64.020 63.200 0.463 0.000 0.781 171 S HN 0.043 nan 8.310 nan 0.000 0.519 172 T N 0.183 114.869 114.554 0.220 0.000 2.896 172 T HA 0.536 4.886 4.350 -0.000 0.000 0.297 172 T C -0.153 174.611 174.700 0.108 0.000 1.108 172 T CA -0.794 61.417 62.100 0.184 0.000 1.004 172 T CB 1.760 70.779 68.868 0.251 0.000 1.159 172 T HN 0.138 nan 8.240 nan 0.000 0.499 173 R N 1.463 122.006 120.500 0.071 0.000 2.334 173 R HA 0.412 4.752 4.340 -0.000 0.000 0.216 173 R C 0.199 176.493 176.300 -0.011 0.000 0.905 173 R CA 0.038 56.154 56.100 0.027 0.000 1.064 173 R CB 0.085 30.396 30.300 0.018 0.000 1.046 173 R HN 0.508 nan 8.270 nan 0.000 0.508 174 I N 0.980 121.537 120.570 -0.023 0.000 2.499 174 I HA 0.157 4.327 4.170 -0.000 0.000 0.296 174 I C 0.544 176.618 176.117 -0.072 0.000 0.992 174 I CA -0.733 60.502 61.300 -0.109 0.000 1.297 174 I CB 1.014 38.852 38.000 -0.269 0.000 1.410 174 I HN -0.049 nan 8.210 nan 0.000 0.507 175 R N 5.801 126.239 120.500 -0.103 0.000 2.242 175 R HA 0.283 4.623 4.340 -0.000 0.000 0.334 175 R C -1.032 175.236 176.300 -0.053 0.000 1.071 175 R CA -0.634 55.430 56.100 -0.059 0.000 0.922 175 R CB 0.390 30.652 30.300 -0.065 0.000 1.023 175 R HN 0.400 nan 8.270 nan 0.000 0.458 176 I N 4.624 125.198 120.570 0.007 0.000 2.371 176 I HA 0.083 4.253 4.170 -0.000 0.000 0.290 176 I C 1.175 177.344 176.117 0.086 0.000 1.028 176 I CA -0.042 61.300 61.300 0.070 0.000 1.345 176 I CB 1.160 39.242 38.000 0.136 0.000 1.407 176 I HN 0.691 nan 8.210 nan 0.000 0.501 177 T N 1.169 115.787 114.554 0.106 0.000 2.922 177 T HA 0.340 4.690 4.350 -0.000 0.000 0.281 177 T C 0.789 175.567 174.700 0.130 0.000 1.005 177 T CA -0.548 61.604 62.100 0.087 0.000 0.982 177 T CB 1.287 70.183 68.868 0.048 0.000 1.158 177 T HN 0.440 nan 8.240 nan 0.000 0.566 178 D N 0.470 120.926 120.400 0.093 0.000 2.218 178 D HA -0.043 4.597 4.640 -0.000 0.000 0.204 178 D C 1.324 177.698 176.300 0.123 0.000 0.976 178 D CA 0.852 54.910 54.000 0.097 0.000 0.853 178 D CB -0.188 40.636 40.800 0.039 0.000 0.939 178 D HN 0.502 nan 8.370 nan 0.000 0.481 179 N N -0.158 118.610 118.700 0.114 0.000 2.501 179 N HA 0.017 4.757 4.740 -0.000 0.000 0.195 179 N C 0.169 175.857 175.510 0.297 0.000 1.213 179 N CA 0.317 53.456 53.050 0.149 0.000 0.864 179 N CB 0.318 38.842 38.487 0.061 0.000 0.999 179 N HN 0.305 nan 8.380 nan 0.000 0.454 180 M N -0.098 119.707 119.600 0.343 0.000 2.593 180 M HA 0.482 4.962 4.480 -0.000 0.000 0.290 180 M C -1.261 175.301 176.300 0.436 0.000 1.244 180 M CA -1.050 54.468 55.300 0.363 0.000 0.857 180 M CB 2.632 35.470 32.600 0.395 0.000 1.738 180 M HN -0.009 nan 8.290 nan 0.000 0.461 181 F N -0.077 119.980 119.950 0.178 0.000 2.662 181 F HA 0.876 5.403 4.527 -0.000 0.000 0.312 181 F C -1.163 174.517 175.800 -0.201 0.000 1.113 181 F CA -1.519 56.473 58.000 -0.013 0.000 0.951 181 F CB 0.858 39.785 39.000 -0.122 0.000 1.344 181 F HN 0.800 nan 8.300 nan 0.000 0.462 182 c N 2.123 120.491 118.600 -0.386 0.000 2.493 182 c HA 1.014 5.584 4.570 -0.000 0.000 0.326 182 c C -0.446 173.462 174.090 -0.304 0.000 1.200 182 c CA 0.094 55.989 56.329 -0.723 0.000 1.739 182 c CB 0.474 42.194 42.510 -1.317 0.000 2.300 182 c HN 1.465 nan 8.230 nan 0.000 0.500 183 A N 2.432 125.155 122.820 -0.162 0.000 2.475 183 A HA 0.769 5.089 4.320 -0.000 0.000 0.301 183 A C -1.354 176.298 177.584 0.112 0.000 1.059 183 A CA -0.532 51.465 52.037 -0.067 0.000 0.710 183 A CB 0.675 19.549 19.000 -0.209 0.000 1.288 183 A HN 0.910 nan 8.150 nan 0.000 0.408 184 Y N 0.696 121.098 120.300 0.170 0.000 2.379 184 Y HA 0.238 4.788 4.550 -0.000 0.000 0.337 184 Y C 1.433 177.445 175.900 0.187 0.000 1.238 184 Y CA 0.442 58.632 58.100 0.151 0.000 1.405 184 Y CB 0.858 39.370 38.460 0.085 0.000 1.310 184 Y HN 0.774 nan 8.280 nan 0.000 0.569 185 K N 1.022 121.633 120.400 0.352 0.000 2.418 185 K HA 0.014 4.333 4.320 -0.000 0.000 0.195 185 K C -0.011 176.695 176.600 0.176 0.000 1.035 185 K CA 0.341 56.791 56.287 0.272 0.000 1.003 185 K CB -0.057 32.571 32.500 0.213 0.000 0.793 185 K HN 0.502 nan 8.250 nan 0.000 0.494 186 K N 0.473 120.693 120.400 -0.300 0.000 2.014 186 K HA -0.278 4.042 4.320 -0.000 0.000 0.587 186 K C -0.257 176.181 176.600 -0.271 0.000 1.870 186 K CA 1.495 57.456 56.287 -0.542 0.000 1.400 186 K CB -0.183 31.534 32.500 -1.305 0.000 1.944 186 K HN 0.295 nan 8.250 nan 0.000 0.727 187 R N -0.893 119.533 120.500 -0.124 0.000 2.810 187 R HA 0.796 5.136 4.340 -0.000 0.000 0.266 187 R C -0.359 176.053 176.300 0.188 0.000 1.061 187 R CA -0.760 55.404 56.100 0.106 0.000 0.943 187 R CB 1.805 32.137 30.300 0.052 0.000 1.237 187 R HN 0.990 nan 8.270 nan 0.000 0.459 188 G N 0.385 109.286 108.800 0.169 0.000 2.326 188 G HA2 0.292 4.252 3.960 -0.000 0.000 0.478 188 G HA3 0.292 4.252 3.960 -0.000 0.000 0.478 188 G C -2.091 172.896 174.900 0.145 0.000 1.551 188 G CA -0.398 44.793 45.100 0.152 0.000 0.946 188 G HN 0.704 nan 8.290 nan 0.000 0.671 189 D N -0.794 119.676 120.400 0.117 0.000 2.710 189 D HA 0.754 5.394 4.640 -0.000 0.000 0.276 189 D C 0.320 176.687 176.300 0.112 0.000 1.267 189 D CA 0.649 54.716 54.000 0.112 0.000 0.772 189 D CB 1.721 42.562 40.800 0.069 0.000 1.299 189 D HN 1.162 nan 8.370 nan 0.000 0.421 190 A N 0.067 122.959 122.820 0.121 0.000 2.272 190 A HA 0.720 5.040 4.320 -0.000 0.000 0.275 190 A C -0.026 177.610 177.584 0.085 0.000 1.096 190 A CA -0.155 51.950 52.037 0.113 0.000 0.822 190 A CB 0.666 19.738 19.000 0.122 0.000 1.088 190 A HN 0.662 nan 8.150 nan 0.000 0.495 191 c N -0.997 117.661 118.600 0.096 0.000 3.314 191 c HA 0.456 5.026 4.570 -0.000 0.000 0.344 191 c C -0.860 173.304 174.090 0.123 0.000 1.461 191 c CA -0.707 55.684 56.329 0.104 0.000 1.249 191 c CB 0.688 43.264 42.510 0.110 0.000 1.632 191 c HN 0.953 nan 8.230 nan 0.000 0.452 192 E N 0.998 121.279 120.200 0.134 0.000 2.820 192 E HA 0.305 4.655 4.350 -0.000 0.000 0.251 192 E C 1.028 177.724 176.600 0.159 0.000 0.944 192 E CA 1.345 57.831 56.400 0.144 0.000 0.955 192 E CB -0.078 29.711 29.700 0.148 0.000 0.904 192 E HN 1.358 nan 8.360 nan 0.000 0.513 193 G N 3.889 112.789 108.800 0.167 0.000 2.232 193 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.226 193 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.226 193 G C 0.547 175.574 174.900 0.210 0.000 0.996 193 G CA 0.157 45.368 45.100 0.185 0.000 0.626 193 G HN 0.579 nan 8.290 nan 0.000 0.509 194 D N 0.791 121.303 120.400 0.186 0.000 2.305 194 D HA 0.183 4.823 4.640 -0.000 0.000 0.206 194 D C 1.413 177.829 176.300 0.194 0.000 0.974 194 D CA 0.689 54.798 54.000 0.181 0.000 0.871 194 D CB 0.071 40.957 40.800 0.143 0.000 0.947 194 D HN 0.324 nan 8.370 nan 0.000 0.516 195 S N -0.655 115.170 115.700 0.209 0.000 2.573 195 S HA 0.250 4.720 4.470 -0.000 0.000 0.297 195 S C 1.491 176.221 174.600 0.217 0.000 1.280 195 S CA 1.078 59.432 58.200 0.257 0.000 1.061 195 S CB 0.666 64.127 63.200 0.435 0.000 0.812 195 S HN 0.515 nan 8.310 nan 0.000 0.500 196 G N 2.467 111.383 108.800 0.194 0.000 2.234 196 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.235 196 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.235 196 G C 0.458 175.468 174.900 0.184 0.000 0.997 196 G CA 0.023 45.201 45.100 0.130 0.000 0.623 196 G HN 1.150 nan 8.290 nan 0.000 0.514 197 G N 0.868 109.794 108.800 0.210 0.000 2.667 197 G HA2 0.527 4.487 3.960 -0.000 0.000 0.250 197 G HA3 0.527 4.487 3.960 -0.000 0.000 0.250 197 G C -2.137 172.917 174.900 0.257 0.000 1.212 197 G CA -0.156 45.077 45.100 0.223 0.000 0.874 197 G HN 0.327 nan 8.290 nan 0.000 0.561 198 P HA 0.265 nan 4.420 nan 0.000 0.284 198 P C -1.148 176.327 177.300 0.293 0.000 1.253 198 P CA -0.491 62.766 63.100 0.260 0.000 0.800 198 P CB 1.127 32.965 31.700 0.231 0.000 0.961 199 F N 4.689 124.744 119.950 0.176 0.000 2.332 199 F HA 0.412 4.939 4.527 -0.000 0.000 0.368 199 F C -0.457 175.412 175.800 0.115 0.000 1.110 199 F CA -0.686 57.374 58.000 0.100 0.000 1.087 199 F CB 0.594 39.580 39.000 -0.022 0.000 1.235 199 F HN 0.135 nan 8.300 nan 0.000 0.470 200 V N 4.572 124.330 119.914 -0.259 0.000 2.815 200 V HA 0.707 4.827 4.120 -0.000 0.000 0.314 200 V C -0.662 175.396 176.094 -0.060 0.000 1.064 200 V CA -0.935 61.341 62.300 -0.041 0.000 0.952 200 V CB 2.040 33.928 31.823 0.108 0.000 1.020 200 V HN 0.797 nan 8.190 nan 0.000 0.439 201 M N 2.863 122.548 119.600 0.142 0.000 2.446 201 M HA 0.560 5.040 4.480 -0.000 0.000 0.294 201 M C -1.004 175.320 176.300 0.040 0.000 1.158 201 M CA -0.593 54.750 55.300 0.072 0.000 0.899 201 M CB 2.727 35.332 32.600 0.009 0.000 1.687 201 M HN 0.845 nan 8.290 nan 0.000 0.455 202 K N 1.186 121.389 120.400 -0.329 0.000 2.235 202 K HA 0.491 4.811 4.320 -0.000 0.000 0.266 202 K C -0.078 176.288 176.600 -0.390 0.000 0.980 202 K CA -0.289 55.547 56.287 -0.750 0.000 0.849 202 K CB 1.934 33.456 32.500 -1.630 0.000 1.098 202 K HN 0.736 nan 8.250 nan 0.000 0.445 203 S N 3.309 118.876 115.700 -0.221 0.000 2.792 203 S HA -0.059 4.411 4.470 -0.000 0.000 0.177 203 S C 0.577 175.064 174.600 -0.188 0.000 1.171 203 S CA 0.827 58.936 58.200 -0.151 0.000 1.839 203 S CB -0.490 62.698 63.200 -0.021 0.000 0.559 203 S HN 1.032 nan 8.310 nan 0.000 0.458 204 N N 0.814 119.490 118.700 -0.040 0.000 2.371 204 N HA -0.384 4.355 4.740 -0.000 0.000 0.235 204 N C 0.128 175.612 175.510 -0.044 0.000 1.326 204 N CA 1.172 54.211 53.050 -0.019 0.000 0.785 204 N CB -1.484 37.017 38.487 0.024 0.000 1.235 204 N HN 0.641 nan 8.380 nan 0.000 0.598 205 N N -1.013 117.631 118.700 -0.093 0.000 2.828 205 N HA -0.165 4.575 4.740 -0.000 0.000 0.248 205 N C -0.827 174.566 175.510 -0.195 0.000 1.044 205 N CA 1.356 54.319 53.050 -0.146 0.000 0.851 205 N CB -0.759 37.681 38.487 -0.078 0.000 1.136 205 N HN 0.600 nan 8.380 nan 0.000 0.572 206 R N -0.722 119.680 120.500 -0.164 0.000 2.368 206 R HA 0.336 4.676 4.340 -0.000 0.000 0.302 206 R C -0.504 175.611 176.300 -0.308 0.000 1.002 206 R CA -0.495 55.479 56.100 -0.209 0.000 0.929 206 R CB 0.558 30.727 30.300 -0.219 0.000 1.073 206 R HN 0.111 nan 8.270 nan 0.000 0.464 207 W N 2.880 124.028 121.300 -0.253 0.000 2.322 207 W HA 0.253 4.913 4.660 -0.000 0.000 0.307 207 W C -0.490 175.635 176.519 -0.657 0.000 1.220 207 W CA -0.106 57.050 57.345 -0.314 0.000 1.210 207 W CB 0.486 29.760 29.460 -0.309 0.000 1.223 207 W HN 0.416 nan 8.180 nan 0.000 0.511 208 Y N 1.507 121.788 120.300 -0.032 0.000 2.364 208 Y HA 0.209 4.759 4.550 -0.000 0.000 0.340 208 Y C 0.237 176.108 175.900 -0.048 0.000 0.975 208 Y CA -1.325 56.737 58.100 -0.063 0.000 1.089 208 Y CB 1.731 40.168 38.460 -0.039 0.000 1.192 208 Y HN 0.324 nan 8.280 nan 0.000 0.454 209 Q N 3.885 123.735 119.800 0.084 0.000 2.389 209 Q HA 0.196 4.536 4.340 -0.000 0.000 0.244 209 Q C 0.054 176.183 176.000 0.215 0.000 1.056 209 Q CA -0.345 55.516 55.803 0.097 0.000 0.908 209 Q CB 0.542 29.296 28.738 0.026 0.000 1.273 209 Q HN 0.771 nan 8.270 nan 0.000 0.471 210 M N 1.707 121.469 119.600 0.270 0.000 2.486 210 M HA 0.279 4.759 4.480 -0.000 0.000 0.264 210 M C 0.786 177.326 176.300 0.400 0.000 1.125 210 M CA 0.553 56.012 55.300 0.266 0.000 1.144 210 M CB 0.052 32.766 32.600 0.190 0.000 1.353 210 M HN 0.545 nan 8.290 nan 0.000 0.466 211 G N 0.432 109.557 108.800 0.542 0.000 2.727 211 G HA2 0.755 4.715 3.960 -0.000 0.000 0.289 211 G HA3 0.755 4.715 3.960 -0.000 0.000 0.289 211 G C -1.453 173.719 174.900 0.453 0.000 1.418 211 G CA -0.648 44.785 45.100 0.555 0.000 0.818 211 G HN 0.139 nan 8.290 nan 0.000 0.486 212 I N 0.457 121.267 120.570 0.399 0.000 2.569 212 I HA 0.271 4.441 4.170 -0.000 0.000 0.290 212 I C -0.293 176.000 176.117 0.294 0.000 1.088 212 I CA -1.081 60.413 61.300 0.324 0.000 1.047 212 I CB 2.296 40.438 38.000 0.237 0.000 1.237 212 I HN 0.130 nan 8.210 nan 0.000 0.421 213 V N 4.667 124.747 119.914 0.276 0.000 2.434 213 V HA -0.006 4.114 4.120 -0.000 0.000 0.281 213 V C 0.910 177.036 176.094 0.053 0.000 1.005 213 V CA 0.665 62.992 62.300 0.045 0.000 1.089 213 V CB 0.693 32.606 31.823 0.151 0.000 0.978 213 V HN 0.984 nan 8.190 nan 0.000 0.474 214 S N 5.258 120.880 115.700 -0.129 0.000 2.738 214 S HA 0.343 4.813 4.470 -0.000 0.000 0.216 214 S C 0.007 174.684 174.600 0.129 0.000 0.968 214 S CA -0.010 58.266 58.200 0.127 0.000 0.879 214 S CB 0.501 63.805 63.200 0.172 0.000 0.837 214 S HN 0.874 nan 8.310 nan 0.000 0.622 215 W N -0.071 121.156 121.300 -0.121 0.000 3.066 215 W HA 0.655 5.315 4.660 -0.000 0.000 0.330 215 W C -0.744 175.764 176.519 -0.019 0.000 1.253 215 W CA -0.775 56.509 57.345 -0.102 0.000 1.187 215 W CB 0.411 29.806 29.460 -0.107 0.000 1.434 215 W HN 0.480 nan 8.180 nan 0.000 0.572 216 G N 0.602 109.530 108.800 0.212 0.000 2.677 216 G HA2 0.504 4.464 3.960 -0.000 0.000 0.291 216 G HA3 0.504 4.464 3.960 -0.000 0.000 0.291 216 G C -1.930 173.142 174.900 0.287 0.000 1.435 216 G CA -0.771 44.406 45.100 0.128 0.000 0.826 216 G HN 0.497 nan 8.290 nan 0.000 0.491 220 c N 0.304 118.939 118.600 0.059 0.000 2.814 220 c HA 0.831 5.401 4.570 -0.000 0.000 0.242 220 c C 0.403 174.519 174.090 0.043 0.000 1.704 220 c CA -0.472 55.892 56.329 0.057 0.000 1.608 220 c CB -1.565 40.995 42.510 0.082 0.000 2.939 220 c HN 0.610 nan 8.230 nan 0.000 0.512 221 R N 0.320 120.806 120.500 -0.023 0.000 3.329 221 R HA 0.204 4.544 4.340 -0.000 0.000 0.251 221 R C -2.099 174.157 176.300 -0.073 0.000 1.023 221 R CA -0.542 55.540 56.100 -0.030 0.000 1.009 221 R CB 0.740 31.030 30.300 -0.017 0.000 1.250 221 R HN 0.163 nan 8.270 nan 0.000 0.518 222 D N 0.712 121.083 120.400 -0.049 0.000 2.424 222 D HA 0.275 4.915 4.640 -0.000 0.000 0.244 222 D C 1.280 177.527 176.300 -0.087 0.000 1.134 222 D CA 1.794 55.758 54.000 -0.059 0.000 0.881 222 D CB 1.121 41.911 40.800 -0.015 0.000 1.191 222 D HN 0.749 nan 8.370 nan 0.000 0.445 223 G N 1.300 110.015 108.800 -0.141 0.000 2.168 223 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.263 223 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.263 223 G C 0.251 175.021 174.900 -0.217 0.000 0.977 223 G CA 0.299 45.334 45.100 -0.108 0.000 0.659 223 G HN 0.376 nan 8.290 nan 0.000 0.533 224 K N -0.568 119.584 120.400 -0.414 0.000 2.208 224 K HA 0.778 5.098 4.320 -0.000 0.000 0.247 224 K C -0.839 175.247 176.600 -0.858 0.000 0.953 224 K CA -0.867 55.215 56.287 -0.342 0.000 0.837 224 K CB 1.474 33.905 32.500 -0.115 0.000 1.131 224 K HN 0.187 nan 8.250 nan 0.000 0.431 225 Y N -1.215 119.075 120.300 -0.017 0.000 2.477 225 Y HA 0.416 4.966 4.550 -0.000 0.000 0.347 225 Y C 0.829 176.553 175.900 -0.295 0.000 0.981 225 Y CA -1.101 56.898 58.100 -0.170 0.000 1.033 225 Y CB 2.094 40.366 38.460 -0.314 0.000 1.245 225 Y HN 0.699 nan 8.280 nan 0.000 0.455 226 G N 1.896 110.599 108.800 -0.161 0.000 2.406 226 G HA2 0.388 4.348 3.960 -0.000 0.000 0.251 226 G HA3 0.388 4.348 3.960 -0.000 0.000 0.251 226 G C -1.336 173.116 174.900 -0.747 0.000 1.271 226 G CA -0.079 44.819 45.100 -0.337 0.000 0.859 226 G HN 0.391 nan 8.290 nan 0.000 0.540 227 F N 0.870 120.215 119.950 -1.009 0.000 2.444 227 F HA 0.483 5.010 4.527 -0.000 0.000 0.342 227 F C -0.377 174.685 175.800 -1.229 0.000 1.121 227 F CA -0.378 56.967 58.000 -1.091 0.000 0.997 227 F CB 1.913 39.895 39.000 -1.697 0.000 1.130 227 F HN 0.354 nan 8.300 nan 0.000 0.454 228 Y N 0.637 120.508 120.300 -0.714 0.000 2.429 228 Y HA 0.386 4.936 4.550 -0.000 0.000 0.342 228 Y C 0.327 175.982 175.900 -0.409 0.000 1.004 228 Y CA -1.214 56.459 58.100 -0.710 0.000 1.075 228 Y CB 1.725 39.235 38.460 -1.583 0.000 1.214 228 Y HN 0.397 nan 8.280 nan 0.000 0.455 229 T N 2.700 117.278 114.554 0.040 0.000 2.834 229 T HA -0.045 4.305 4.350 -0.000 0.000 0.298 229 T C -0.207 174.700 174.700 0.346 0.000 0.966 229 T CA -0.122 62.094 62.100 0.193 0.000 1.141 229 T CB -0.254 68.734 68.868 0.199 0.000 0.905 229 T HN 0.444 nan 8.240 nan 0.000 0.535 230 H N 4.729 123.992 119.070 0.322 0.000 3.205 230 H HA 0.178 4.734 4.556 -0.000 0.000 0.262 230 H C 1.005 176.507 175.328 0.290 0.000 1.333 230 H CA -0.883 55.420 56.048 0.425 0.000 1.499 230 H CB -0.370 29.622 29.762 0.383 0.000 1.609 230 H HN 0.394 nan 8.280 nan 0.000 0.498 231 V N 5.865 126.103 119.914 0.541 0.000 2.282 231 V HA -0.313 3.807 4.120 -0.000 0.000 0.249 231 V C 2.225 178.540 176.094 0.367 0.000 1.057 231 V CA 2.085 64.624 62.300 0.399 0.000 1.032 231 V CB -0.992 31.026 31.823 0.325 0.000 0.645 231 V HN 0.621 nan 8.190 nan 0.000 0.447 232 F N 1.338 121.536 119.950 0.413 0.000 2.043 232 F HA -0.215 4.312 4.527 -0.000 0.000 0.297 232 F C 2.658 178.543 175.800 0.142 0.000 1.121 232 F CA 1.909 60.069 58.000 0.267 0.000 1.199 232 F CB -0.453 38.730 39.000 0.305 0.000 0.968 232 F HN -0.069 nan 8.300 nan 0.000 0.478 233 R N -0.273 120.146 120.500 -0.136 0.000 2.170 233 R HA -0.155 4.185 4.340 -0.000 0.000 0.242 233 R C 1.266 177.465 176.300 -0.168 0.000 1.145 233 R CA 1.030 56.940 56.100 -0.318 0.000 0.984 233 R CB -0.458 29.588 30.300 -0.424 0.000 0.869 233 R HN 0.294 nan 8.270 nan 0.000 0.455 234 L N -0.079 121.128 121.223 -0.028 0.000 2.769 234 L HA 0.136 4.476 4.340 -0.000 0.000 0.240 234 L C 1.690 178.640 176.870 0.133 0.000 1.163 234 L CA 0.499 55.391 54.840 0.087 0.000 0.962 234 L CB -0.089 42.056 42.059 0.143 0.000 1.258 234 L HN -0.034 nan 8.230 nan 0.000 0.513 235 K N 0.077 120.460 120.400 -0.030 0.000 2.147 235 K HA -0.138 4.182 4.320 -0.000 0.000 0.205 235 K C 1.858 178.438 176.600 -0.033 0.000 1.049 235 K CA 0.967 57.231 56.287 -0.037 0.000 0.936 235 K CB 0.386 32.812 32.500 -0.123 0.000 0.722 235 K HN 0.009 nan 8.250 nan 0.000 0.446 236 K N -0.234 120.146 120.400 -0.033 0.000 2.147 236 K HA -0.194 4.125 4.320 -0.000 0.000 0.205 236 K C 1.699 178.330 176.600 0.051 0.000 1.049 236 K CA 1.262 57.546 56.287 -0.005 0.000 0.936 236 K CB -0.400 32.102 32.500 0.004 0.000 0.722 236 K HN 0.379 nan 8.250 nan 0.000 0.446 237 W N 1.915 123.204 121.300 -0.020 0.000 2.378 237 W HA -0.086 4.574 4.660 -0.000 0.000 0.313 237 W C 1.794 178.273 176.519 -0.066 0.000 1.197 237 W CA 1.138 58.480 57.345 -0.004 0.000 1.304 237 W CB -0.389 29.154 29.460 0.138 0.000 1.148 237 W HN -0.111 nan 8.180 nan 0.000 0.494 238 I N 0.623 121.096 120.570 -0.162 0.000 2.151 238 I HA -0.428 3.742 4.170 -0.000 0.000 0.243 238 I C 2.670 178.490 176.117 -0.496 0.000 1.080 238 I CA 2.170 63.216 61.300 -0.423 0.000 1.339 238 I CB -1.053 36.874 38.000 -0.121 0.000 1.039 238 I HN 0.199 nan 8.210 nan 0.000 0.409 239 Q N 1.583 121.210 119.800 -0.290 0.000 2.045 239 Q HA -0.311 4.029 4.340 -0.000 0.000 0.206 239 Q C 2.315 178.137 176.000 -0.298 0.000 0.991 239 Q CA 2.288 57.946 55.803 -0.242 0.000 0.851 239 Q CB -0.152 28.518 28.738 -0.114 0.000 0.911 239 Q HN 0.373 nan 8.270 nan 0.000 0.418 240 K N -0.018 120.205 120.400 -0.295 0.000 2.063 240 K HA -0.157 4.163 4.320 -0.000 0.000 0.208 240 K C 2.076 178.422 176.600 -0.424 0.000 1.048 240 K CA 1.595 57.711 56.287 -0.285 0.000 0.928 240 K CB -0.249 32.119 32.500 -0.221 0.000 0.713 240 K HN 0.307 nan 8.250 nan 0.000 0.442 241 V N -0.238 119.252 119.914 -0.707 0.000 2.379 241 V HA -0.131 3.989 4.120 -0.000 0.000 0.245 241 V C 2.037 177.643 176.094 -0.813 0.000 1.044 241 V CA 1.350 63.154 62.300 -0.825 0.000 1.036 241 V CB -0.294 30.819 31.823 -1.183 0.000 0.664 241 V HN 0.304 nan 8.190 nan 0.000 0.453 242 I N 0.516 120.516 120.570 -0.950 0.000 2.315 242 I HA -0.126 4.044 4.170 -0.000 0.000 0.248 242 I C 1.415 177.240 176.117 -0.488 0.000 1.117 242 I CA 1.718 62.402 61.300 -1.027 0.000 1.404 242 I CB -0.485 36.798 38.000 -1.194 0.000 1.071 242 I HN 0.546 nan 8.210 nan 0.000 0.419 243 D N 1.258 121.437 120.400 -0.368 0.000 2.704 243 D HA -0.259 4.381 4.640 -0.000 0.000 0.232 243 D C 1.449 177.641 176.300 -0.179 0.000 1.183 243 D CA 0.943 54.825 54.000 -0.197 0.000 0.647 243 D CB -0.222 40.495 40.800 -0.138 0.000 1.013 243 D HN 0.642 nan 8.370 nan 0.000 0.415 244 Q N -0.654 118.962 119.800 -0.306 0.000 2.170 244 Q HA -0.123 4.217 4.340 -0.000 0.000 0.203 244 Q C 0.122 175.825 176.000 -0.495 0.000 0.976 244 Q CA 1.054 56.583 55.803 -0.455 0.000 0.858 244 Q CB -0.040 28.305 28.738 -0.655 0.000 0.907 244 Q HN 0.465 nan 8.270 nan 0.000 0.433 245 F N 0.031 119.957 119.950 -0.040 0.000 2.477 245 F HA 0.816 5.343 4.527 -0.000 0.000 0.335 245 F C 0.395 176.180 175.800 -0.026 0.000 1.130 245 F CA -0.533 57.454 58.000 -0.022 0.000 0.948 245 F CB 2.161 41.150 39.000 -0.018 0.000 1.154 245 F HN 0.115 nan 8.300 nan 0.000 0.439 246 G N 0.000 108.891 108.800 0.151 0.000 5.446 246 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 246 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 246 G CA 0.000 nan 45.100 nan 0.000 0.502 246 G HN 0.000 nan 8.290 nan 0.000 0.925