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 2uz0_1_A DATA FIRST_RESID -4 DATA SEQUENCE GAXDPAVXKI EYYSQVLDXE WGVNVLYPDX XXXXXXXXED IPVLYLLHGX DATA SEQUENCE SGNHNSWLKR TNVERLLRGT NLIVVXPNTS NGWYTDTQYG FDYYTALAEE DATA SEQUENCE LPQVLKRFFP NXTSKREKTF IAGLSXGGYG CFKLALTTNR FSHAASFSGA DATA SEQUENCE LSFQNFSPES QNLGSPAYWR GVFGEIRDWT TSPYSLESLA KKSDKKTKLW DATA SEQUENCE AWCGEQDFLY EANNLAVKNL KKLGFDVTYS HSAGTHEWYY WEKQLEVFLT DATA SEQUENCE TLPIDFKLEE RL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -4 G HA2 0.000 nan 3.960 nan 0.000 0.244 -4 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 -4 G C 0.000 174.902 174.900 0.003 0.000 0.946 -4 G CA 0.000 45.101 45.100 0.002 0.000 0.502 0 P HA 0.372 nan 4.420 nan 0.000 0.272 0 P C -0.731 176.594 177.300 0.041 0.000 1.223 0 P CA -0.377 62.744 63.100 0.034 0.000 0.784 0 P CB 0.517 32.230 31.700 0.022 0.000 0.923 1 A N 2.110 124.967 122.820 0.062 0.000 2.371 1 A HA 0.460 4.780 4.320 0.000 0.000 0.257 1 A C 0.244 177.860 177.584 0.053 0.000 1.089 1 A CA -0.267 51.801 52.037 0.051 0.000 0.794 1 A CB 0.007 19.035 19.000 0.046 0.000 1.029 1 A HN 0.367 nan 8.150 nan 0.000 0.488 5 I N 2.330 123.016 120.570 0.193 0.000 2.362 5 I HA 0.241 4.411 4.170 0.000 0.000 0.289 5 I C -0.171 176.107 176.117 0.268 0.000 0.994 5 I CA -0.666 60.763 61.300 0.215 0.000 1.158 5 I CB 1.652 39.817 38.000 0.274 0.000 1.315 5 I HN 0.415 nan 8.210 nan 0.000 0.451 6 E N 6.923 127.253 120.200 0.216 0.000 2.081 6 E HA 0.375 4.725 4.350 0.000 0.000 0.276 6 E C -1.404 175.387 176.600 0.318 0.000 0.950 6 E CA -0.463 56.058 56.400 0.202 0.000 0.776 6 E CB 1.177 30.951 29.700 0.124 0.000 1.094 6 E HN 0.493 nan 8.360 nan 0.000 0.402 7 Y N 0.683 121.115 120.300 0.219 0.000 2.605 7 Y HA 0.512 5.062 4.550 -0.000 0.000 0.343 7 Y C -1.467 174.618 175.900 0.308 0.000 1.036 7 Y CA -1.709 56.559 58.100 0.279 0.000 1.065 7 Y CB 0.875 39.536 38.460 0.336 0.000 1.288 7 Y HN 0.377 nan 8.280 nan 0.000 0.481 8 Y N 1.877 122.297 120.300 0.200 0.000 2.327 8 Y HA 0.447 4.997 4.550 0.000 0.000 0.336 8 Y C 0.089 176.046 175.900 0.095 0.000 1.035 8 Y CA -0.484 57.657 58.100 0.068 0.000 1.165 8 Y CB 1.387 39.899 38.460 0.086 0.000 1.181 8 Y HN 0.761 nan 8.280 nan 0.000 0.494 9 S N 5.187 120.521 115.700 -0.609 0.000 2.399 9 S HA 0.100 4.570 4.470 0.000 0.000 0.301 9 S C 0.887 175.062 174.600 -0.709 0.000 1.093 9 S CA -0.655 57.264 58.200 -0.468 0.000 1.077 9 S CB 0.788 63.676 63.200 -0.520 0.000 0.980 9 S HN 0.915 nan 8.310 nan 0.000 0.494 10 Q N 4.581 124.200 119.800 -0.302 0.000 2.119 10 Q HA -0.041 4.299 4.340 0.000 0.000 0.201 10 Q C 1.623 177.503 176.000 -0.200 0.000 0.972 10 Q CA 1.868 57.582 55.803 -0.149 0.000 0.847 10 Q CB -0.487 28.272 28.738 0.035 0.000 0.903 10 Q HN 0.670 nan 8.270 nan 0.000 0.433 11 V N 0.203 119.993 119.914 -0.208 0.000 2.343 11 V HA -0.220 3.900 4.120 0.000 0.000 0.247 11 V C 2.016 177.909 176.094 -0.334 0.000 1.051 11 V CA 1.678 63.848 62.300 -0.216 0.000 1.036 11 V CB -0.414 31.306 31.823 -0.172 0.000 0.654 11 V HN 0.379 nan 8.190 nan 0.000 0.451 12 L N -0.962 119.981 121.223 -0.466 0.000 2.567 12 L HA 0.146 4.486 4.340 0.000 0.000 0.225 12 L C 0.568 177.112 176.870 -0.543 0.000 1.119 12 L CA -0.086 54.389 54.840 -0.608 0.000 0.871 12 L CB -0.603 40.973 42.059 -0.805 0.000 1.036 12 L HN 0.382 nan 8.230 nan 0.000 0.459 16 W N 1.364 122.475 121.300 -0.315 0.000 3.165 16 W HA 0.760 5.420 4.660 0.000 0.000 0.351 16 W C -0.785 175.479 176.519 -0.426 0.000 1.164 16 W CA -0.554 56.538 57.345 -0.422 0.000 1.074 16 W CB 2.318 31.402 29.460 -0.627 0.000 1.499 16 W HN 0.637 nan 8.180 nan 0.000 0.600 17 G N 0.158 108.618 108.800 -0.566 0.000 2.718 17 G HA2 0.700 4.660 3.960 0.000 0.000 0.295 17 G HA3 0.700 4.660 3.960 0.000 0.000 0.295 17 G C -2.120 172.671 174.900 -0.182 0.000 1.421 17 G CA -0.199 44.706 45.100 -0.324 0.000 0.902 17 G HN 0.955 nan 8.290 nan 0.000 0.501 18 V N 0.066 120.086 119.914 0.176 0.000 3.178 18 V HA 0.826 4.947 4.120 0.000 0.000 0.302 18 V C -1.272 175.009 176.094 0.312 0.000 1.262 18 V CA -1.493 60.974 62.300 0.278 0.000 1.030 18 V CB 2.427 34.473 31.823 0.372 0.000 1.074 18 V HN 0.620 nan 8.190 nan 0.000 0.438 19 N N 1.202 120.088 118.700 0.309 0.000 2.361 19 N HA 0.834 5.574 4.740 0.000 0.000 0.302 19 N C -1.368 174.243 175.510 0.169 0.000 1.074 19 N CA -0.370 52.818 53.050 0.230 0.000 0.850 19 N CB 2.371 40.978 38.487 0.201 0.000 1.228 19 N HN 0.586 nan 8.380 nan 0.000 0.491 20 V N 2.308 122.300 119.914 0.130 0.000 2.588 20 V HA 0.445 4.565 4.120 0.000 0.000 0.304 20 V C -0.192 175.923 176.094 0.035 0.000 1.042 20 V CA -0.769 61.568 62.300 0.060 0.000 0.877 20 V CB 2.009 33.866 31.823 0.056 0.000 0.996 20 V HN 0.416 nan 8.190 nan 0.000 0.425 21 L N 4.816 126.033 121.223 -0.009 0.000 2.275 21 L HA 0.542 4.882 4.340 0.000 0.000 0.288 21 L C -1.121 175.719 176.870 -0.049 0.000 1.046 21 L CA -0.457 54.379 54.840 -0.007 0.000 0.805 21 L CB 1.040 43.089 42.059 -0.017 0.000 1.193 21 L HN 0.621 nan 8.230 nan 0.000 0.426 22 Y N 5.372 125.601 120.300 -0.119 0.000 2.331 22 Y HA 0.412 4.962 4.550 0.001 0.000 0.334 22 Y C -2.141 173.706 175.900 -0.089 0.000 0.960 22 Y CA -2.151 55.857 58.100 -0.155 0.000 1.130 22 Y CB 2.055 40.389 38.460 -0.210 0.000 1.164 22 Y HN 0.383 nan 8.280 nan 0.000 0.458 23 P HA -0.020 nan 4.420 nan 0.000 0.268 23 P C -0.564 176.807 177.300 0.118 0.000 1.205 23 P CA 0.158 63.263 63.100 0.008 0.000 0.771 23 P CB 1.150 32.805 31.700 -0.076 0.000 0.858 35 D N 1.447 121.855 120.400 0.013 0.000 2.705 35 D HA -0.169 4.472 4.640 0.000 0.000 0.240 35 D C -0.796 175.487 176.300 -0.029 0.000 1.137 35 D CA 0.686 54.683 54.000 -0.006 0.000 0.677 35 D CB -1.191 39.607 40.800 -0.004 0.000 1.049 35 D HN 0.519 nan 8.370 nan 0.000 0.427 36 I N 0.594 121.135 120.570 -0.048 0.000 2.416 36 I HA 0.259 4.430 4.170 0.000 0.000 0.288 36 I C -1.550 174.492 176.117 -0.125 0.000 1.051 36 I CA -1.866 59.377 61.300 -0.094 0.000 1.375 36 I CB 0.824 38.724 38.000 -0.167 0.000 1.407 36 I HN 0.014 nan 8.210 nan 0.000 0.516 37 P HA 0.032 nan 4.420 nan 0.000 0.269 37 P C -0.830 176.358 177.300 -0.187 0.000 1.217 37 P CA -0.056 62.952 63.100 -0.153 0.000 0.783 37 P CB 0.796 32.506 31.700 0.017 0.000 0.898 38 V N 3.622 123.373 119.914 -0.271 0.000 2.760 38 V HA 0.573 4.694 4.120 0.000 0.000 0.309 38 V C -1.517 174.525 176.094 -0.086 0.000 1.077 38 V CA -0.959 61.222 62.300 -0.199 0.000 0.910 38 V CB 1.812 33.510 31.823 -0.210 0.000 1.008 38 V HN 0.304 nan 8.190 nan 0.000 0.424 39 L N 7.348 128.566 121.223 -0.009 0.000 2.325 39 L HA 0.633 4.973 4.340 0.000 0.000 0.281 39 L C -1.368 175.500 176.870 -0.002 0.000 1.004 39 L CA -0.075 54.853 54.840 0.147 0.000 0.823 39 L CB 1.448 43.588 42.059 0.134 0.000 1.236 39 L HN 0.663 nan 8.230 nan 0.000 0.415 40 Y N 5.444 125.810 120.300 0.110 0.000 2.336 40 Y HA 0.515 5.065 4.550 0.000 0.000 0.335 40 Y C -0.317 175.563 175.900 -0.032 0.000 1.046 40 Y CA -0.182 57.957 58.100 0.066 0.000 1.198 40 Y CB 1.506 40.030 38.460 0.108 0.000 1.182 40 Y HN 0.519 nan 8.280 nan 0.000 0.502 41 L N 5.690 126.943 121.223 0.049 0.000 2.342 41 L HA 0.506 4.846 4.340 0.000 0.000 0.276 41 L C -1.459 175.430 176.870 0.031 0.000 0.997 41 L CA -0.573 54.175 54.840 -0.152 0.000 0.838 41 L CB 0.781 42.580 42.059 -0.435 0.000 1.224 41 L HN 0.524 nan 8.230 nan 0.000 0.416 42 L N 5.275 126.559 121.223 0.102 0.000 2.295 42 L HA 0.479 4.819 4.340 0.000 0.000 0.285 42 L C 0.350 177.539 176.870 0.532 0.000 1.035 42 L CA -0.880 54.097 54.840 0.228 0.000 0.806 42 L CB 1.196 43.162 42.059 -0.154 0.000 1.214 42 L HN 0.667 nan 8.230 nan 0.000 0.426 43 H N 1.298 120.716 119.070 0.579 0.000 2.581 43 H HA 0.484 5.041 4.556 0.000 0.000 0.369 43 H C -0.205 175.271 175.328 0.247 0.000 1.351 43 H CA -0.447 55.872 56.048 0.451 0.000 1.434 43 H CB 1.212 31.193 29.762 0.365 0.000 1.558 43 H HN 0.615 nan 8.280 nan 0.000 0.608 47 G N 1.867 110.728 108.800 0.102 0.000 2.568 47 G HA2 0.746 4.706 3.960 0.000 0.000 0.293 47 G HA3 0.746 4.706 3.960 0.000 0.000 0.293 47 G C -0.510 174.137 174.900 -0.421 0.000 1.347 47 G CA -0.355 44.737 45.100 -0.012 0.000 1.039 47 G HN 0.835 nan 8.290 nan 0.000 0.523 48 N N -3.563 114.769 118.700 -0.613 0.000 3.449 48 N HA 0.092 4.832 4.740 0.000 0.000 0.312 48 N C 0.874 176.178 175.510 -0.344 0.000 1.582 48 N CA -0.439 52.159 53.050 -0.753 0.000 0.850 48 N CB 0.466 38.787 38.487 -0.276 0.000 1.822 48 N HN 0.546 nan 8.380 nan 0.000 0.577 49 H N -0.341 118.656 119.070 -0.121 0.000 2.489 49 H HA 0.037 4.593 4.556 -0.000 0.000 0.293 49 H C 0.336 175.729 175.328 0.109 0.000 1.066 49 H CA 1.145 57.260 56.048 0.113 0.000 1.305 49 H CB -0.693 29.133 29.762 0.106 0.000 1.386 49 H HN 0.438 nan 8.280 nan 0.000 0.551 50 N N 0.761 119.217 118.700 -0.407 0.000 2.494 50 N HA -0.038 4.702 4.740 0.000 0.000 0.182 50 N C 1.723 177.173 175.510 -0.099 0.000 1.076 50 N CA 0.604 53.508 53.050 -0.243 0.000 0.908 50 N CB 0.062 38.349 38.487 -0.333 0.000 0.967 50 N HN 0.283 nan 8.380 nan 0.000 0.449 51 S N 0.194 115.869 115.700 -0.041 0.000 2.353 51 S HA -0.136 4.334 4.470 0.000 0.000 0.222 51 S C 1.521 175.994 174.600 -0.211 0.000 1.035 51 S CA 1.040 59.191 58.200 -0.081 0.000 1.025 51 S CB -0.332 62.936 63.200 0.113 0.000 0.902 51 S HN 0.492 nan 8.310 nan 0.000 0.440 52 W N 1.644 122.943 121.300 -0.002 0.000 2.374 52 W HA 0.077 4.737 4.660 -0.000 0.000 0.288 52 W C 1.976 178.428 176.519 -0.113 0.000 1.218 52 W CA 0.397 57.728 57.345 -0.024 0.000 1.245 52 W CB -0.481 29.070 29.460 0.151 0.000 1.126 52 W HN 0.244 nan 8.180 nan 0.000 0.545 53 L N -0.133 121.160 121.223 0.117 0.000 2.109 53 L HA -0.134 4.206 4.340 0.000 0.000 0.207 53 L C 2.170 178.993 176.870 -0.078 0.000 1.086 53 L CA 1.252 56.110 54.840 0.030 0.000 0.760 53 L CB -0.611 41.466 42.059 0.031 0.000 0.910 53 L HN -0.084 nan 8.230 nan 0.000 0.437 54 K N -0.555 119.751 120.400 -0.158 0.000 2.228 54 K HA 0.000 4.321 4.320 0.000 0.000 0.202 54 K C 1.734 178.142 176.600 -0.320 0.000 1.051 54 K CA 0.639 56.801 56.287 -0.208 0.000 0.960 54 K CB 0.249 32.625 32.500 -0.206 0.000 0.743 54 K HN 0.112 nan 8.250 nan 0.000 0.458 55 R N 0.239 120.415 120.500 -0.541 0.000 2.437 55 R HA 0.100 4.440 4.340 0.000 0.000 0.257 55 R C 0.633 176.564 176.300 -0.614 0.000 0.927 55 R CA 0.412 55.995 56.100 -0.862 0.000 1.078 55 R CB 1.033 30.117 30.300 -2.027 0.000 1.161 55 R HN 0.244 nan 8.270 nan 0.000 0.529 56 T N -3.023 111.338 114.554 -0.321 0.000 2.812 56 T HA 0.339 4.689 4.350 0.000 0.000 0.294 56 T C 0.054 174.752 174.700 -0.003 0.000 1.159 56 T CA -0.728 61.330 62.100 -0.071 0.000 1.008 56 T CB 1.770 70.726 68.868 0.147 0.000 1.289 56 T HN -0.235 nan 8.240 nan 0.000 0.514 57 N N 0.762 119.484 118.700 0.037 0.000 2.327 57 N HA 0.124 4.864 4.740 0.000 0.000 0.231 57 N C 1.615 177.167 175.510 0.070 0.000 1.130 57 N CA -0.008 53.065 53.050 0.038 0.000 0.845 57 N CB 0.337 38.838 38.487 0.023 0.000 1.073 57 N HN 0.496 nan 8.380 nan 0.000 0.496 58 V N 0.595 120.579 119.914 0.117 0.000 2.370 58 V HA -0.283 3.837 4.120 0.000 0.000 0.252 58 V C 2.193 178.327 176.094 0.067 0.000 1.068 58 V CA 2.022 64.388 62.300 0.110 0.000 1.061 58 V CB -0.066 31.856 31.823 0.165 0.000 0.656 58 V HN 0.389 nan 8.190 nan 0.000 0.455 59 E N -0.414 119.821 120.200 0.059 0.000 2.038 59 E HA -0.302 4.049 4.350 0.000 0.000 0.195 59 E C 2.474 179.098 176.600 0.039 0.000 1.000 59 E CA 1.778 58.203 56.400 0.041 0.000 0.803 59 E CB -0.258 29.462 29.700 0.033 0.000 0.750 59 E HN 0.575 nan 8.360 nan 0.000 0.448 60 R N -0.144 120.379 120.500 0.037 0.000 2.096 60 R HA -0.157 4.183 4.340 0.000 0.000 0.235 60 R C 2.323 178.656 176.300 0.055 0.000 1.127 60 R CA 1.001 57.121 56.100 0.034 0.000 0.968 60 R CB -0.138 30.177 30.300 0.024 0.000 0.861 60 R HN 0.149 nan 8.270 nan 0.000 0.440 61 L N 0.452 121.724 121.223 0.082 0.000 2.127 61 L HA -0.172 4.168 4.340 0.000 0.000 0.211 61 L C 1.904 178.901 176.870 0.213 0.000 1.089 61 L CA 1.329 56.263 54.840 0.158 0.000 0.757 61 L CB -0.356 41.785 42.059 0.138 0.000 0.899 61 L HN 0.268 nan 8.230 nan 0.000 0.434 62 L N -0.618 120.674 121.223 0.116 0.000 2.599 62 L HA 0.001 4.341 4.340 0.000 0.000 0.230 62 L C 1.182 178.094 176.870 0.070 0.000 1.141 62 L CA 0.238 55.136 54.840 0.098 0.000 0.877 62 L CB -0.803 41.276 42.059 0.033 0.000 1.009 62 L HN 0.298 nan 8.230 nan 0.000 0.447 63 R N 0.343 120.874 120.500 0.052 0.000 2.504 63 R HA 0.049 4.389 4.340 0.000 0.000 0.291 63 R C 1.189 177.493 176.300 0.006 0.000 0.974 63 R CA 1.041 57.153 56.100 0.020 0.000 1.077 63 R CB 0.133 30.436 30.300 0.005 0.000 0.926 63 R HN 0.385 nan 8.270 nan 0.000 0.407 64 G N 3.066 111.867 108.800 0.001 0.000 2.175 64 G HA2 -0.280 3.680 3.960 0.000 0.000 0.265 64 G HA3 -0.280 3.680 3.960 0.000 0.000 0.265 64 G C -0.066 174.833 174.900 -0.002 0.000 0.979 64 G CA 0.755 45.849 45.100 -0.010 0.000 0.663 64 G HN 0.640 nan 8.290 nan 0.000 0.533 65 T N 0.461 115.029 114.554 0.024 0.000 2.767 65 T HA 0.433 4.783 4.350 0.000 0.000 0.284 65 T C 0.216 174.921 174.700 0.008 0.000 0.973 65 T CA -0.373 61.754 62.100 0.045 0.000 0.996 65 T CB 1.338 70.286 68.868 0.133 0.000 0.927 65 T HN 0.246 nan 8.240 nan 0.000 0.456 66 N N 3.465 122.165 118.700 -0.001 0.000 2.819 66 N HA 0.301 5.041 4.740 0.000 0.000 0.284 66 N C -1.220 174.263 175.510 -0.045 0.000 1.196 66 N CA -0.310 52.722 53.050 -0.029 0.000 1.114 66 N CB -0.579 37.897 38.487 -0.019 0.000 1.437 66 N HN 0.437 nan 8.380 nan 0.000 0.518 67 L N 3.152 124.327 121.223 -0.080 0.000 2.543 67 L HA 0.549 4.890 4.340 0.000 0.000 0.265 67 L C -1.213 175.548 176.870 -0.182 0.000 0.945 67 L CA -0.529 54.257 54.840 -0.090 0.000 0.869 67 L CB 1.404 43.445 42.059 -0.030 0.000 1.294 67 L HN 0.158 nan 8.230 nan 0.000 0.405 68 I N 4.924 125.333 120.570 -0.269 0.000 2.474 68 I HA 0.435 4.605 4.170 0.000 0.000 0.287 68 I C -0.499 175.476 176.117 -0.236 0.000 1.048 68 I CA -0.540 60.545 61.300 -0.358 0.000 1.383 68 I CB 1.478 39.179 38.000 -0.499 0.000 1.412 68 I HN 0.304 nan 8.210 nan 0.000 0.531 69 V N 7.242 127.037 119.914 -0.198 0.000 2.448 69 V HA 0.426 4.546 4.120 0.000 0.000 0.295 69 V C 0.129 176.131 176.094 -0.153 0.000 1.025 69 V CA -0.548 61.658 62.300 -0.157 0.000 0.859 69 V CB 1.742 33.502 31.823 -0.106 0.000 0.988 69 V HN 0.438 nan 8.190 nan 0.000 0.431 73 N N -0.989 118.050 118.700 0.565 0.000 2.399 73 N HA 0.461 5.201 4.740 0.000 0.000 0.280 73 N C -0.313 175.620 175.510 0.705 0.000 1.008 73 N CA -0.147 53.240 53.050 0.562 0.000 0.894 73 N CB 1.865 40.353 38.487 0.002 0.000 1.273 73 N HN 0.462 nan 8.380 nan 0.000 0.486 74 T N 1.379 116.232 114.554 0.499 0.000 3.054 74 T HA 0.102 4.452 4.350 0.000 0.000 0.255 74 T C 0.162 174.646 174.700 -0.360 0.000 1.035 74 T CA 0.301 62.328 62.100 -0.122 0.000 0.941 74 T CB -0.414 67.946 68.868 -0.847 0.000 1.026 74 T HN 0.572 nan 8.240 nan 0.000 0.533 75 S N 2.127 117.874 115.700 0.077 0.000 3.447 75 S HA -0.239 4.231 4.470 0.000 0.000 0.371 75 S C 0.505 175.074 174.600 -0.052 0.000 0.951 75 S CA 0.861 59.090 58.200 0.048 0.000 1.269 75 S CB -1.923 61.446 63.200 0.282 0.000 0.919 75 S HN 0.810 nan 8.310 nan 0.000 0.516 76 N N -1.888 116.787 118.700 -0.042 0.000 2.800 76 N HA -0.180 4.560 4.740 0.000 0.000 0.250 76 N C 0.539 176.103 175.510 0.089 0.000 1.078 76 N CA 1.532 54.608 53.050 0.043 0.000 0.804 76 N CB -1.534 37.031 38.487 0.130 0.000 1.135 76 N HN 0.782 nan 8.380 nan 0.000 0.565 77 G N -2.405 106.247 108.800 -0.247 0.000 3.189 77 G HA2 0.181 4.141 3.960 0.000 0.000 0.225 77 G HA3 0.181 4.141 3.960 0.000 0.000 0.225 77 G C 0.244 175.186 174.900 0.071 0.000 1.159 77 G CA 0.266 45.285 45.100 -0.135 0.000 0.763 77 G HN 0.440 nan 8.290 nan 0.000 0.549 78 W N -1.439 119.756 121.300 -0.176 0.000 4.141 78 W HA -0.269 4.391 4.660 0.001 0.000 0.336 78 W C 0.253 176.977 176.519 0.342 0.000 1.258 78 W CA 0.232 57.643 57.345 0.109 0.000 0.747 78 W CB -2.808 26.711 29.460 0.100 0.000 2.338 78 W HN 0.397 nan 8.180 nan 0.000 1.410 79 Y N -2.410 118.079 120.300 0.315 0.000 3.491 79 Y HA -0.294 4.256 4.550 0.000 0.000 0.215 79 Y C 0.846 177.064 175.900 0.530 0.000 1.219 79 Y CA 1.399 59.724 58.100 0.376 0.000 1.485 79 Y CB -1.979 36.666 38.460 0.309 0.000 1.450 79 Y HN 0.052 nan 8.280 nan 0.000 0.603 80 T N -0.220 114.665 114.554 0.552 0.000 2.876 80 T HA 0.342 4.692 4.350 0.000 0.000 0.289 80 T C -0.422 174.503 174.700 0.376 0.000 1.014 80 T CA -1.040 61.357 62.100 0.495 0.000 0.986 80 T CB 1.525 70.648 68.868 0.424 0.000 1.021 80 T HN -0.093 nan 8.240 nan 0.000 0.458 81 D N 3.477 124.059 120.400 0.304 0.000 2.348 81 D HA 0.216 4.856 4.640 0.000 0.000 0.259 81 D C 1.007 177.351 176.300 0.074 0.000 1.296 81 D CA 0.174 54.267 54.000 0.154 0.000 0.931 81 D CB 0.507 41.389 40.800 0.136 0.000 1.067 81 D HN 0.586 nan 8.370 nan 0.000 0.503 82 T N 0.037 114.549 114.554 -0.071 0.000 2.754 82 T HA 0.055 4.405 4.350 0.000 0.000 0.286 82 T C 1.147 175.749 174.700 -0.164 0.000 0.997 82 T CA -0.555 61.417 62.100 -0.214 0.000 0.982 82 T CB 1.040 69.488 68.868 -0.699 0.000 1.027 82 T HN 0.111 nan 8.240 nan 0.000 0.529 83 Q N 0.025 119.772 119.800 -0.088 0.000 2.472 83 Q HA 0.032 4.372 4.340 0.000 0.000 0.208 83 Q C 0.865 176.919 176.000 0.091 0.000 0.958 83 Q CA 0.766 56.589 55.803 0.033 0.000 0.932 83 Q CB -0.273 28.514 28.738 0.080 0.000 1.007 83 Q HN 1.007 nan 8.270 nan 0.000 0.508 84 Y N -3.065 117.274 120.300 0.065 0.000 2.681 84 Y HA 0.606 5.156 4.550 0.000 0.000 0.267 84 Y C 1.005 177.031 175.900 0.211 0.000 1.166 84 Y CA -0.203 57.961 58.100 0.106 0.000 1.209 84 Y CB 0.224 38.725 38.460 0.069 0.000 1.161 84 Y HN 0.015 nan 8.280 nan 0.000 0.534 85 G N 0.197 108.996 108.800 -0.003 0.000 2.157 85 G HA2 -0.274 3.686 3.960 0.000 0.000 0.239 85 G HA3 -0.274 3.686 3.960 0.000 0.000 0.239 85 G C -0.407 174.390 174.900 -0.172 0.000 0.982 85 G CA -0.201 44.879 45.100 -0.034 0.000 0.650 85 G HN 0.366 nan 8.290 nan 0.000 0.527 86 F N 1.643 121.300 119.950 -0.489 0.000 2.361 86 F HA 0.402 4.929 4.527 0.000 0.000 0.364 86 F C -0.022 175.408 175.800 -0.617 0.000 1.120 86 F CA -0.934 56.682 58.000 -0.639 0.000 1.102 86 F CB 1.366 39.858 39.000 -0.847 0.000 1.183 86 F HN -0.125 nan 8.300 nan 0.000 0.476 87 D N 4.314 124.491 120.400 -0.372 0.000 2.631 87 D HA 0.034 4.674 4.640 0.000 0.000 0.227 87 D C 0.810 177.037 176.300 -0.122 0.000 1.146 87 D CA 0.184 54.079 54.000 -0.174 0.000 1.009 87 D CB -0.010 40.718 40.800 -0.120 0.000 1.057 87 D HN 0.480 nan 8.370 nan 0.000 0.509 88 Y N -0.298 120.033 120.300 0.051 0.000 2.242 88 Y HA -0.225 4.325 4.550 0.000 0.000 0.291 88 Y C 2.125 178.113 175.900 0.146 0.000 1.137 88 Y CA 0.791 58.932 58.100 0.067 0.000 1.181 88 Y CB -0.492 38.023 38.460 0.092 0.000 0.989 88 Y HN 0.348 nan 8.280 nan 0.000 0.527 89 Y N 0.657 121.117 120.300 0.266 0.000 2.114 89 Y HA -0.275 4.275 4.550 0.001 0.000 0.284 89 Y C 2.435 178.427 175.900 0.153 0.000 1.143 89 Y CA 2.328 60.570 58.100 0.236 0.000 1.135 89 Y CB -0.738 37.853 38.460 0.219 0.000 0.980 89 Y HN 0.023 nan 8.280 nan 0.000 0.499 90 T N 0.902 115.514 114.554 0.097 0.000 2.720 90 T HA -0.216 4.134 4.350 0.000 0.000 0.268 90 T C 2.097 176.745 174.700 -0.087 0.000 1.037 90 T CA 1.449 63.529 62.100 -0.034 0.000 1.144 90 T CB -0.825 68.073 68.868 0.051 0.000 0.864 90 T HN 0.516 nan 8.240 nan 0.000 0.444 91 A N 1.003 123.795 122.820 -0.046 0.000 1.902 91 A HA 0.028 4.349 4.320 0.000 0.000 0.217 91 A C 2.237 179.846 177.584 0.042 0.000 1.181 91 A CA 1.232 53.248 52.037 -0.036 0.000 0.623 91 A CB -0.589 18.349 19.000 -0.102 0.000 0.818 91 A HN 0.502 nan 8.150 nan 0.000 0.443 92 L N -2.046 119.212 121.223 0.059 0.000 2.357 92 L HA 0.129 4.469 4.340 0.000 0.000 0.211 92 L C 2.786 179.631 176.870 -0.042 0.000 1.075 92 L CA 0.755 55.667 54.840 0.120 0.000 0.830 92 L CB -0.306 41.924 42.059 0.286 0.000 0.996 92 L HN 0.373 nan 8.230 nan 0.000 0.467 93 A N -0.594 122.070 122.820 -0.260 0.000 2.030 93 A HA -0.021 4.299 4.320 0.000 0.000 0.215 93 A C 2.055 179.502 177.584 -0.227 0.000 1.164 93 A CA 0.891 52.719 52.037 -0.349 0.000 0.697 93 A CB 0.085 18.575 19.000 -0.850 0.000 0.827 93 A HN 0.250 nan 8.150 nan 0.000 0.457 94 E N -1.015 119.074 120.200 -0.185 0.000 2.419 94 E HA 0.002 4.352 4.350 0.000 0.000 0.197 94 E C 1.818 178.380 176.600 -0.064 0.000 0.920 94 E CA 0.751 57.087 56.400 -0.107 0.000 1.085 94 E CB -0.497 29.154 29.700 -0.082 0.000 1.084 94 E HN 0.709 nan 8.360 nan 0.000 0.490 95 E N 1.058 121.232 120.200 -0.045 0.000 2.047 95 E HA -0.147 4.203 4.350 0.000 0.000 0.191 95 E C 2.187 178.781 176.600 -0.010 0.000 0.987 95 E CA 0.617 57.005 56.400 -0.019 0.000 0.799 95 E CB 0.048 29.748 29.700 0.000 0.000 0.752 95 E HN -0.011 nan 8.360 nan 0.000 0.449 96 L N 1.319 122.566 121.223 0.039 0.000 1.989 96 L HA -0.112 4.228 4.340 0.000 0.000 0.211 96 L C -1.019 175.883 176.870 0.054 0.000 1.071 96 L CA 2.039 56.913 54.840 0.056 0.000 0.749 96 L CB -1.168 41.011 42.059 0.200 0.000 0.890 96 L HN 0.117 nan 8.230 nan 0.000 0.431 97 P HA -0.201 nan 4.420 nan 0.000 0.216 97 P C 1.477 178.777 177.300 0.001 0.000 1.150 97 P CA 1.578 64.734 63.100 0.094 0.000 0.843 97 P CB -0.062 31.641 31.700 0.005 0.000 0.787 98 Q N -0.922 118.847 119.800 -0.052 0.000 2.079 98 Q HA -0.093 4.247 4.340 0.000 0.000 0.200 98 Q C 2.126 178.015 176.000 -0.184 0.000 0.974 98 Q CA 1.195 56.942 55.803 -0.093 0.000 0.840 98 Q CB -0.820 27.869 28.738 -0.082 0.000 0.898 98 Q HN 0.102 nan 8.270 nan 0.000 0.430 99 V N 1.254 121.024 119.914 -0.240 0.000 2.295 99 V HA -0.264 3.856 4.120 0.000 0.000 0.246 99 V C 2.159 177.854 176.094 -0.665 0.000 1.049 99 V CA 1.638 63.639 62.300 -0.498 0.000 1.024 99 V CB -0.477 31.055 31.823 -0.486 0.000 0.648 99 V HN 0.341 nan 8.190 nan 0.000 0.447 100 L N -0.420 120.642 121.223 -0.268 0.000 2.072 100 L HA -0.156 4.184 4.340 0.000 0.000 0.205 100 L C 2.559 179.434 176.870 0.008 0.000 1.079 100 L CA 1.669 56.498 54.840 -0.018 0.000 0.752 100 L CB -0.643 41.553 42.059 0.230 0.000 0.906 100 L HN 0.288 nan 8.230 nan 0.000 0.436 101 K N 0.618 121.004 120.400 -0.023 0.000 2.103 101 K HA -0.256 4.064 4.320 0.000 0.000 0.207 101 K C 2.338 178.904 176.600 -0.057 0.000 1.048 101 K CA 1.542 57.830 56.287 0.002 0.000 0.930 101 K CB -0.018 32.469 32.500 -0.021 0.000 0.716 101 K HN 0.120 nan 8.250 nan 0.000 0.444 102 R N -0.585 119.797 120.500 -0.196 0.000 2.075 102 R HA -0.111 4.229 4.340 0.000 0.000 0.232 102 R C 2.031 178.242 176.300 -0.148 0.000 1.126 102 R CA 1.487 57.463 56.100 -0.208 0.000 0.963 102 R CB -0.182 29.933 30.300 -0.310 0.000 0.858 102 R HN 0.124 nan 8.270 nan 0.000 0.435 103 F N -0.172 119.586 119.950 -0.321 0.000 2.146 103 F HA -0.011 4.516 4.527 0.001 0.000 0.298 103 F C 0.719 176.171 175.800 -0.579 0.000 1.096 103 F CA 0.823 58.450 58.000 -0.623 0.000 1.275 103 F CB -0.270 37.994 39.000 -1.226 0.000 1.008 103 F HN -0.104 nan 8.300 nan 0.000 0.480 104 F N 0.337 120.426 119.950 0.232 0.000 2.449 104 F HA 0.408 4.935 4.527 -0.000 0.000 0.329 104 F C -1.765 174.112 175.800 0.127 0.000 1.245 104 F CA -3.091 55.025 58.000 0.194 0.000 1.193 104 F CB -0.320 38.844 39.000 0.273 0.000 1.425 104 F HN -0.189 nan 8.300 nan 0.000 0.544 105 P HA -0.104 nan 4.420 nan 0.000 0.221 105 P C 0.341 177.723 177.300 0.136 0.000 1.145 105 P CA 1.152 64.331 63.100 0.132 0.000 0.795 105 P CB 0.226 31.978 31.700 0.087 0.000 0.775 109 S N 1.589 117.260 115.700 -0.047 0.000 2.650 109 S HA 0.404 4.874 4.470 0.000 0.000 0.240 109 S C 0.081 174.634 174.600 -0.079 0.000 1.007 109 S CA -0.587 57.578 58.200 -0.057 0.000 0.984 109 S CB -0.083 63.094 63.200 -0.037 0.000 0.910 109 S HN 0.565 nan 8.310 nan 0.000 0.509 110 K N 1.535 121.885 120.400 -0.084 0.000 2.156 110 K HA 0.391 4.711 4.320 0.000 0.000 0.271 110 K C 0.846 177.382 176.600 -0.106 0.000 0.995 110 K CA -0.700 55.541 56.287 -0.077 0.000 0.890 110 K CB 1.423 33.893 32.500 -0.050 0.000 1.073 110 K HN 0.069 nan 8.250 nan 0.000 0.454 111 R N 2.451 122.898 120.500 -0.088 0.000 2.091 111 R HA -0.220 4.120 4.340 0.000 0.000 0.238 111 R C 1.844 178.133 176.300 -0.017 0.000 1.136 111 R CA 1.953 58.004 56.100 -0.082 0.000 0.959 111 R CB 0.060 30.330 30.300 -0.051 0.000 0.856 111 R HN 0.790 nan 8.270 nan 0.000 0.437 112 E N 0.645 120.855 120.200 0.017 0.000 2.219 112 E HA -0.225 4.125 4.350 0.000 0.000 0.198 112 E C 0.536 177.215 176.600 0.132 0.000 0.998 112 E CA 1.425 57.886 56.400 0.102 0.000 0.818 112 E CB 0.148 29.892 29.700 0.075 0.000 0.741 112 E HN 0.342 nan 8.360 nan 0.000 0.477 113 K N 0.045 120.389 120.400 -0.094 0.000 2.469 113 K HA 0.164 4.484 4.320 0.000 0.000 0.204 113 K C -0.766 175.258 176.600 -0.960 0.000 1.047 113 K CA -0.071 56.008 56.287 -0.347 0.000 1.072 113 K CB 1.500 33.904 32.500 -0.159 0.000 0.863 113 K HN -0.113 nan 8.250 nan 0.000 0.530 114 T N 1.394 115.490 114.554 -0.763 0.000 2.786 114 T HA 0.522 4.872 4.350 0.000 0.000 0.283 114 T C -0.858 173.719 174.700 -0.205 0.000 0.992 114 T CA -0.434 61.338 62.100 -0.546 0.000 0.954 114 T CB 0.489 69.188 68.868 -0.281 0.000 0.934 114 T HN -0.099 nan 8.240 nan 0.000 0.440 115 F N 2.000 122.221 119.950 0.452 0.000 2.620 115 F HA 0.794 5.321 4.527 0.000 0.000 0.320 115 F C -0.208 175.837 175.800 0.408 0.000 1.069 115 F CA -1.682 56.587 58.000 0.450 0.000 0.953 115 F CB 1.388 40.534 39.000 0.243 0.000 1.322 115 F HN 0.394 nan 8.300 nan 0.000 0.479 116 I N 0.725 121.502 120.570 0.346 0.000 2.827 116 I HA 0.855 5.025 4.170 0.000 0.000 0.298 116 I C -1.715 174.356 176.117 -0.077 0.000 1.235 116 I CA -0.592 60.694 61.300 -0.024 0.000 1.021 116 I CB 1.968 39.532 38.000 -0.725 0.000 1.259 116 I HN 0.847 nan 8.210 nan 0.000 0.427 117 A N 4.030 126.754 122.820 -0.161 0.000 2.594 117 A HA 0.935 5.255 4.320 0.000 0.000 0.295 117 A C -1.078 176.331 177.584 -0.291 0.000 1.071 117 A CA -0.074 51.742 52.037 -0.369 0.000 0.685 117 A CB 1.728 20.545 19.000 -0.306 0.000 1.285 117 A HN 1.079 nan 8.150 nan 0.000 0.405 118 G N 0.318 108.882 108.800 -0.394 0.000 2.703 118 G HA2 0.668 4.628 3.960 0.000 0.000 0.294 118 G HA3 0.668 4.628 3.960 0.000 0.000 0.294 118 G C -1.195 173.648 174.900 -0.095 0.000 1.451 118 G CA -0.403 44.634 45.100 -0.105 0.000 0.869 118 G HN 1.661 nan 8.290 nan 0.000 0.516 119 L N 0.038 121.299 121.223 0.063 0.000 2.325 119 L HA 0.903 5.243 4.340 0.000 0.000 0.278 119 L C 0.481 177.058 176.870 -0.488 0.000 1.023 119 L CA -0.591 54.027 54.840 -0.370 0.000 0.811 119 L CB 0.389 41.872 42.059 -0.960 0.000 1.249 119 L HN 1.456 nan 8.230 nan 0.000 0.431 123 G N 0.666 109.338 108.800 -0.214 0.000 2.404 123 G HA2 -0.106 3.854 3.960 0.000 0.000 0.215 123 G HA3 -0.106 3.854 3.960 0.000 0.000 0.215 123 G C 1.458 176.208 174.900 -0.249 0.000 1.174 123 G CA 1.637 46.546 45.100 -0.318 0.000 0.780 123 G HN 0.411 nan 8.290 nan 0.000 0.537 124 Y N 1.934 122.156 120.300 -0.131 0.000 2.097 124 Y HA -0.100 4.450 4.550 0.000 0.000 0.282 124 Y C 2.772 178.746 175.900 0.124 0.000 1.152 124 Y CA 1.965 60.124 58.100 0.099 0.000 1.136 124 Y CB -0.651 38.059 38.460 0.418 0.000 0.975 124 Y HN 0.113 nan 8.280 nan 0.000 0.498 125 G N -0.772 108.013 108.800 -0.025 0.000 2.440 125 G HA2 -0.357 3.603 3.960 0.000 0.000 0.218 125 G HA3 -0.357 3.603 3.960 0.000 0.000 0.218 125 G C 1.949 176.614 174.900 -0.391 0.000 1.154 125 G CA 1.104 46.007 45.100 -0.327 0.000 0.767 125 G HN 0.637 nan 8.290 nan 0.000 0.552 126 C N -0.213 118.869 119.300 -0.365 0.000 2.413 126 C HA 0.013 4.473 4.460 0.000 0.000 0.277 126 C C 2.585 177.537 174.990 -0.064 0.000 1.228 126 C CA 1.134 59.991 59.018 -0.269 0.000 1.731 126 C CB -1.283 26.311 27.740 -0.244 0.000 2.042 126 C HN 0.448 nan 8.230 nan 0.000 0.468 127 F N 0.845 120.631 119.950 -0.273 0.000 2.171 127 F HA -0.108 4.419 4.527 0.000 0.000 0.300 127 F C 2.597 178.273 175.800 -0.208 0.000 1.090 127 F CA 1.625 59.497 58.000 -0.213 0.000 1.293 127 F CB -0.354 38.545 39.000 -0.168 0.000 1.013 127 F HN 0.323 nan 8.300 nan 0.000 0.486 128 K N 0.723 121.065 120.400 -0.097 0.000 2.009 128 K HA -0.227 4.093 4.320 0.000 0.000 0.210 128 K C 1.924 178.541 176.600 0.029 0.000 1.049 128 K CA 1.488 57.705 56.287 -0.116 0.000 0.929 128 K CB -0.277 32.077 32.500 -0.244 0.000 0.714 128 K HN 0.107 nan 8.250 nan 0.000 0.440 129 L N 1.037 122.277 121.223 0.029 0.000 2.046 129 L HA -0.119 4.221 4.340 0.000 0.000 0.208 129 L C 2.503 179.441 176.870 0.115 0.000 1.077 129 L CA 1.935 56.839 54.840 0.107 0.000 0.747 129 L CB -0.825 41.209 42.059 -0.042 0.000 0.896 129 L HN 0.315 nan 8.230 nan 0.000 0.432 130 A N -0.678 122.114 122.820 -0.046 0.000 1.883 130 A HA -0.199 4.121 4.320 0.000 0.000 0.217 130 A C 2.299 179.937 177.584 0.091 0.000 1.186 130 A CA 1.895 53.958 52.037 0.043 0.000 0.624 130 A CB -0.829 18.101 19.000 -0.118 0.000 0.822 130 A HN 0.395 nan 8.150 nan 0.000 0.444 131 L N -0.503 120.731 121.223 0.019 0.000 2.156 131 L HA -0.106 4.234 4.340 0.000 0.000 0.208 131 L C 2.846 179.763 176.870 0.078 0.000 1.095 131 L CA 1.701 56.557 54.840 0.027 0.000 0.770 131 L CB -0.494 41.528 42.059 -0.063 0.000 0.914 131 L HN 0.671 nan 8.230 nan 0.000 0.439 132 T N -5.584 109.032 114.554 0.103 0.000 3.044 132 T HA -0.058 4.292 4.350 0.000 0.000 0.255 132 T C 1.754 176.542 174.700 0.147 0.000 1.073 132 T CA 0.874 63.043 62.100 0.116 0.000 1.125 132 T CB -0.283 68.662 68.868 0.129 0.000 0.908 132 T HN 0.357 nan 8.240 nan 0.000 0.480 133 T N -0.319 114.340 114.554 0.176 0.000 3.044 133 T HA 0.107 4.457 4.350 0.000 0.000 0.255 133 T C 1.050 175.788 174.700 0.063 0.000 1.073 133 T CA 0.348 62.523 62.100 0.126 0.000 1.125 133 T CB -0.485 68.460 68.868 0.127 0.000 0.908 133 T HN 0.350 nan 8.240 nan 0.000 0.480 134 N N 1.676 120.433 118.700 0.095 0.000 2.693 134 N HA -0.204 4.536 4.740 0.000 0.000 0.249 134 N C 0.792 176.288 175.510 -0.024 0.000 1.119 134 N CA 1.245 54.328 53.050 0.054 0.000 0.717 134 N CB -0.992 37.515 38.487 0.033 0.000 1.071 134 N HN 0.831 nan 8.380 nan 0.000 0.555 135 R N -0.806 119.624 120.500 -0.117 0.000 2.334 135 R HA 0.216 4.557 4.340 0.000 0.000 0.212 135 R C -0.226 175.744 176.300 -0.550 0.000 0.897 135 R CA 0.145 56.006 56.100 -0.397 0.000 1.056 135 R CB 0.306 30.250 30.300 -0.593 0.000 1.046 135 R HN -0.005 nan 8.270 nan 0.000 0.513 136 F N 0.606 120.559 119.950 0.005 0.000 2.508 136 F HA 0.333 4.860 4.527 0.000 0.000 0.325 136 F C 1.276 177.121 175.800 0.074 0.000 1.090 136 F CA -0.916 57.113 58.000 0.050 0.000 0.945 136 F CB 2.291 41.335 39.000 0.073 0.000 1.156 136 F HN -0.018 nan 8.300 nan 0.000 0.463 137 S N -0.160 115.737 115.700 0.328 0.000 2.456 137 S HA 0.150 4.620 4.470 0.000 0.000 0.224 137 S C 0.157 174.777 174.600 0.033 0.000 1.035 137 S CA 0.399 58.716 58.200 0.195 0.000 0.940 137 S CB -0.217 63.152 63.200 0.282 0.000 0.799 137 S HN 0.598 nan 8.310 nan 0.000 0.508 138 H N 0.546 119.876 119.070 0.434 0.000 2.759 138 H HA 0.715 5.271 4.556 0.000 0.000 0.354 138 H C -1.182 174.376 175.328 0.382 0.000 1.074 138 H CA -0.469 55.816 56.048 0.395 0.000 1.226 138 H CB 2.029 31.999 29.762 0.347 0.000 1.648 138 H HN 0.369 nan 8.280 nan 0.000 0.529 139 A N 1.973 124.977 122.820 0.307 0.000 2.381 139 A HA 0.726 5.047 4.320 0.000 0.000 0.299 139 A C -1.053 176.535 177.584 0.006 0.000 1.049 139 A CA -0.477 51.602 52.037 0.070 0.000 0.715 139 A CB 1.359 20.321 19.000 -0.064 0.000 1.222 139 A HN 0.724 nan 8.150 nan 0.000 0.428 140 A N 1.345 123.930 122.820 -0.391 0.000 2.343 140 A HA 0.816 5.136 4.320 0.000 0.000 0.316 140 A C -0.129 177.065 177.584 -0.649 0.000 1.104 140 A CA -0.225 51.437 52.037 -0.624 0.000 0.768 140 A CB 1.312 19.109 19.000 -2.005 0.000 1.213 140 A HN 1.620 nan 8.150 nan 0.000 0.456 141 S N 1.708 117.163 115.700 -0.408 0.000 2.449 141 S HA 0.766 5.236 4.470 0.000 0.000 0.310 141 S C -1.368 173.041 174.600 -0.319 0.000 1.096 141 S CA -0.404 57.436 58.200 -0.599 0.000 1.095 141 S CB 0.000 62.672 63.200 -0.880 0.000 1.007 141 S HN 0.435 nan 8.310 nan 0.000 0.474 142 F N 2.817 122.802 119.950 0.057 0.000 2.347 142 F HA 0.440 4.967 4.527 0.000 0.000 0.366 142 F C 1.152 176.967 175.800 0.025 0.000 1.107 142 F CA -1.048 57.094 58.000 0.238 0.000 1.058 142 F CB 0.870 40.032 39.000 0.269 0.000 1.236 142 F HN 0.639 nan 8.300 nan 0.000 0.456 143 S N 0.760 116.658 115.700 0.331 0.000 3.631 143 S HA -0.151 4.319 4.470 0.000 0.000 0.366 143 S C 0.697 175.243 174.600 -0.091 0.000 0.993 143 S CA 0.306 58.569 58.200 0.106 0.000 1.167 143 S CB -1.560 61.834 63.200 0.324 0.000 0.909 143 S HN 1.181 nan 8.310 nan 0.000 0.478 144 G N 0.236 108.934 108.800 -0.171 0.000 2.527 144 G HA2 0.507 4.467 3.960 0.000 0.000 0.248 144 G HA3 0.507 4.467 3.960 0.000 0.000 0.248 144 G C 0.358 175.115 174.900 -0.238 0.000 1.231 144 G CA -0.195 44.764 45.100 -0.235 0.000 0.838 144 G HN 1.066 nan 8.290 nan 0.000 0.570 145 A N 2.274 125.005 122.820 -0.148 0.000 3.063 145 A HA 0.352 4.672 4.320 0.000 0.000 0.263 145 A C 1.374 178.847 177.584 -0.185 0.000 1.736 145 A CA -0.401 51.487 52.037 -0.249 0.000 1.408 145 A CB -0.435 18.605 19.000 0.067 0.000 1.108 145 A HN 0.623 nan 8.150 nan 0.000 0.621 146 L N -0.014 121.069 121.223 -0.235 0.000 2.492 146 L HA 0.113 4.453 4.340 0.000 0.000 0.223 146 L C 1.038 177.902 176.870 -0.010 0.000 1.132 146 L CA 0.618 55.419 54.840 -0.065 0.000 0.850 146 L CB 0.024 41.976 42.059 -0.179 0.000 0.966 146 L HN 0.590 nan 8.230 nan 0.000 0.454 147 S N -1.666 113.854 115.700 -0.300 0.000 2.537 147 S HA 0.434 4.904 4.470 0.000 0.000 0.271 147 S C -0.586 173.486 174.600 -0.881 0.000 1.148 147 S CA -0.582 57.400 58.200 -0.364 0.000 0.868 147 S CB 0.990 64.131 63.200 -0.098 0.000 1.115 147 S HN 0.072 nan 8.310 nan 0.000 0.461 148 F N 2.167 121.291 119.950 -1.376 0.000 2.639 148 F HA 0.316 4.843 4.527 0.000 0.000 0.302 148 F C 1.981 177.525 175.800 -0.427 0.000 1.097 148 F CA -0.381 57.064 58.000 -0.926 0.000 1.294 148 F CB 0.566 38.773 39.000 -1.322 0.000 1.027 148 F HN 0.557 nan 8.300 nan 0.000 0.550 149 Q N 1.748 121.504 119.800 -0.075 0.000 2.083 149 Q HA -0.129 4.211 4.340 0.000 0.000 0.198 149 Q C 1.351 177.351 176.000 -0.000 0.000 0.969 149 Q CA 1.831 57.683 55.803 0.081 0.000 0.838 149 Q CB -0.043 28.784 28.738 0.148 0.000 0.900 149 Q HN 0.362 nan 8.270 nan 0.000 0.436 150 N N -1.150 117.531 118.700 -0.032 0.000 2.299 150 N HA 0.101 4.841 4.740 0.000 0.000 0.246 150 N C -1.155 174.361 175.510 0.011 0.000 1.254 150 N CA -0.311 52.722 53.050 -0.027 0.000 0.879 150 N CB 0.142 38.608 38.487 -0.034 0.000 1.214 150 N HN 0.120 nan 8.380 nan 0.000 0.510 151 F N 0.755 120.579 119.950 -0.210 0.000 2.561 151 F HA 0.675 5.202 4.527 0.000 0.000 0.313 151 F C -1.152 174.529 175.800 -0.199 0.000 1.126 151 F CA -0.898 56.966 58.000 -0.226 0.000 0.918 151 F CB 2.124 40.909 39.000 -0.358 0.000 1.199 151 F HN -0.067 nan 8.300 nan 0.000 0.444 152 S N 6.647 121.735 115.700 -1.020 0.000 2.500 152 S HA 0.532 5.002 4.470 0.000 0.000 0.301 152 S C -2.054 171.812 174.600 -1.224 0.000 1.092 152 S CA -1.819 55.841 58.200 -0.900 0.000 1.030 152 S CB 1.757 64.672 63.200 -0.474 0.000 1.031 152 S HN 0.539 nan 8.310 nan 0.000 0.483 153 P HA -0.046 nan 4.420 nan 0.000 0.228 153 P C 0.594 177.728 177.300 -0.276 0.000 1.151 153 P CA 0.853 63.657 63.100 -0.493 0.000 0.770 153 P CB 0.112 31.532 31.700 -0.466 0.000 0.786 154 E N -0.196 119.817 120.200 -0.311 0.000 2.347 154 E HA -0.052 4.299 4.350 0.000 0.000 0.196 154 E C 1.931 178.428 176.600 -0.173 0.000 1.008 154 E CA 0.568 56.861 56.400 -0.178 0.000 0.852 154 E CB -0.227 29.377 29.700 -0.159 0.000 0.783 154 E HN 0.262 nan 8.360 nan 0.000 0.505 155 S N 0.910 116.460 115.700 -0.250 0.000 2.399 155 S HA -0.115 4.355 4.470 0.000 0.000 0.231 155 S C 1.572 176.076 174.600 -0.162 0.000 1.022 155 S CA 1.026 59.114 58.200 -0.187 0.000 0.983 155 S CB 0.056 63.141 63.200 -0.192 0.000 0.803 155 S HN 0.296 nan 8.310 nan 0.000 0.480 156 Q N 0.194 119.880 119.800 -0.190 0.000 2.171 156 Q HA 0.244 4.584 4.340 0.000 0.000 0.218 156 Q C -0.451 175.493 176.000 -0.094 0.000 0.822 156 Q CA -0.262 55.429 55.803 -0.186 0.000 0.987 156 Q CB 0.324 28.841 28.738 -0.369 0.000 1.144 156 Q HN 0.400 nan 8.270 nan 0.000 0.494 157 N N 1.206 119.871 118.700 -0.059 0.000 2.727 157 N HA -0.170 4.570 4.740 0.000 0.000 0.251 157 N C -1.379 174.167 175.510 0.061 0.000 1.040 157 N CA 0.381 53.433 53.050 0.002 0.000 0.712 157 N CB -1.286 37.196 38.487 -0.008 0.000 0.912 157 N HN 0.286 nan 8.380 nan 0.000 0.545 158 L N 0.343 121.649 121.223 0.138 0.000 2.305 158 L HA 0.537 4.877 4.340 0.000 0.000 0.281 158 L C 1.845 178.953 176.870 0.397 0.000 1.085 158 L CA 0.345 55.343 54.840 0.263 0.000 0.813 158 L CB 0.838 43.153 42.059 0.427 0.000 1.157 158 L HN 0.510 nan 8.230 nan 0.000 0.436 159 G N 3.279 112.134 108.800 0.092 0.000 2.582 159 G HA2 -0.240 3.720 3.960 0.000 0.000 0.288 159 G HA3 -0.240 3.720 3.960 0.000 0.000 0.288 159 G C -0.225 174.707 174.900 0.053 0.000 1.247 159 G CA 0.052 45.046 45.100 -0.176 0.000 0.972 159 G HN 1.127 nan 8.290 nan 0.000 0.557 160 S N -1.682 114.092 115.700 0.124 0.000 2.587 160 S HA 0.684 5.154 4.470 0.000 0.000 0.269 160 S C -2.084 172.676 174.600 0.268 0.000 1.154 160 S CA 0.034 58.334 58.200 0.166 0.000 0.824 160 S CB 1.761 64.994 63.200 0.054 0.000 1.118 160 S HN 0.474 nan 8.310 nan 0.000 0.462 161 P HA -0.073 nan 4.420 nan 0.000 0.215 161 P C 1.696 179.072 177.300 0.126 0.000 1.157 161 P CA 2.512 65.721 63.100 0.181 0.000 0.874 161 P CB -0.214 31.543 31.700 0.096 0.000 0.790 162 A N -1.517 121.345 122.820 0.070 0.000 1.902 162 A HA -0.247 4.074 4.320 0.000 0.000 0.217 162 A C 2.311 179.880 177.584 -0.026 0.000 1.181 162 A CA 1.661 53.709 52.037 0.019 0.000 0.623 162 A CB -1.916 17.084 19.000 0.001 0.000 0.818 162 A HN 0.200 nan 8.150 nan 0.000 0.443 163 Y N -0.999 119.197 120.300 -0.173 0.000 2.114 163 Y HA -0.250 4.300 4.550 0.000 0.000 0.284 163 Y C 2.093 177.763 175.900 -0.383 0.000 1.143 163 Y CA 1.931 59.826 58.100 -0.341 0.000 1.135 163 Y CB -0.580 37.583 38.460 -0.494 0.000 0.980 163 Y HN 0.437 nan 8.280 nan 0.000 0.499 164 W N 0.615 121.818 121.300 -0.163 0.000 2.388 164 W HA -0.076 4.584 4.660 0.001 0.000 0.294 164 W C 2.511 178.867 176.519 -0.272 0.000 1.212 164 W CA 1.263 58.427 57.345 -0.302 0.000 1.271 164 W CB -0.294 29.084 29.460 -0.137 0.000 1.126 164 W HN -0.125 nan 8.180 nan 0.000 0.535 165 R N -0.024 120.494 120.500 0.030 0.000 2.096 165 R HA -0.091 4.249 4.340 0.000 0.000 0.235 165 R C 2.494 178.764 176.300 -0.050 0.000 1.127 165 R CA 1.346 57.450 56.100 0.006 0.000 0.968 165 R CB -1.176 29.141 30.300 0.028 0.000 0.861 165 R HN 0.312 nan 8.270 nan 0.000 0.440 166 G N 0.453 109.186 108.800 -0.112 0.000 2.442 166 G HA2 -0.200 3.761 3.960 0.000 0.000 0.219 166 G HA3 -0.200 3.761 3.960 0.000 0.000 0.219 166 G C 1.423 176.301 174.900 -0.036 0.000 1.141 166 G CA 0.749 45.848 45.100 -0.002 0.000 0.763 166 G HN 0.140 nan 8.290 nan 0.000 0.554 167 V N -0.623 119.057 119.914 -0.389 0.000 2.379 167 V HA 0.156 4.276 4.120 0.000 0.000 0.243 167 V C 1.856 177.526 176.094 -0.707 0.000 1.035 167 V CA 1.121 63.026 62.300 -0.657 0.000 1.035 167 V CB -0.376 30.694 31.823 -1.254 0.000 0.673 167 V HN 0.284 nan 8.190 nan 0.000 0.457 168 F N -0.093 119.649 119.950 -0.347 0.000 2.706 168 F HA 0.620 5.147 4.527 0.000 0.000 0.313 168 F C 1.446 177.075 175.800 -0.284 0.000 1.096 168 F CA 0.052 57.663 58.000 -0.649 0.000 1.219 168 F CB -0.250 38.336 39.000 -0.689 0.000 1.051 168 F HN 0.257 nan 8.300 nan 0.000 0.568 169 G N 0.842 109.660 108.800 0.031 0.000 2.601 169 G HA2 -0.236 3.724 3.960 0.000 0.000 0.261 169 G HA3 -0.236 3.724 3.960 0.000 0.000 0.261 169 G C -0.304 174.641 174.900 0.075 0.000 1.289 169 G CA -0.674 44.472 45.100 0.076 0.000 0.920 169 G HN 0.102 nan 8.290 nan 0.000 0.571 170 E N 0.209 120.452 120.200 0.071 0.000 2.259 170 E HA 0.437 4.788 4.350 0.000 0.000 0.281 170 E C 0.225 176.858 176.600 0.055 0.000 1.037 170 E CA -0.053 56.378 56.400 0.051 0.000 0.854 170 E CB 1.096 30.820 29.700 0.039 0.000 1.051 170 E HN 0.435 nan 8.360 nan 0.000 0.409 171 I N 3.381 123.969 120.570 0.031 0.000 2.355 171 I HA 0.182 4.352 4.170 0.000 0.000 0.288 171 I C 1.737 177.861 176.117 0.012 0.000 0.999 171 I CA -0.430 60.885 61.300 0.026 0.000 1.163 171 I CB 1.673 39.680 38.000 0.011 0.000 1.316 171 I HN 0.418 nan 8.210 nan 0.000 0.454 172 R N 4.156 124.664 120.500 0.012 0.000 2.062 172 R HA -0.055 4.285 4.340 0.000 0.000 0.229 172 R C -0.258 176.048 176.300 0.009 0.000 1.128 172 R CA 1.457 57.560 56.100 0.005 0.000 0.960 172 R CB 0.274 30.575 30.300 0.001 0.000 0.855 172 R HN 0.720 nan 8.270 nan 0.000 0.432 173 D N -1.410 118.999 120.400 0.016 0.000 2.891 173 D HA 0.026 4.666 4.640 0.000 0.000 0.224 173 D C 0.151 176.482 176.300 0.051 0.000 1.321 173 D CA -0.675 53.346 54.000 0.035 0.000 0.929 173 D CB 0.420 41.226 40.800 0.010 0.000 1.551 173 D HN 0.209 nan 8.370 nan 0.000 0.574 174 W N 3.599 124.862 121.300 -0.062 0.000 2.354 174 W HA -0.189 4.471 4.660 0.000 0.000 0.315 174 W C 0.786 177.291 176.519 -0.023 0.000 1.206 174 W CA 1.740 59.044 57.345 -0.068 0.000 1.290 174 W CB -0.379 29.049 29.460 -0.053 0.000 1.152 174 W HN 0.399 nan 8.180 nan 0.000 0.489 175 T N 0.603 115.165 114.554 0.014 0.000 2.788 175 T HA -0.219 4.131 4.350 0.000 0.000 0.268 175 T C 1.667 176.263 174.700 -0.174 0.000 1.044 175 T CA 2.803 64.859 62.100 -0.074 0.000 1.139 175 T CB -0.634 68.271 68.868 0.062 0.000 0.867 175 T HN 0.333 nan 8.240 nan 0.000 0.454 176 T N 0.506 114.982 114.554 -0.129 0.000 3.113 176 T HA 0.121 4.471 4.350 0.000 0.000 0.256 176 T C 1.169 175.766 174.700 -0.172 0.000 1.131 176 T CA 0.178 62.204 62.100 -0.123 0.000 1.074 176 T CB -0.348 68.478 68.868 -0.069 0.000 0.944 176 T HN 0.412 nan 8.240 nan 0.000 0.516 177 S N 2.397 117.947 115.700 -0.250 0.000 2.593 177 S HA 0.258 4.728 4.470 0.000 0.000 0.269 177 S C -1.488 172.902 174.600 -0.349 0.000 1.334 177 S CA -1.154 56.892 58.200 -0.257 0.000 1.015 177 S CB 0.978 64.045 63.200 -0.222 0.000 0.912 177 S HN 0.094 nan 8.310 nan 0.000 0.541 178 P HA -0.024 nan 4.420 nan 0.000 0.234 178 P C 0.309 177.307 177.300 -0.503 0.000 1.167 178 P CA 0.937 63.768 63.100 -0.449 0.000 0.763 178 P CB -0.264 31.134 31.700 -0.504 0.000 0.835 179 Y N 0.392 120.483 120.300 -0.348 0.000 2.517 179 Y HA 0.029 4.579 4.550 0.000 0.000 0.281 179 Y C 1.798 177.436 175.900 -0.437 0.000 1.125 179 Y CA 0.085 57.999 58.100 -0.310 0.000 1.283 179 Y CB -0.805 37.386 38.460 -0.449 0.000 1.042 179 Y HN -0.042 nan 8.280 nan 0.000 0.547 180 S N 0.506 115.803 115.700 -0.671 0.000 2.572 180 S HA 0.046 4.516 4.470 0.000 0.000 0.279 180 S C 1.204 175.831 174.600 0.044 0.000 1.341 180 S CA -0.504 57.432 58.200 -0.439 0.000 1.043 180 S CB 0.771 63.623 63.200 -0.580 0.000 0.887 180 S HN 0.379 nan 8.310 nan 0.000 0.516 181 L N 1.065 122.456 121.223 0.280 0.000 2.127 181 L HA -0.148 4.193 4.340 0.000 0.000 0.211 181 L C 2.626 179.486 176.870 -0.017 0.000 1.089 181 L CA 1.579 56.501 54.840 0.137 0.000 0.757 181 L CB -0.774 41.402 42.059 0.195 0.000 0.899 181 L HN 0.700 nan 8.230 nan 0.000 0.434 182 E N -0.180 120.015 120.200 -0.009 0.000 2.077 182 E HA -0.167 4.183 4.350 0.000 0.000 0.193 182 E C 2.360 178.920 176.600 -0.067 0.000 0.989 182 E CA 1.509 57.878 56.400 -0.052 0.000 0.800 182 E CB -0.152 29.535 29.700 -0.023 0.000 0.746 182 E HN 0.279 nan 8.360 nan 0.000 0.452 183 S N 0.305 115.948 115.700 -0.094 0.000 2.355 183 S HA -0.056 4.414 4.470 0.000 0.000 0.222 183 S C 1.922 176.471 174.600 -0.084 0.000 1.031 183 S CA 0.746 58.883 58.200 -0.104 0.000 0.993 183 S CB -0.225 62.874 63.200 -0.168 0.000 0.859 183 S HN 0.147 nan 8.310 nan 0.000 0.453 184 L N 1.363 122.536 121.223 -0.083 0.000 2.191 184 L HA -0.109 4.231 4.340 0.000 0.000 0.212 184 L C 2.644 179.483 176.870 -0.051 0.000 1.103 184 L CA 0.918 55.717 54.840 -0.068 0.000 0.769 184 L CB -0.637 41.390 42.059 -0.054 0.000 0.908 184 L HN 0.309 nan 8.230 nan 0.000 0.438 185 A N 0.102 122.873 122.820 -0.081 0.000 2.024 185 A HA -0.234 4.086 4.320 0.000 0.000 0.220 185 A C 2.265 179.930 177.584 0.134 0.000 1.164 185 A CA 1.564 53.560 52.037 -0.067 0.000 0.643 185 A CB -0.369 18.474 19.000 -0.262 0.000 0.806 185 A HN 0.352 nan 8.150 nan 0.000 0.451 186 K N -0.261 120.177 120.400 0.064 0.000 2.280 186 K HA -0.112 4.209 4.320 0.000 0.000 0.202 186 K C 1.514 178.149 176.600 0.057 0.000 1.047 186 K CA 1.369 57.695 56.287 0.065 0.000 0.942 186 K CB -0.081 32.427 32.500 0.014 0.000 0.739 186 K HN 0.469 nan 8.250 nan 0.000 0.457 187 K N 0.225 120.655 120.400 0.049 0.000 2.426 187 K HA 0.047 4.367 4.320 0.000 0.000 0.193 187 K C 0.642 177.286 176.600 0.074 0.000 1.028 187 K CA -0.030 56.283 56.287 0.043 0.000 1.047 187 K CB 0.514 33.028 32.500 0.023 0.000 0.821 187 K HN -0.093 nan 8.250 nan 0.000 0.513 188 S N 1.753 117.531 115.700 0.131 0.000 2.562 188 S HA 0.017 4.487 4.470 0.000 0.000 0.275 188 S C 0.431 175.085 174.600 0.090 0.000 1.281 188 S CA -0.786 57.513 58.200 0.165 0.000 1.045 188 S CB 0.948 64.377 63.200 0.382 0.000 0.962 188 S HN 0.279 nan 8.310 nan 0.000 0.503 189 D N 2.549 122.975 120.400 0.044 0.000 2.349 189 D HA 0.043 4.684 4.640 0.000 0.000 0.224 189 D C 0.436 176.680 176.300 -0.093 0.000 1.029 189 D CA 0.198 54.185 54.000 -0.021 0.000 0.879 189 D CB -0.250 40.542 40.800 -0.013 0.000 0.906 189 D HN 0.720 nan 8.370 nan 0.000 0.528 190 K N -1.018 119.316 120.400 -0.110 0.000 3.500 190 K HA -0.223 4.097 4.320 0.000 0.000 0.313 190 K C 0.624 177.145 176.600 -0.132 0.000 1.338 190 K CA 1.067 57.167 56.287 -0.311 0.000 0.963 190 K CB -1.389 30.755 32.500 -0.594 0.000 1.267 190 K HN 0.291 nan 8.250 nan 0.000 0.448 191 K N 0.929 121.302 120.400 -0.046 0.000 2.444 191 K HA 0.042 4.362 4.320 0.000 0.000 0.193 191 K C 0.236 176.833 176.600 -0.004 0.000 1.024 191 K CA 0.427 56.697 56.287 -0.028 0.000 1.077 191 K CB 0.412 32.900 32.500 -0.020 0.000 0.833 191 K HN 0.126 nan 8.250 nan 0.000 0.517 192 T N 1.909 116.480 114.554 0.029 0.000 2.856 192 T HA 0.166 4.517 4.350 0.000 0.000 0.292 192 T C -0.108 174.593 174.700 0.003 0.000 0.980 192 T CA -0.418 61.699 62.100 0.028 0.000 1.091 192 T CB 1.250 70.155 68.868 0.061 0.000 0.936 192 T HN -0.035 nan 8.240 nan 0.000 0.503 193 K N 3.300 123.670 120.400 -0.050 0.000 2.310 193 K HA 0.296 4.617 4.320 0.000 0.000 0.290 193 K C -0.329 176.314 176.600 0.072 0.000 1.077 193 K CA -0.212 56.073 56.287 -0.002 0.000 0.922 193 K CB 0.291 32.742 32.500 -0.082 0.000 1.057 193 K HN 0.448 nan 8.250 nan 0.000 0.479 194 L N 3.075 124.319 121.223 0.035 0.000 2.312 194 L HA 0.419 4.760 4.340 0.000 0.000 0.281 194 L C -0.550 176.472 176.870 0.254 0.000 1.070 194 L CA -0.747 54.059 54.840 -0.056 0.000 0.805 194 L CB 0.600 42.409 42.059 -0.417 0.000 1.174 194 L HN 0.632 nan 8.230 nan 0.000 0.434 195 W N 3.340 124.750 121.300 0.184 0.000 2.839 195 W HA 0.688 5.348 4.660 0.001 0.000 0.334 195 W C -1.154 175.538 176.519 0.288 0.000 1.064 195 W CA -0.427 57.062 57.345 0.239 0.000 1.236 195 W CB 1.746 31.314 29.460 0.181 0.000 1.405 195 W HN 0.520 nan 8.180 nan 0.000 0.478 196 A N 4.872 127.769 122.820 0.128 0.000 2.486 196 A HA 0.712 5.033 4.320 0.000 0.000 0.300 196 A C -2.464 175.141 177.584 0.034 0.000 1.048 196 A CA -0.580 51.558 52.037 0.169 0.000 0.696 196 A CB 0.881 19.973 19.000 0.153 0.000 1.278 196 A HN 0.792 nan 8.150 nan 0.000 0.405 197 W N 1.791 123.120 121.300 0.048 0.000 2.844 197 W HA 0.661 5.321 4.660 0.000 0.000 0.340 197 W C -1.083 175.584 176.519 0.247 0.000 1.093 197 W CA -0.490 56.902 57.345 0.079 0.000 1.212 197 W CB 1.943 31.501 29.460 0.164 0.000 1.422 197 W HN 0.986 nan 8.180 nan 0.000 0.515 198 C N 4.453 123.231 119.300 -0.871 0.000 2.880 198 C HA 0.805 5.265 4.460 0.000 0.000 0.320 198 C C 0.578 174.542 174.990 -1.709 0.000 1.176 198 C CA -0.199 58.217 59.018 -1.003 0.000 1.390 198 C CB 0.490 28.121 27.740 -0.182 0.000 1.846 198 C HN 0.992 nan 8.230 nan 0.000 0.478 199 G N 2.570 110.420 108.800 -1.582 0.000 2.483 199 G HA2 0.328 4.288 3.960 0.000 0.000 0.248 199 G HA3 0.328 4.288 3.960 0.000 0.000 0.248 199 G C 0.399 174.871 174.900 -0.713 0.000 1.248 199 G CA -0.070 44.464 45.100 -0.943 0.000 0.838 199 G HN 0.920 nan 8.290 nan 0.000 0.566 200 E N 0.418 120.201 120.200 -0.695 0.000 2.358 200 E HA -0.059 4.291 4.350 0.000 0.000 0.195 200 E C 1.051 177.301 176.600 -0.584 0.000 1.010 200 E CA 0.618 56.418 56.400 -1.000 0.000 0.856 200 E CB 0.263 29.534 29.700 -0.715 0.000 0.795 200 E HN 0.434 nan 8.360 nan 0.000 0.504 201 Q N 0.651 120.243 119.800 -0.347 0.000 2.225 201 Q HA 0.128 4.469 4.340 0.000 0.000 0.259 201 Q C -0.899 175.036 176.000 -0.109 0.000 0.872 201 Q CA 0.025 55.725 55.803 -0.171 0.000 1.042 201 Q CB 0.651 29.324 28.738 -0.107 0.000 1.142 201 Q HN 0.016 nan 8.270 nan 0.000 0.463 202 D N -0.626 119.675 120.400 -0.164 0.000 2.168 202 D HA 0.062 4.703 4.640 0.000 0.000 0.246 202 D C 0.606 176.841 176.300 -0.108 0.000 1.050 202 D CA -0.611 53.285 54.000 -0.174 0.000 0.857 202 D CB 0.853 41.504 40.800 -0.250 0.000 1.169 202 D HN 0.176 nan 8.370 nan 0.000 0.453 203 F N 1.879 121.810 119.950 -0.032 0.000 2.307 203 F HA -0.042 4.485 4.527 0.000 0.000 0.301 203 F C 1.561 177.299 175.800 -0.103 0.000 1.076 203 F CA 0.433 58.424 58.000 -0.016 0.000 1.383 203 F CB -0.457 38.571 39.000 0.048 0.000 1.055 203 F HN 0.204 nan 8.300 nan 0.000 0.526 204 L N -1.029 119.919 121.223 -0.458 0.000 2.592 204 L HA 0.017 4.357 4.340 0.000 0.000 0.227 204 L C 2.103 178.823 176.870 -0.251 0.000 1.127 204 L CA -0.128 54.412 54.840 -0.500 0.000 0.884 204 L CB -0.670 40.983 42.059 -0.677 0.000 1.065 204 L HN 0.141 nan 8.230 nan 0.000 0.457 205 Y N 1.645 121.783 120.300 -0.270 0.000 2.097 205 Y HA -0.281 4.269 4.550 0.000 0.000 0.282 205 Y C 2.484 178.276 175.900 -0.179 0.000 1.152 205 Y CA 1.715 59.681 58.100 -0.222 0.000 1.136 205 Y CB 0.127 38.464 38.460 -0.205 0.000 0.975 205 Y HN 0.153 nan 8.280 nan 0.000 0.498 206 E N 0.115 120.174 120.200 -0.234 0.000 2.150 206 E HA -0.150 4.200 4.350 0.000 0.000 0.193 206 E C 2.417 178.856 176.600 -0.268 0.000 0.985 206 E CA 1.016 57.236 56.400 -0.299 0.000 0.814 206 E CB -0.709 28.907 29.700 -0.140 0.000 0.752 206 E HN 0.557 nan 8.360 nan 0.000 0.466 207 A N 1.881 124.560 122.820 -0.236 0.000 1.908 207 A HA -0.210 4.110 4.320 0.000 0.000 0.218 207 A C 2.029 179.435 177.584 -0.297 0.000 1.181 207 A CA 1.462 53.345 52.037 -0.258 0.000 0.627 207 A CB -0.527 18.265 19.000 -0.347 0.000 0.818 207 A HN 0.198 nan 8.150 nan 0.000 0.445 208 N N 0.197 118.690 118.700 -0.345 0.000 2.084 208 N HA -0.154 4.586 4.740 0.000 0.000 0.190 208 N C 1.339 176.514 175.510 -0.558 0.000 1.030 208 N CA 1.453 54.250 53.050 -0.422 0.000 0.849 208 N CB -0.358 37.933 38.487 -0.326 0.000 1.012 208 N HN 0.457 nan 8.380 nan 0.000 0.423 209 N N 1.560 119.950 118.700 -0.516 0.000 2.104 209 N HA -0.151 4.590 4.740 0.000 0.000 0.190 209 N C 1.840 177.164 175.510 -0.309 0.000 1.024 209 N CA 0.625 53.408 53.050 -0.445 0.000 0.853 209 N CB -0.591 37.621 38.487 -0.458 0.000 1.008 209 N HN 0.209 nan 8.380 nan 0.000 0.424 210 L N 0.970 122.044 121.223 -0.249 0.000 2.005 210 L HA 0.043 4.383 4.340 0.000 0.000 0.207 210 L C 2.130 178.925 176.870 -0.125 0.000 1.072 210 L CA 1.633 56.383 54.840 -0.151 0.000 0.744 210 L CB -1.056 40.937 42.059 -0.109 0.000 0.895 210 L HN 0.129 nan 8.230 nan 0.000 0.433 211 A N -0.990 121.744 122.820 -0.143 0.000 1.883 211 A HA -0.164 4.156 4.320 0.000 0.000 0.217 211 A C 2.274 179.794 177.584 -0.107 0.000 1.186 211 A CA 2.137 54.123 52.037 -0.085 0.000 0.624 211 A CB -1.201 17.756 19.000 -0.073 0.000 0.822 211 A HN 0.323 nan 8.150 nan 0.000 0.444 212 V N 0.318 120.099 119.914 -0.222 0.000 2.295 212 V HA -0.297 3.824 4.120 0.000 0.000 0.246 212 V C 2.563 178.595 176.094 -0.103 0.000 1.049 212 V CA 2.461 64.635 62.300 -0.210 0.000 1.024 212 V CB -0.676 30.852 31.823 -0.491 0.000 0.648 212 V HN 0.713 nan 8.190 nan 0.000 0.447 213 K N 0.129 120.464 120.400 -0.108 0.000 2.032 213 K HA -0.246 4.075 4.320 0.000 0.000 0.209 213 K C 2.034 178.623 176.600 -0.018 0.000 1.048 213 K CA 2.050 58.309 56.287 -0.048 0.000 0.927 213 K CB -0.199 32.267 32.500 -0.056 0.000 0.712 213 K HN 0.429 nan 8.250 nan 0.000 0.441 214 N N 0.883 119.568 118.700 -0.025 0.000 2.142 214 N HA -0.123 4.617 4.740 0.000 0.000 0.186 214 N C 1.865 177.383 175.510 0.014 0.000 1.023 214 N CA 1.052 54.100 53.050 -0.002 0.000 0.852 214 N CB -0.227 38.258 38.487 -0.003 0.000 0.998 214 N HN 0.199 nan 8.380 nan 0.000 0.424 215 L N 0.935 122.151 121.223 -0.013 0.000 2.093 215 L HA -0.093 4.247 4.340 0.000 0.000 0.208 215 L C 2.111 179.072 176.870 0.152 0.000 1.085 215 L CA 1.079 55.909 54.840 -0.017 0.000 0.755 215 L CB -0.206 41.771 42.059 -0.137 0.000 0.904 215 L HN 0.122 nan 8.230 nan 0.000 0.435 216 K N 0.137 120.594 120.400 0.096 0.000 2.097 216 K HA -0.159 4.161 4.320 0.000 0.000 0.205 216 K C 2.100 178.758 176.600 0.097 0.000 1.050 216 K CA 1.107 57.459 56.287 0.107 0.000 0.938 216 K CB -0.042 32.498 32.500 0.068 0.000 0.718 216 K HN 0.221 nan 8.250 nan 0.000 0.442 217 K N 0.792 121.238 120.400 0.076 0.000 2.147 217 K HA -0.080 4.240 4.320 0.000 0.000 0.205 217 K C 1.734 178.383 176.600 0.083 0.000 1.049 217 K CA 0.948 57.272 56.287 0.062 0.000 0.936 217 K CB -0.017 32.508 32.500 0.042 0.000 0.722 217 K HN 0.116 nan 8.250 nan 0.000 0.446 218 L N -0.383 120.930 121.223 0.151 0.000 2.599 218 L HA 0.057 4.397 4.340 0.000 0.000 0.230 218 L C 0.997 177.950 176.870 0.137 0.000 1.141 218 L CA 0.363 55.324 54.840 0.201 0.000 0.877 218 L CB 0.092 42.368 42.059 0.361 0.000 1.009 218 L HN 0.464 nan 8.230 nan 0.000 0.447 219 G N -0.632 108.229 108.800 0.101 0.000 2.141 219 G HA2 -0.279 3.681 3.960 0.000 0.000 0.231 219 G HA3 -0.279 3.681 3.960 0.000 0.000 0.231 219 G C 0.143 174.959 174.900 -0.141 0.000 0.984 219 G CA -0.540 44.535 45.100 -0.042 0.000 0.660 219 G HN 0.159 nan 8.290 nan 0.000 0.525 220 F N 0.966 120.904 119.950 -0.020 0.000 2.450 220 F HA 0.412 4.939 4.527 0.000 0.000 0.339 220 F C 0.961 176.749 175.800 -0.021 0.000 1.146 220 F CA -0.112 57.869 58.000 -0.032 0.000 1.267 220 F CB 0.658 39.625 39.000 -0.055 0.000 1.178 220 F HN -0.005 nan 8.300 nan 0.000 0.585 221 D N 2.624 123.099 120.400 0.126 0.000 2.422 221 D HA 0.258 4.898 4.640 0.000 0.000 0.227 221 D C -1.126 175.239 176.300 0.109 0.000 1.190 221 D CA 0.099 54.151 54.000 0.087 0.000 0.905 221 D CB 0.347 41.176 40.800 0.049 0.000 1.034 221 D HN 0.141 nan 8.370 nan 0.000 0.507 222 V N 3.463 123.445 119.914 0.113 0.000 2.444 222 V HA 0.346 4.466 4.120 0.000 0.000 0.294 222 V C 0.398 176.569 176.094 0.128 0.000 1.022 222 V CA -0.789 61.580 62.300 0.115 0.000 0.850 222 V CB 1.948 33.830 31.823 0.099 0.000 0.992 222 V HN 0.384 nan 8.190 nan 0.000 0.426 223 T N 5.280 119.917 114.554 0.140 0.000 2.756 223 T HA 0.506 4.856 4.350 0.000 0.000 0.290 223 T C -1.143 173.578 174.700 0.034 0.000 0.985 223 T CA -0.148 62.003 62.100 0.085 0.000 0.955 223 T CB 0.438 69.360 68.868 0.091 0.000 0.930 223 T HN 0.550 nan 8.240 nan 0.000 0.451 224 Y N 3.438 123.677 120.300 -0.101 0.000 2.361 224 Y HA 0.585 5.135 4.550 0.000 0.000 0.337 224 Y C -0.333 175.509 175.900 -0.097 0.000 0.965 224 Y CA -1.455 56.578 58.100 -0.112 0.000 1.091 224 Y CB 1.337 39.786 38.460 -0.017 0.000 1.182 224 Y HN 0.650 nan 8.280 nan 0.000 0.450 225 S N 4.650 120.065 115.700 -0.475 0.000 2.568 225 S HA 0.870 5.340 4.470 0.000 0.000 0.293 225 S C -1.508 172.791 174.600 -0.501 0.000 1.089 225 S CA -0.646 57.295 58.200 -0.432 0.000 0.945 225 S CB 2.084 65.193 63.200 -0.151 0.000 1.077 225 S HN 0.940 nan 8.310 nan 0.000 0.485 226 H N -1.561 117.283 119.070 -0.378 0.000 3.064 226 H HA 0.843 5.399 4.556 0.000 0.000 0.352 226 H C -0.862 174.395 175.328 -0.118 0.000 1.260 226 H CA -0.573 55.202 56.048 -0.456 0.000 1.160 226 H CB 1.167 30.645 29.762 -0.474 0.000 1.879 226 H HN 0.968 nan 8.280 nan 0.000 0.544 227 S N 0.842 116.576 115.700 0.057 0.000 2.643 227 S HA 0.771 5.241 4.470 0.000 0.000 0.270 227 S C -0.557 174.062 174.600 0.032 0.000 1.166 227 S CA -0.887 57.384 58.200 0.119 0.000 0.815 227 S CB 0.856 64.223 63.200 0.278 0.000 1.139 227 S HN 1.329 nan 8.310 nan 0.000 0.472 228 A N -0.076 122.761 122.820 0.028 0.000 2.565 228 A HA 0.613 4.933 4.320 0.000 0.000 0.237 228 A C 0.884 178.440 177.584 -0.046 0.000 1.053 228 A CA 0.700 52.719 52.037 -0.029 0.000 0.755 228 A CB -1.000 18.012 19.000 0.019 0.000 0.980 228 A HN 2.294 nan 8.150 nan 0.000 0.506 229 G N 0.390 109.044 108.800 -0.243 0.000 2.340 229 G HA2 0.598 4.559 3.960 0.000 0.000 0.300 229 G HA3 0.598 4.559 3.960 0.000 0.000 0.300 229 G C -0.631 173.952 174.900 -0.529 0.000 1.488 229 G CA 0.131 44.804 45.100 -0.712 0.000 0.878 229 G HN 1.730 nan 8.290 nan 0.000 0.618 230 T N -2.730 111.463 114.554 -0.601 0.000 2.773 230 T HA 0.604 4.954 4.350 0.000 0.000 0.278 230 T C -0.330 174.338 174.700 -0.054 0.000 1.011 230 T CA -0.628 61.379 62.100 -0.154 0.000 1.014 230 T CB 1.901 70.789 68.868 0.033 0.000 1.293 230 T HN 0.757 nan 8.240 nan 0.000 0.554 231 H N 0.703 119.749 119.070 -0.040 0.000 2.855 231 H HA 0.492 5.049 4.556 0.000 0.000 0.238 231 H C -0.452 174.733 175.328 -0.239 0.000 1.847 231 H CA -0.009 56.055 56.048 0.026 0.000 1.368 231 H CB -0.502 29.310 29.762 0.084 0.000 1.758 231 H HN 0.503 nan 8.280 nan 0.000 0.546 232 E N 0.797 120.479 120.200 -0.864 0.000 2.383 232 E HA 0.023 4.373 4.350 0.000 0.000 0.275 232 E C -0.153 175.536 176.600 -1.519 0.000 0.918 232 E CA -0.831 55.019 56.400 -0.916 0.000 0.764 232 E CB 0.895 30.488 29.700 -0.178 0.000 1.252 232 E HN 0.489 nan 8.360 nan 0.000 0.449 233 W N 0.405 121.185 121.300 -0.866 0.000 2.350 233 W HA -0.230 4.431 4.660 0.001 0.000 0.289 233 W C 2.069 178.383 176.519 -0.342 0.000 1.215 233 W CA 1.043 58.130 57.345 -0.431 0.000 1.236 233 W CB -0.146 29.233 29.460 -0.134 0.000 1.130 233 W HN 0.754 nan 8.180 nan 0.000 0.541 234 Y N -0.414 119.743 120.300 -0.238 0.000 2.114 234 Y HA -0.402 4.148 4.550 0.000 0.000 0.282 234 Y C 2.079 177.708 175.900 -0.452 0.000 1.165 234 Y CA 2.128 60.016 58.100 -0.354 0.000 1.148 234 Y CB -1.056 37.090 38.460 -0.523 0.000 0.972 234 Y HN -0.004 nan 8.280 nan 0.000 0.504 235 Y N -1.665 118.433 120.300 -0.336 0.000 2.263 235 Y HA -0.224 4.327 4.550 0.000 0.000 0.292 235 Y C 2.181 177.809 175.900 -0.453 0.000 1.130 235 Y CA 1.317 59.139 58.100 -0.464 0.000 1.179 235 Y CB -0.914 37.380 38.460 -0.278 0.000 0.998 235 Y HN 0.199 nan 8.280 nan 0.000 0.532 236 W N 0.516 121.739 121.300 -0.129 0.000 2.388 236 W HA -0.125 4.535 4.660 -0.000 0.000 0.294 236 W C 2.377 178.740 176.519 -0.260 0.000 1.212 236 W CA 1.249 58.452 57.345 -0.236 0.000 1.271 236 W CB -1.183 28.105 29.460 -0.286 0.000 1.126 236 W HN 0.248 nan 8.180 nan 0.000 0.535 237 E N 0.793 121.027 120.200 0.057 0.000 2.077 237 E HA -0.203 4.147 4.350 0.000 0.000 0.193 237 E C 2.126 178.619 176.600 -0.179 0.000 0.989 237 E CA 1.361 57.784 56.400 0.037 0.000 0.800 237 E CB 0.058 29.765 29.700 0.012 0.000 0.746 237 E HN -0.175 nan 8.360 nan 0.000 0.452 238 K N 0.300 120.484 120.400 -0.361 0.000 2.057 238 K HA -0.121 4.200 4.320 0.000 0.000 0.207 238 K C 2.161 178.570 176.600 -0.319 0.000 1.049 238 K CA 1.086 57.144 56.287 -0.382 0.000 0.931 238 K CB -0.210 31.970 32.500 -0.535 0.000 0.714 238 K HN 0.245 nan 8.250 nan 0.000 0.440 239 Q N 0.372 119.923 119.800 -0.416 0.000 2.172 239 Q HA -0.058 4.282 4.340 0.000 0.000 0.200 239 Q C 2.145 177.870 176.000 -0.457 0.000 0.964 239 Q CA 0.502 56.098 55.803 -0.346 0.000 0.855 239 Q CB -0.404 28.179 28.738 -0.258 0.000 0.918 239 Q HN 0.175 nan 8.270 nan 0.000 0.444 240 L N 1.653 122.466 121.223 -0.683 0.000 2.042 240 L HA -0.180 4.160 4.340 0.000 0.000 0.210 240 L C 1.920 178.648 176.870 -0.236 0.000 1.076 240 L CA 1.834 56.441 54.840 -0.387 0.000 0.749 240 L CB -0.426 41.507 42.059 -0.210 0.000 0.893 240 L HN 0.147 nan 8.230 nan 0.000 0.432 241 E N -0.931 119.144 120.200 -0.209 0.000 2.070 241 E HA -0.237 4.113 4.350 0.000 0.000 0.197 241 E C 2.137 178.649 176.600 -0.147 0.000 1.004 241 E CA 1.771 58.069 56.400 -0.169 0.000 0.805 241 E CB -0.383 29.291 29.700 -0.044 0.000 0.744 241 E HN 0.438 nan 8.360 nan 0.000 0.451 242 V N 1.223 121.090 119.914 -0.079 0.000 2.255 242 V HA -0.264 3.856 4.120 0.000 0.000 0.247 242 V C 2.081 178.133 176.094 -0.069 0.000 1.051 242 V CA 1.889 64.203 62.300 0.023 0.000 1.018 242 V CB -0.599 31.341 31.823 0.195 0.000 0.641 242 V HN 0.225 nan 8.190 nan 0.000 0.445 243 F N 0.565 120.240 119.950 -0.458 0.000 2.120 243 F HA -0.205 4.322 4.527 0.000 0.000 0.300 243 F C 2.070 177.544 175.800 -0.543 0.000 1.095 243 F CA 1.558 59.115 58.000 -0.738 0.000 1.249 243 F CB -0.500 38.031 39.000 -0.782 0.000 0.995 243 F HN 0.031 nan 8.300 nan 0.000 0.480 244 L N -0.165 120.671 121.223 -0.645 0.000 2.127 244 L HA -0.238 4.102 4.340 0.000 0.000 0.211 244 L C 2.509 179.008 176.870 -0.618 0.000 1.089 244 L CA 1.847 56.154 54.840 -0.887 0.000 0.757 244 L CB -1.303 39.937 42.059 -1.365 0.000 0.899 244 L HN 0.341 nan 8.230 nan 0.000 0.434 245 T N -4.481 109.886 114.554 -0.310 0.000 3.007 245 T HA -0.142 4.208 4.350 0.000 0.000 0.270 245 T C 1.746 176.361 174.700 -0.143 0.000 1.107 245 T CA 1.324 63.401 62.100 -0.038 0.000 1.118 245 T CB -0.560 68.357 68.868 0.083 0.000 0.889 245 T HN 0.481 nan 8.240 nan 0.000 0.506 246 T N -0.304 114.074 114.554 -0.293 0.000 3.067 246 T HA 0.329 4.679 4.350 0.000 0.000 0.257 246 T C 0.737 175.149 174.700 -0.480 0.000 1.105 246 T CA -0.315 61.623 62.100 -0.269 0.000 1.104 246 T CB -0.550 68.222 68.868 -0.159 0.000 0.925 246 T HN 0.396 nan 8.240 nan 0.000 0.498 247 L N 2.472 123.253 121.223 -0.736 0.000 2.418 247 L HA 0.366 4.707 4.340 0.000 0.000 0.265 247 L C -1.773 174.786 176.870 -0.519 0.000 1.143 247 L CA -2.421 51.845 54.840 -0.957 0.000 0.809 247 L CB 0.493 41.769 42.059 -1.305 0.000 1.124 247 L HN -0.007 nan 8.230 nan 0.000 0.456 248 P HA 0.089 nan 4.420 nan 0.000 0.226 248 P C 0.227 177.495 177.300 -0.053 0.000 1.783 248 P CA 0.350 63.375 63.100 -0.125 0.000 0.980 248 P CB -0.403 31.300 31.700 0.004 0.000 1.967 249 I N -4.163 116.353 120.570 -0.090 0.000 4.390 249 I HA 0.307 4.477 4.170 0.000 0.000 0.334 249 I C -0.816 175.302 176.117 0.003 0.000 1.379 249 I CA -0.448 60.836 61.300 -0.026 0.000 1.197 249 I CB -0.175 37.799 38.000 -0.044 0.000 1.396 249 I HN -0.218 nan 8.210 nan 0.000 0.511 250 D N 1.716 122.113 120.400 -0.004 0.000 2.800 250 D HA -0.268 4.372 4.640 0.000 0.000 0.232 250 D C -0.169 176.143 176.300 0.021 0.000 1.137 250 D CA 0.897 54.897 54.000 0.001 0.000 0.718 250 D CB -1.583 39.212 40.800 -0.010 0.000 1.084 250 D HN 0.591 nan 8.370 nan 0.000 0.432 251 F N 1.254 121.139 119.950 -0.108 0.000 2.484 251 F HA 0.331 4.858 4.527 0.000 0.000 0.360 251 F C 0.446 176.197 175.800 -0.082 0.000 1.101 251 F CA 0.093 58.030 58.000 -0.105 0.000 1.251 251 F CB 0.609 39.521 39.000 -0.146 0.000 1.132 251 F HN -0.236 nan 8.300 nan 0.000 0.570 252 K N 6.904 126.728 120.400 -0.961 0.000 2.471 252 K HA 0.331 4.652 4.320 0.000 0.000 0.252 252 K C -1.487 174.483 176.600 -1.049 0.000 0.938 252 K CA -1.142 54.683 56.287 -0.771 0.000 0.796 252 K CB 2.381 34.657 32.500 -0.372 0.000 1.161 252 K HN 0.589 nan 8.250 nan 0.000 0.425 253 L N 3.572 124.371 121.223 -0.706 0.000 2.397 253 L HA 0.069 4.409 4.340 0.000 0.000 0.271 253 L C 0.472 177.202 176.870 -0.232 0.000 1.148 253 L CA 0.276 54.879 54.840 -0.396 0.000 0.825 253 L CB 0.479 42.471 42.059 -0.110 0.000 1.117 253 L HN 0.591 nan 8.230 nan 0.000 0.456 254 E N 3.417 123.531 120.200 -0.143 0.000 2.436 254 E HA -0.038 4.313 4.350 0.000 0.000 0.262 254 E C -0.416 176.143 176.600 -0.069 0.000 1.063 254 E CA -0.402 55.943 56.400 -0.091 0.000 0.944 254 E CB 0.298 29.970 29.700 -0.048 0.000 0.950 254 E HN 0.644 nan 8.360 nan 0.000 0.444 255 E N 1.805 121.971 120.200 -0.058 0.000 2.376 255 E HA -0.018 4.332 4.350 0.000 0.000 0.266 255 E C -0.646 175.936 176.600 -0.030 0.000 1.009 255 E CA -0.106 56.268 56.400 -0.043 0.000 0.902 255 E CB 0.531 30.208 29.700 -0.039 0.000 0.972 255 E HN 0.425 nan 8.360 nan 0.000 0.439 256 R N 5.083 125.569 120.500 -0.024 0.000 2.629 256 R HA 0.279 4.619 4.340 0.000 0.000 0.275 256 R C -0.404 175.889 176.300 -0.012 0.000 1.719 256 R CA -0.416 55.675 56.100 -0.015 0.000 1.472 256 R CB 0.599 30.892 30.300 -0.011 0.000 1.237 256 R HN 0.480 nan 8.270 nan 0.000 0.589 257 L N 0.000 121.216 121.223 -0.012 0.000 2.949 257 L HA 0.000 4.340 4.340 0.000 0.000 0.249 257 L CA 0.000 54.834 54.840 -0.010 0.000 0.813 257 L CB 0.000 42.052 42.059 -0.011 0.000 0.961 257 L HN 0.000 nan 8.230 nan 0.000 0.502