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 2vak_1_B DATA FIRST_RESID 5 DATA SEQUENCE SEFGSTMARA IYDFFSTPFG NRGLATNRTQ LSSLLSSSNS PWQXXXXXXX DATA SEQUENCE XXXXXXIVST PEAPYPGSLM YQESMLHSAT VPGVLGSRDA WRTFNVFGLS DATA SEQUENCE WTDEGLSGLV AAQDPPPAAP YQPASAQWSD LLNYPRWANR RRELQSKYPL DATA SEQUENCE LLRSTLLSAM RAGPVLYVET WPNMISGRLA DWFMSQYGNN FVDMCARLTQ DATA SEQUENCE SCSNMPVEPD GNYDQQMRAL ISLWLLSYIG VVNQTNTISG FYFSSKTRGQ DATA SEQUENCE ALDSWTLFYT TNTNRVQITQ RHFAYVCARS PDWNVDKSWI AAANLTAIVM DATA SEQUENCE ACRQPPVFAN QGVINQAQNR PGFSMNGGTP VHELNLLTTA QECIRQWVMA DATA SEQUENCE GLVSAAKGQA LTQEANDFSN LIQADLGQIK AQDDALYNQQ PGYARRIKPF DATA SEQUENCE VNGDWTPGMT AQALAVLATF TA 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.477 174.600 -0.205 0.000 1.055 5 S CA 0.000 58.126 58.200 -0.124 0.000 1.107 5 S CB 0.000 63.133 63.200 -0.112 0.000 0.593 6 E N -1.177 118.838 120.200 -0.309 0.000 3.001 6 E HA 0.247 4.597 4.350 -0.000 0.000 0.211 6 E C 0.673 176.925 176.600 -0.580 0.000 1.026 6 E CA 0.248 56.319 56.400 -0.548 0.000 1.614 6 E CB 0.060 29.216 29.700 -0.907 0.000 1.672 6 E HN 0.503 nan 8.360 nan 0.000 0.869 7 F N 0.857 120.747 119.950 -0.099 0.000 2.582 7 F HA 0.369 4.895 4.527 -0.000 0.000 0.290 7 F C 1.360 177.067 175.800 -0.155 0.000 1.115 7 F CA 0.724 58.653 58.000 -0.118 0.000 1.445 7 F CB 0.523 39.462 39.000 -0.102 0.000 1.126 7 F HN 0.216 nan 8.300 nan 0.000 0.574 8 G N 0.125 108.922 108.800 -0.005 0.000 2.660 8 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.215 8 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.215 8 G C -0.434 174.416 174.900 -0.082 0.000 1.345 8 G CA -0.582 44.462 45.100 -0.093 0.000 0.877 8 G HN 0.179 nan 8.290 nan 0.000 0.549 9 S N 0.551 116.175 115.700 -0.126 0.000 2.416 9 S HA 0.459 4.929 4.470 -0.000 0.000 0.302 9 S C 1.347 175.889 174.600 -0.096 0.000 1.120 9 S CA 0.572 58.705 58.200 -0.112 0.000 1.067 9 S CB 0.912 64.042 63.200 -0.117 0.000 1.057 9 S HN 1.581 nan 8.310 nan 0.000 0.518 10 T N -0.735 113.768 114.554 -0.085 0.000 2.985 10 T HA 0.279 4.629 4.350 -0.000 0.000 0.254 10 T C 0.529 175.178 174.700 -0.085 0.000 1.021 10 T CA -0.237 61.809 62.100 -0.089 0.000 0.957 10 T CB -0.198 68.616 68.868 -0.090 0.000 1.047 10 T HN 0.446 nan 8.240 nan 0.000 0.511 11 M N 2.532 122.083 119.600 -0.082 0.000 2.219 11 M HA 0.541 5.021 4.480 -0.000 0.000 0.353 11 M C 0.751 177.006 176.300 -0.075 0.000 1.304 11 M CA -0.608 54.647 55.300 -0.076 0.000 1.115 11 M CB 0.657 33.213 32.600 -0.074 0.000 1.664 11 M HN 0.278 nan 8.290 nan 0.000 0.459 12 A N 3.104 125.884 122.820 -0.067 0.000 2.429 12 A HA 0.298 4.618 4.320 -0.000 0.000 0.242 12 A C 0.194 177.728 177.584 -0.083 0.000 1.088 12 A CA -0.242 51.758 52.037 -0.062 0.000 0.784 12 A CB 0.241 19.217 19.000 -0.040 0.000 1.038 12 A HN 0.871 nan 8.150 nan 0.000 0.501 13 R N -0.025 120.410 120.500 -0.109 0.000 2.539 13 R HA 0.496 4.836 4.340 -0.000 0.000 0.275 13 R C 0.266 176.427 176.300 -0.232 0.000 1.077 13 R CA 1.030 56.988 56.100 -0.236 0.000 1.097 13 R CB 0.645 30.723 30.300 -0.369 0.000 1.018 13 R HN 0.991 nan 8.270 nan 0.000 0.483 14 A N 4.211 126.849 122.820 -0.302 0.000 2.680 14 A HA 0.298 4.618 4.320 -0.000 0.000 0.183 14 A C -0.283 177.231 177.584 -0.117 0.000 1.506 14 A CA -0.359 51.614 52.037 -0.107 0.000 1.119 14 A CB 0.090 19.063 19.000 -0.045 0.000 1.424 14 A HN 0.532 nan 8.150 nan 0.000 0.540 15 I N 1.244 121.650 120.570 -0.272 0.000 2.354 15 I HA 0.320 4.490 4.170 -0.000 0.000 0.286 15 I C -1.230 174.675 176.117 -0.353 0.000 1.007 15 I CA -0.612 60.585 61.300 -0.172 0.000 1.167 15 I CB 1.030 38.979 38.000 -0.085 0.000 1.320 15 I HN 0.229 nan 8.210 nan 0.000 0.458 16 Y N 4.337 124.544 120.300 -0.155 0.000 2.880 16 Y HA 0.293 4.843 4.550 -0.000 0.000 0.329 16 Y C 0.118 176.061 175.900 0.071 0.000 1.156 16 Y CA -0.729 57.176 58.100 -0.325 0.000 1.348 16 Y CB 0.079 38.206 38.460 -0.554 0.000 1.280 16 Y HN 0.460 nan 8.280 nan 0.000 0.516 17 D N 1.857 122.469 120.400 0.354 0.000 2.253 17 D HA 0.237 4.877 4.640 -0.000 0.000 0.249 17 D C -1.032 175.672 176.300 0.674 0.000 1.049 17 D CA -0.229 54.054 54.000 0.473 0.000 0.929 17 D CB 1.624 42.624 40.800 0.333 0.000 1.176 17 D HN 0.277 nan 8.370 nan 0.000 0.437 18 F N 2.104 122.344 119.950 0.483 0.000 2.520 18 F HA 0.492 5.019 4.527 -0.000 0.000 0.322 18 F C -1.678 174.239 175.800 0.195 0.000 1.103 18 F CA -1.127 57.063 58.000 0.317 0.000 0.926 18 F CB 1.127 40.279 39.000 0.254 0.000 1.154 18 F HN 0.088 nan 8.300 nan 0.000 0.453 19 F N 5.273 124.533 119.950 -1.150 0.000 2.444 19 F HA 0.535 5.062 4.527 -0.000 0.000 0.342 19 F C -0.326 174.696 175.800 -1.295 0.000 1.121 19 F CA -0.756 56.415 58.000 -1.381 0.000 0.997 19 F CB 1.347 39.302 39.000 -1.741 0.000 1.130 19 F HN 0.520 nan 8.300 nan 0.000 0.454 20 S N 3.463 118.394 115.700 -1.282 0.000 2.562 20 S HA 0.400 4.870 4.470 -0.000 0.000 0.275 20 S C -0.112 174.077 174.600 -0.685 0.000 1.281 20 S CA -0.669 57.131 58.200 -0.665 0.000 1.045 20 S CB 0.811 63.955 63.200 -0.094 0.000 0.962 20 S HN 0.687 nan 8.310 nan 0.000 0.503 21 T N 5.280 119.679 114.554 -0.259 0.000 2.891 21 T HA 0.182 4.532 4.350 -0.000 0.000 0.296 21 T C -2.297 172.319 174.700 -0.139 0.000 1.025 21 T CA -0.156 61.867 62.100 -0.128 0.000 1.149 21 T CB -0.353 68.518 68.868 0.005 0.000 1.007 21 T HN 0.586 nan 8.240 nan 0.000 0.528 22 P HA 0.476 nan 4.420 nan 0.000 0.274 22 P C -0.697 176.619 177.300 0.027 0.000 1.231 22 P CA -0.447 62.548 63.100 -0.176 0.000 0.790 22 P CB 0.375 32.020 31.700 -0.091 0.000 0.951 23 F N -1.686 118.261 119.950 -0.006 0.000 2.711 23 F HA 0.804 5.331 4.527 -0.000 0.000 0.313 23 F C 0.114 175.957 175.800 0.072 0.000 1.141 23 F CA -1.053 56.960 58.000 0.022 0.000 0.941 23 F CB 0.501 39.543 39.000 0.071 0.000 1.349 23 F HN 0.418 nan 8.300 nan 0.000 0.464 24 G N 0.184 109.286 108.800 0.503 0.000 2.695 24 G HA2 0.177 4.137 3.960 -0.000 0.000 0.213 24 G HA3 0.177 4.137 3.960 -0.000 0.000 0.213 24 G C -0.120 175.063 174.900 0.472 0.000 1.406 24 G CA -0.712 44.638 45.100 0.418 0.000 1.049 24 G HN 0.643 nan 8.290 nan 0.000 0.573 25 N N 0.116 119.017 118.700 0.334 0.000 2.573 25 N HA -0.027 4.712 4.740 -0.000 0.000 0.187 25 N C 1.169 176.743 175.510 0.107 0.000 1.107 25 N CA 0.418 53.579 53.050 0.185 0.000 0.918 25 N CB 0.170 38.720 38.487 0.106 0.000 0.966 25 N HN 0.271 nan 8.380 nan 0.000 0.448 26 R N 0.099 120.642 120.500 0.072 0.000 2.629 26 R HA 0.312 4.652 4.340 -0.000 0.000 0.386 26 R C 0.722 176.988 176.300 -0.057 0.000 1.071 26 R CA -0.056 55.968 56.100 -0.128 0.000 1.104 26 R CB 0.344 30.339 30.300 -0.509 0.000 1.370 26 R HN 0.067 nan 8.270 nan 0.000 0.574 27 G N 1.431 110.254 108.800 0.038 0.000 2.760 27 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.246 27 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.246 27 G C -0.655 173.784 174.900 -0.769 0.000 1.359 27 G CA -0.699 44.149 45.100 -0.420 0.000 0.861 27 G HN 0.226 nan 8.290 nan 0.000 0.541 28 L N 0.844 121.274 121.223 -1.322 0.000 2.513 28 L HA 0.528 4.868 4.340 -0.000 0.000 0.272 28 L C 1.528 178.302 176.870 -0.160 0.000 1.187 28 L CA 1.112 55.534 54.840 -0.697 0.000 0.895 28 L CB 0.504 42.328 42.059 -0.393 0.000 1.147 28 L HN 1.723 nan 8.230 nan 0.000 0.483 29 A N 4.255 127.082 122.820 0.012 0.000 3.077 29 A HA 0.446 4.765 4.320 -0.000 0.000 0.255 29 A C 0.443 177.980 177.584 -0.078 0.000 1.728 29 A CA 0.296 52.417 52.037 0.140 0.000 1.383 29 A CB -0.730 18.374 19.000 0.173 0.000 1.097 29 A HN 0.800 nan 8.150 nan 0.000 0.634 30 T N -0.031 114.378 114.554 -0.242 0.000 2.696 30 T HA 0.657 5.007 4.350 -0.000 0.000 0.291 30 T C -1.227 173.085 174.700 -0.647 0.000 1.095 30 T CA -0.211 61.630 62.100 -0.432 0.000 1.026 30 T CB 1.097 69.678 68.868 -0.477 0.000 1.390 30 T HN 0.823 nan 8.240 nan 0.000 0.513 31 N N -0.609 117.657 118.700 -0.723 0.000 3.116 31 N HA 0.327 5.067 4.740 -0.000 0.000 0.244 31 N C 0.304 175.531 175.510 -0.472 0.000 1.485 31 N CA -0.910 51.743 53.050 -0.662 0.000 0.884 31 N CB 0.753 39.071 38.487 -0.282 0.000 1.415 31 N HN 0.554 nan 8.380 nan 0.000 0.524 32 R N -0.672 119.701 120.500 -0.211 0.000 2.103 32 R HA -0.123 4.216 4.340 -0.000 0.000 0.242 32 R C 0.763 176.991 176.300 -0.120 0.000 1.142 32 R CA 2.666 58.712 56.100 -0.091 0.000 0.960 32 R CB -0.747 29.553 30.300 -0.000 0.000 0.858 32 R HN 0.748 nan 8.270 nan 0.000 0.439 33 T N 0.417 114.898 114.554 -0.121 0.000 2.708 33 T HA -0.221 4.129 4.350 -0.000 0.000 0.266 33 T C 1.715 176.337 174.700 -0.130 0.000 1.037 33 T CA 1.520 63.555 62.100 -0.108 0.000 1.146 33 T CB -0.258 68.554 68.868 -0.092 0.000 0.865 33 T HN 0.401 nan 8.240 nan 0.000 0.435 34 Q N 0.304 119.999 119.800 -0.176 0.000 2.084 34 Q HA -0.066 4.274 4.340 -0.000 0.000 0.202 34 Q C 2.350 178.246 176.000 -0.174 0.000 0.978 34 Q CA 1.183 56.879 55.803 -0.179 0.000 0.844 34 Q CB -0.265 28.338 28.738 -0.225 0.000 0.898 34 Q HN 0.503 nan 8.270 nan 0.000 0.426 35 L N -0.102 120.997 121.223 -0.206 0.000 2.017 35 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 35 L C 2.570 179.355 176.870 -0.143 0.000 1.073 35 L CA 1.099 55.828 54.840 -0.184 0.000 0.745 35 L CB -0.471 41.474 42.059 -0.191 0.000 0.894 35 L HN 0.167 nan 8.230 nan 0.000 0.432 36 S N 0.063 115.690 115.700 -0.122 0.000 2.374 36 S HA -0.220 4.250 4.470 -0.000 0.000 0.227 36 S C 2.163 176.711 174.600 -0.086 0.000 1.037 36 S CA 1.732 59.873 58.200 -0.097 0.000 1.024 36 S CB -0.396 62.757 63.200 -0.080 0.000 0.861 36 S HN 0.645 nan 8.310 nan 0.000 0.456 37 S N 1.545 117.193 115.700 -0.086 0.000 2.442 37 S HA 0.016 4.486 4.470 -0.000 0.000 0.236 37 S C 1.624 176.184 174.600 -0.067 0.000 1.007 37 S CA 0.749 58.907 58.200 -0.070 0.000 0.965 37 S CB -0.584 62.574 63.200 -0.069 0.000 0.773 37 S HN 0.479 nan 8.310 nan 0.000 0.504 38 L N 0.184 121.355 121.223 -0.086 0.000 2.341 38 L HA 0.305 4.645 4.340 -0.000 0.000 0.214 38 L C 0.641 177.464 176.870 -0.077 0.000 1.115 38 L CA 0.166 54.956 54.840 -0.083 0.000 0.820 38 L CB -0.320 41.670 42.059 -0.114 0.000 0.944 38 L HN 0.268 nan 8.230 nan 0.000 0.452 39 L N 0.529 121.702 121.223 -0.084 0.000 2.331 39 L HA 0.134 4.474 4.340 -0.000 0.000 0.278 39 L C 1.056 177.898 176.870 -0.047 0.000 1.106 39 L CA -0.340 54.452 54.840 -0.081 0.000 0.824 39 L CB 1.136 43.137 42.059 -0.096 0.000 1.142 39 L HN 0.159 nan 8.230 nan 0.000 0.443 40 S N 1.716 117.397 115.700 -0.032 0.000 2.580 40 S HA -0.006 4.463 4.470 -0.000 0.000 0.261 40 S C 1.316 175.913 174.600 -0.005 0.000 1.366 40 S CA -0.042 58.154 58.200 -0.007 0.000 0.996 40 S CB 0.871 64.079 63.200 0.014 0.000 0.902 40 S HN 0.673 nan 8.310 nan 0.000 0.566 41 S N 1.712 117.414 115.700 0.004 0.000 2.372 41 S HA -0.146 4.324 4.470 -0.000 0.000 0.227 41 S C 1.690 176.296 174.600 0.010 0.000 1.044 41 S CA 1.545 59.748 58.200 0.006 0.000 1.050 41 S CB -1.086 62.120 63.200 0.011 0.000 0.901 41 S HN 1.064 nan 8.310 nan 0.000 0.447 42 S N 1.980 117.691 115.700 0.019 0.000 2.768 42 S HA 0.182 4.652 4.470 -0.000 0.000 0.246 42 S C 0.225 174.841 174.600 0.028 0.000 1.006 42 S CA -0.064 58.152 58.200 0.028 0.000 1.075 42 S CB -1.161 62.063 63.200 0.040 0.000 0.786 42 S HN 0.602 nan 8.310 nan 0.000 0.468 43 N N 0.211 118.915 118.700 0.006 0.000 2.708 43 N HA -0.218 4.522 4.740 -0.000 0.000 0.251 43 N C -0.294 175.204 175.510 -0.020 0.000 1.017 43 N CA 0.979 54.018 53.050 -0.018 0.000 0.742 43 N CB -2.364 36.106 38.487 -0.028 0.000 0.943 43 N HN 0.525 nan 8.380 nan 0.000 0.539 44 S N -0.256 115.444 115.700 0.001 0.000 2.475 44 S HA 0.472 4.941 4.470 -0.000 0.000 0.281 44 S C -1.215 173.304 174.600 -0.136 0.000 1.198 44 S CA -1.491 56.706 58.200 -0.005 0.000 1.063 44 S CB 1.123 64.396 63.200 0.123 0.000 0.972 44 S HN 0.157 nan 8.310 nan 0.000 0.486 45 P HA 0.088 nan 4.420 nan 0.000 0.233 45 P C 0.286 177.386 177.300 -0.334 0.000 1.167 45 P CA 0.575 63.404 63.100 -0.452 0.000 0.770 45 P CB -0.122 31.175 31.700 -0.671 0.000 0.837 46 W N -0.233 121.159 121.300 0.153 0.000 3.003 46 W HA 0.229 4.889 4.660 -0.000 0.000 0.257 46 W C 1.401 177.968 176.519 0.080 0.000 1.308 46 W CA -0.547 56.867 57.345 0.115 0.000 1.529 46 W CB -0.658 28.859 29.460 0.095 0.000 1.115 46 W HN -0.033 nan 8.180 nan 0.000 0.659 62 V N 1.346 121.267 119.914 0.011 0.000 2.085 62 V HA 0.220 4.340 4.120 -0.000 0.000 0.282 62 V C 0.967 177.055 176.094 -0.011 0.000 1.787 62 V CA 0.060 62.360 62.300 0.000 0.000 1.715 62 V CB -1.627 30.199 31.823 0.005 0.000 1.501 62 V HN 0.653 nan 8.190 nan 0.000 0.506 63 S N 1.165 116.847 115.700 -0.029 0.000 2.641 63 S HA 0.597 5.067 4.470 -0.000 0.000 0.261 63 S C 0.400 174.965 174.600 -0.058 0.000 1.257 63 S CA -0.208 57.957 58.200 -0.058 0.000 0.983 63 S CB 1.377 64.504 63.200 -0.123 0.000 0.990 63 S HN 0.752 nan 8.310 nan 0.000 0.572 64 T N 1.031 115.542 114.554 -0.071 0.000 2.932 64 T HA 0.403 4.753 4.350 -0.000 0.000 0.318 64 T C -2.294 172.370 174.700 -0.061 0.000 1.265 64 T CA -1.221 60.847 62.100 -0.053 0.000 1.036 64 T CB 1.558 70.404 68.868 -0.037 0.000 1.209 64 T HN 0.187 nan 8.240 nan 0.000 0.484 65 P HA -0.081 nan 4.420 nan 0.000 0.219 65 P C 1.205 178.489 177.300 -0.026 0.000 1.146 65 P CA 0.851 63.929 63.100 -0.037 0.000 0.808 65 P CB 0.280 31.967 31.700 -0.021 0.000 0.779 66 E N -0.496 119.685 120.200 -0.031 0.000 2.385 66 E HA 0.111 4.461 4.350 -0.000 0.000 0.194 66 E C 0.668 177.252 176.600 -0.026 0.000 1.013 66 E CA 0.409 56.788 56.400 -0.034 0.000 0.866 66 E CB -0.135 29.534 29.700 -0.052 0.000 0.832 66 E HN 0.094 nan 8.360 nan 0.000 0.500 67 A N 2.623 125.427 122.820 -0.026 0.000 3.159 67 A HA 0.398 4.718 4.320 -0.000 0.000 0.330 67 A C -2.062 175.496 177.584 -0.044 0.000 1.032 67 A CA -1.247 50.785 52.037 -0.008 0.000 0.841 67 A CB 0.849 19.848 19.000 -0.001 0.000 1.093 67 A HN -0.094 nan 8.150 nan 0.000 0.478 68 P HA -0.048 nan 4.420 nan 0.000 0.223 68 P C -0.286 176.671 177.300 -0.573 0.000 1.151 68 P CA 1.347 64.259 63.100 -0.314 0.000 0.787 68 P CB -0.032 31.462 31.700 -0.342 0.000 0.788 69 Y N -2.370 117.923 120.300 -0.013 0.000 2.602 69 Y HA 0.351 4.901 4.550 -0.000 0.000 0.342 69 Y C -1.471 174.426 175.900 -0.005 0.000 1.029 69 Y CA -2.595 55.489 58.100 -0.026 0.000 1.080 69 Y CB 0.451 38.856 38.460 -0.093 0.000 1.284 69 Y HN -0.352 nan 8.280 nan 0.000 0.485 70 P HA -0.162 nan 4.420 nan 0.000 0.215 70 P C 1.351 178.750 177.300 0.165 0.000 1.157 70 P CA 2.276 65.470 63.100 0.157 0.000 0.874 70 P CB 0.052 31.856 31.700 0.174 0.000 0.790 71 G N -1.386 107.469 108.800 0.091 0.000 2.679 71 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.212 71 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.212 71 G C 1.600 176.565 174.900 0.108 0.000 1.137 71 G CA 0.315 45.448 45.100 0.054 0.000 0.787 71 G HN 0.183 nan 8.290 nan 0.000 0.534 72 S N 0.221 115.991 115.700 0.116 0.000 2.356 72 S HA -0.032 4.437 4.470 -0.000 0.000 0.223 72 S C 2.322 177.029 174.600 0.179 0.000 1.032 72 S CA 0.720 59.014 58.200 0.156 0.000 1.005 72 S CB -0.188 63.089 63.200 0.128 0.000 0.867 72 S HN 0.368 nan 8.310 nan 0.000 0.449 73 L N 0.928 122.235 121.223 0.140 0.000 2.017 73 L HA -0.148 4.191 4.340 -0.000 0.000 0.208 73 L C 2.628 179.574 176.870 0.127 0.000 1.073 73 L CA 1.162 56.064 54.840 0.103 0.000 0.745 73 L CB -0.539 41.570 42.059 0.082 0.000 0.894 73 L HN 0.335 nan 8.230 nan 0.000 0.432 74 M N -1.325 118.399 119.600 0.208 0.000 2.088 74 M HA -0.327 4.152 4.480 -0.000 0.000 0.256 74 M C 2.499 178.942 176.300 0.238 0.000 1.071 74 M CA 2.245 57.690 55.300 0.242 0.000 1.097 74 M CB -0.645 32.174 32.600 0.364 0.000 1.315 74 M HN 0.231 nan 8.290 nan 0.000 0.406 75 Y N 1.005 121.410 120.300 0.175 0.000 2.145 75 Y HA -0.252 4.297 4.550 -0.000 0.000 0.286 75 Y C 2.328 178.253 175.900 0.042 0.000 1.145 75 Y CA 1.912 60.090 58.100 0.129 0.000 1.148 75 Y CB -0.531 38.024 38.460 0.158 0.000 0.981 75 Y HN 0.297 nan 8.280 nan 0.000 0.507 76 Q N -0.181 119.580 119.800 -0.065 0.000 2.167 76 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 76 Q C 2.025 177.877 176.000 -0.248 0.000 0.970 76 Q CA 1.746 57.423 55.803 -0.211 0.000 0.855 76 Q CB -0.132 28.555 28.738 -0.086 0.000 0.911 76 Q HN 0.619 nan 8.270 nan 0.000 0.438 77 E N 0.398 120.480 120.200 -0.196 0.000 2.106 77 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 77 E C 2.162 178.440 176.600 -0.537 0.000 0.984 77 E CA 1.194 57.382 56.400 -0.354 0.000 0.806 77 E CB -0.043 29.519 29.700 -0.232 0.000 0.750 77 E HN 0.298 nan 8.360 nan 0.000 0.458 78 S N 0.734 116.286 115.700 -0.247 0.000 2.387 78 S HA -0.219 4.251 4.470 -0.000 0.000 0.230 78 S C 2.021 176.560 174.600 -0.102 0.000 1.035 78 S CA 1.185 59.334 58.200 -0.085 0.000 1.014 78 S CB -0.200 62.985 63.200 -0.024 0.000 0.836 78 S HN 0.176 nan 8.310 nan 0.000 0.466 79 M N -0.006 119.439 119.600 -0.259 0.000 2.236 79 M HA 0.116 4.596 4.480 -0.000 0.000 0.266 79 M C 2.223 178.474 176.300 -0.082 0.000 1.070 79 M CA 0.838 56.029 55.300 -0.183 0.000 1.137 79 M CB -0.523 31.881 32.600 -0.327 0.000 1.378 79 M HN 0.406 nan 8.290 nan 0.000 0.426 80 L N 0.679 121.791 121.223 -0.185 0.000 1.956 80 L HA -0.255 4.085 4.340 -0.000 0.000 0.216 80 L C 2.134 179.026 176.870 0.036 0.000 1.073 80 L CA 2.254 57.012 54.840 -0.137 0.000 0.762 80 L CB -1.129 40.772 42.059 -0.263 0.000 0.889 80 L HN 0.327 nan 8.230 nan 0.000 0.433 81 H N -1.222 117.904 119.070 0.094 0.000 2.357 81 H HA -0.156 4.400 4.556 -0.000 0.000 0.296 81 H C 2.144 177.551 175.328 0.132 0.000 1.108 81 H CA 1.318 57.440 56.048 0.124 0.000 1.273 81 H CB -0.266 29.640 29.762 0.240 0.000 1.367 81 H HN 0.437 nan 8.280 nan 0.000 0.498 82 S N 0.418 116.383 115.700 0.440 0.000 2.423 82 S HA -0.091 4.379 4.470 -0.000 0.000 0.231 82 S C 2.379 177.224 174.600 0.408 0.000 1.014 82 S CA 0.657 59.138 58.200 0.469 0.000 0.965 82 S CB -0.062 63.369 63.200 0.386 0.000 0.785 82 S HN 0.544 nan 8.310 nan 0.000 0.495 83 A N 1.834 124.871 122.820 0.362 0.000 1.898 83 A HA -0.025 4.295 4.320 -0.000 0.000 0.214 83 A C 2.415 180.321 177.584 0.536 0.000 1.183 83 A CA 1.720 54.031 52.037 0.457 0.000 0.622 83 A CB -0.924 18.333 19.000 0.429 0.000 0.824 83 A HN 0.599 nan 8.150 nan 0.000 0.444 84 T N -4.022 110.771 114.554 0.399 0.000 3.039 84 T HA 0.123 4.472 4.350 -0.000 0.000 0.250 84 T C 1.608 176.545 174.700 0.396 0.000 1.052 84 T CA 1.047 63.432 62.100 0.476 0.000 1.125 84 T CB -0.113 68.913 68.868 0.264 0.000 0.908 84 T HN 0.008 nan 8.240 nan 0.000 0.473 85 V N 2.400 122.428 119.914 0.190 0.000 2.374 85 V HA 0.104 4.224 4.120 -0.000 0.000 0.241 85 V C -0.564 175.387 176.094 -0.238 0.000 1.034 85 V CA 0.749 63.009 62.300 -0.066 0.000 1.037 85 V CB -1.118 30.638 31.823 -0.112 0.000 0.682 85 V HN 0.316 nan 8.190 nan 0.000 0.463 86 P HA -0.068 nan 4.420 nan 0.000 0.220 86 P C 1.493 178.698 177.300 -0.157 0.000 1.148 86 P CA 1.598 64.680 63.100 -0.030 0.000 0.803 86 P CB -0.219 31.609 31.700 0.213 0.000 0.782 87 G N -0.900 107.606 108.800 -0.490 0.000 2.813 87 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.209 87 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.209 87 G C 1.209 175.661 174.900 -0.746 0.000 1.150 87 G CA 0.177 44.723 45.100 -0.924 0.000 0.785 87 G HN 0.291 nan 8.290 nan 0.000 0.535 88 V N 0.305 119.751 119.914 -0.780 0.000 3.528 88 V HA 0.308 4.427 4.120 -0.000 0.000 0.294 88 V C 2.029 177.894 176.094 -0.381 0.000 1.404 88 V CA 0.106 62.004 62.300 -0.670 0.000 1.065 88 V CB 0.109 31.385 31.823 -0.911 0.000 0.904 88 V HN 0.328 nan 8.190 nan 0.000 0.435 89 L N 0.313 121.355 121.223 -0.302 0.000 2.478 89 L HA 0.155 4.495 4.340 -0.000 0.000 0.223 89 L C 2.373 179.277 176.870 0.057 0.000 1.140 89 L CA 1.174 55.963 54.840 -0.085 0.000 0.842 89 L CB -0.715 41.320 42.059 -0.041 0.000 0.953 89 L HN 0.432 nan 8.230 nan 0.000 0.452 90 G N -0.431 108.374 108.800 0.008 0.000 2.708 90 G HA2 0.257 4.217 3.960 -0.000 0.000 0.210 90 G HA3 0.257 4.217 3.960 -0.000 0.000 0.210 90 G C 0.558 175.478 174.900 0.033 0.000 1.141 90 G CA 0.870 45.989 45.100 0.033 0.000 0.788 90 G HN 0.518 nan 8.290 nan 0.000 0.531 91 S N -1.194 114.529 115.700 0.038 0.000 2.707 91 S HA 0.466 4.936 4.470 -0.000 0.000 0.270 91 S C 0.628 175.226 174.600 -0.003 0.000 1.031 91 S CA 0.038 58.241 58.200 0.005 0.000 0.866 91 S CB 0.070 nan 63.200 nan 0.000 1.114 91 S HN 0.367 nan 8.310 nan 0.000 0.465 92 R N -0.575 119.883 120.500 -0.070 0.000 2.310 92 R HA 0.291 4.631 4.340 -0.000 0.000 0.202 92 R C -0.633 175.727 176.300 0.101 0.000 0.933 92 R CA 0.758 56.790 56.100 -0.113 0.000 1.054 92 R CB -0.009 30.153 30.300 -0.231 0.000 0.985 92 R HN 0.430 nan 8.270 nan 0.000 0.489 93 D N 0.559 121.014 120.400 0.091 0.000 2.431 93 D HA 0.197 4.837 4.640 -0.000 0.000 0.213 93 D C 1.155 177.439 176.300 -0.027 0.000 1.130 93 D CA 0.298 54.340 54.000 0.070 0.000 0.834 93 D CB 1.138 41.933 40.800 -0.008 0.000 0.985 93 D HN 0.355 nan 8.370 nan 0.000 0.504 94 A N 1.260 124.124 122.820 0.073 0.000 2.015 94 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 94 A C 2.053 179.697 177.584 0.100 0.000 1.163 94 A CA 0.604 52.671 52.037 0.049 0.000 0.646 94 A CB -0.993 18.024 19.000 0.029 0.000 0.806 94 A HN 0.515 nan 8.150 nan 0.000 0.448 95 W N 1.096 122.430 121.300 0.058 0.000 2.342 95 W HA -0.222 4.438 4.660 -0.000 0.000 0.297 95 W C 1.671 178.315 176.519 0.209 0.000 1.213 95 W CA 1.052 58.492 57.345 0.158 0.000 1.251 95 W CB -0.886 28.623 29.460 0.082 0.000 1.136 95 W HN 0.291 nan 8.180 nan 0.000 0.526 96 R N 0.849 120.686 120.500 -1.105 0.000 2.154 96 R HA -0.210 4.130 4.340 -0.000 0.000 0.236 96 R C 2.448 178.518 176.300 -0.384 0.000 1.121 96 R CA 3.526 58.940 56.100 -1.143 0.000 0.915 96 R CB -1.422 28.345 30.300 -0.887 0.000 0.856 96 R HN 0.370 nan 8.270 nan 0.000 0.431 97 T N -2.298 112.142 114.554 -0.191 0.000 3.060 97 T HA 0.054 4.403 4.350 -0.000 0.000 0.249 97 T C 0.507 175.224 174.700 0.027 0.000 1.079 97 T CA -0.480 61.578 62.100 -0.071 0.000 1.013 97 T CB -0.147 68.679 68.868 -0.069 0.000 0.975 97 T HN 0.141 nan 8.240 nan 0.000 0.518 98 F N 4.544 124.486 119.950 -0.014 0.000 2.602 98 F HA 0.327 4.854 4.527 -0.000 0.000 0.385 98 F C 0.117 175.941 175.800 0.041 0.000 1.063 98 F CA -0.727 57.296 58.000 0.039 0.000 1.233 98 F CB -0.047 39.016 39.000 0.104 0.000 1.067 98 F HN 0.491 nan 8.300 nan 0.000 0.564 99 N N 4.094 122.298 118.700 -0.826 0.000 2.329 99 N HA 0.675 5.414 4.740 -0.000 0.000 0.282 99 N C -2.132 172.886 175.510 -0.820 0.000 1.198 99 N CA -1.038 51.559 53.050 -0.756 0.000 0.790 99 N CB 2.343 40.632 38.487 -0.330 0.000 1.579 99 N HN 0.523 nan 8.380 nan 0.000 0.475 100 V N 1.958 121.522 119.914 -0.582 0.000 2.789 100 V HA 0.438 4.558 4.120 -0.000 0.000 0.300 100 V C -1.200 174.756 176.094 -0.229 0.000 1.184 100 V CA -0.601 61.451 62.300 -0.414 0.000 0.930 100 V CB 0.389 32.104 31.823 -0.180 0.000 1.041 100 V HN 0.801 nan 8.190 nan 0.000 0.430 101 F N 4.524 124.397 119.950 -0.129 0.000 3.048 101 F HA -0.152 4.375 4.527 -0.000 0.000 0.269 101 F C 1.589 177.315 175.800 -0.124 0.000 0.960 101 F CA 1.734 59.664 58.000 -0.117 0.000 0.909 101 F CB -1.435 37.500 39.000 -0.108 0.000 0.837 101 F HN 1.374 nan 8.300 nan 0.000 0.768 102 G N 0.057 108.836 108.800 -0.035 0.000 2.283 102 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.280 102 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.280 102 G C -0.111 174.746 174.900 -0.072 0.000 1.029 102 G CA 0.428 45.495 45.100 -0.055 0.000 0.840 102 G HN 0.626 nan 8.290 nan 0.000 0.505 103 L N -0.771 120.384 121.223 -0.114 0.000 2.371 103 L HA 0.845 5.185 4.340 -0.000 0.000 0.262 103 L C 0.070 176.820 176.870 -0.201 0.000 1.006 103 L CA -0.946 53.805 54.840 -0.148 0.000 0.818 103 L CB 2.510 44.470 42.059 -0.166 0.000 1.354 103 L HN 0.120 nan 8.230 nan 0.000 0.415 104 S N -0.683 114.922 115.700 -0.158 0.000 2.588 104 S HA 0.535 5.005 4.470 -0.000 0.000 0.275 104 S C -1.645 172.952 174.600 -0.005 0.000 1.130 104 S CA -0.702 57.473 58.200 -0.042 0.000 0.855 104 S CB 1.502 64.733 63.200 0.052 0.000 1.116 104 S HN 0.390 nan 8.310 nan 0.000 0.472 105 W N 1.540 123.028 121.300 0.314 0.000 2.251 105 W HA 0.273 4.933 4.660 -0.000 0.000 0.329 105 W C 1.867 178.557 176.519 0.286 0.000 1.234 105 W CA -0.232 57.271 57.345 0.262 0.000 1.228 105 W CB 0.566 30.176 29.460 0.250 0.000 1.135 105 W HN 0.902 nan 8.180 nan 0.000 0.576 106 T N -1.940 112.858 114.554 0.407 0.000 2.809 106 T HA -0.068 4.281 4.350 -0.000 0.000 0.260 106 T C 0.063 174.768 174.700 0.007 0.000 1.039 106 T CA 1.227 63.473 62.100 0.243 0.000 1.141 106 T CB -0.305 68.656 68.868 0.155 0.000 0.869 106 T HN 0.446 nan 8.240 nan 0.000 0.437 107 D N -0.823 119.431 120.400 -0.244 0.000 2.531 107 D HA 0.321 4.960 4.640 -0.000 0.000 0.244 107 D C 0.786 176.459 176.300 -1.044 0.000 1.090 107 D CA -0.971 52.523 54.000 -0.844 0.000 0.989 107 D CB 0.997 41.538 40.800 -0.430 0.000 1.433 107 D HN 0.081 nan 8.370 nan 0.000 0.492 108 E N 0.151 119.525 120.200 -1.377 0.000 2.130 108 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 108 E C 1.767 178.104 176.600 -0.440 0.000 0.998 108 E CA 1.410 57.278 56.400 -0.886 0.000 0.806 108 E CB -0.526 28.823 29.700 -0.586 0.000 0.738 108 E HN 0.654 nan 8.360 nan 0.000 0.459 109 G N 0.750 109.337 108.800 -0.356 0.000 2.807 109 G HA2 -0.056 3.903 3.960 -0.000 0.000 0.207 109 G HA3 -0.056 3.903 3.960 -0.000 0.000 0.207 109 G C 0.568 175.354 174.900 -0.190 0.000 1.151 109 G CA 0.115 45.088 45.100 -0.212 0.000 0.800 109 G HN 0.378 nan 8.290 nan 0.000 0.523 110 L N 0.403 121.433 121.223 -0.322 0.000 3.826 110 L HA -0.223 4.116 4.340 -0.000 0.000 0.566 110 L C 1.631 178.701 176.870 0.332 0.000 1.217 110 L CA 0.239 54.867 54.840 -0.354 0.000 0.823 110 L CB -1.841 39.566 42.059 -1.087 0.000 1.381 110 L HN 0.337 nan 8.230 nan 0.000 0.825 111 S N -0.862 115.053 115.700 0.358 0.000 2.497 111 S HA 0.382 4.852 4.470 -0.000 0.000 0.218 111 S C 0.728 175.564 174.600 0.394 0.000 1.023 111 S CA 0.617 59.045 58.200 0.380 0.000 0.913 111 S CB 0.612 63.909 63.200 0.162 0.000 0.800 111 S HN 0.765 nan 8.310 nan 0.000 0.505 112 G N 0.601 109.625 108.800 0.373 0.000 2.718 112 G HA2 0.595 4.555 3.960 -0.000 0.000 0.295 112 G HA3 0.595 4.555 3.960 -0.000 0.000 0.295 112 G C -1.980 173.021 174.900 0.169 0.000 1.421 112 G CA -0.708 44.521 45.100 0.215 0.000 0.902 112 G HN 0.272 nan 8.290 nan 0.000 0.501 113 L N 1.165 122.353 121.223 -0.057 0.000 2.307 113 L HA 0.761 5.100 4.340 -0.000 0.000 0.284 113 L C 0.378 177.179 176.870 -0.114 0.000 1.023 113 L CA -0.940 53.765 54.840 -0.224 0.000 0.810 113 L CB 1.818 43.596 42.059 -0.470 0.000 1.231 113 L HN 0.579 nan 8.230 nan 0.000 0.423 114 V N 0.133 119.999 119.914 -0.080 0.000 3.156 114 V HA 0.849 4.969 4.120 -0.000 0.000 0.311 114 V C 0.040 176.103 176.094 -0.051 0.000 1.208 114 V CA -1.121 61.155 62.300 -0.039 0.000 1.063 114 V CB 1.548 33.380 31.823 0.015 0.000 1.098 114 V HN 0.751 nan 8.190 nan 0.000 0.452 115 A N 0.535 123.336 122.820 -0.033 0.000 2.511 115 A HA 0.718 5.038 4.320 -0.000 0.000 0.242 115 A C 0.625 178.190 177.584 -0.031 0.000 1.069 115 A CA 0.355 52.370 52.037 -0.036 0.000 0.763 115 A CB -0.301 18.684 19.000 -0.025 0.000 1.001 115 A HN 2.200 nan 8.150 nan 0.000 0.498 116 A N 1.976 124.766 122.820 -0.049 0.000 2.371 116 A HA 0.451 4.771 4.320 -0.000 0.000 0.257 116 A C 0.533 178.095 177.584 -0.037 0.000 1.089 116 A CA -0.318 51.689 52.037 -0.050 0.000 0.794 116 A CB 0.063 19.009 19.000 -0.089 0.000 1.029 116 A HN 0.952 nan 8.150 nan 0.000 0.488 117 Q N 0.561 120.343 119.800 -0.029 0.000 2.263 117 Q HA 0.105 4.445 4.340 -0.000 0.000 0.289 117 Q C -1.125 174.853 176.000 -0.038 0.000 1.061 117 Q CA 0.520 56.306 55.803 -0.028 0.000 0.927 117 Q CB 0.341 29.064 28.738 -0.025 0.000 1.154 117 Q HN 0.668 nan 8.270 nan 0.000 0.378 118 D N 4.852 125.233 120.400 -0.032 0.000 2.787 118 D HA 0.397 5.036 4.640 -0.000 0.000 0.246 118 D C -2.193 174.090 176.300 -0.027 0.000 1.150 118 D CA -1.472 52.507 54.000 -0.034 0.000 0.864 118 D CB 1.224 42.005 40.800 -0.032 0.000 1.481 118 D HN 0.440 nan 8.370 nan 0.000 0.509 119 P HA 0.235 nan 4.420 nan 0.000 0.267 119 P C -2.612 174.663 177.300 -0.041 0.000 1.201 119 P CA -0.916 62.163 63.100 -0.035 0.000 0.775 119 P CB -0.427 31.254 31.700 -0.031 0.000 0.854 120 P HA 0.168 nan 4.420 nan 0.000 0.281 120 P C -1.948 175.322 177.300 -0.050 0.000 1.252 120 P CA -1.374 61.690 63.100 -0.059 0.000 0.778 120 P CB 0.198 31.849 31.700 -0.081 0.000 0.895 121 P HA -0.140 nan 4.420 nan 0.000 0.214 121 P C 0.460 177.736 177.300 -0.039 0.000 1.169 121 P CA 1.630 64.705 63.100 -0.041 0.000 0.908 121 P CB -0.191 31.482 31.700 -0.045 0.000 0.791 122 A N -0.783 122.011 122.820 -0.044 0.000 2.304 122 A HA 0.618 4.937 4.320 -0.000 0.000 0.301 122 A C 0.110 177.669 177.584 -0.041 0.000 1.132 122 A CA -0.279 51.739 52.037 -0.033 0.000 0.819 122 A CB 0.220 19.208 19.000 -0.019 0.000 1.094 122 A HN 0.243 nan 8.150 nan 0.000 0.492 123 A N 3.056 125.860 122.820 -0.027 0.000 2.587 123 A HA 0.439 4.759 4.320 -0.000 0.000 0.235 123 A C -2.180 175.372 177.584 -0.053 0.000 1.044 123 A CA -0.452 51.563 52.037 -0.035 0.000 0.754 123 A CB -0.893 18.098 19.000 -0.016 0.000 0.968 123 A HN 0.606 nan 8.150 nan 0.000 0.509 124 P HA 0.073 nan 4.420 nan 0.000 0.268 124 P C -0.424 176.822 177.300 -0.091 0.000 1.205 124 P CA 0.166 63.176 63.100 -0.150 0.000 0.771 124 P CB 0.179 31.761 31.700 -0.196 0.000 0.858 125 Y N 2.897 123.048 120.300 -0.248 0.000 2.497 125 Y HA 0.040 4.590 4.550 -0.000 0.000 0.334 125 Y C 0.282 176.100 175.900 -0.138 0.000 1.199 125 Y CA 0.417 58.454 58.100 -0.104 0.000 1.425 125 Y CB 0.408 38.874 38.460 0.011 0.000 1.291 125 Y HN 0.301 nan 8.280 nan 0.000 0.562 126 Q N 8.144 127.568 119.800 -0.626 0.000 2.400 126 Q HA 0.327 4.667 4.340 -0.000 0.000 0.255 126 Q C -2.328 173.187 176.000 -0.807 0.000 1.008 126 Q CA -2.051 53.416 55.803 -0.560 0.000 0.841 126 Q CB 1.055 29.634 28.738 -0.265 0.000 1.220 126 Q HN 0.579 nan 8.270 nan 0.000 0.474 127 P HA 0.115 nan 4.420 nan 0.000 0.269 127 P C -1.032 176.350 177.300 0.138 0.000 1.215 127 P CA -0.060 62.907 63.100 -0.222 0.000 0.780 127 P CB 0.691 32.443 31.700 0.088 0.000 0.898 128 A N 1.322 124.276 122.820 0.224 0.000 2.340 128 A HA 0.550 4.869 4.320 -0.000 0.000 0.331 128 A C -0.047 177.533 177.584 -0.007 0.000 1.140 128 A CA -0.477 51.652 52.037 0.154 0.000 0.801 128 A CB 0.846 19.901 19.000 0.092 0.000 1.234 128 A HN 0.418 nan 8.150 nan 0.000 0.469 129 S N 1.487 116.911 115.700 -0.459 0.000 2.452 129 S HA 0.474 4.944 4.470 -0.000 0.000 0.284 129 S C 0.639 174.919 174.600 -0.533 0.000 1.171 129 S CA 0.524 58.154 58.200 -0.950 0.000 1.064 129 S CB -0.009 62.314 63.200 -1.461 0.000 0.967 129 S HN 2.449 nan 8.310 nan 0.000 0.484 130 A N 2.983 125.440 122.820 -0.605 0.000 2.667 130 A HA -0.149 4.171 4.320 -0.000 0.000 0.298 130 A C 0.026 177.216 177.584 -0.657 0.000 1.483 130 A CA 1.026 52.569 52.037 -0.823 0.000 0.738 130 A CB -2.060 16.740 19.000 -0.334 0.000 1.067 130 A HN 0.823 nan 8.150 nan 0.000 0.451 131 Q N -1.341 118.065 119.800 -0.657 0.000 2.394 131 Q HA 0.708 5.048 4.340 -0.000 0.000 0.273 131 Q C -0.693 175.206 176.000 -0.168 0.000 1.089 131 Q CA -0.358 55.328 55.803 -0.196 0.000 0.812 131 Q CB 0.938 29.652 28.738 -0.040 0.000 1.353 131 Q HN 0.541 nan 8.270 nan 0.000 0.438 132 W N 1.125 122.530 121.300 0.175 0.000 2.381 132 W HA 0.671 5.331 4.660 -0.000 0.000 0.329 132 W C -0.183 176.461 176.519 0.208 0.000 1.157 132 W CA -0.304 57.169 57.345 0.214 0.000 1.240 132 W CB 1.723 31.289 29.460 0.177 0.000 1.199 132 W HN 0.383 nan 8.180 nan 0.000 0.579 133 S N 1.504 117.534 115.700 0.549 0.000 2.547 133 S HA 0.107 4.577 4.470 -0.000 0.000 0.281 133 S C -1.452 173.392 174.600 0.407 0.000 1.118 133 S CA -0.785 57.669 58.200 0.423 0.000 0.947 133 S CB 1.566 65.013 63.200 0.411 0.000 1.053 133 S HN 0.382 nan 8.310 nan 0.000 0.482 134 D N 2.183 122.760 120.400 0.295 0.000 2.316 134 D HA 0.236 4.876 4.640 -0.000 0.000 0.245 134 D C 0.832 177.292 176.300 0.267 0.000 1.171 134 D CA -0.346 53.805 54.000 0.252 0.000 0.856 134 D CB 0.630 41.534 40.800 0.173 0.000 1.090 134 D HN 0.428 nan 8.370 nan 0.000 0.476 135 L N 3.417 124.819 121.223 0.299 0.000 2.376 135 L HA -0.020 4.320 4.340 -0.000 0.000 0.219 135 L C 1.948 179.028 176.870 0.350 0.000 1.133 135 L CA 0.378 55.425 54.840 0.345 0.000 0.816 135 L CB -0.032 42.168 42.059 0.236 0.000 0.933 135 L HN 0.470 nan 8.230 nan 0.000 0.449 136 L N -0.603 120.749 121.223 0.215 0.000 2.492 136 L HA -0.024 4.316 4.340 -0.000 0.000 0.223 136 L C 1.802 178.762 176.870 0.150 0.000 1.132 136 L CA -0.032 54.901 54.840 0.154 0.000 0.850 136 L CB -0.428 41.685 42.059 0.089 0.000 0.966 136 L HN 0.270 nan 8.230 nan 0.000 0.454 137 N N -0.081 118.719 118.700 0.167 0.000 2.258 137 N HA -0.224 4.516 4.740 -0.000 0.000 0.187 137 N C 0.453 176.045 175.510 0.137 0.000 1.012 137 N CA 0.877 54.006 53.050 0.131 0.000 0.870 137 N CB -0.333 38.234 38.487 0.133 0.000 0.977 137 N HN 0.203 nan 8.380 nan 0.000 0.434 138 Y N 2.105 122.419 120.300 0.024 0.000 2.637 138 Y HA 0.125 4.675 4.550 -0.000 0.000 0.350 138 Y C -1.513 174.322 175.900 -0.108 0.000 1.069 138 Y CA -2.489 55.538 58.100 -0.122 0.000 1.397 138 Y CB 0.742 38.995 38.460 -0.345 0.000 1.163 138 Y HN 0.048 nan 8.280 nan 0.000 0.527 139 P HA -0.292 nan 4.420 nan 0.000 0.218 139 P C 1.516 178.591 177.300 -0.375 0.000 1.154 139 P CA 2.130 65.022 63.100 -0.346 0.000 0.872 139 P CB 0.124 31.617 31.700 -0.346 0.000 0.790 140 R N -1.585 118.509 120.500 -0.678 0.000 2.115 140 R HA -0.138 4.202 4.340 -0.000 0.000 0.230 140 R C 1.790 178.027 176.300 -0.105 0.000 1.111 140 R CA 1.326 57.173 56.100 -0.422 0.000 0.976 140 R CB -0.475 29.506 30.300 -0.533 0.000 0.870 140 R HN 0.203 nan 8.270 nan 0.000 0.445 141 W N 0.111 121.304 121.300 -0.177 0.000 2.523 141 W HA 0.220 4.880 4.660 -0.000 0.000 0.278 141 W C 2.237 178.649 176.519 -0.178 0.000 1.236 141 W CA 0.410 57.673 57.345 -0.136 0.000 1.306 141 W CB -0.807 28.627 29.460 -0.044 0.000 1.101 141 W HN 0.221 nan 8.180 nan 0.000 0.577 142 A N 0.844 123.709 122.820 0.074 0.000 1.908 142 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 142 A C 1.818 179.378 177.584 -0.041 0.000 1.181 142 A CA 2.246 54.278 52.037 -0.007 0.000 0.627 142 A CB -0.780 18.210 19.000 -0.016 0.000 0.818 142 A HN 0.275 nan 8.150 nan 0.000 0.445 143 N N -0.901 117.767 118.700 -0.054 0.000 2.368 143 N HA 0.053 4.793 4.740 -0.000 0.000 0.176 143 N C 0.336 175.812 175.510 -0.057 0.000 1.021 143 N CA 0.562 53.575 53.050 -0.062 0.000 0.888 143 N CB 0.145 38.585 38.487 -0.079 0.000 0.995 143 N HN 0.371 nan 8.380 nan 0.000 0.437 144 R N 0.616 121.090 120.500 -0.044 0.000 2.587 144 R HA 0.291 4.631 4.340 -0.000 0.000 0.283 144 R C 0.395 176.656 176.300 -0.065 0.000 1.472 144 R CA -0.204 55.869 56.100 -0.045 0.000 1.578 144 R CB 1.064 31.346 30.300 -0.031 0.000 1.130 144 R HN 0.085 nan 8.270 nan 0.000 0.602 145 R N 1.746 122.177 120.500 -0.115 0.000 2.092 145 R HA -0.156 4.184 4.340 -0.000 0.000 0.231 145 R C 1.838 177.984 176.300 -0.257 0.000 1.119 145 R CA 1.731 57.701 56.100 -0.218 0.000 0.970 145 R CB 0.199 30.381 30.300 -0.197 0.000 0.864 145 R HN 0.372 nan 8.270 nan 0.000 0.440 146 R N 0.075 120.475 120.500 -0.167 0.000 2.241 146 R HA -0.062 4.278 4.340 -0.000 0.000 0.224 146 R C 1.477 177.667 176.300 -0.184 0.000 1.101 146 R CA 1.553 57.560 56.100 -0.154 0.000 0.995 146 R CB -0.321 29.919 30.300 -0.099 0.000 0.870 146 R HN 0.347 nan 8.270 nan 0.000 0.463 147 E N 0.714 120.807 120.200 -0.179 0.000 2.072 147 E HA -0.133 4.217 4.350 -0.000 0.000 0.190 147 E C 1.755 178.112 176.600 -0.406 0.000 0.982 147 E CA 0.921 57.212 56.400 -0.183 0.000 0.803 147 E CB -0.120 29.573 29.700 -0.012 0.000 0.755 147 E HN 0.203 nan 8.360 nan 0.000 0.453 148 L N 1.742 122.566 121.223 -0.665 0.000 1.989 148 L HA -0.230 4.109 4.340 -0.000 0.000 0.211 148 L C 2.077 178.561 176.870 -0.644 0.000 1.071 148 L CA 1.867 56.035 54.840 -1.119 0.000 0.749 148 L CB -0.651 40.646 42.059 -1.270 0.000 0.890 148 L HN 0.056 nan 8.230 nan 0.000 0.431 149 Q N -1.312 118.218 119.800 -0.450 0.000 2.181 149 Q HA -0.205 4.134 4.340 -0.000 0.000 0.205 149 Q C 2.415 178.333 176.000 -0.135 0.000 0.980 149 Q CA 1.654 57.347 55.803 -0.183 0.000 0.862 149 Q CB -0.273 28.390 28.738 -0.125 0.000 0.905 149 Q HN 0.610 nan 8.270 nan 0.000 0.429 150 S N 0.534 116.104 115.700 -0.217 0.000 2.368 150 S HA -0.148 4.322 4.470 -0.000 0.000 0.225 150 S C 1.556 176.028 174.600 -0.213 0.000 1.030 150 S CA 1.289 59.373 58.200 -0.192 0.000 0.999 150 S CB 0.100 63.174 63.200 -0.210 0.000 0.844 150 S HN 0.275 nan 8.310 nan 0.000 0.459 151 K N -1.119 119.058 120.400 -0.372 0.000 2.356 151 K HA 0.093 4.413 4.320 -0.000 0.000 0.195 151 K C 1.710 178.194 176.600 -0.193 0.000 1.037 151 K CA 0.407 56.428 56.287 -0.444 0.000 1.014 151 K CB -0.188 31.670 32.500 -1.070 0.000 0.815 151 K HN 0.382 nan 8.250 nan 0.000 0.507 152 Y N 2.543 122.687 120.300 -0.260 0.000 2.242 152 Y HA -0.108 4.442 4.550 -0.000 0.000 0.291 152 Y C -1.168 174.736 175.900 0.005 0.000 1.137 152 Y CA 0.833 58.868 58.100 -0.109 0.000 1.181 152 Y CB -0.772 37.685 38.460 -0.006 0.000 0.989 152 Y HN -0.014 nan 8.280 nan 0.000 0.527 153 P HA -0.263 nan 4.420 nan 0.000 0.216 153 P C 1.993 179.257 177.300 -0.060 0.000 1.157 153 P CA 1.880 64.947 63.100 -0.055 0.000 0.880 153 P CB -0.168 31.531 31.700 -0.002 0.000 0.791 154 L N -1.529 119.697 121.223 0.006 0.000 2.012 154 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 154 L C 2.495 179.381 176.870 0.027 0.000 1.073 154 L CA 1.528 56.421 54.840 0.089 0.000 0.748 154 L CB -0.777 41.403 42.059 0.201 0.000 0.891 154 L HN -0.062 nan 8.230 nan 0.000 0.431 155 L N -1.206 119.955 121.223 -0.102 0.000 2.083 155 L HA -0.244 4.095 4.340 -0.000 0.000 0.209 155 L C 2.454 179.311 176.870 -0.022 0.000 1.083 155 L CA 0.729 55.548 54.840 -0.034 0.000 0.752 155 L CB -0.456 41.606 42.059 0.004 0.000 0.899 155 L HN 0.288 nan 8.230 nan 0.000 0.433 156 L N -0.221 120.797 121.223 -0.342 0.000 2.056 156 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 156 L C 2.756 179.606 176.870 -0.033 0.000 1.078 156 L CA 1.514 56.182 54.840 -0.285 0.000 0.749 156 L CB -0.642 41.150 42.059 -0.445 0.000 0.901 156 L HN 0.111 nan 8.230 nan 0.000 0.433 157 R N -0.668 119.837 120.500 0.009 0.000 2.103 157 R HA -0.155 4.184 4.340 -0.000 0.000 0.242 157 R C 2.122 178.486 176.300 0.107 0.000 1.142 157 R CA 1.883 58.029 56.100 0.076 0.000 0.960 157 R CB -0.442 29.916 30.300 0.096 0.000 0.858 157 R HN 0.467 nan 8.270 nan 0.000 0.439 158 S N -0.311 115.491 115.700 0.170 0.000 2.368 158 S HA -0.087 4.382 4.470 -0.000 0.000 0.224 158 S C 1.882 176.497 174.600 0.025 0.000 1.029 158 S CA 1.729 60.037 58.200 0.180 0.000 0.988 158 S CB -0.245 63.219 63.200 0.439 0.000 0.838 158 S HN 0.453 nan 8.310 nan 0.000 0.462 159 T N 3.090 117.614 114.554 -0.051 0.000 2.652 159 T HA -0.025 4.324 4.350 -0.000 0.000 0.267 159 T C 1.759 176.438 174.700 -0.035 0.000 1.039 159 T CA 1.121 63.120 62.100 -0.168 0.000 1.153 159 T CB -0.495 68.294 68.868 -0.132 0.000 0.863 159 T HN 0.240 nan 8.240 nan 0.000 0.428 160 L N 0.210 121.464 121.223 0.052 0.000 2.017 160 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 160 L C 2.497 179.360 176.870 -0.011 0.000 1.073 160 L CA 0.882 55.763 54.840 0.067 0.000 0.745 160 L CB -0.573 41.553 42.059 0.111 0.000 0.894 160 L HN 0.222 nan 8.230 nan 0.000 0.432 161 L N -0.698 120.529 121.223 0.007 0.000 2.083 161 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 161 L C 2.512 179.398 176.870 0.026 0.000 1.083 161 L CA 1.727 56.564 54.840 -0.006 0.000 0.752 161 L CB -0.373 41.718 42.059 0.053 0.000 0.899 161 L HN 0.082 nan 8.230 nan 0.000 0.433 162 S N -0.680 115.050 115.700 0.049 0.000 2.414 162 S HA 0.021 4.491 4.470 -0.000 0.000 0.227 162 S C 2.035 176.729 174.600 0.156 0.000 1.022 162 S CA 0.807 59.064 58.200 0.095 0.000 0.958 162 S CB -0.309 62.898 63.200 0.012 0.000 0.797 162 S HN 0.633 nan 8.310 nan 0.000 0.493 163 A N 1.566 124.417 122.820 0.052 0.000 1.929 163 A HA 0.146 4.466 4.320 -0.000 0.000 0.216 163 A C 1.028 178.531 177.584 -0.136 0.000 1.176 163 A CA 0.786 52.741 52.037 -0.137 0.000 0.628 163 A CB -0.347 18.548 19.000 -0.175 0.000 0.816 163 A HN 0.316 nan 8.150 nan 0.000 0.444 164 M N -0.126 119.388 119.600 -0.144 0.000 2.249 164 M HA 0.083 4.563 4.480 -0.000 0.000 0.340 164 M C 1.343 177.586 176.300 -0.095 0.000 1.166 164 M CA 0.202 55.405 55.300 -0.162 0.000 1.115 164 M CB 0.166 32.661 32.600 -0.175 0.000 1.606 164 M HN 0.424 nan 8.290 nan 0.000 0.448 165 R N 1.369 121.813 120.500 -0.093 0.000 2.119 165 R HA 0.107 4.447 4.340 -0.000 0.000 0.222 165 R C 0.787 177.060 176.300 -0.045 0.000 1.088 165 R CA 1.354 57.422 56.100 -0.052 0.000 0.984 165 R CB 0.377 30.649 30.300 -0.048 0.000 0.884 165 R HN 0.814 nan 8.270 nan 0.000 0.447 166 A N -0.540 122.230 122.820 -0.084 0.000 2.970 166 A HA 0.537 4.857 4.320 -0.000 0.000 0.197 166 A C 0.361 177.820 177.584 -0.208 0.000 1.411 166 A CA 0.094 52.079 52.037 -0.086 0.000 1.518 166 A CB -0.637 18.303 19.000 -0.100 0.000 1.658 166 A HN 0.313 nan 8.150 nan 0.000 0.539 167 G N 0.040 108.607 108.800 -0.389 0.000 2.562 167 G HA2 0.518 4.478 3.960 -0.000 0.000 0.275 167 G HA3 0.518 4.478 3.960 -0.000 0.000 0.275 167 G C -2.580 171.927 174.900 -0.655 0.000 1.196 167 G CA -1.107 43.368 45.100 -1.042 0.000 0.908 167 G HN 0.429 nan 8.290 nan 0.000 0.524 168 P HA 0.154 nan 4.420 nan 0.000 0.272 168 P C -0.187 177.157 177.300 0.074 0.000 1.223 168 P CA -0.259 62.682 63.100 -0.265 0.000 0.784 168 P CB 1.410 32.957 31.700 -0.255 0.000 0.923 169 V N 3.497 123.443 119.914 0.053 0.000 2.644 169 V HA 0.269 4.389 4.120 -0.000 0.000 0.295 169 V C 0.087 176.259 176.094 0.131 0.000 1.053 169 V CA -0.687 61.696 62.300 0.138 0.000 0.987 169 V CB 0.586 32.474 31.823 0.109 0.000 1.006 169 V HN 0.280 nan 8.190 nan 0.000 0.472 170 L N 5.926 127.223 121.223 0.123 0.000 2.317 170 L HA 0.437 4.776 4.340 -0.000 0.000 0.281 170 L C -0.954 176.076 176.870 0.266 0.000 1.024 170 L CA -0.709 54.166 54.840 0.059 0.000 0.810 170 L CB 1.501 43.429 42.059 -0.218 0.000 1.240 170 L HN 0.672 nan 8.230 nan 0.000 0.427 171 Y N 3.509 123.929 120.300 0.199 0.000 2.535 171 Y HA 0.396 4.946 4.550 -0.000 0.000 0.349 171 Y C -0.443 175.548 175.900 0.152 0.000 0.992 171 Y CA -0.678 57.587 58.100 0.275 0.000 1.248 171 Y CB 0.710 39.376 38.460 0.343 0.000 1.124 171 Y HN 0.256 nan 8.280 nan 0.000 0.520 172 V N 5.808 125.623 119.914 -0.164 0.000 2.328 172 V HA 0.356 4.476 4.120 -0.000 0.000 0.278 172 V C -0.508 175.644 176.094 0.096 0.000 1.021 172 V CA -0.880 61.429 62.300 0.014 0.000 0.838 172 V CB 1.241 33.021 31.823 -0.071 0.000 0.999 172 V HN 0.725 nan 8.190 nan 0.000 0.447 173 E N 3.436 123.876 120.200 0.401 0.000 2.218 173 E HA 0.617 4.966 4.350 -0.000 0.000 0.263 173 E C -0.446 176.443 176.600 0.482 0.000 0.879 173 E CA -0.424 56.263 56.400 0.479 0.000 0.762 173 E CB 1.694 31.784 29.700 0.650 0.000 1.166 173 E HN 0.861 nan 8.360 nan 0.000 0.415 174 T N 1.230 115.920 114.554 0.226 0.000 2.888 174 T HA 0.773 5.123 4.350 -0.000 0.000 0.284 174 T C -0.770 174.065 174.700 0.224 0.000 1.017 174 T CA -0.848 61.327 62.100 0.126 0.000 1.022 174 T CB 0.613 69.509 68.868 0.046 0.000 1.013 174 T HN 0.543 nan 8.240 nan 0.000 0.465 175 W N 0.006 121.286 121.300 -0.033 0.000 3.118 175 W HA 0.674 5.334 4.660 -0.000 0.000 0.328 175 W C -3.414 173.075 176.519 -0.051 0.000 1.239 175 W CA -2.969 54.326 57.345 -0.083 0.000 1.176 175 W CB -0.156 29.271 29.460 -0.056 0.000 1.433 175 W HN 0.465 nan 8.180 nan 0.000 0.562 176 P HA -0.082 nan 4.420 nan 0.000 0.262 176 P C 0.200 177.507 177.300 0.012 0.000 1.182 176 P CA 0.746 63.855 63.100 0.016 0.000 0.761 176 P CB 0.344 32.063 31.700 0.032 0.000 0.795 177 N N 1.875 120.545 118.700 -0.050 0.000 2.725 177 N HA -0.193 4.547 4.740 -0.000 0.000 0.251 177 N C 0.784 176.234 175.510 -0.100 0.000 1.031 177 N CA 0.729 53.752 53.050 -0.045 0.000 0.720 177 N CB -0.401 38.098 38.487 0.020 0.000 0.930 177 N HN 0.480 nan 8.380 nan 0.000 0.543 178 M N -1.977 117.411 119.600 -0.353 0.000 2.156 178 M HA 0.053 4.533 4.480 -0.000 0.000 0.264 178 M C 0.900 176.994 176.300 -0.344 0.000 1.067 178 M CA 1.429 56.287 55.300 -0.737 0.000 1.131 178 M CB -0.041 31.589 32.600 -1.618 0.000 1.368 178 M HN 0.092 nan 8.290 nan 0.000 0.416 179 I N 3.091 123.494 120.570 -0.278 0.000 2.269 179 I HA 0.233 4.403 4.170 -0.000 0.000 0.293 179 I C -0.522 175.576 176.117 -0.031 0.000 1.106 179 I CA -0.474 60.708 61.300 -0.198 0.000 1.248 179 I CB 0.094 37.932 38.000 -0.270 0.000 1.444 179 I HN 0.394 nan 8.210 nan 0.000 0.497 180 S N 3.247 118.965 115.700 0.029 0.000 2.535 180 S HA 0.808 5.278 4.470 -0.000 0.000 0.272 180 S C 0.043 174.703 174.600 0.101 0.000 1.149 180 S CA -0.212 58.033 58.200 0.075 0.000 0.888 180 S CB 1.911 65.148 63.200 0.063 0.000 1.110 180 S HN 0.972 nan 8.310 nan 0.000 0.463 181 G N 3.143 112.008 108.800 0.107 0.000 2.595 181 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.297 181 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.297 181 G C 0.548 175.523 174.900 0.125 0.000 1.181 181 G CA 0.259 45.421 45.100 0.103 0.000 0.963 181 G HN 0.871 nan 8.290 nan 0.000 0.541 182 R N 0.286 120.856 120.500 0.116 0.000 2.346 182 R HA 0.245 4.585 4.340 -0.000 0.000 0.208 182 R C 1.655 178.071 176.300 0.194 0.000 1.052 182 R CA 0.813 56.994 56.100 0.135 0.000 1.116 182 R CB -0.214 30.137 30.300 0.086 0.000 1.003 182 R HN 0.342 nan 8.270 nan 0.000 0.482 183 L N -2.254 119.089 121.223 0.201 0.000 2.902 183 L HA 0.285 4.625 4.340 -0.000 0.000 0.254 183 L C 1.496 178.503 176.870 0.229 0.000 1.115 183 L CA 0.577 55.560 54.840 0.239 0.000 0.947 183 L CB 0.496 42.621 42.059 0.110 0.000 1.369 183 L HN -0.049 nan 8.230 nan 0.000 0.538 184 A N -1.246 121.717 122.820 0.238 0.000 2.208 184 A HA 0.041 4.360 4.320 -0.000 0.000 0.209 184 A C 1.381 179.199 177.584 0.391 0.000 1.161 184 A CA 1.155 53.426 52.037 0.390 0.000 0.782 184 A CB -0.238 18.966 19.000 0.339 0.000 0.816 184 A HN 0.350 nan 8.150 nan 0.000 0.477 185 D N -2.574 118.012 120.400 0.310 0.000 2.388 185 D HA 0.044 4.684 4.640 -0.000 0.000 0.208 185 D C 1.278 177.744 176.300 0.276 0.000 1.035 185 D CA 0.235 54.385 54.000 0.250 0.000 0.875 185 D CB -0.115 40.800 40.800 0.191 0.000 0.984 185 D HN 0.673 nan 8.370 nan 0.000 0.508 186 W N -0.277 121.125 121.300 0.170 0.000 2.525 186 W HA 0.116 4.776 4.660 -0.000 0.000 0.288 186 W C 1.493 178.074 176.519 0.105 0.000 1.200 186 W CA 0.538 57.963 57.345 0.133 0.000 1.349 186 W CB -0.387 29.158 29.460 0.142 0.000 1.102 186 W HN -0.191 nan 8.180 nan 0.000 0.558 187 F N 0.194 120.193 119.950 0.082 0.000 2.171 187 F HA -0.248 4.279 4.527 -0.000 0.000 0.300 187 F C 2.398 178.023 175.800 -0.292 0.000 1.090 187 F CA 1.449 59.231 58.000 -0.365 0.000 1.293 187 F CB -0.526 37.936 39.000 -0.897 0.000 1.013 187 F HN -0.107 nan 8.300 nan 0.000 0.486 188 M N -0.680 119.077 119.600 0.262 0.000 2.319 188 M HA -0.086 4.394 4.480 -0.000 0.000 0.265 188 M C 2.078 178.435 176.300 0.095 0.000 1.068 188 M CA 1.157 56.661 55.300 0.340 0.000 1.118 188 M CB -0.592 32.188 32.600 0.300 0.000 1.395 188 M HN -0.100 nan 8.290 nan 0.000 0.435 189 S N -0.331 115.342 115.700 -0.045 0.000 2.607 189 S HA 0.078 4.547 4.470 -0.000 0.000 0.224 189 S C 0.604 175.050 174.600 -0.256 0.000 0.969 189 S CA 0.365 58.478 58.200 -0.144 0.000 0.927 189 S CB -0.213 62.877 63.200 -0.184 0.000 0.772 189 S HN 0.643 nan 8.310 nan 0.000 0.533 190 Q N 0.740 120.370 119.800 -0.282 0.000 3.048 190 Q HA 0.223 4.563 4.340 -0.000 0.000 0.337 190 Q C -1.566 174.383 176.000 -0.085 0.000 0.845 190 Q CA -0.344 55.293 55.803 -0.278 0.000 0.942 190 Q CB 0.858 29.257 28.738 -0.565 0.000 1.454 190 Q HN 0.552 nan 8.270 nan 0.000 0.392 191 Y N -0.388 119.884 120.300 -0.046 0.000 2.309 191 Y HA 0.393 4.942 4.550 -0.000 0.000 0.327 191 Y C 1.397 177.334 175.900 0.061 0.000 1.172 191 Y CA 1.601 59.738 58.100 0.063 0.000 1.280 191 Y CB 1.024 39.532 38.460 0.079 0.000 1.234 191 Y HN 0.592 nan 8.280 nan 0.000 0.512 192 G N 3.520 111.928 108.800 -0.653 0.000 2.196 192 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.268 192 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.268 192 G C 0.210 175.004 174.900 -0.177 0.000 0.975 192 G CA 0.329 45.218 45.100 -0.352 0.000 0.648 192 G HN 0.722 nan 8.290 nan 0.000 0.538 193 N N 0.324 118.932 118.700 -0.152 0.000 2.424 193 N HA 0.135 4.875 4.740 -0.000 0.000 0.257 193 N C -0.175 175.335 175.510 -0.000 0.000 1.250 193 N CA -0.251 52.757 53.050 -0.070 0.000 0.946 193 N CB 0.313 38.749 38.487 -0.085 0.000 1.175 193 N HN 0.363 nan 8.380 nan 0.000 0.477 194 N N 1.222 119.951 118.700 0.048 0.000 2.472 194 N HA -0.006 4.734 4.740 -0.000 0.000 0.277 194 N C 0.773 176.400 175.510 0.195 0.000 1.081 194 N CA -0.233 52.898 53.050 0.136 0.000 0.973 194 N CB 0.739 39.275 38.487 0.081 0.000 1.105 194 N HN 0.425 nan 8.380 nan 0.000 0.470 195 F N 4.526 124.576 119.950 0.167 0.000 2.063 195 F HA -0.260 4.267 4.527 -0.000 0.000 0.298 195 F C 1.906 177.639 175.800 -0.112 0.000 1.109 195 F CA 1.660 59.644 58.000 -0.028 0.000 1.212 195 F CB -0.312 38.455 39.000 -0.388 0.000 0.973 195 F HN 0.366 nan 8.300 nan 0.000 0.480 196 V N 0.244 120.070 119.914 -0.146 0.000 2.407 196 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 196 V C 2.145 178.127 176.094 -0.186 0.000 1.055 196 V CA 2.075 64.241 62.300 -0.225 0.000 1.049 196 V CB -0.846 30.963 31.823 -0.024 0.000 0.662 196 V HN 0.338 nan 8.190 nan 0.000 0.455 197 D N 0.157 120.500 120.400 -0.095 0.000 2.103 197 D HA -0.211 4.429 4.640 -0.000 0.000 0.190 197 D C 2.200 178.439 176.300 -0.102 0.000 0.997 197 D CA 1.909 55.867 54.000 -0.069 0.000 0.833 197 D CB -0.238 40.544 40.800 -0.029 0.000 0.961 197 D HN 0.354 nan 8.370 nan 0.000 0.447 198 M N -0.527 118.996 119.600 -0.129 0.000 2.106 198 M HA -0.203 4.276 4.480 -0.000 0.000 0.259 198 M C 2.627 178.851 176.300 -0.126 0.000 1.068 198 M CA 1.080 56.310 55.300 -0.118 0.000 1.100 198 M CB -0.381 32.157 32.600 -0.105 0.000 1.351 198 M HN 0.173 nan 8.290 nan 0.000 0.404 199 C N 0.136 119.247 119.300 -0.315 0.000 2.425 199 C HA -0.099 4.361 4.460 -0.000 0.000 0.277 199 C C 3.084 177.984 174.990 -0.149 0.000 1.280 199 C CA 1.027 59.859 59.018 -0.310 0.000 1.744 199 C CB -1.363 26.061 27.740 -0.527 0.000 1.989 199 C HN 0.656 nan 8.230 nan 0.000 0.491 200 A N 0.080 122.828 122.820 -0.121 0.000 1.968 200 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 200 A C 2.211 179.786 177.584 -0.016 0.000 1.169 200 A CA 1.412 53.414 52.037 -0.057 0.000 0.638 200 A CB -0.551 18.422 19.000 -0.045 0.000 0.812 200 A HN 0.627 nan 8.150 nan 0.000 0.446 201 R N -0.588 119.912 120.500 -0.000 0.000 2.081 201 R HA -0.022 4.318 4.340 -0.000 0.000 0.235 201 R C 1.782 178.137 176.300 0.092 0.000 1.131 201 R CA 1.474 57.606 56.100 0.053 0.000 0.960 201 R CB -0.288 30.054 30.300 0.070 0.000 0.856 201 R HN 0.532 nan 8.270 nan 0.000 0.436 202 L N -0.927 120.349 121.223 0.088 0.000 2.270 202 L HA -0.032 4.308 4.340 -0.000 0.000 0.210 202 L C 2.020 178.888 176.870 -0.003 0.000 1.104 202 L CA 0.817 55.703 54.840 0.077 0.000 0.804 202 L CB -0.057 42.042 42.059 0.066 0.000 0.937 202 L HN 0.230 nan 8.230 nan 0.000 0.450 203 T N -0.959 113.583 114.554 -0.020 0.000 2.777 203 T HA -0.240 4.110 4.350 -0.000 0.000 0.266 203 T C 1.794 176.476 174.700 -0.029 0.000 1.040 203 T CA 1.312 63.393 62.100 -0.032 0.000 1.141 203 T CB -0.040 68.813 68.868 -0.025 0.000 0.868 203 T HN 0.358 nan 8.240 nan 0.000 0.444 204 Q N 0.707 120.502 119.800 -0.009 0.000 2.083 204 Q HA -0.070 4.269 4.340 -0.000 0.000 0.198 204 Q C 2.363 178.355 176.000 -0.014 0.000 0.969 204 Q CA 1.311 57.114 55.803 -0.001 0.000 0.838 204 Q CB -0.196 28.552 28.738 0.018 0.000 0.900 204 Q HN 0.362 nan 8.270 nan 0.000 0.436 205 S N -0.108 115.593 115.700 0.002 0.000 2.400 205 S HA -0.121 4.348 4.470 -0.000 0.000 0.232 205 S C 1.353 175.825 174.600 -0.213 0.000 1.025 205 S CA 1.070 59.269 58.200 -0.001 0.000 0.993 205 S CB -0.135 63.157 63.200 0.153 0.000 0.808 205 S HN 0.478 nan 8.310 nan 0.000 0.478 206 C N 1.883 121.018 119.300 -0.276 0.000 2.294 206 C HA 0.381 4.841 4.460 -0.000 0.000 0.348 206 C C 2.066 176.927 174.990 -0.215 0.000 1.355 206 C CA -0.636 58.141 59.018 -0.402 0.000 1.774 206 C CB -1.873 25.652 27.740 -0.358 0.000 2.259 206 C HN 0.452 nan 8.230 nan 0.000 0.570 207 S N 2.237 117.851 115.700 -0.143 0.000 2.362 207 S HA -0.050 4.420 4.470 -0.000 0.000 0.221 207 S C 0.977 175.527 174.600 -0.084 0.000 1.032 207 S CA 0.859 59.011 58.200 -0.080 0.000 0.973 207 S CB -0.164 63.014 63.200 -0.037 0.000 0.849 207 S HN 0.901 nan 8.310 nan 0.000 0.465 208 N N 1.683 120.329 118.700 -0.089 0.000 2.514 208 N HA 0.084 4.824 4.740 -0.000 0.000 0.277 208 N C -0.209 175.228 175.510 -0.122 0.000 1.126 208 N CA -0.100 52.902 53.050 -0.080 0.000 0.978 208 N CB 0.379 38.841 38.487 -0.042 0.000 1.106 208 N HN 0.010 nan 8.380 nan 0.000 0.461 209 M N 1.006 120.549 119.600 -0.095 0.000 2.719 209 M HA 0.187 4.667 4.480 -0.000 0.000 0.247 209 M C -1.571 174.698 176.300 -0.052 0.000 1.287 209 M CA -2.065 53.176 55.300 -0.099 0.000 1.004 209 M CB -1.195 31.359 32.600 -0.077 0.000 1.514 209 M HN 0.372 nan 8.290 nan 0.000 0.462 210 P HA -0.093 nan 4.420 nan 0.000 0.299 210 P C -0.194 177.200 177.300 0.156 0.000 1.424 210 P CA 0.611 63.768 63.100 0.094 0.000 0.741 210 P CB -0.652 31.174 31.700 0.211 0.000 1.382 211 V N 0.236 120.165 119.914 0.025 0.000 2.284 211 V HA 0.183 4.303 4.120 -0.000 0.000 0.260 211 V C 0.680 176.792 176.094 0.030 0.000 1.084 211 V CA -0.238 62.087 62.300 0.041 0.000 0.894 211 V CB 0.358 32.141 31.823 -0.068 0.000 1.119 211 V HN -0.002 nan 8.190 nan 0.000 0.484 212 E N 5.694 125.922 120.200 0.047 0.000 2.202 212 E HA 0.492 4.842 4.350 -0.000 0.000 0.272 212 E C -2.634 173.953 176.600 -0.021 0.000 0.951 212 E CA -2.200 54.202 56.400 0.003 0.000 0.813 212 E CB 1.489 31.189 29.700 -0.001 0.000 1.151 212 E HN 0.342 nan 8.360 nan 0.000 0.398 213 P HA -0.035 nan 4.420 nan 0.000 0.260 213 P C -0.649 176.599 177.300 -0.087 0.000 1.185 213 P CA 0.759 63.812 63.100 -0.079 0.000 0.763 213 P CB 0.324 31.973 31.700 -0.085 0.000 0.776 214 D N 0.601 120.935 120.400 -0.111 0.000 2.911 214 D HA -0.117 4.522 4.640 -0.000 0.000 0.199 214 D C 0.947 177.197 176.300 -0.084 0.000 1.041 214 D CA 1.528 55.450 54.000 -0.130 0.000 1.013 214 D CB -1.214 39.501 40.800 -0.142 0.000 1.093 214 D HN 0.575 nan 8.370 nan 0.000 0.431 215 G N 0.196 108.963 108.800 -0.055 0.000 2.590 215 G HA2 0.074 4.034 3.960 -0.000 0.000 0.276 215 G HA3 0.074 4.034 3.960 -0.000 0.000 0.276 215 G C 1.200 176.051 174.900 -0.081 0.000 1.337 215 G CA 0.346 45.416 45.100 -0.049 0.000 1.030 215 G HN 0.141 nan 8.290 nan 0.000 0.534 216 N N -0.899 117.702 118.700 -0.166 0.000 2.039 216 N HA -0.159 4.581 4.740 -0.000 0.000 0.193 216 N C 2.009 177.347 175.510 -0.288 0.000 1.044 216 N CA 1.785 54.675 53.050 -0.267 0.000 0.847 216 N CB -0.386 37.850 38.487 -0.418 0.000 1.030 216 N HN 0.571 nan 8.380 nan 0.000 0.422 217 Y N 1.564 121.780 120.300 -0.140 0.000 2.128 217 Y HA -0.187 4.363 4.550 -0.000 0.000 0.284 217 Y C 2.421 178.239 175.900 -0.136 0.000 1.154 217 Y CA 1.235 59.235 58.100 -0.168 0.000 1.149 217 Y CB -0.872 37.521 38.460 -0.111 0.000 0.976 217 Y HN 0.094 nan 8.280 nan 0.000 0.505 218 D N -0.264 120.178 120.400 0.070 0.000 2.104 218 D HA -0.196 4.443 4.640 -0.000 0.000 0.194 218 D C 2.060 178.373 176.300 0.022 0.000 0.994 218 D CA 1.626 55.630 54.000 0.007 0.000 0.830 218 D CB -0.143 40.635 40.800 -0.036 0.000 0.959 218 D HN 0.378 nan 8.370 nan 0.000 0.452 219 Q N -0.540 119.276 119.800 0.025 0.000 2.050 219 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 219 Q C 2.397 178.513 176.000 0.194 0.000 0.980 219 Q CA 1.362 57.259 55.803 0.157 0.000 0.840 219 Q CB -0.053 28.770 28.738 0.142 0.000 0.898 219 Q HN 0.446 nan 8.270 nan 0.000 0.424 220 Q N -0.034 119.756 119.800 -0.018 0.000 2.045 220 Q HA -0.222 4.117 4.340 -0.000 0.000 0.206 220 Q C 2.146 178.153 176.000 0.013 0.000 0.991 220 Q CA 2.237 57.929 55.803 -0.185 0.000 0.851 220 Q CB -0.178 28.107 28.738 -0.756 0.000 0.911 220 Q HN 0.531 nan 8.270 nan 0.000 0.418 221 M N -1.110 118.500 119.600 0.017 0.000 2.236 221 M HA 0.011 4.491 4.480 -0.000 0.000 0.266 221 M C 1.881 178.301 176.300 0.200 0.000 1.070 221 M CA 1.329 56.681 55.300 0.086 0.000 1.137 221 M CB -0.308 32.306 32.600 0.023 0.000 1.378 221 M HN -0.051 nan 8.290 nan 0.000 0.426 222 R N 1.096 121.741 120.500 0.241 0.000 2.105 222 R HA -0.034 4.306 4.340 -0.000 0.000 0.239 222 R C 2.469 179.050 176.300 0.469 0.000 1.135 222 R CA 1.663 57.998 56.100 0.392 0.000 0.967 222 R CB -0.425 30.141 30.300 0.443 0.000 0.861 222 R HN 0.579 nan 8.270 nan 0.000 0.442 223 A N 0.477 123.568 122.820 0.451 0.000 1.970 223 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 223 A C 1.922 179.818 177.584 0.520 0.000 1.170 223 A CA 0.566 52.809 52.037 0.344 0.000 0.645 223 A CB -0.222 18.906 19.000 0.213 0.000 0.816 223 A HN 0.195 nan 8.150 nan 0.000 0.447 224 L N 0.297 121.874 121.223 0.590 0.000 2.005 224 L HA -0.068 4.272 4.340 -0.000 0.000 0.207 224 L C 2.217 179.417 176.870 0.551 0.000 1.072 224 L CA 1.686 56.887 54.840 0.601 0.000 0.744 224 L CB -0.636 41.637 42.059 0.357 0.000 0.895 224 L HN 0.429 nan 8.230 nan 0.000 0.433 225 I N -0.456 120.358 120.570 0.407 0.000 2.087 225 I HA -0.410 3.760 4.170 -0.000 0.000 0.240 225 I C 2.469 178.787 176.117 0.334 0.000 1.054 225 I CA 2.027 63.541 61.300 0.356 0.000 1.311 225 I CB -0.649 37.508 38.000 0.262 0.000 1.024 225 I HN 0.452 nan 8.210 nan 0.000 0.402 226 S N 0.440 116.320 115.700 0.301 0.000 2.453 226 S HA -0.100 4.370 4.470 -0.000 0.000 0.231 226 S C 1.828 176.546 174.600 0.196 0.000 1.005 226 S CA 0.576 58.907 58.200 0.218 0.000 0.949 226 S CB -0.500 62.858 63.200 0.264 0.000 0.774 226 S HN 0.356 nan 8.310 nan 0.000 0.510 227 L N 0.682 122.096 121.223 0.318 0.000 2.044 227 L HA 0.217 4.556 4.340 -0.000 0.000 0.205 227 L C 2.165 179.256 176.870 0.369 0.000 1.075 227 L CA 1.454 56.524 54.840 0.384 0.000 0.747 227 L CB -0.987 41.430 42.059 0.596 0.000 0.903 227 L HN 0.512 nan 8.230 nan 0.000 0.435 228 W N -0.057 121.279 121.300 0.060 0.000 2.354 228 W HA -0.259 4.401 4.660 -0.000 0.000 0.315 228 W C 2.243 178.458 176.519 -0.507 0.000 1.206 228 W CA 1.983 58.984 57.345 -0.573 0.000 1.290 228 W CB -0.541 28.020 29.460 -1.499 0.000 1.152 228 W HN 0.243 nan 8.180 nan 0.000 0.489 229 L N 0.849 121.726 121.223 -0.577 0.000 2.079 229 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 229 L C 2.294 178.856 176.870 -0.513 0.000 1.081 229 L CA 1.944 56.291 54.840 -0.822 0.000 0.752 229 L CB -0.975 40.839 42.059 -0.407 0.000 0.896 229 L HN 0.162 nan 8.230 nan 0.000 0.433 230 L N -1.661 119.394 121.223 -0.280 0.000 2.156 230 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 230 L C 2.380 179.161 176.870 -0.148 0.000 1.095 230 L CA 0.980 55.720 54.840 -0.166 0.000 0.770 230 L CB -0.467 41.569 42.059 -0.037 0.000 0.914 230 L HN 0.219 nan 8.230 nan 0.000 0.439 231 S N -0.905 114.689 115.700 -0.177 0.000 2.345 231 S HA -0.225 4.245 4.470 -0.000 0.000 0.220 231 S C 1.843 176.208 174.600 -0.392 0.000 1.031 231 S CA 1.002 59.137 58.200 -0.108 0.000 0.996 231 S CB -0.543 62.679 63.200 0.037 0.000 0.882 231 S HN 0.336 nan 8.310 nan 0.000 0.445 232 Y N 3.078 122.680 120.300 -1.162 0.000 2.062 232 Y HA -0.265 4.285 4.550 -0.000 0.000 0.276 232 Y C 2.011 177.610 175.900 -0.502 0.000 1.189 232 Y CA 1.987 59.397 58.100 -1.150 0.000 1.130 232 Y CB -0.538 36.922 38.460 -1.667 0.000 0.959 232 Y HN 0.387 nan 8.280 nan 0.000 0.499 233 I N -2.896 117.477 120.570 -0.328 0.000 3.291 233 I HA 0.239 4.408 4.170 -0.000 0.000 0.279 233 I C 1.769 177.741 176.117 -0.242 0.000 1.294 233 I CA 1.051 62.195 61.300 -0.261 0.000 1.428 233 I CB -0.454 37.438 38.000 -0.180 0.000 1.070 233 I HN 0.366 nan 8.210 nan 0.000 0.478 234 G N 1.610 110.289 108.800 -0.203 0.000 2.279 234 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.223 234 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.223 234 G C 0.916 175.825 174.900 0.014 0.000 1.015 234 G CA 0.513 45.524 45.100 -0.149 0.000 0.621 234 G HN 0.618 nan 8.290 nan 0.000 0.506 235 V N -0.799 119.102 119.914 -0.022 0.000 2.667 235 V HA 0.422 4.542 4.120 -0.000 0.000 0.252 235 V C 1.314 177.438 176.094 0.050 0.000 1.065 235 V CA 1.251 63.553 62.300 0.004 0.000 1.083 235 V CB -0.065 31.736 31.823 -0.037 0.000 0.692 235 V HN 0.584 nan 8.190 nan 0.000 0.468 236 V N 3.850 123.813 119.914 0.080 0.000 2.350 236 V HA 0.565 4.685 4.120 -0.000 0.000 0.276 236 V C -0.158 176.078 176.094 0.238 0.000 1.028 236 V CA 0.133 62.513 62.300 0.134 0.000 0.860 236 V CB 0.466 32.380 31.823 0.150 0.000 0.990 236 V HN 0.961 nan 8.190 nan 0.000 0.453 237 N N 3.277 122.071 118.700 0.158 0.000 3.506 237 N HA 0.246 4.986 4.740 -0.000 0.000 0.331 237 N C 0.661 175.933 175.510 -0.397 0.000 1.631 237 N CA -0.719 52.411 53.050 0.134 0.000 0.786 237 N CB 0.542 39.185 38.487 0.260 0.000 2.023 237 N HN 0.203 nan 8.380 nan 0.000 0.621 238 Q N -0.588 118.888 119.800 -0.539 0.000 2.135 238 Q HA -0.121 4.219 4.340 -0.000 0.000 0.204 238 Q C 1.168 176.926 176.000 -0.403 0.000 0.981 238 Q CA 2.660 58.024 55.803 -0.731 0.000 0.856 238 Q CB -0.534 27.996 28.738 -0.347 0.000 0.902 238 Q HN 0.818 nan 8.270 nan 0.000 0.425 239 T N -2.786 111.636 114.554 -0.219 0.000 3.129 239 T HA 0.137 4.487 4.350 -0.000 0.000 0.251 239 T C -0.067 174.570 174.700 -0.105 0.000 1.117 239 T CA 0.273 62.295 62.100 -0.130 0.000 1.034 239 T CB -0.019 68.811 68.868 -0.063 0.000 0.968 239 T HN 0.243 nan 8.240 nan 0.000 0.526 240 N N 1.333 119.958 118.700 -0.124 0.000 2.932 240 N HA 0.255 4.995 4.740 -0.000 0.000 0.242 240 N C -0.816 174.669 175.510 -0.043 0.000 1.351 240 N CA -0.233 52.780 53.050 -0.063 0.000 0.785 240 N CB 1.422 39.900 38.487 -0.016 0.000 1.501 240 N HN 0.422 nan 8.380 nan 0.000 0.584 241 T N -0.723 113.798 114.554 -0.054 0.000 2.937 241 T HA 0.691 5.040 4.350 -0.000 0.000 0.283 241 T C 0.102 174.815 174.700 0.022 0.000 1.012 241 T CA -0.725 61.375 62.100 0.000 0.000 0.997 241 T CB 1.125 69.958 68.868 -0.058 0.000 1.136 241 T HN 0.177 nan 8.240 nan 0.000 0.551 242 I N 1.598 122.213 120.570 0.075 0.000 2.390 242 I HA 0.304 4.473 4.170 -0.000 0.000 0.283 242 I C 0.115 176.278 176.117 0.076 0.000 1.016 242 I CA -0.770 60.561 61.300 0.051 0.000 1.151 242 I CB 1.341 39.370 38.000 0.048 0.000 1.293 242 I HN 0.892 nan 8.210 nan 0.000 0.458 243 S N 4.561 120.266 115.700 0.009 0.000 3.631 243 S HA -0.217 4.253 4.470 -0.000 0.000 0.366 243 S C 1.327 175.814 174.600 -0.188 0.000 0.993 243 S CA 0.821 59.025 58.200 0.007 0.000 1.167 243 S CB -1.222 62.058 63.200 0.133 0.000 0.909 243 S HN 1.338 nan 8.310 nan 0.000 0.478 244 G N -0.910 107.672 108.800 -0.363 0.000 2.245 244 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.264 244 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.264 244 G C -0.048 174.417 174.900 -0.725 0.000 0.985 244 G CA 0.394 44.958 45.100 -0.893 0.000 0.625 244 G HN 0.663 nan 8.290 nan 0.000 0.536 245 F N 1.126 121.054 119.950 -0.037 0.000 2.404 245 F HA 0.710 5.236 4.527 -0.000 0.000 0.345 245 F C 0.553 176.516 175.800 0.273 0.000 1.110 245 F CA -0.669 57.442 58.000 0.185 0.000 1.130 245 F CB 0.924 40.072 39.000 0.247 0.000 1.129 245 F HN 0.373 nan 8.300 nan 0.000 0.500 246 Y N 0.322 120.773 120.300 0.251 0.000 2.689 246 Y HA 0.762 5.311 4.550 -0.000 0.000 0.333 246 Y C -2.162 173.797 175.900 0.100 0.000 1.190 246 Y CA -2.990 55.239 58.100 0.214 0.000 1.063 246 Y CB 0.940 39.526 38.460 0.211 0.000 1.294 246 Y HN 0.341 nan 8.280 nan 0.000 0.466 247 F N 1.028 121.114 119.950 0.227 0.000 2.507 247 F HA 0.652 5.179 4.527 -0.000 0.000 0.325 247 F C 0.153 176.199 175.800 0.409 0.000 1.116 247 F CA -0.614 57.497 58.000 0.185 0.000 0.930 247 F CB 2.328 41.513 39.000 0.308 0.000 1.146 247 F HN 0.608 nan 8.300 nan 0.000 0.447 248 S N 1.977 117.877 115.700 0.334 0.000 2.532 248 S HA 0.665 5.135 4.470 -0.000 0.000 0.301 248 S C -0.908 173.739 174.600 0.079 0.000 1.083 248 S CA -0.435 57.976 58.200 0.351 0.000 1.025 248 S CB 1.580 64.942 63.200 0.271 0.000 1.056 248 S HN 0.561 nan 8.310 nan 0.000 0.494 249 S N 2.238 117.802 115.700 -0.226 0.000 2.500 249 S HA 0.469 4.939 4.470 -0.000 0.000 0.301 249 S C 0.547 175.011 174.600 -0.228 0.000 1.092 249 S CA -0.631 57.259 58.200 -0.517 0.000 1.030 249 S CB 1.309 63.726 63.200 -1.304 0.000 1.031 249 S HN 0.691 nan 8.310 nan 0.000 0.483 250 K N 1.727 122.030 120.400 -0.162 0.000 1.985 250 K HA 0.010 4.330 4.320 -0.000 0.000 0.210 250 K C 1.147 177.722 176.600 -0.041 0.000 1.047 250 K CA 1.721 57.956 56.287 -0.087 0.000 0.932 250 K CB -0.497 31.971 32.500 -0.053 0.000 0.716 250 K HN 0.820 nan 8.250 nan 0.000 0.439 251 T N -1.498 113.021 114.554 -0.058 0.000 2.927 251 T HA 0.628 4.978 4.350 -0.000 0.000 0.281 251 T C -0.589 174.110 174.700 -0.002 0.000 0.998 251 T CA -0.919 61.174 62.100 -0.012 0.000 1.019 251 T CB 1.801 70.633 68.868 -0.060 0.000 1.061 251 T HN -0.024 nan 8.240 nan 0.000 0.518 252 R N -0.260 120.261 120.500 0.034 0.000 2.510 252 R HA 0.569 4.909 4.340 -0.000 0.000 0.294 252 R C 0.491 176.769 176.300 -0.038 0.000 1.056 252 R CA 0.496 56.583 56.100 -0.022 0.000 0.918 252 R CB 0.726 30.965 30.300 -0.102 0.000 1.187 252 R HN 1.413 nan 8.270 nan 0.000 0.437 253 G N 2.856 111.647 108.800 -0.014 0.000 2.130 253 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.216 253 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.216 253 G C -0.360 174.573 174.900 0.056 0.000 0.999 253 G CA 0.491 45.615 45.100 0.039 0.000 0.686 253 G HN 0.771 nan 8.290 nan 0.000 0.515 254 Q N -2.103 117.600 119.800 -0.162 0.000 2.882 254 Q HA 0.834 5.173 4.340 -0.000 0.000 0.315 254 Q C 1.362 176.775 176.000 -0.977 0.000 1.004 254 Q CA 0.041 55.457 55.803 -0.644 0.000 0.777 254 Q CB 0.813 29.350 28.738 -0.336 0.000 1.506 254 Q HN 0.908 nan 8.270 nan 0.000 0.489 255 A N 0.267 122.233 122.820 -1.424 0.000 1.972 255 A HA -0.055 4.264 4.320 -0.000 0.000 0.219 255 A C 1.874 179.281 177.584 -0.295 0.000 1.169 255 A CA 1.355 52.924 52.037 -0.781 0.000 0.635 255 A CB -0.825 17.920 19.000 -0.425 0.000 0.810 255 A HN 0.601 nan 8.150 nan 0.000 0.446 256 L N -0.217 120.856 121.223 -0.250 0.000 2.395 256 L HA -0.021 4.319 4.340 -0.000 0.000 0.218 256 L C -0.148 176.655 176.870 -0.112 0.000 1.130 256 L CA -0.239 54.523 54.840 -0.131 0.000 0.826 256 L CB -0.726 41.270 42.059 -0.105 0.000 0.941 256 L HN 0.153 nan 8.230 nan 0.000 0.451 257 D N 0.780 121.100 120.400 -0.133 0.000 2.730 257 D HA 0.017 4.657 4.640 -0.000 0.000 0.225 257 D C 0.192 176.428 176.300 -0.106 0.000 1.107 257 D CA 0.852 54.767 54.000 -0.143 0.000 0.837 257 D CB 0.427 41.211 40.800 -0.026 0.000 1.171 257 D HN -0.058 nan 8.370 nan 0.000 0.498 258 S N 1.559 117.113 115.700 -0.243 0.000 2.592 258 S HA 0.386 4.856 4.470 -0.000 0.000 0.275 258 S C -1.796 172.703 174.600 -0.168 0.000 1.169 258 S CA -0.824 57.323 58.200 -0.088 0.000 0.958 258 S CB 0.291 63.479 63.200 -0.021 0.000 1.095 258 S HN 0.370 nan 8.310 nan 0.000 0.471 259 W N 3.130 124.546 121.300 0.193 0.000 2.349 259 W HA 0.479 5.139 4.660 -0.000 0.000 0.309 259 W C 0.209 176.881 176.519 0.256 0.000 1.083 259 W CA -0.422 57.070 57.345 0.245 0.000 1.224 259 W CB 1.508 31.137 29.460 0.281 0.000 1.256 259 W HN 0.440 nan 8.180 nan 0.000 0.461 260 T N 3.821 118.526 114.554 0.251 0.000 2.824 260 T HA 0.342 4.692 4.350 -0.000 0.000 0.280 260 T C -0.791 173.706 174.700 -0.338 0.000 0.995 260 T CA -0.812 61.190 62.100 -0.165 0.000 1.009 260 T CB 1.389 69.803 68.868 -0.756 0.000 0.955 260 T HN 0.207 nan 8.240 nan 0.000 0.452 261 L N 4.455 125.431 121.223 -0.412 0.000 2.342 261 L HA 0.428 4.768 4.340 -0.000 0.000 0.285 261 L C -1.210 175.326 176.870 -0.557 0.000 1.095 261 L CA 0.042 54.456 54.840 -0.711 0.000 0.843 261 L CB -1.009 40.717 42.059 -0.555 0.000 1.201 261 L HN 0.442 nan 8.230 nan 0.000 0.445 262 F N 4.510 124.125 119.950 -0.558 0.000 2.535 262 F HA 0.547 5.074 4.527 -0.000 0.000 0.367 262 F C -0.422 175.404 175.800 0.042 0.000 1.096 262 F CA -0.990 56.733 58.000 -0.463 0.000 1.088 262 F CB 0.859 39.480 39.000 -0.632 0.000 1.387 262 F HN 0.323 nan 8.300 nan 0.000 0.494 263 Y N -0.886 119.700 120.300 0.476 0.000 2.521 263 Y HA 0.507 5.056 4.550 -0.000 0.000 0.332 263 Y C -1.199 174.882 175.900 0.301 0.000 1.121 263 Y CA -0.583 57.737 58.100 0.366 0.000 1.037 263 Y CB 1.919 40.568 38.460 0.316 0.000 1.330 263 Y HN 0.556 nan 8.280 nan 0.000 0.452 264 T N 2.817 117.321 114.554 -0.083 0.000 2.916 264 T HA 0.316 4.665 4.350 -0.000 0.000 0.305 264 T C -0.015 174.594 174.700 -0.151 0.000 1.119 264 T CA -0.621 61.464 62.100 -0.024 0.000 1.008 264 T CB 1.962 70.799 68.868 -0.051 0.000 1.129 264 T HN 0.640 nan 8.240 nan 0.000 0.480 265 T N 0.945 115.486 114.554 -0.021 0.000 3.044 265 T HA 0.046 4.396 4.350 -0.000 0.000 0.237 265 T C 1.844 176.519 174.700 -0.043 0.000 1.001 265 T CA 0.289 62.380 62.100 -0.014 0.000 1.160 265 T CB -0.197 68.696 68.868 0.042 0.000 0.889 265 T HN 0.426 nan 8.240 nan 0.000 0.442 266 N N 1.310 119.988 118.700 -0.037 0.000 2.520 266 N HA 0.007 4.747 4.740 -0.000 0.000 0.185 266 N C 0.684 176.158 175.510 -0.061 0.000 1.068 266 N CA 0.533 53.558 53.050 -0.042 0.000 0.911 266 N CB -0.070 38.396 38.487 -0.035 0.000 0.961 266 N HN 0.242 nan 8.380 nan 0.000 0.446 267 T N 0.089 114.591 114.554 -0.088 0.000 2.909 267 T HA 0.065 4.415 4.350 -0.000 0.000 0.289 267 T C -0.047 174.589 174.700 -0.106 0.000 1.005 267 T CA -0.741 61.293 62.100 -0.110 0.000 1.084 267 T CB 0.322 69.094 68.868 -0.160 0.000 0.975 267 T HN 0.075 nan 8.240 nan 0.000 0.509 268 N N 3.292 121.938 118.700 -0.091 0.000 2.357 268 N HA -0.024 4.716 4.740 -0.000 0.000 0.257 268 N C -0.488 174.971 175.510 -0.083 0.000 1.250 268 N CA 0.604 53.610 53.050 -0.074 0.000 0.862 268 N CB 0.264 38.716 38.487 -0.059 0.000 1.066 268 N HN 0.544 nan 8.380 nan 0.000 0.468 269 R N 2.021 122.479 120.500 -0.069 0.000 2.387 269 R HA 0.386 4.726 4.340 -0.000 0.000 0.314 269 R C -0.579 175.698 176.300 -0.038 0.000 0.958 269 R CA -0.815 55.247 56.100 -0.064 0.000 0.846 269 R CB 1.907 32.163 30.300 -0.072 0.000 1.147 269 R HN 0.244 nan 8.270 nan 0.000 0.447 270 V N 2.630 122.527 119.914 -0.027 0.000 2.644 270 V HA 0.218 4.338 4.120 -0.000 0.000 0.295 270 V C -0.586 175.499 176.094 -0.014 0.000 1.053 270 V CA -0.172 62.120 62.300 -0.014 0.000 0.987 270 V CB 1.727 33.548 31.823 -0.003 0.000 1.006 270 V HN 0.648 nan 8.190 nan 0.000 0.472 271 Q N 3.791 123.586 119.800 -0.009 0.000 2.397 271 Q HA 0.614 4.954 4.340 -0.000 0.000 0.275 271 Q C -1.471 174.530 176.000 0.002 0.000 1.090 271 Q CA -0.414 55.382 55.803 -0.011 0.000 0.809 271 Q CB 1.944 30.675 28.738 -0.011 0.000 1.362 271 Q HN 0.654 nan 8.270 nan 0.000 0.431 272 I N 1.820 122.388 120.570 -0.004 0.000 2.336 272 I HA 0.314 4.484 4.170 -0.000 0.000 0.292 272 I C 1.145 177.264 176.117 0.003 0.000 0.991 272 I CA -0.107 61.207 61.300 0.023 0.000 1.227 272 I CB 1.825 39.838 38.000 0.021 0.000 1.366 272 I HN 0.691 nan 8.210 nan 0.000 0.466 273 T N 3.947 118.511 114.554 0.017 0.000 2.643 273 T HA -0.119 4.231 4.350 -0.000 0.000 0.264 273 T C 0.650 175.302 174.700 -0.079 0.000 1.045 273 T CA 1.258 63.347 62.100 -0.018 0.000 1.155 273 T CB -0.145 68.725 68.868 0.002 0.000 0.863 273 T HN 0.765 nan 8.240 nan 0.000 0.420 274 Q N 0.192 119.883 119.800 -0.181 0.000 2.587 274 Q HA 0.481 4.821 4.340 -0.000 0.000 0.293 274 Q C -0.911 174.789 176.000 -0.500 0.000 1.083 274 Q CA -1.057 54.569 55.803 -0.294 0.000 0.792 274 Q CB 1.622 30.192 28.738 -0.280 0.000 1.484 274 Q HN 0.092 nan 8.270 nan 0.000 0.446 275 R N 1.045 121.325 120.500 -0.367 0.000 2.449 275 R HA 0.135 4.475 4.340 -0.000 0.000 0.296 275 R C -0.858 175.121 176.300 -0.535 0.000 1.047 275 R CA 0.177 56.090 56.100 -0.311 0.000 1.018 275 R CB 0.327 30.528 30.300 -0.164 0.000 0.962 275 R HN 0.553 nan 8.270 nan 0.000 0.428 276 H N 4.374 123.285 119.070 -0.266 0.000 2.495 276 H HA 0.265 4.821 4.556 -0.000 0.000 0.348 276 H C -1.210 173.825 175.328 -0.489 0.000 1.113 276 H CA -0.556 55.141 56.048 -0.585 0.000 1.195 276 H CB 1.528 30.497 29.762 -1.323 0.000 1.521 276 H HN 0.473 nan 8.280 nan 0.000 0.509 277 F N 1.750 121.528 119.950 -0.287 0.000 2.556 277 F HA 0.635 5.162 4.527 -0.000 0.000 0.314 277 F C -1.395 174.481 175.800 0.126 0.000 1.106 277 F CA -0.577 57.341 58.000 -0.137 0.000 0.911 277 F CB 1.496 40.338 39.000 -0.262 0.000 1.190 277 F HN 0.642 nan 8.300 nan 0.000 0.448 278 A N 4.146 126.335 122.820 -1.051 0.000 2.515 278 A HA 0.682 5.002 4.320 -0.000 0.000 0.298 278 A C -2.367 174.502 177.584 -1.192 0.000 1.059 278 A CA -0.514 51.000 52.037 -0.871 0.000 0.698 278 A CB 0.852 19.724 19.000 -0.213 0.000 1.289 278 A HN 0.632 nan 8.150 nan 0.000 0.404 279 Y N 0.876 120.908 120.300 -0.448 0.000 2.350 279 Y HA 0.493 5.043 4.550 -0.000 0.000 0.340 279 Y C 0.026 175.943 175.900 0.029 0.000 1.006 279 Y CA -0.669 57.369 58.100 -0.103 0.000 1.166 279 Y CB 1.619 40.168 38.460 0.149 0.000 1.168 279 Y HN 0.345 nan 8.280 nan 0.000 0.502 280 V N 4.209 124.250 119.914 0.211 0.000 2.483 280 V HA 0.399 4.519 4.120 -0.000 0.000 0.297 280 V C -0.215 176.082 176.094 0.338 0.000 1.027 280 V CA -1.068 61.365 62.300 0.222 0.000 0.855 280 V CB 1.102 32.999 31.823 0.125 0.000 0.995 280 V HN 0.973 nan 8.190 nan 0.000 0.424 281 C N 2.889 122.378 119.300 0.316 0.000 2.399 281 C HA 0.967 5.427 4.460 -0.000 0.000 0.348 281 C C 0.599 175.730 174.990 0.235 0.000 1.183 281 C CA -0.844 58.370 59.018 0.327 0.000 2.023 281 C CB 1.088 28.879 27.740 0.085 0.000 2.361 281 C HN 1.077 nan 8.230 nan 0.000 0.521 282 A N 1.864 124.656 122.820 -0.046 0.000 2.302 282 A HA 0.475 4.795 4.320 -0.000 0.000 0.295 282 A C 1.337 178.725 177.584 -0.326 0.000 1.235 282 A CA -0.449 51.227 52.037 -0.603 0.000 0.876 282 A CB 0.077 18.337 19.000 -1.234 0.000 1.133 282 A HN 1.081 nan 8.150 nan 0.000 0.533 283 R N 2.428 122.782 120.500 -0.243 0.000 2.057 283 R HA -0.059 4.281 4.340 -0.000 0.000 0.229 283 R C 0.974 177.135 176.300 -0.232 0.000 1.136 283 R CA 1.604 57.596 56.100 -0.180 0.000 0.952 283 R CB -0.162 30.063 30.300 -0.125 0.000 0.848 283 R HN 0.770 nan 8.270 nan 0.000 0.430 284 S N 0.212 115.739 115.700 -0.288 0.000 2.584 284 S HA 0.247 4.717 4.470 -0.000 0.000 0.273 284 S C -2.078 172.152 174.600 -0.617 0.000 1.311 284 S CA -1.474 56.410 58.200 -0.525 0.000 1.034 284 S CB 1.625 64.584 63.200 -0.401 0.000 0.939 284 S HN 0.056 nan 8.310 nan 0.000 0.513 285 P HA -0.056 nan 4.420 nan 0.000 0.226 285 P C 0.638 177.380 177.300 -0.930 0.000 1.153 285 P CA 0.896 63.286 63.100 -1.183 0.000 0.777 285 P CB -0.200 30.271 31.700 -2.049 0.000 0.794 286 D N -0.857 119.162 120.400 -0.636 0.000 2.392 286 D HA -0.198 4.442 4.640 -0.000 0.000 0.228 286 D C 1.658 177.830 176.300 -0.215 0.000 1.003 286 D CA 0.289 54.117 54.000 -0.286 0.000 0.917 286 D CB -1.525 39.296 40.800 0.035 0.000 0.890 286 D HN 0.427 nan 8.370 nan 0.000 0.532 287 W N 1.456 122.577 121.300 -0.299 0.000 2.331 287 W HA -0.153 4.507 4.660 -0.000 0.000 0.291 287 W C 0.905 177.364 176.519 -0.099 0.000 1.214 287 W CA 0.480 57.678 57.345 -0.244 0.000 1.228 287 W CB -1.048 28.197 29.460 -0.360 0.000 1.135 287 W HN -0.096 nan 8.180 nan 0.000 0.537 288 N N 1.346 119.397 118.700 -1.083 0.000 2.272 288 N HA -0.146 4.594 4.740 -0.000 0.000 0.185 288 N C 1.613 176.903 175.510 -0.367 0.000 1.014 288 N CA 1.776 54.163 53.050 -1.105 0.000 0.870 288 N CB -0.120 37.638 38.487 -1.215 0.000 0.975 288 N HN 0.194 nan 8.380 nan 0.000 0.433 289 V N 0.232 120.028 119.914 -0.198 0.000 3.578 289 V HA 0.064 4.184 4.120 -0.000 0.000 0.290 289 V C -0.259 175.959 176.094 0.206 0.000 1.376 289 V CA 0.048 62.402 62.300 0.089 0.000 1.083 289 V CB 0.183 32.082 31.823 0.128 0.000 0.911 289 V HN -0.022 nan 8.190 nan 0.000 0.433 290 D N 0.630 121.165 120.400 0.224 0.000 2.411 290 D HA 0.186 4.826 4.640 -0.000 0.000 0.225 290 D C 0.997 177.513 176.300 0.360 0.000 1.156 290 D CA -0.053 54.152 54.000 0.341 0.000 0.874 290 D CB 1.436 42.476 40.800 0.401 0.000 1.034 290 D HN 0.319 nan 8.370 nan 0.000 0.502 291 K N 0.938 121.521 120.400 0.305 0.000 2.228 291 K HA -0.003 4.317 4.320 -0.000 0.000 0.202 291 K C 1.807 178.523 176.600 0.194 0.000 1.051 291 K CA 0.481 56.910 56.287 0.236 0.000 0.960 291 K CB 0.358 32.973 32.500 0.191 0.000 0.743 291 K HN 0.163 nan 8.250 nan 0.000 0.458 292 S N 0.563 116.396 115.700 0.221 0.000 2.395 292 S HA -0.094 4.376 4.470 -0.000 0.000 0.225 292 S C 1.314 175.707 174.600 -0.344 0.000 1.027 292 S CA 0.298 58.484 58.200 -0.024 0.000 0.965 292 S CB -0.207 62.968 63.200 -0.041 0.000 0.812 292 S HN 0.446 nan 8.310 nan 0.000 0.482 293 W N 2.313 123.534 121.300 -0.132 0.000 2.338 293 W HA -0.066 4.594 4.660 -0.000 0.000 0.304 293 W C 1.608 178.123 176.519 -0.007 0.000 1.212 293 W CA 1.040 58.361 57.345 -0.039 0.000 1.264 293 W CB -0.398 29.151 29.460 0.148 0.000 1.142 293 W HN 0.263 nan 8.180 nan 0.000 0.512 294 I N 0.634 121.389 120.570 0.309 0.000 2.353 294 I HA -0.234 3.935 4.170 -0.000 0.000 0.248 294 I C 2.702 178.859 176.117 0.066 0.000 1.119 294 I CA 1.223 62.674 61.300 0.252 0.000 1.417 294 I CB -0.886 37.312 38.000 0.331 0.000 1.078 294 I HN -0.146 nan 8.210 nan 0.000 0.421 295 A N 0.881 123.695 122.820 -0.010 0.000 1.883 295 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 295 A C 2.516 179.989 177.584 -0.185 0.000 1.186 295 A CA 2.094 54.056 52.037 -0.125 0.000 0.624 295 A CB -0.942 17.921 19.000 -0.229 0.000 0.822 295 A HN 0.423 nan 8.150 nan 0.000 0.444 296 A N -0.531 122.147 122.820 -0.237 0.000 2.015 296 A HA 0.239 4.559 4.320 -0.000 0.000 0.219 296 A C 2.378 179.849 177.584 -0.190 0.000 1.163 296 A CA 1.796 53.690 52.037 -0.238 0.000 0.646 296 A CB -0.780 17.953 19.000 -0.446 0.000 0.806 296 A HN 1.074 nan 8.150 nan 0.000 0.448 297 A N -0.145 122.565 122.820 -0.183 0.000 2.066 297 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 297 A C 1.923 179.503 177.584 -0.007 0.000 1.157 297 A CA 1.266 53.255 52.037 -0.079 0.000 0.670 297 A CB -0.472 18.517 19.000 -0.018 0.000 0.804 297 A HN 0.630 nan 8.150 nan 0.000 0.453 298 N N 0.026 118.717 118.700 -0.014 0.000 2.220 298 N HA -0.007 4.732 4.740 -0.000 0.000 0.182 298 N C 1.738 177.242 175.510 -0.011 0.000 1.023 298 N CA 1.069 54.122 53.050 0.004 0.000 0.856 298 N CB -0.211 38.278 38.487 0.003 0.000 0.997 298 N HN 0.409 nan 8.380 nan 0.000 0.429 299 L N 1.174 122.373 121.223 -0.040 0.000 1.971 299 L HA -0.213 4.127 4.340 -0.000 0.000 0.215 299 L C 2.372 179.243 176.870 0.002 0.000 1.072 299 L CA 1.428 56.251 54.840 -0.028 0.000 0.758 299 L CB -1.344 40.694 42.059 -0.035 0.000 0.889 299 L HN 0.166 nan 8.230 nan 0.000 0.433 300 T N 0.001 114.575 114.554 0.034 0.000 2.751 300 T HA -0.296 4.054 4.350 -0.000 0.000 0.268 300 T C 1.873 176.620 174.700 0.078 0.000 1.045 300 T CA 1.587 63.746 62.100 0.099 0.000 1.142 300 T CB -0.300 68.656 68.868 0.146 0.000 0.851 300 T HN 0.531 nan 8.240 nan 0.000 0.474 301 A N 0.728 123.579 122.820 0.051 0.000 1.898 301 A HA 0.047 4.366 4.320 -0.000 0.000 0.216 301 A C 2.270 179.862 177.584 0.013 0.000 1.181 301 A CA 1.077 53.139 52.037 0.042 0.000 0.620 301 A CB -0.562 18.460 19.000 0.036 0.000 0.819 301 A HN 0.552 nan 8.150 nan 0.000 0.442 302 I N -0.508 120.059 120.570 -0.006 0.000 2.252 302 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 302 I C 2.312 178.401 176.117 -0.047 0.000 1.102 302 I CA 0.855 62.141 61.300 -0.024 0.000 1.385 302 I CB -0.381 37.595 38.000 -0.041 0.000 1.064 302 I HN 0.125 nan 8.210 nan 0.000 0.414 303 V N 0.792 120.657 119.914 -0.083 0.000 2.287 303 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 303 V C 2.379 178.331 176.094 -0.236 0.000 1.053 303 V CA 2.090 64.270 62.300 -0.201 0.000 1.027 303 V CB -0.464 31.169 31.823 -0.317 0.000 0.646 303 V HN 0.412 nan 8.190 nan 0.000 0.447 304 M N -0.707 118.819 119.600 -0.123 0.000 2.492 304 M HA 0.048 4.527 4.480 -0.000 0.000 0.262 304 M C 2.103 178.432 176.300 0.049 0.000 1.090 304 M CA 1.217 56.507 55.300 -0.016 0.000 1.110 304 M CB -0.289 32.405 32.600 0.156 0.000 1.407 304 M HN 0.380 nan 8.290 nan 0.000 0.470 305 A N 0.125 122.981 122.820 0.061 0.000 1.930 305 A HA -0.123 4.197 4.320 -0.000 0.000 0.215 305 A C 2.299 179.945 177.584 0.104 0.000 1.176 305 A CA 1.318 53.461 52.037 0.176 0.000 0.632 305 A CB -1.027 18.090 19.000 0.195 0.000 0.819 305 A HN 0.736 nan 8.150 nan 0.000 0.445 306 C N 0.008 119.322 119.300 0.024 0.000 2.448 306 C HA 0.258 4.718 4.460 -0.000 0.000 0.280 306 C C 1.403 176.366 174.990 -0.046 0.000 1.398 306 C CA 0.332 59.346 59.018 -0.007 0.000 1.774 306 C CB -1.360 26.365 27.740 -0.026 0.000 1.888 306 C HN 0.645 nan 8.230 nan 0.000 0.519 307 R N 0.037 120.499 120.500 -0.062 0.000 2.939 307 R HA 0.489 4.828 4.340 -0.000 0.000 0.254 307 R C -1.074 175.179 176.300 -0.078 0.000 1.123 307 R CA -0.523 55.529 56.100 -0.079 0.000 1.020 307 R CB 0.449 30.694 30.300 -0.092 0.000 1.206 307 R HN 0.182 nan 8.270 nan 0.000 0.491 308 Q N 1.912 121.664 119.800 -0.081 0.000 2.390 308 Q HA 0.349 4.689 4.340 -0.000 0.000 0.249 308 Q C -2.084 173.878 176.000 -0.063 0.000 0.996 308 Q CA -1.742 54.019 55.803 -0.069 0.000 0.899 308 Q CB 1.669 30.359 28.738 -0.079 0.000 1.216 308 Q HN 0.476 nan 8.270 nan 0.000 0.465 309 P HA 0.425 nan 4.420 nan 0.000 0.284 309 P C -2.563 174.658 177.300 -0.132 0.000 1.287 309 P CA -1.992 61.093 63.100 -0.025 0.000 0.824 309 P CB -0.078 31.708 31.700 0.144 0.000 1.180 310 P HA 0.004 nan 4.420 nan 0.000 0.266 310 P C -0.458 176.722 177.300 -0.200 0.000 1.193 310 P CA 0.260 63.177 63.100 -0.304 0.000 0.770 310 P CB 0.082 31.442 31.700 -0.566 0.000 0.836 311 V N 4.673 124.489 119.914 -0.164 0.000 2.455 311 V HA 0.077 4.197 4.120 -0.000 0.000 0.273 311 V C 0.502 176.508 176.094 -0.146 0.000 1.045 311 V CA -0.050 62.148 62.300 -0.171 0.000 0.976 311 V CB -0.816 30.956 31.823 -0.084 0.000 0.993 311 V HN 0.361 nan 8.190 nan 0.000 0.475 312 F N 3.170 123.009 119.950 -0.186 0.000 2.629 312 F HA 0.246 4.772 4.527 -0.000 0.000 0.369 312 F C 1.146 176.894 175.800 -0.086 0.000 1.125 312 F CA 0.332 58.220 58.000 -0.186 0.000 1.330 312 F CB 0.310 39.034 39.000 -0.459 0.000 1.071 312 F HN 0.595 nan 8.300 nan 0.000 0.595 313 A N 3.629 126.557 122.820 0.180 0.000 2.524 313 A HA 0.062 4.382 4.320 -0.000 0.000 0.250 313 A C 1.423 179.051 177.584 0.074 0.000 1.078 313 A CA -0.516 51.580 52.037 0.098 0.000 0.761 313 A CB -0.073 18.970 19.000 0.073 0.000 1.012 313 A HN 0.827 nan 8.150 nan 0.000 0.500 314 N N 1.283 120.015 118.700 0.053 0.000 2.133 314 N HA -0.239 4.500 4.740 -0.000 0.000 0.193 314 N C 1.800 177.320 175.510 0.017 0.000 1.012 314 N CA 2.161 55.235 53.050 0.041 0.000 0.871 314 N CB -0.166 38.344 38.487 0.038 0.000 1.011 314 N HN 0.914 nan 8.380 nan 0.000 0.435 315 Q N -1.435 118.372 119.800 0.011 0.000 2.403 315 Q HA 0.175 4.515 4.340 -0.000 0.000 0.203 315 Q C 1.459 177.446 176.000 -0.023 0.000 0.932 315 Q CA 0.766 56.567 55.803 -0.004 0.000 0.945 315 Q CB 0.018 28.755 28.738 -0.001 0.000 1.045 315 Q HN 0.174 nan 8.270 nan 0.000 0.511 316 G N 1.310 110.095 108.800 -0.025 0.000 2.813 316 G HA2 0.202 4.162 3.960 -0.000 0.000 0.209 316 G HA3 0.202 4.162 3.960 -0.000 0.000 0.209 316 G C 0.456 175.260 174.900 -0.160 0.000 1.150 316 G CA 0.618 45.680 45.100 -0.064 0.000 0.785 316 G HN 0.287 nan 8.290 nan 0.000 0.535 317 V N -1.585 118.250 119.914 -0.132 0.000 3.102 317 V HA 0.739 4.859 4.120 -0.000 0.000 0.312 317 V C 0.182 176.231 176.094 -0.076 0.000 1.135 317 V CA -1.952 60.254 62.300 -0.158 0.000 1.022 317 V CB 1.789 33.506 31.823 -0.176 0.000 1.056 317 V HN 0.288 nan 8.190 nan 0.000 0.436 318 I N -0.064 120.465 120.570 -0.070 0.000 2.938 318 I HA 0.289 4.459 4.170 -0.000 0.000 0.285 318 I C 1.460 177.577 176.117 0.001 0.000 1.182 318 I CA -0.008 61.280 61.300 -0.019 0.000 1.388 318 I CB 0.100 38.112 38.000 0.019 0.000 1.390 318 I HN 0.748 nan 8.210 nan 0.000 0.600 319 N N 2.201 120.916 118.700 0.025 0.000 2.091 319 N HA -0.252 4.488 4.740 -0.000 0.000 0.193 319 N C 1.437 176.990 175.510 0.073 0.000 1.021 319 N CA 2.111 55.187 53.050 0.043 0.000 0.862 319 N CB -0.113 38.398 38.487 0.041 0.000 1.018 319 N HN 0.698 nan 8.380 nan 0.000 0.429 320 Q N -0.214 119.649 119.800 0.105 0.000 2.472 320 Q HA 0.148 4.488 4.340 -0.000 0.000 0.208 320 Q C 1.218 177.304 176.000 0.142 0.000 0.958 320 Q CA 0.527 56.441 55.803 0.185 0.000 0.932 320 Q CB 0.242 29.132 28.738 0.253 0.000 1.007 320 Q HN 0.304 nan 8.270 nan 0.000 0.508 321 A N -0.200 122.565 122.820 -0.091 0.000 2.345 321 A HA 0.114 4.434 4.320 -0.000 0.000 0.225 321 A C 0.212 177.887 177.584 0.153 0.000 1.243 321 A CA -0.242 51.635 52.037 -0.265 0.000 0.875 321 A CB 0.244 18.842 19.000 -0.670 0.000 0.929 321 A HN 0.209 nan 8.150 nan 0.000 0.502 322 Q N 0.496 120.374 119.800 0.129 0.000 2.259 322 Q HA 0.278 4.617 4.340 -0.000 0.000 0.246 322 Q C -0.470 175.597 176.000 0.111 0.000 0.920 322 Q CA -0.692 55.182 55.803 0.117 0.000 0.895 322 Q CB 0.512 29.294 28.738 0.074 0.000 1.220 322 Q HN 0.410 nan 8.270 nan 0.000 0.439 323 N N 1.291 120.040 118.700 0.081 0.000 2.783 323 N HA -0.168 4.572 4.740 -0.000 0.000 0.247 323 N C -1.146 174.351 175.510 -0.022 0.000 1.089 323 N CA 0.686 53.757 53.050 0.035 0.000 0.690 323 N CB -0.697 37.810 38.487 0.035 0.000 0.991 323 N HN 0.460 nan 8.380 nan 0.000 0.552 324 R N 1.131 121.596 120.500 -0.059 0.000 2.246 324 R HA 0.418 4.757 4.340 -0.000 0.000 0.332 324 R C -2.585 173.613 176.300 -0.172 0.000 0.974 324 R CA -1.762 54.165 56.100 -0.289 0.000 0.837 324 R CB 0.737 30.580 30.300 -0.763 0.000 1.145 324 R HN -0.126 nan 8.270 nan 0.000 0.467 325 P HA 0.044 nan 4.420 nan 0.000 0.255 325 P C 0.350 177.609 177.300 -0.067 0.000 1.173 325 P CA 1.432 64.479 63.100 -0.088 0.000 0.780 325 P CB 0.649 32.297 31.700 -0.087 0.000 0.758 326 G N 2.213 110.998 108.800 -0.024 0.000 2.234 326 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.235 326 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.235 326 G C 0.482 175.418 174.900 0.060 0.000 0.997 326 G CA 0.165 45.263 45.100 -0.003 0.000 0.623 326 G HN 0.504 nan 8.290 nan 0.000 0.514 327 F N 2.055 121.959 119.950 -0.076 0.000 2.539 327 F HA 0.536 5.063 4.527 -0.000 0.000 0.277 327 F C 1.312 177.192 175.800 0.133 0.000 0.925 327 F CA 1.610 59.623 58.000 0.020 0.000 1.193 327 F CB 0.403 39.355 39.000 -0.080 0.000 1.128 327 F HN 0.530 nan 8.300 nan 0.000 0.740 328 S N 1.272 117.052 115.700 0.135 0.000 2.632 328 S HA 0.769 5.239 4.470 -0.000 0.000 0.289 328 S C -0.733 173.906 174.600 0.064 0.000 1.115 328 S CA -0.511 57.745 58.200 0.094 0.000 0.889 328 S CB 2.373 65.710 63.200 0.228 0.000 1.116 328 S HN 0.422 nan 8.310 nan 0.000 0.486 329 M N 0.370 120.001 119.600 0.052 0.000 2.605 329 M HA 0.508 4.988 4.480 -0.000 0.000 0.281 329 M C -1.768 174.551 176.300 0.033 0.000 1.166 329 M CA -0.780 54.539 55.300 0.032 0.000 0.875 329 M CB 1.421 34.029 32.600 0.013 0.000 1.732 329 M HN 0.531 nan 8.290 nan 0.000 0.504 330 N N 1.346 120.061 118.700 0.025 0.000 2.412 330 N HA 0.434 5.174 4.740 -0.000 0.000 0.254 330 N C 0.723 176.244 175.510 0.019 0.000 1.232 330 N CA 2.516 55.579 53.050 0.022 0.000 0.880 330 N CB 0.762 39.260 38.487 0.018 0.000 1.076 330 N HN 0.982 nan 8.380 nan 0.000 0.458 331 G N 1.822 110.635 108.800 0.020 0.000 2.509 331 G HA2 0.105 4.065 3.960 -0.000 0.000 0.259 331 G HA3 0.105 4.065 3.960 -0.000 0.000 0.259 331 G C 0.185 175.101 174.900 0.027 0.000 1.169 331 G CA 0.081 45.193 45.100 0.020 0.000 0.953 331 G HN 1.557 nan 8.290 nan 0.000 0.563 332 G N -2.902 105.913 108.800 0.024 0.000 2.733 332 G HA2 0.338 4.298 3.960 -0.000 0.000 0.686 332 G HA3 0.338 4.298 3.960 -0.000 0.000 0.686 332 G C 0.032 174.967 174.900 0.059 0.000 1.373 332 G CA 0.420 45.539 45.100 0.032 0.000 0.838 332 G HN 2.132 nan 8.290 nan 0.000 0.588 333 T N 4.327 118.928 114.554 0.079 0.000 2.792 333 T HA 0.399 4.749 4.350 -0.000 0.000 0.286 333 T C -1.417 173.395 174.700 0.187 0.000 0.970 333 T CA 0.421 62.607 62.100 0.143 0.000 1.187 333 T CB 0.767 69.747 68.868 0.186 0.000 0.915 333 T HN 0.636 nan 8.240 nan 0.000 0.529 334 P HA 0.126 nan 4.420 nan 0.000 0.268 334 P C -0.544 176.735 177.300 -0.035 0.000 1.205 334 P CA -0.344 62.736 63.100 -0.034 0.000 0.771 334 P CB 0.559 32.145 31.700 -0.191 0.000 0.858 335 V N 4.579 124.480 119.914 -0.023 0.000 2.353 335 V HA 0.127 4.247 4.120 -0.000 0.000 0.264 335 V C 0.636 176.666 176.094 -0.106 0.000 1.049 335 V CA -0.292 62.034 62.300 0.043 0.000 0.896 335 V CB -0.927 30.931 31.823 0.058 0.000 1.025 335 V HN 0.531 nan 8.190 nan 0.000 0.475 336 H N 3.047 122.178 119.070 0.102 0.000 2.615 336 H HA 0.468 5.024 4.556 -0.000 0.000 0.363 336 H C 0.361 175.723 175.328 0.057 0.000 1.148 336 H CA -0.245 55.833 56.048 0.051 0.000 1.401 336 H CB 0.826 30.593 29.762 0.008 0.000 1.461 336 H HN 0.797 nan 8.280 nan 0.000 0.588 337 E N 2.351 122.641 120.200 0.151 0.000 2.266 337 E HA 0.492 4.841 4.350 -0.000 0.000 0.268 337 E C -1.444 175.188 176.600 0.052 0.000 0.879 337 E CA -0.868 55.577 56.400 0.076 0.000 0.762 337 E CB 1.815 31.525 29.700 0.017 0.000 1.199 337 E HN 0.370 nan 8.360 nan 0.000 0.422 338 L N 2.781 124.009 121.223 0.009 0.000 2.319 338 L HA 0.352 4.692 4.340 -0.000 0.000 0.281 338 L C -0.135 176.667 176.870 -0.114 0.000 1.005 338 L CA -1.062 53.759 54.840 -0.031 0.000 0.828 338 L CB 1.642 43.717 42.059 0.026 0.000 1.227 338 L HN 0.642 nan 8.230 nan 0.000 0.415 339 N N 4.076 122.735 118.700 -0.069 0.000 2.431 339 N HA 0.094 4.834 4.740 -0.000 0.000 0.265 339 N C 0.836 176.317 175.510 -0.048 0.000 1.184 339 N CA -0.038 52.973 53.050 -0.064 0.000 0.943 339 N CB 1.144 39.620 38.487 -0.018 0.000 1.080 339 N HN 0.669 nan 8.380 nan 0.000 0.477 340 L N 3.381 124.569 121.223 -0.058 0.000 2.275 340 L HA -0.149 4.191 4.340 -0.000 0.000 0.215 340 L C 2.112 178.997 176.870 0.026 0.000 1.119 340 L CA 0.661 55.501 54.840 0.001 0.000 0.790 340 L CB -0.226 41.844 42.059 0.018 0.000 0.919 340 L HN 0.535 nan 8.230 nan 0.000 0.443 341 L N -0.915 120.334 121.223 0.044 0.000 2.127 341 L HA -0.054 4.286 4.340 -0.000 0.000 0.203 341 L C 2.412 179.276 176.870 -0.010 0.000 1.080 341 L CA 1.503 56.367 54.840 0.040 0.000 0.768 341 L CB -0.490 41.614 42.059 0.076 0.000 0.924 341 L HN 0.005 nan 8.230 nan 0.000 0.444 342 T N -0.439 114.109 114.554 -0.010 0.000 2.665 342 T HA -0.212 4.137 4.350 -0.000 0.000 0.268 342 T C 1.708 176.362 174.700 -0.076 0.000 1.035 342 T CA 2.183 64.263 62.100 -0.034 0.000 1.151 342 T CB -0.803 68.052 68.868 -0.021 0.000 0.862 342 T HN 0.462 nan 8.240 nan 0.000 0.438 343 T N 1.724 116.225 114.554 -0.088 0.000 2.849 343 T HA -0.048 4.302 4.350 -0.000 0.000 0.270 343 T C 2.302 176.848 174.700 -0.258 0.000 1.066 343 T CA 1.114 63.119 62.100 -0.158 0.000 1.130 343 T CB -0.452 68.342 68.868 -0.123 0.000 0.864 343 T HN 0.489 nan 8.240 nan 0.000 0.481 344 A N 1.388 124.084 122.820 -0.206 0.000 1.874 344 A HA -0.068 4.252 4.320 -0.000 0.000 0.214 344 A C 2.283 179.746 177.584 -0.201 0.000 1.189 344 A CA 1.081 52.986 52.037 -0.220 0.000 0.615 344 A CB -0.567 18.367 19.000 -0.109 0.000 0.830 344 A HN 0.505 nan 8.150 nan 0.000 0.443 345 Q N -0.449 119.274 119.800 -0.129 0.000 2.135 345 Q HA -0.187 4.152 4.340 -0.000 0.000 0.204 345 Q C 1.842 177.761 176.000 -0.135 0.000 0.981 345 Q CA 1.495 57.235 55.803 -0.106 0.000 0.856 345 Q CB -0.126 28.573 28.738 -0.064 0.000 0.902 345 Q HN 0.568 nan 8.270 nan 0.000 0.425 346 E N -0.020 120.086 120.200 -0.156 0.000 2.112 346 E HA -0.121 4.229 4.350 -0.000 0.000 0.190 346 E C 2.082 178.538 176.600 -0.239 0.000 0.979 346 E CA 0.606 56.908 56.400 -0.162 0.000 0.814 346 E CB -0.420 29.198 29.700 -0.137 0.000 0.762 346 E HN 0.358 nan 8.360 nan 0.000 0.460 347 C N 0.731 119.823 119.300 -0.346 0.000 2.446 347 C HA -0.030 4.430 4.460 -0.000 0.000 0.277 347 C C 2.702 177.194 174.990 -0.830 0.000 1.275 347 C CA 0.228 58.921 59.018 -0.543 0.000 1.727 347 C CB -1.100 26.279 27.740 -0.602 0.000 2.010 347 C HN 0.309 nan 8.230 nan 0.000 0.486 348 I N 0.646 120.824 120.570 -0.655 0.000 2.163 348 I HA -0.199 3.971 4.170 -0.000 0.000 0.243 348 I C 2.949 178.967 176.117 -0.164 0.000 1.085 348 I CA 1.908 62.946 61.300 -0.437 0.000 1.347 348 I CB -0.677 37.213 38.000 -0.183 0.000 1.044 348 I HN 0.355 nan 8.210 nan 0.000 0.408 349 R N 0.607 121.020 120.500 -0.145 0.000 2.139 349 R HA -0.212 4.128 4.340 -0.000 0.000 0.243 349 R C 2.183 178.464 176.300 -0.031 0.000 1.145 349 R CA 1.382 57.445 56.100 -0.062 0.000 0.976 349 R CB -0.048 30.210 30.300 -0.071 0.000 0.866 349 R HN 0.422 nan 8.270 nan 0.000 0.449 350 Q N -1.062 118.683 119.800 -0.091 0.000 2.369 350 Q HA -0.155 4.185 4.340 -0.000 0.000 0.206 350 Q C 1.488 177.590 176.000 0.170 0.000 0.963 350 Q CA 0.797 56.594 55.803 -0.011 0.000 0.894 350 Q CB 0.080 28.778 28.738 -0.066 0.000 0.965 350 Q HN 0.473 nan 8.270 nan 0.000 0.475 351 W N -0.207 121.102 121.300 0.015 0.000 2.523 351 W HA 0.018 4.678 4.660 -0.000 0.000 0.278 351 W C 2.079 178.605 176.519 0.011 0.000 1.236 351 W CA -0.172 57.187 57.345 0.022 0.000 1.306 351 W CB -0.802 28.680 29.460 0.037 0.000 1.101 351 W HN -0.115 nan 8.180 nan 0.000 0.577 352 V N 0.679 120.724 119.914 0.218 0.000 2.283 352 V HA -0.317 3.803 4.120 -0.000 0.000 0.243 352 V C 2.328 178.473 176.094 0.084 0.000 1.039 352 V CA 1.806 64.179 62.300 0.121 0.000 1.016 352 V CB -0.942 30.929 31.823 0.080 0.000 0.650 352 V HN 0.012 nan 8.190 nan 0.000 0.449 353 M N -0.187 119.455 119.600 0.071 0.000 2.144 353 M HA -0.245 4.235 4.480 -0.000 0.000 0.260 353 M C 2.269 178.600 176.300 0.052 0.000 1.067 353 M CA 2.226 57.554 55.300 0.047 0.000 1.095 353 M CB -0.517 32.102 32.600 0.032 0.000 1.365 353 M HN 0.462 nan 8.290 nan 0.000 0.406 354 A N -0.687 122.182 122.820 0.082 0.000 1.898 354 A HA 0.139 4.459 4.320 -0.000 0.000 0.216 354 A C 1.812 179.421 177.584 0.042 0.000 1.181 354 A CA 1.643 53.720 52.037 0.066 0.000 0.620 354 A CB -0.754 18.308 19.000 0.102 0.000 0.819 354 A HN 0.660 nan 8.150 nan 0.000 0.442 355 G N -2.551 106.282 108.800 0.055 0.000 2.138 355 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.193 355 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.193 355 G C 0.406 175.314 174.900 0.012 0.000 0.998 355 G CA 0.320 45.438 45.100 0.030 0.000 0.668 355 G HN 0.340 nan 8.290 nan 0.000 0.516 356 L N 0.291 121.525 121.223 0.019 0.000 2.418 356 L HA 0.418 4.757 4.340 -0.000 0.000 0.218 356 L C 1.480 178.317 176.870 -0.055 0.000 1.125 356 L CA 1.474 56.279 54.840 -0.057 0.000 0.835 356 L CB 0.311 42.276 42.059 -0.157 0.000 0.953 356 L HN 0.836 nan 8.230 nan 0.000 0.454 357 V N -5.340 114.594 119.914 0.033 0.000 3.007 357 V HA 0.623 4.743 4.120 -0.000 0.000 0.311 357 V C 0.165 176.291 176.094 0.053 0.000 1.120 357 V CA -1.259 61.069 62.300 0.045 0.000 0.980 357 V CB 1.350 33.238 31.823 0.109 0.000 1.033 357 V HN 0.030 nan 8.190 nan 0.000 0.429 358 S N 1.907 117.629 115.700 0.036 0.000 2.554 358 S HA 0.286 4.756 4.470 -0.000 0.000 0.290 358 S C 1.538 176.164 174.600 0.044 0.000 1.309 358 S CA 0.185 58.405 58.200 0.032 0.000 1.047 358 S CB 0.851 64.065 63.200 0.024 0.000 0.828 358 S HN 1.783 nan 8.310 nan 0.000 0.509 359 A N 1.640 124.480 122.820 0.035 0.000 2.070 359 A HA 0.124 4.443 4.320 -0.000 0.000 0.220 359 A C 2.054 179.657 177.584 0.032 0.000 1.159 359 A CA 1.423 53.481 52.037 0.034 0.000 0.656 359 A CB -0.796 18.219 19.000 0.025 0.000 0.800 359 A HN 1.006 nan 8.150 nan 0.000 0.453 360 A N -0.667 122.170 122.820 0.029 0.000 2.085 360 A HA 0.193 4.513 4.320 -0.000 0.000 0.208 360 A C 1.897 179.499 177.584 0.031 0.000 1.191 360 A CA 1.111 53.163 52.037 0.026 0.000 0.799 360 A CB -0.160 18.851 19.000 0.019 0.000 0.877 360 A HN 0.463 nan 8.150 nan 0.000 0.473 361 K N 0.165 120.588 120.400 0.037 0.000 2.148 361 K HA -0.034 4.286 4.320 -0.000 0.000 0.204 361 K C 1.719 178.359 176.600 0.066 0.000 1.050 361 K CA 1.433 57.748 56.287 0.046 0.000 0.942 361 K CB -0.438 32.089 32.500 0.044 0.000 0.724 361 K HN 0.298 nan 8.250 nan 0.000 0.446 362 G N -0.093 108.751 108.800 0.074 0.000 2.484 362 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.218 362 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.218 362 G C 1.379 176.310 174.900 0.052 0.000 1.130 362 G CA 0.081 45.233 45.100 0.087 0.000 0.784 362 G HN 0.208 nan 8.290 nan 0.000 0.543 363 Q N 0.206 120.028 119.800 0.038 0.000 2.250 363 Q HA 0.284 4.624 4.340 -0.000 0.000 0.200 363 Q C 2.821 178.836 176.000 0.024 0.000 0.941 363 Q CA 0.932 56.750 55.803 0.024 0.000 0.872 363 Q CB -0.271 28.479 28.738 0.019 0.000 0.965 363 Q HN 0.382 nan 8.270 nan 0.000 0.480 364 A N 0.555 123.392 122.820 0.029 0.000 1.902 364 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 364 A C 2.175 179.779 177.584 0.033 0.000 1.181 364 A CA 1.010 53.064 52.037 0.028 0.000 0.623 364 A CB -0.687 18.330 19.000 0.028 0.000 0.818 364 A HN 0.337 nan 8.150 nan 0.000 0.443 365 L N -0.737 120.513 121.223 0.045 0.000 2.017 365 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 365 L C 2.718 179.605 176.870 0.029 0.000 1.073 365 L CA 1.871 56.741 54.840 0.051 0.000 0.745 365 L CB -0.770 41.345 42.059 0.093 0.000 0.894 365 L HN 0.342 nan 8.230 nan 0.000 0.432 366 T N -1.562 113.003 114.554 0.019 0.000 2.929 366 T HA -0.227 4.122 4.350 -0.000 0.000 0.271 366 T C 1.743 176.452 174.700 0.015 0.000 1.085 366 T CA 0.993 63.097 62.100 0.006 0.000 1.125 366 T CB -0.055 68.811 68.868 -0.003 0.000 0.874 366 T HN 0.193 nan 8.240 nan 0.000 0.494 367 Q N 1.425 121.237 119.800 0.020 0.000 2.062 367 Q HA -0.047 4.293 4.340 -0.000 0.000 0.196 367 Q C 2.174 178.195 176.000 0.035 0.000 0.967 367 Q CA 1.380 57.196 55.803 0.022 0.000 0.832 367 Q CB -0.063 28.687 28.738 0.019 0.000 0.899 367 Q HN 0.655 nan 8.270 nan 0.000 0.442 368 E N -0.439 119.784 120.200 0.038 0.000 2.208 368 E HA -0.078 4.272 4.350 -0.000 0.000 0.193 368 E C 1.801 178.452 176.600 0.086 0.000 0.988 368 E CA 0.797 57.228 56.400 0.051 0.000 0.828 368 E CB -0.182 29.534 29.700 0.027 0.000 0.763 368 E HN 0.372 nan 8.360 nan 0.000 0.478 369 A N 2.541 125.402 122.820 0.068 0.000 1.840 369 A HA -0.173 4.147 4.320 -0.000 0.000 0.214 369 A C 1.977 179.631 177.584 0.117 0.000 1.198 369 A CA 1.358 53.453 52.037 0.097 0.000 0.608 369 A CB -0.470 18.555 19.000 0.042 0.000 0.839 369 A HN 0.086 nan 8.150 nan 0.000 0.443 370 N N 0.725 119.460 118.700 0.058 0.000 2.205 370 N HA -0.135 4.605 4.740 -0.000 0.000 0.186 370 N C 1.058 176.580 175.510 0.019 0.000 1.015 370 N CA 1.588 54.653 53.050 0.026 0.000 0.862 370 N CB -0.430 38.060 38.487 0.005 0.000 0.986 370 N HN 0.456 nan 8.380 nan 0.000 0.429 371 D N -0.324 120.107 120.400 0.050 0.000 2.123 371 D HA -0.065 4.575 4.640 -0.000 0.000 0.200 371 D C 1.625 177.966 176.300 0.069 0.000 0.976 371 D CA 0.365 54.391 54.000 0.044 0.000 0.831 371 D CB -0.379 40.455 40.800 0.058 0.000 0.974 371 D HN 0.199 nan 8.370 nan 0.000 0.469 372 F N 1.047 120.987 119.950 -0.016 0.000 2.234 372 F HA -0.113 4.414 4.527 -0.000 0.000 0.299 372 F C 2.340 178.129 175.800 -0.020 0.000 1.087 372 F CA 1.110 59.107 58.000 -0.006 0.000 1.340 372 F CB -0.126 38.883 39.000 0.014 0.000 1.031 372 F HN -0.158 nan 8.300 nan 0.000 0.500 373 S N 0.055 115.697 115.700 -0.098 0.000 2.428 373 S HA -0.133 4.336 4.470 -0.000 0.000 0.230 373 S C 1.879 176.286 174.600 -0.322 0.000 1.014 373 S CA 1.192 59.263 58.200 -0.215 0.000 0.957 373 S CB -0.506 62.660 63.200 -0.057 0.000 0.784 373 S HN 0.470 nan 8.310 nan 0.000 0.499 374 N N 1.587 120.142 118.700 -0.241 0.000 2.244 374 N HA -0.010 4.730 4.740 -0.000 0.000 0.183 374 N C 1.714 177.068 175.510 -0.260 0.000 1.016 374 N CA 0.885 53.783 53.050 -0.253 0.000 0.866 374 N CB -0.523 37.870 38.487 -0.156 0.000 0.980 374 N HN 0.422 nan 8.380 nan 0.000 0.430 375 L N 0.420 121.492 121.223 -0.252 0.000 2.056 375 L HA -0.058 4.282 4.340 -0.000 0.000 0.207 375 L C 1.836 178.542 176.870 -0.272 0.000 1.078 375 L CA 0.874 55.580 54.840 -0.224 0.000 0.749 375 L CB -0.034 41.907 42.059 -0.196 0.000 0.901 375 L HN 0.015 nan 8.230 nan 0.000 0.433 376 I N -0.254 120.061 120.570 -0.426 0.000 2.286 376 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 376 I C 2.442 178.416 176.117 -0.238 0.000 1.104 376 I CA 1.242 62.326 61.300 -0.360 0.000 1.397 376 I CB -1.083 36.600 38.000 -0.528 0.000 1.072 376 I HN 0.478 nan 8.210 nan 0.000 0.417 377 Q N 1.084 120.622 119.800 -0.437 0.000 2.061 377 Q HA -0.216 4.124 4.340 -0.000 0.000 0.204 377 Q C 2.282 178.117 176.000 -0.274 0.000 0.984 377 Q CA 2.499 57.898 55.803 -0.672 0.000 0.846 377 Q CB -0.026 27.979 28.738 -1.222 0.000 0.902 377 Q HN 0.453 nan 8.270 nan 0.000 0.421 378 A N 0.721 123.404 122.820 -0.230 0.000 1.902 378 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 378 A C 1.838 179.403 177.584 -0.031 0.000 1.181 378 A CA 1.727 53.693 52.037 -0.118 0.000 0.623 378 A CB -0.629 18.303 19.000 -0.113 0.000 0.818 378 A HN 0.503 nan 8.150 nan 0.000 0.443 379 D N -0.023 120.366 120.400 -0.020 0.000 2.077 379 D HA -0.086 4.553 4.640 -0.000 0.000 0.196 379 D C 2.048 178.414 176.300 0.109 0.000 0.986 379 D CA 1.257 55.290 54.000 0.054 0.000 0.829 379 D CB -0.254 40.598 40.800 0.086 0.000 0.983 379 D HN 0.400 nan 8.370 nan 0.000 0.453 380 L N 0.837 122.113 121.223 0.089 0.000 2.081 380 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 380 L C 2.609 179.677 176.870 0.329 0.000 1.080 380 L CA 1.413 56.343 54.840 0.151 0.000 0.754 380 L CB -0.697 41.382 42.059 0.032 0.000 0.893 380 L HN 0.094 nan 8.230 nan 0.000 0.433 381 G N -1.269 107.703 108.800 0.287 0.000 2.422 381 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.218 381 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.218 381 G C 1.531 176.497 174.900 0.110 0.000 1.146 381 G CA 0.175 45.417 45.100 0.237 0.000 0.769 381 G HN 0.269 nan 8.290 nan 0.000 0.547 382 Q N 0.277 120.129 119.800 0.087 0.000 2.020 382 Q HA -0.045 4.295 4.340 -0.000 0.000 0.202 382 Q C 2.764 178.805 176.000 0.068 0.000 0.982 382 Q CA 0.999 56.837 55.803 0.059 0.000 0.838 382 Q CB -0.404 28.367 28.738 0.055 0.000 0.899 382 Q HN 0.573 nan 8.270 nan 0.000 0.423 383 I N 0.997 121.633 120.570 0.111 0.000 2.194 383 I HA -0.322 3.847 4.170 -0.000 0.000 0.246 383 I C 2.620 178.783 176.117 0.077 0.000 1.093 383 I CA 1.407 62.781 61.300 0.123 0.000 1.355 383 I CB -0.320 37.790 38.000 0.183 0.000 1.046 383 I HN 0.205 nan 8.210 nan 0.000 0.413 384 K N 1.323 121.746 120.400 0.038 0.000 2.002 384 K HA -0.204 4.116 4.320 -0.000 0.000 0.209 384 K C 2.245 178.784 176.600 -0.103 0.000 1.048 384 K CA 1.625 57.829 56.287 -0.139 0.000 0.930 384 K CB -0.183 32.058 32.500 -0.433 0.000 0.714 384 K HN 0.280 nan 8.250 nan 0.000 0.438 385 A N 1.028 123.813 122.820 -0.057 0.000 1.877 385 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 385 A C 2.074 179.633 177.584 -0.042 0.000 1.186 385 A CA 1.690 53.698 52.037 -0.048 0.000 0.620 385 A CB -0.578 18.407 19.000 -0.025 0.000 0.822 385 A HN 0.515 nan 8.150 nan 0.000 0.443 386 Q N -0.707 119.080 119.800 -0.023 0.000 2.020 386 Q HA -0.162 4.178 4.340 -0.000 0.000 0.198 386 Q C 1.726 177.681 176.000 -0.074 0.000 0.974 386 Q CA 1.419 57.196 55.803 -0.042 0.000 0.829 386 Q CB -0.266 28.469 28.738 -0.006 0.000 0.894 386 Q HN 0.567 nan 8.270 nan 0.000 0.433 387 D N 0.768 121.183 120.400 0.025 0.000 2.133 387 D HA -0.164 4.475 4.640 -0.000 0.000 0.195 387 D C 1.389 177.730 176.300 0.068 0.000 0.997 387 D CA 1.273 55.355 54.000 0.137 0.000 0.840 387 D CB -0.246 40.671 40.800 0.195 0.000 0.947 387 D HN 0.164 nan 8.370 nan 0.000 0.452 388 D N -0.248 120.154 120.400 0.003 0.000 2.097 388 D HA -0.079 4.561 4.640 -0.000 0.000 0.195 388 D C 1.980 178.300 176.300 0.033 0.000 0.989 388 D CA 1.479 55.487 54.000 0.014 0.000 0.827 388 D CB -0.369 40.402 40.800 -0.047 0.000 0.966 388 D HN 0.176 nan 8.370 nan 0.000 0.456 389 A N 0.293 123.089 122.820 -0.040 0.000 1.873 389 A HA -0.069 4.251 4.320 -0.000 0.000 0.215 389 A C 2.357 179.865 177.584 -0.126 0.000 1.186 389 A CA 0.824 52.821 52.037 -0.066 0.000 0.616 389 A CB -0.767 18.186 19.000 -0.079 0.000 0.823 389 A HN 0.199 nan 8.150 nan 0.000 0.442 390 L N -2.081 118.978 121.223 -0.274 0.000 2.093 390 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 390 L C 2.563 179.234 176.870 -0.332 0.000 1.085 390 L CA 1.647 56.184 54.840 -0.505 0.000 0.755 390 L CB -0.569 40.770 42.059 -1.199 0.000 0.904 390 L HN 0.623 nan 8.230 nan 0.000 0.435 391 Y N 1.119 121.296 120.300 -0.205 0.000 2.145 391 Y HA -0.319 4.231 4.550 -0.000 0.000 0.286 391 Y C 2.516 178.431 175.900 0.024 0.000 1.145 391 Y CA 2.128 60.271 58.100 0.072 0.000 1.148 391 Y CB -0.176 38.375 38.460 0.152 0.000 0.981 391 Y HN 0.235 nan 8.280 nan 0.000 0.507 392 N N -0.387 118.318 118.700 0.009 0.000 2.223 392 N HA -0.177 4.562 4.740 -0.000 0.000 0.185 392 N C 1.479 176.917 175.510 -0.119 0.000 1.016 392 N CA 1.988 55.001 53.050 -0.061 0.000 0.863 392 N CB -0.076 38.433 38.487 0.037 0.000 0.983 392 N HN 0.584 nan 8.380 nan 0.000 0.429 393 Q N -1.813 117.919 119.800 -0.113 0.000 2.423 393 Q HA 0.115 4.455 4.340 -0.000 0.000 0.231 393 Q C -0.070 175.872 176.000 -0.096 0.000 0.894 393 Q CA 0.127 55.873 55.803 -0.095 0.000 0.938 393 Q CB 0.575 29.265 28.738 -0.081 0.000 1.079 393 Q HN 0.179 nan 8.270 nan 0.000 0.552 394 Q N 1.959 121.695 119.800 -0.107 0.000 2.431 394 Q HA 0.256 4.596 4.340 -0.000 0.000 0.249 394 Q C -2.579 173.406 176.000 -0.025 0.000 1.025 394 Q CA -2.527 53.242 55.803 -0.056 0.000 0.835 394 Q CB 1.124 29.834 28.738 -0.046 0.000 1.207 394 Q HN -0.115 nan 8.270 nan 0.000 0.490 395 P HA 0.147 nan 4.420 nan 0.000 0.265 395 P C 0.424 177.728 177.300 0.007 0.000 1.193 395 P CA 0.983 64.059 63.100 -0.040 0.000 0.765 395 P CB 0.819 32.498 31.700 -0.036 0.000 0.823 396 G N 1.409 110.215 108.800 0.010 0.000 2.176 396 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.253 396 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.253 396 G C -0.052 174.865 174.900 0.028 0.000 0.979 396 G CA -0.336 44.777 45.100 0.021 0.000 0.641 396 G HN 0.563 nan 8.290 nan 0.000 0.530 397 Y N 1.748 122.028 120.300 -0.033 0.000 2.620 397 Y HA 0.420 4.970 4.550 -0.000 0.000 0.330 397 Y C 0.627 176.549 175.900 0.038 0.000 1.186 397 Y CA -0.050 58.054 58.100 0.007 0.000 1.467 397 Y CB 0.548 39.029 38.460 0.034 0.000 1.262 397 Y HN 0.650 nan 8.280 nan 0.000 0.550 398 A N 8.037 130.366 122.820 -0.817 0.000 2.252 398 A HA 0.492 4.812 4.320 -0.000 0.000 0.309 398 A C -0.112 177.031 177.584 -0.735 0.000 1.285 398 A CA -0.860 50.817 52.037 -0.599 0.000 0.900 398 A CB 0.227 18.969 19.000 -0.430 0.000 1.157 398 A HN 0.899 nan 8.150 nan 0.000 0.536 399 R N 1.459 121.827 120.500 -0.220 0.000 2.491 399 R HA 0.184 4.524 4.340 -0.000 0.000 0.283 399 R C 0.712 177.051 176.300 0.065 0.000 1.072 399 R CA -0.021 56.102 56.100 0.037 0.000 1.048 399 R CB 0.788 31.210 30.300 0.204 0.000 0.983 399 R HN 0.799 nan 8.270 nan 0.000 0.450 400 R N 2.008 122.562 120.500 0.091 0.000 2.189 400 R HA 0.158 4.497 4.340 -0.000 0.000 0.203 400 R C 0.830 177.216 176.300 0.143 0.000 1.012 400 R CA 0.743 56.901 56.100 0.097 0.000 1.015 400 R CB 0.119 30.479 30.300 0.100 0.000 0.938 400 R HN 0.563 nan 8.270 nan 0.000 0.472 401 I N -3.268 117.357 120.570 0.092 0.000 3.174 401 I HA 0.387 4.557 4.170 -0.000 0.000 0.313 401 I C -0.934 174.956 176.117 -0.377 0.000 1.155 401 I CA -1.419 59.869 61.300 -0.019 0.000 0.977 401 I CB 1.879 39.850 38.000 -0.049 0.000 1.248 401 I HN -0.275 nan 8.210 nan 0.000 0.453 402 K N 2.308 122.358 120.400 -0.583 0.000 2.448 402 K HA 0.279 4.599 4.320 -0.000 0.000 0.278 402 K C -2.306 174.084 176.600 -0.350 0.000 1.009 402 K CA -1.009 54.715 56.287 -0.938 0.000 0.995 402 K CB 0.314 32.670 32.500 -0.240 0.000 0.917 402 K HN 0.375 nan 8.250 nan 0.000 0.481 403 P HA 0.020 nan 4.420 nan 0.000 0.267 403 P C -0.971 176.337 177.300 0.014 0.000 1.200 403 P CA 0.158 63.165 63.100 -0.154 0.000 0.772 403 P CB 0.244 31.853 31.700 -0.152 0.000 0.855 404 F N 0.219 120.106 119.950 -0.105 0.000 2.692 404 F HA 0.745 5.272 4.527 -0.000 0.000 0.320 404 F C -1.190 174.567 175.800 -0.071 0.000 1.123 404 F CA -1.534 56.408 58.000 -0.097 0.000 0.961 404 F CB 0.707 39.622 39.000 -0.141 0.000 1.383 404 F HN 0.204 nan 8.300 nan 0.000 0.483 405 V N -0.345 119.666 119.914 0.161 0.000 2.815 405 V HA 0.480 4.600 4.120 -0.000 0.000 0.314 405 V C 0.269 176.505 176.094 0.238 0.000 1.064 405 V CA -0.823 61.521 62.300 0.073 0.000 0.952 405 V CB 1.455 33.301 31.823 0.037 0.000 1.020 405 V HN 0.906 nan 8.190 nan 0.000 0.439 406 N N 2.877 121.694 118.700 0.196 0.000 2.205 406 N HA -0.111 4.629 4.740 -0.000 0.000 0.186 406 N C 1.853 177.542 175.510 0.298 0.000 1.015 406 N CA 1.808 55.066 53.050 0.347 0.000 0.862 406 N CB -0.356 38.279 38.487 0.247 0.000 0.986 406 N HN 1.008 nan 8.380 nan 0.000 0.429 407 G N 1.563 110.458 108.800 0.157 0.000 2.475 407 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.220 407 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.220 407 G C 1.008 175.944 174.900 0.061 0.000 1.125 407 G CA 0.814 45.978 45.100 0.106 0.000 0.755 407 G HN 0.234 nan 8.290 nan 0.000 0.565 408 D N -0.087 120.299 120.400 -0.022 0.000 2.362 408 D HA -0.118 4.522 4.640 -0.000 0.000 0.215 408 D C 1.725 177.874 176.300 -0.251 0.000 0.978 408 D CA 0.603 54.496 54.000 -0.179 0.000 0.921 408 D CB -0.270 40.348 40.800 -0.303 0.000 0.895 408 D HN 0.714 nan 8.370 nan 0.000 0.494 409 W N 0.974 122.266 121.300 -0.012 0.000 2.576 409 W HA -0.012 4.648 4.660 -0.000 0.000 0.270 409 W C 1.320 177.821 176.519 -0.030 0.000 1.255 409 W CA 0.341 57.663 57.345 -0.038 0.000 1.314 409 W CB -0.295 29.149 29.460 -0.027 0.000 1.101 409 W HN -0.164 nan 8.180 nan 0.000 0.595 410 T N -1.476 113.187 114.554 0.182 0.000 2.855 410 T HA -0.005 4.345 4.350 -0.000 0.000 0.322 410 T C -1.528 173.208 174.700 0.061 0.000 1.088 410 T CA -1.037 61.124 62.100 0.102 0.000 1.104 410 T CB 0.984 69.893 68.868 0.068 0.000 0.996 410 T HN -0.224 nan 8.240 nan 0.000 0.549 411 P HA 0.038 nan 4.420 nan 0.000 0.218 411 P C 1.431 178.736 177.300 0.008 0.000 1.148 411 P CA 1.646 64.758 63.100 0.020 0.000 0.822 411 P CB -0.725 30.983 31.700 0.014 0.000 0.784 412 G N -0.187 108.620 108.800 0.012 0.000 2.632 412 G HA2 -0.352 3.607 3.960 -0.000 0.000 0.322 412 G HA3 -0.352 3.607 3.960 -0.000 0.000 0.322 412 G C 0.473 175.379 174.900 0.011 0.000 1.326 412 G CA 0.735 45.840 45.100 0.008 0.000 0.986 412 G HN 0.240 nan 8.290 nan 0.000 0.541 413 M N 1.707 121.316 119.600 0.016 0.000 2.866 413 M HA 0.243 4.722 4.480 -0.000 0.000 0.231 413 M C 2.093 178.411 176.300 0.031 0.000 1.302 413 M CA 0.987 56.305 55.300 0.030 0.000 1.083 413 M CB -0.185 32.446 32.600 0.050 0.000 1.499 413 M HN 0.521 nan 8.290 nan 0.000 0.451 414 T N -0.231 114.329 114.554 0.010 0.000 2.684 414 T HA -0.189 4.161 4.350 -0.000 0.000 0.267 414 T C 1.981 176.672 174.700 -0.015 0.000 1.036 414 T CA 1.765 63.863 62.100 -0.003 0.000 1.148 414 T CB -0.153 68.706 68.868 -0.014 0.000 0.863 414 T HN 0.616 nan 8.240 nan 0.000 0.436 415 A N 1.316 124.127 122.820 -0.015 0.000 1.877 415 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 415 A C 2.315 179.879 177.584 -0.032 0.000 1.186 415 A CA 1.805 53.826 52.037 -0.027 0.000 0.620 415 A CB -0.809 18.180 19.000 -0.019 0.000 0.822 415 A HN 0.430 nan 8.150 nan 0.000 0.443 416 Q N -0.060 119.736 119.800 -0.006 0.000 2.062 416 Q HA -0.169 4.171 4.340 -0.000 0.000 0.209 416 Q C 2.351 178.305 176.000 -0.077 0.000 0.996 416 Q CA 2.324 58.125 55.803 -0.003 0.000 0.859 416 Q CB -0.741 28.044 28.738 0.079 0.000 0.920 416 Q HN 0.668 nan 8.270 nan 0.000 0.415 417 A N 0.114 122.901 122.820 -0.055 0.000 1.908 417 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 417 A C 2.109 179.574 177.584 -0.199 0.000 1.181 417 A CA 1.405 53.349 52.037 -0.154 0.000 0.627 417 A CB -0.760 18.230 19.000 -0.016 0.000 0.818 417 A HN 0.352 nan 8.150 nan 0.000 0.445 418 L N -0.960 120.185 121.223 -0.130 0.000 2.093 418 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 418 L C 3.111 179.891 176.870 -0.150 0.000 1.085 418 L CA 0.951 55.708 54.840 -0.139 0.000 0.755 418 L CB -0.564 41.434 42.059 -0.102 0.000 0.904 418 L HN 0.446 nan 8.230 nan 0.000 0.435 419 A N -0.179 122.566 122.820 -0.125 0.000 1.877 419 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 419 A C 2.341 179.844 177.584 -0.135 0.000 1.186 419 A CA 1.854 53.827 52.037 -0.106 0.000 0.620 419 A CB -0.868 18.089 19.000 -0.071 0.000 0.822 419 A HN 0.173 nan 8.150 nan 0.000 0.443 420 V N -0.012 119.783 119.914 -0.198 0.000 2.255 420 V HA -0.276 3.843 4.120 -0.000 0.000 0.247 420 V C 2.562 178.495 176.094 -0.268 0.000 1.051 420 V CA 2.096 64.260 62.300 -0.227 0.000 1.018 420 V CB -0.800 30.764 31.823 -0.431 0.000 0.641 420 V HN 0.565 nan 8.190 nan 0.000 0.445 421 L N -0.006 120.962 121.223 -0.424 0.000 2.191 421 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 421 L C 2.619 179.312 176.870 -0.296 0.000 1.103 421 L CA 1.293 55.784 54.840 -0.581 0.000 0.769 421 L CB -0.675 41.084 42.059 -0.500 0.000 0.908 421 L HN 0.364 nan 8.230 nan 0.000 0.438 422 A N -0.243 122.468 122.820 -0.181 0.000 1.933 422 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 422 A C 2.404 179.946 177.584 -0.070 0.000 1.175 422 A CA 2.120 54.094 52.037 -0.105 0.000 0.628 422 A CB -0.885 18.064 19.000 -0.086 0.000 0.814 422 A HN 0.493 nan 8.150 nan 0.000 0.444 423 T N -4.084 110.430 114.554 -0.067 0.000 3.118 423 T HA 0.026 4.375 4.350 -0.000 0.000 0.260 423 T C 1.069 175.612 174.700 -0.261 0.000 1.139 423 T CA 0.515 62.555 62.100 -0.100 0.000 1.085 423 T CB -0.597 68.222 68.868 -0.082 0.000 0.934 423 T HN 0.161 nan 8.240 nan 0.000 0.518 424 F N 1.786 121.460 119.950 -0.460 0.000 2.773 424 F HA 0.220 4.747 4.527 -0.000 0.000 0.299 424 F C 2.270 177.929 175.800 -0.235 0.000 1.204 424 F CA 0.144 57.846 58.000 -0.497 0.000 1.454 424 F CB -0.641 38.231 39.000 -0.213 0.000 1.117 424 F HN 0.266 nan 8.300 nan 0.000 0.590 425 T N -1.552 112.977 114.554 -0.040 0.000 2.959 425 T HA 0.462 4.812 4.350 -0.000 0.000 0.254 425 T C 1.040 175.756 174.700 0.026 0.000 1.003 425 T CA 0.373 62.483 62.100 0.016 0.000 0.950 425 T CB -0.057 68.819 68.868 0.012 0.000 1.090 425 T HN 0.098 nan 8.240 nan 0.000 0.503 426 A N 0.000 122.819 122.820 -0.002 0.000 2.254 426 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 426 A CA 0.000 52.074 52.037 0.062 0.000 0.836 426 A CB 0.000 19.015 19.000 0.025 0.000 0.831 426 A HN 0.000 nan 8.150 nan 0.000 0.486