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 3l2g_1_P DATA FIRST_RESID 9 DATA SEQUENCE FVKNRVGHSK PWESGKFKAA DNFPDLSKHN NVMASQLTKE LYEKYWDKVT DATA SEQUENCE PNGVTFDKCI QTGVDNPGNK FYGKKTGCVF GDEYSYECYK EFFDKCIEEI DATA SEQUENCE HHFKPSDKHP APDLDHNKLV GGVFEDKYVK SCRIRCGRSV KGVCLPPAMS DATA SEQUENCE RAERRLVEKV VSDALGGLKG DLAGKYYPLT TMNEKDQEQL IEDHFLFEKP DATA SEQUENCE TGALLTTSGC ARDWPDGRGI WHNNEKNFLV WINEEDHIRV ISMQKGGDLK DATA SEQUENCE AVFSRFARGL LEVERLMKEC GHGLMHNDRL GYICTCPTNM GTVVRASVHL DATA SEQUENCE RLAFLEKHPR FDEMLGKLRL GKRGTGGESS LATDSTYDIS NWARLGKSER DATA SEQUENCE ELVQVLVDGV NLLIACDKKL EAGQSIDDMI PK 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 9 F HA 0.000 nan 4.527 nan 0.000 0.279 9 F C 0.000 175.824 175.800 0.040 0.000 0.967 9 F CA 0.000 58.019 58.000 0.032 0.000 1.383 9 F CB 0.000 39.018 39.000 0.029 0.000 1.145 10 V N 2.632 122.550 119.914 0.008 0.000 2.273 10 V HA -0.246 3.874 4.120 -0.000 0.000 0.242 10 V C 2.035 178.102 176.094 -0.045 0.000 1.035 10 V CA 2.308 64.546 62.300 -0.104 0.000 1.013 10 V CB -0.753 31.047 31.823 -0.038 0.000 0.652 10 V HN 0.342 nan 8.190 nan 0.000 0.452 11 K N 1.097 121.507 120.400 0.017 0.000 2.574 11 K HA -0.043 4.277 4.320 -0.000 0.000 0.193 11 K C 0.258 176.897 176.600 0.065 0.000 1.035 11 K CA 1.053 57.366 56.287 0.044 0.000 0.982 11 K CB -0.317 32.217 32.500 0.056 0.000 0.795 11 K HN 0.459 nan 8.250 nan 0.000 0.491 12 N N 1.753 120.486 118.700 0.054 0.000 2.696 12 N HA 0.053 4.793 4.740 -0.000 0.000 0.308 12 N C -0.014 175.520 175.510 0.040 0.000 1.915 12 N CA -0.156 52.939 53.050 0.075 0.000 0.906 12 N CB 1.134 39.688 38.487 0.111 0.000 1.284 12 N HN 0.293 nan 8.380 nan 0.000 0.488 13 R N 0.202 120.692 120.500 -0.015 0.000 2.127 13 R HA 0.060 4.400 4.340 -0.000 0.000 0.217 13 R C 1.001 177.313 176.300 0.020 0.000 1.074 13 R CA 0.832 56.889 56.100 -0.072 0.000 0.991 13 R CB 0.148 30.393 30.300 -0.091 0.000 0.895 13 R HN -0.032 nan 8.270 nan 0.000 0.450 14 V N 0.482 120.426 119.914 0.049 0.000 2.548 14 V HA 0.053 4.173 4.120 -0.000 0.000 0.249 14 V C 1.497 177.719 176.094 0.214 0.000 1.055 14 V CA 1.359 63.692 62.300 0.056 0.000 1.065 14 V CB -0.616 31.183 31.823 -0.040 0.000 0.681 14 V HN 0.693 nan 8.190 nan 0.000 0.462 15 G N -0.256 108.673 108.800 0.215 0.000 2.147 15 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.244 15 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.244 15 G C 0.031 175.106 174.900 0.293 0.000 1.005 15 G CA 0.377 45.621 45.100 0.240 0.000 0.713 15 G HN 0.633 nan 8.290 nan 0.000 0.515 16 H N -0.398 118.688 119.070 0.026 0.000 2.754 16 H HA 0.611 5.167 4.556 -0.000 0.000 0.352 16 H C 0.667 175.973 175.328 -0.038 0.000 1.213 16 H CA -0.322 55.731 56.048 0.007 0.000 1.244 16 H CB 1.617 31.394 29.762 0.024 0.000 1.843 16 H HN 0.398 nan 8.280 nan 0.000 0.587 17 S N 0.885 116.626 115.700 0.068 0.000 2.531 17 S HA 0.109 4.579 4.470 -0.000 0.000 0.279 17 S C -0.244 174.247 174.600 -0.181 0.000 1.305 17 S CA -0.720 57.451 58.200 -0.047 0.000 1.058 17 S CB 0.288 63.475 63.200 -0.021 0.000 0.899 17 S HN 0.464 nan 8.310 nan 0.000 0.493 18 K N 4.252 124.381 120.400 -0.452 0.000 2.257 18 K HA 0.268 4.588 4.320 -0.000 0.000 0.270 18 K C -1.869 174.166 176.600 -0.941 0.000 1.098 18 K CA -2.049 53.517 56.287 -1.201 0.000 0.943 18 K CB 0.839 32.348 32.500 -1.651 0.000 1.316 18 K HN 0.536 nan 8.250 nan 0.000 0.447 19 P HA -0.126 nan 4.420 nan 0.000 0.239 19 P C 0.150 177.600 177.300 0.250 0.000 1.184 19 P CA 0.617 63.808 63.100 0.152 0.000 0.760 19 P CB -0.025 31.908 31.700 0.388 0.000 0.884 20 W N 1.250 122.524 121.300 -0.044 0.000 2.872 20 W HA 0.175 4.835 4.660 -0.000 0.000 0.266 20 W C 1.775 178.217 176.519 -0.128 0.000 1.276 20 W CA 0.347 57.520 57.345 -0.287 0.000 1.471 20 W CB -1.024 27.686 29.460 -1.250 0.000 1.071 20 W HN -0.007 nan 8.180 nan 0.000 0.619 21 E N 0.625 120.627 120.200 -0.331 0.000 2.021 21 E HA -0.119 4.231 4.350 -0.000 0.000 0.189 21 E C 2.004 178.582 176.600 -0.036 0.000 0.980 21 E CA 1.484 57.812 56.400 -0.120 0.000 0.803 21 E CB -1.029 28.523 29.700 -0.246 0.000 0.766 21 E HN 0.106 nan 8.360 nan 0.000 0.449 22 S N -0.455 115.205 115.700 -0.066 0.000 2.515 22 S HA 0.088 4.558 4.470 -0.000 0.000 0.231 22 S C 1.223 175.803 174.600 -0.033 0.000 0.987 22 S CA 0.886 59.061 58.200 -0.042 0.000 0.936 22 S CB -0.390 62.777 63.200 -0.055 0.000 0.766 22 S HN 0.679 nan 8.310 nan 0.000 0.528 23 G N 1.645 110.443 108.800 -0.003 0.000 2.171 23 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.238 23 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.238 23 G C 0.344 175.199 174.900 -0.075 0.000 1.039 23 G CA 0.444 45.555 45.100 0.018 0.000 0.759 23 G HN 0.640 nan 8.290 nan 0.000 0.501 24 K N -1.079 119.164 120.400 -0.261 0.000 2.358 24 K HA 0.543 4.863 4.320 -0.000 0.000 0.200 24 K C -0.155 176.106 176.600 -0.565 0.000 1.030 24 K CA -0.198 55.793 56.287 -0.492 0.000 1.097 24 K CB 0.569 32.616 32.500 -0.754 0.000 0.862 24 K HN 0.235 nan 8.250 nan 0.000 0.534 25 F N 2.489 122.548 119.950 0.181 0.000 2.499 25 F HA 0.404 4.931 4.527 -0.000 0.000 0.333 25 F C -0.193 175.797 175.800 0.316 0.000 1.138 25 F CA -1.423 56.713 58.000 0.227 0.000 0.945 25 F CB 1.575 40.732 39.000 0.260 0.000 1.181 25 F HN -0.247 nan 8.300 nan 0.000 0.435 26 K N 1.107 121.715 120.400 0.347 0.000 2.230 26 K HA 0.476 4.796 4.320 -0.000 0.000 0.253 26 K C 1.083 177.632 176.600 -0.084 0.000 1.008 26 K CA 0.088 56.492 56.287 0.194 0.000 0.910 26 K CB 0.633 33.183 32.500 0.083 0.000 0.994 26 K HN 0.702 nan 8.250 nan 0.000 0.495 27 A N 1.491 124.036 122.820 -0.458 0.000 1.908 27 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 27 A C 2.234 179.538 177.584 -0.467 0.000 1.181 27 A CA 2.208 53.491 52.037 -1.257 0.000 0.627 27 A CB -1.004 17.317 19.000 -1.132 0.000 0.818 27 A HN 0.812 nan 8.150 nan 0.000 0.445 28 A N -0.107 122.578 122.820 -0.225 0.000 2.019 28 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 28 A C 1.575 179.131 177.584 -0.047 0.000 1.164 28 A CA 1.723 53.691 52.037 -0.115 0.000 0.644 28 A CB -0.523 18.406 19.000 -0.118 0.000 0.805 28 A HN 0.474 nan 8.150 nan 0.000 0.449 29 D N -0.418 119.964 120.400 -0.030 0.000 2.218 29 D HA -0.104 4.536 4.640 -0.000 0.000 0.204 29 D C 1.250 177.531 176.300 -0.031 0.000 0.976 29 D CA 1.254 55.265 54.000 0.018 0.000 0.853 29 D CB -0.231 40.660 40.800 0.152 0.000 0.939 29 D HN 0.489 nan 8.370 nan 0.000 0.481 30 N N -1.107 117.575 118.700 -0.030 0.000 2.184 30 N HA 0.043 4.783 4.740 -0.000 0.000 0.206 30 N C -0.655 174.791 175.510 -0.106 0.000 1.151 30 N CA -0.362 52.704 53.050 0.025 0.000 0.878 30 N CB 0.165 38.813 38.487 0.269 0.000 1.014 30 N HN -0.071 nan 8.380 nan 0.000 0.512 31 F N 3.126 122.869 119.950 -0.345 0.000 2.495 31 F HA 0.298 4.825 4.527 -0.000 0.000 0.365 31 F C -1.701 173.850 175.800 -0.415 0.000 1.090 31 F CA -1.984 55.654 58.000 -0.603 0.000 1.235 31 F CB 0.400 39.136 39.000 -0.440 0.000 1.119 31 F HN 0.083 nan 8.300 nan 0.000 0.562 32 P HA 0.038 nan 4.420 nan 0.000 0.275 32 P C -1.209 175.784 177.300 -0.513 0.000 1.227 32 P CA -0.280 62.412 63.100 -0.680 0.000 0.781 32 P CB 0.873 32.130 31.700 -0.738 0.000 0.906 33 D N 2.794 123.026 120.400 -0.280 0.000 2.422 33 D HA 0.128 4.768 4.640 -0.000 0.000 0.227 33 D C 0.165 176.310 176.300 -0.259 0.000 1.190 33 D CA -0.086 53.817 54.000 -0.161 0.000 0.905 33 D CB -0.314 40.442 40.800 -0.072 0.000 1.034 33 D HN 0.249 nan 8.370 nan 0.000 0.507 34 L N 2.859 123.907 121.223 -0.291 0.000 3.034 34 L HA 0.164 4.504 4.340 -0.000 0.000 0.245 34 L C 1.266 178.080 176.870 -0.094 0.000 1.295 34 L CA -0.153 54.407 54.840 -0.466 0.000 1.068 34 L CB 0.178 41.971 42.059 -0.444 0.000 1.426 34 L HN 0.209 nan 8.230 nan 0.000 0.531 35 S N -0.693 115.016 115.700 0.015 0.000 2.501 35 S HA 0.031 4.501 4.470 -0.000 0.000 0.220 35 S C 1.766 176.430 174.600 0.106 0.000 0.997 35 S CA 0.353 58.589 58.200 0.061 0.000 0.919 35 S CB 0.238 63.462 63.200 0.038 0.000 0.778 35 S HN 0.443 nan 8.310 nan 0.000 0.523 36 K N 0.560 121.076 120.400 0.193 0.000 2.137 36 K HA 0.072 4.392 4.320 -0.000 0.000 0.202 36 K C -0.131 176.553 176.600 0.140 0.000 1.052 36 K CA 0.483 56.851 56.287 0.136 0.000 0.961 36 K CB -0.126 32.419 32.500 0.075 0.000 0.741 36 K HN 0.366 nan 8.250 nan 0.000 0.452 37 H N 1.063 120.132 119.070 -0.003 0.000 2.972 37 H HA 0.031 4.587 4.556 -0.000 0.000 0.343 37 H C -0.035 175.302 175.328 0.015 0.000 1.054 37 H CA 0.234 56.283 56.048 0.002 0.000 1.412 37 H CB 0.196 29.954 29.762 -0.007 0.000 1.385 37 H HN 0.007 nan 8.280 nan 0.000 0.600 38 N N 2.444 121.205 118.700 0.102 0.000 2.750 38 N HA 0.075 4.815 4.740 -0.000 0.000 0.253 38 N C -1.557 174.002 175.510 0.082 0.000 1.408 38 N CA -0.737 52.360 53.050 0.079 0.000 0.780 38 N CB -0.109 38.404 38.487 0.045 0.000 1.191 38 N HN 0.819 nan 8.380 nan 0.000 0.511 39 N N -1.403 117.362 118.700 0.108 0.000 2.972 39 N HA 0.288 5.028 4.740 -0.000 0.000 0.262 39 N C 0.212 175.793 175.510 0.119 0.000 1.478 39 N CA -0.806 52.310 53.050 0.109 0.000 0.841 39 N CB 0.481 39.033 38.487 0.108 0.000 1.512 39 N HN -0.207 nan 8.380 nan 0.000 0.548 40 V N -0.282 119.706 119.914 0.124 0.000 2.548 40 V HA -0.129 3.991 4.120 -0.000 0.000 0.249 40 V C 2.217 178.400 176.094 0.148 0.000 1.055 40 V CA 1.429 63.804 62.300 0.125 0.000 1.065 40 V CB -0.782 31.113 31.823 0.119 0.000 0.681 40 V HN 0.732 nan 8.190 nan 0.000 0.462 41 M N 0.709 120.416 119.600 0.179 0.000 2.132 41 M HA -0.111 4.369 4.480 -0.000 0.000 0.263 41 M C 2.162 178.580 176.300 0.198 0.000 1.065 41 M CA 2.397 57.854 55.300 0.261 0.000 1.122 41 M CB -0.596 32.128 32.600 0.207 0.000 1.365 41 M HN 0.346 nan 8.290 nan 0.000 0.411 42 A N -0.630 122.272 122.820 0.136 0.000 2.015 42 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 42 A C 2.156 179.809 177.584 0.115 0.000 1.163 42 A CA 1.945 54.042 52.037 0.100 0.000 0.646 42 A CB -0.663 18.412 19.000 0.125 0.000 0.806 42 A HN 0.625 nan 8.150 nan 0.000 0.448 43 S N -0.405 115.370 115.700 0.126 0.000 2.436 43 S HA -0.054 4.416 4.470 -0.000 0.000 0.228 43 S C 1.709 176.391 174.600 0.136 0.000 1.014 43 S CA 0.968 59.236 58.200 0.114 0.000 0.950 43 S CB -0.016 63.242 63.200 0.097 0.000 0.784 43 S HN 0.629 nan 8.310 nan 0.000 0.504 44 Q N 0.095 120.005 119.800 0.183 0.000 2.317 44 Q HA 0.333 4.673 4.340 -0.000 0.000 0.220 44 Q C 0.116 176.323 176.000 0.345 0.000 0.873 44 Q CA -0.121 55.811 55.803 0.215 0.000 0.936 44 Q CB -0.150 28.669 28.738 0.134 0.000 1.105 44 Q HN 0.380 nan 8.270 nan 0.000 0.520 45 L N 2.559 123.998 121.223 0.361 0.000 2.380 45 L HA 0.295 4.635 4.340 -0.000 0.000 0.273 45 L C -0.115 176.943 176.870 0.313 0.000 1.138 45 L CA 0.427 55.486 54.840 0.365 0.000 0.832 45 L CB 1.007 43.198 42.059 0.220 0.000 1.124 45 L HN 0.109 nan 8.230 nan 0.000 0.454 46 T N 0.573 115.315 114.554 0.313 0.000 2.906 46 T HA 0.448 4.798 4.350 -0.000 0.000 0.295 46 T C 0.731 175.519 174.700 0.146 0.000 1.075 46 T CA -0.862 61.351 62.100 0.189 0.000 1.005 46 T CB 1.388 70.318 68.868 0.104 0.000 1.136 46 T HN 0.631 nan 8.240 nan 0.000 0.498 47 K N 0.420 120.709 120.400 -0.185 0.000 2.097 47 K HA -0.130 4.190 4.320 -0.000 0.000 0.206 47 K C 2.081 178.594 176.600 -0.145 0.000 1.049 47 K CA 1.414 57.438 56.287 -0.439 0.000 0.933 47 K CB -0.054 32.070 32.500 -0.626 0.000 0.717 47 K HN 0.799 nan 8.250 nan 0.000 0.442 48 E N 1.628 121.766 120.200 -0.103 0.000 2.051 48 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 48 E C 2.112 178.650 176.600 -0.103 0.000 0.991 48 E CA 0.859 57.203 56.400 -0.094 0.000 0.799 48 E CB -0.007 29.646 29.700 -0.078 0.000 0.748 48 E HN 0.246 nan 8.360 nan 0.000 0.449 49 L N 0.065 121.262 121.223 -0.043 0.000 2.012 49 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 49 L C 2.683 179.455 176.870 -0.164 0.000 1.073 49 L CA 1.709 56.492 54.840 -0.096 0.000 0.748 49 L CB -0.619 41.512 42.059 0.121 0.000 0.891 49 L HN 0.288 nan 8.230 nan 0.000 0.431 50 Y N 0.624 120.900 120.300 -0.040 0.000 2.181 50 Y HA -0.287 4.263 4.550 -0.000 0.000 0.288 50 Y C 2.708 178.545 175.900 -0.105 0.000 1.146 50 Y CA 1.843 59.949 58.100 0.009 0.000 1.164 50 Y CB -0.073 38.587 38.460 0.333 0.000 0.982 50 Y HN 0.157 nan 8.280 nan 0.000 0.515 51 E N 0.862 121.007 120.200 -0.092 0.000 2.204 51 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 51 E C 1.906 178.449 176.600 -0.095 0.000 0.989 51 E CA 1.031 57.322 56.400 -0.182 0.000 0.824 51 E CB -0.171 29.447 29.700 -0.136 0.000 0.756 51 E HN 0.532 nan 8.360 nan 0.000 0.477 52 K N -1.149 119.098 120.400 -0.254 0.000 2.366 52 K HA -0.078 4.242 4.320 -0.000 0.000 0.198 52 K C 1.120 177.502 176.600 -0.364 0.000 1.044 52 K CA 0.719 56.789 56.287 -0.361 0.000 0.973 52 K CB 0.169 32.314 32.500 -0.591 0.000 0.767 52 K HN 0.201 nan 8.250 nan 0.000 0.475 53 Y N -1.579 118.525 120.300 -0.326 0.000 2.585 53 Y HA -0.044 4.506 4.550 -0.000 0.000 0.272 53 Y C 1.773 177.404 175.900 -0.448 0.000 1.119 53 Y CA -0.592 57.229 58.100 -0.465 0.000 1.255 53 Y CB 0.122 37.962 38.460 -1.033 0.000 1.284 53 Y HN 0.188 nan 8.280 nan 0.000 0.499 54 W N 2.535 123.437 121.300 -0.664 0.000 2.321 54 W HA -0.223 4.437 4.660 -0.000 0.000 0.285 54 W C 0.570 176.536 176.519 -0.922 0.000 1.213 54 W CA 1.847 58.761 57.345 -0.719 0.000 1.205 54 W CB -0.948 27.984 29.460 -0.880 0.000 1.134 54 W HN 0.320 nan 8.180 nan 0.000 0.549 55 D N 0.068 119.621 120.400 -1.411 0.000 2.402 55 D HA 0.086 4.726 4.640 -0.000 0.000 0.216 55 D C 0.067 175.811 176.300 -0.926 0.000 1.128 55 D CA -0.140 52.681 54.000 -1.965 0.000 0.833 55 D CB -0.398 39.325 40.800 -1.795 0.000 0.971 55 D HN 0.139 nan 8.370 nan 0.000 0.503 56 K N 0.746 120.858 120.400 -0.480 0.000 2.183 56 K HA 0.470 4.790 4.320 -0.000 0.000 0.274 56 K C -1.272 175.312 176.600 -0.026 0.000 1.009 56 K CA -0.619 55.568 56.287 -0.167 0.000 0.888 56 K CB 1.703 34.200 32.500 -0.004 0.000 1.078 56 K HN -0.164 nan 8.250 nan 0.000 0.459 57 V N 2.457 122.351 119.914 -0.033 0.000 2.914 57 V HA 0.334 4.454 4.120 -0.000 0.000 0.314 57 V C -0.127 175.960 176.094 -0.012 0.000 1.084 57 V CA -0.844 61.479 62.300 0.038 0.000 0.963 57 V CB 2.141 33.989 31.823 0.041 0.000 1.025 57 V HN 1.030 nan 8.190 nan 0.000 0.432 58 T N 0.874 115.448 114.554 0.033 0.000 2.922 58 T HA 0.371 4.721 4.350 -0.000 0.000 0.285 58 T C -1.870 172.765 174.700 -0.109 0.000 1.005 58 T CA -1.910 60.159 62.100 -0.052 0.000 1.061 58 T CB 1.492 70.417 68.868 0.095 0.000 1.007 58 T HN 0.442 nan 8.240 nan 0.000 0.502 59 P HA -0.128 nan 4.420 nan 0.000 0.220 59 P C 0.785 178.035 177.300 -0.083 0.000 1.144 59 P CA 1.161 64.095 63.100 -0.276 0.000 0.808 59 P CB -0.032 31.300 31.700 -0.613 0.000 0.763 60 N N -2.974 115.725 118.700 -0.001 0.000 2.184 60 N HA 0.124 4.864 4.740 -0.000 0.000 0.206 60 N C 1.090 176.618 175.510 0.029 0.000 1.151 60 N CA 0.869 53.944 53.050 0.040 0.000 0.878 60 N CB 0.742 39.292 38.487 0.105 0.000 1.014 60 N HN 0.124 nan 8.380 nan 0.000 0.512 61 G N 1.196 110.020 108.800 0.041 0.000 2.132 61 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.234 61 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.234 61 G C -0.025 174.931 174.900 0.093 0.000 0.989 61 G CA -0.154 44.983 45.100 0.060 0.000 0.676 61 G HN 0.156 nan 8.290 nan 0.000 0.522 62 V N 1.915 121.902 119.914 0.121 0.000 2.614 62 V HA 0.577 4.697 4.120 -0.000 0.000 0.291 62 V C 1.297 177.514 176.094 0.204 0.000 1.049 62 V CA 0.742 63.136 62.300 0.157 0.000 1.038 62 V CB 1.200 33.147 31.823 0.207 0.000 0.980 62 V HN 0.775 nan 8.190 nan 0.000 0.481 63 T N 1.686 116.335 114.554 0.158 0.000 2.922 63 T HA 0.406 4.756 4.350 -0.000 0.000 0.281 63 T C 0.668 175.351 174.700 -0.028 0.000 1.005 63 T CA -0.352 61.829 62.100 0.135 0.000 0.982 63 T CB 0.997 69.954 68.868 0.149 0.000 1.158 63 T HN 0.283 nan 8.240 nan 0.000 0.566 64 F N 0.715 120.432 119.950 -0.388 0.000 2.187 64 F HA 0.090 4.617 4.527 -0.000 0.000 0.295 64 F C 1.947 177.551 175.800 -0.327 0.000 1.091 64 F CA 1.172 58.745 58.000 -0.712 0.000 1.308 64 F CB -0.505 38.062 39.000 -0.721 0.000 1.030 64 F HN 0.555 nan 8.300 nan 0.000 0.487 65 D N 0.292 120.652 120.400 -0.066 0.000 2.149 65 D HA -0.177 4.463 4.640 -0.000 0.000 0.198 65 D C 2.278 178.506 176.300 -0.121 0.000 0.990 65 D CA 0.889 54.871 54.000 -0.031 0.000 0.839 65 D CB -0.201 40.694 40.800 0.159 0.000 0.948 65 D HN 0.113 nan 8.370 nan 0.000 0.460 66 K N 0.563 120.905 120.400 -0.097 0.000 2.026 66 K HA -0.073 4.247 4.320 -0.000 0.000 0.208 66 K C 2.171 178.706 176.600 -0.108 0.000 1.048 66 K CA 0.558 56.794 56.287 -0.085 0.000 0.929 66 K CB -0.652 31.829 32.500 -0.032 0.000 0.713 66 K HN 0.200 nan 8.250 nan 0.000 0.439 67 C N 0.937 120.139 119.300 -0.163 0.000 2.411 67 C HA -0.101 4.359 4.460 -0.000 0.000 0.279 67 C C 2.481 177.346 174.990 -0.209 0.000 1.288 67 C CA 0.850 59.782 59.018 -0.142 0.000 1.764 67 C CB -0.925 26.739 27.740 -0.126 0.000 1.974 67 C HN 0.606 nan 8.230 nan 0.000 0.498 68 I N -1.532 118.822 120.570 -0.359 0.000 3.941 68 I HA 0.109 4.279 4.170 -0.000 0.000 0.321 68 I C 2.247 178.264 176.117 -0.166 0.000 1.284 68 I CA 0.532 61.645 61.300 -0.312 0.000 1.226 68 I CB -0.624 37.053 38.000 -0.538 0.000 1.045 68 I HN 0.074 nan 8.210 nan 0.000 0.420 69 Q N 1.830 121.552 119.800 -0.129 0.000 2.112 69 Q HA -0.225 4.115 4.340 -0.000 0.000 0.206 69 Q C 2.312 178.292 176.000 -0.032 0.000 0.987 69 Q CA 2.998 58.760 55.803 -0.070 0.000 0.858 69 Q CB -0.799 27.910 28.738 -0.048 0.000 0.905 69 Q HN 0.546 nan 8.270 nan 0.000 0.420 70 T N -1.438 113.100 114.554 -0.027 0.000 2.849 70 T HA -0.124 4.226 4.350 -0.000 0.000 0.270 70 T C 1.491 176.198 174.700 0.011 0.000 1.066 70 T CA 1.533 63.629 62.100 -0.006 0.000 1.130 70 T CB -0.534 68.330 68.868 -0.008 0.000 0.864 70 T HN 0.527 nan 8.240 nan 0.000 0.481 71 G N 0.180 108.987 108.800 0.012 0.000 2.396 71 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.214 71 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.214 71 G C 1.646 176.623 174.900 0.128 0.000 1.166 71 G CA 0.854 45.988 45.100 0.057 0.000 0.793 71 G HN 0.500 nan 8.290 nan 0.000 0.533 72 V N 1.378 121.327 119.914 0.059 0.000 2.626 72 V HA -0.093 4.027 4.120 -0.000 0.000 0.252 72 V C 2.219 178.443 176.094 0.216 0.000 1.067 72 V CA 1.832 64.195 62.300 0.107 0.000 1.081 72 V CB -0.317 31.466 31.823 -0.066 0.000 0.686 72 V HN 0.198 nan 8.190 nan 0.000 0.468 73 D N 0.138 120.586 120.400 0.081 0.000 2.317 73 D HA -0.015 4.625 4.640 -0.000 0.000 0.211 73 D C 0.708 177.002 176.300 -0.009 0.000 0.966 73 D CA 0.747 54.770 54.000 0.038 0.000 0.876 73 D CB -0.075 40.735 40.800 0.016 0.000 0.927 73 D HN 0.418 nan 8.370 nan 0.000 0.519 74 N N 0.658 119.343 118.700 -0.024 0.000 2.716 74 N HA 0.118 4.858 4.740 -0.000 0.000 0.253 74 N C -2.014 173.386 175.510 -0.185 0.000 1.170 74 N CA -0.946 52.055 53.050 -0.082 0.000 0.807 74 N CB 2.512 40.986 38.487 -0.021 0.000 1.183 74 N HN 0.006 nan 8.380 nan 0.000 0.524 75 P HA -0.030 nan 4.420 nan 0.000 0.216 75 P C 0.726 177.903 177.300 -0.205 0.000 1.153 75 P CA 1.031 63.785 63.100 -0.577 0.000 0.844 75 P CB 0.806 32.133 31.700 -0.621 0.000 0.787 76 G N -0.915 107.804 108.800 -0.134 0.000 2.818 76 G HA2 0.496 4.456 3.960 -0.000 0.000 0.286 76 G HA3 0.496 4.456 3.960 -0.000 0.000 0.286 76 G C -1.679 173.203 174.900 -0.030 0.000 1.364 76 G CA -0.349 44.713 45.100 -0.064 0.000 0.938 76 G HN 0.075 nan 8.290 nan 0.000 0.490 77 N N -0.924 117.769 118.700 -0.011 0.000 2.500 77 N HA 0.233 4.973 4.740 -0.000 0.000 0.291 77 N C 0.594 176.073 175.510 -0.052 0.000 1.092 77 N CA -0.613 52.449 53.050 0.020 0.000 0.890 77 N CB 2.094 40.632 38.487 0.086 0.000 1.466 77 N HN 0.399 nan 8.380 nan 0.000 0.507 78 K N 1.681 121.974 120.400 -0.177 0.000 2.360 78 K HA 0.015 4.335 4.320 -0.000 0.000 0.201 78 K C -0.058 176.113 176.600 -0.714 0.000 1.046 78 K CA 1.133 57.110 56.287 -0.517 0.000 0.945 78 K CB 0.042 32.042 32.500 -0.833 0.000 0.750 78 K HN 0.398 nan 8.250 nan 0.000 0.464 79 F N -1.213 118.691 119.950 -0.076 0.000 2.977 79 F HA 0.292 4.819 4.527 -0.000 0.000 0.317 79 F C 0.582 176.357 175.800 -0.041 0.000 1.425 79 F CA -1.230 56.656 58.000 -0.190 0.000 1.038 79 F CB -0.080 38.781 39.000 -0.231 0.000 1.797 79 F HN -0.251 nan 8.300 nan 0.000 0.442 80 Y N 0.065 120.527 120.300 0.271 0.000 2.320 80 Y HA 0.485 5.035 4.550 -0.000 0.000 0.324 80 Y C 0.727 176.710 175.900 0.139 0.000 1.190 80 Y CA -0.445 57.748 58.100 0.155 0.000 1.215 80 Y CB 0.753 39.298 38.460 0.142 0.000 1.221 80 Y HN 0.720 nan 8.280 nan 0.000 0.486 81 G N 2.262 111.223 108.800 0.268 0.000 2.781 81 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.683 81 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.683 81 G C -1.213 173.791 174.900 0.175 0.000 1.390 81 G CA -0.877 44.341 45.100 0.198 0.000 0.850 81 G HN 0.691 nan 8.290 nan 0.000 0.557 82 K N 0.281 120.779 120.400 0.163 0.000 2.144 82 K HA 0.487 4.807 4.320 -0.000 0.000 0.270 82 K C 0.335 177.072 176.600 0.228 0.000 1.005 82 K CA -0.726 55.655 56.287 0.157 0.000 0.932 82 K CB 0.413 32.978 32.500 0.108 0.000 1.021 82 K HN 0.377 nan 8.250 nan 0.000 0.462 83 K N 1.165 121.659 120.400 0.157 0.000 2.168 83 K HA 0.200 4.520 4.320 -0.000 0.000 0.239 83 K C 0.893 177.564 176.600 0.118 0.000 0.999 83 K CA -0.456 55.907 56.287 0.127 0.000 0.900 83 K CB 1.489 34.040 32.500 0.086 0.000 1.111 83 K HN 0.633 nan 8.250 nan 0.000 0.452 84 T N -0.323 114.277 114.554 0.077 0.000 2.809 84 T HA 0.000 4.350 4.350 -0.000 0.000 0.260 84 T C 0.921 175.671 174.700 0.083 0.000 1.039 84 T CA 1.124 63.266 62.100 0.070 0.000 1.141 84 T CB -0.303 68.577 68.868 0.019 0.000 0.869 84 T HN 0.862 nan 8.240 nan 0.000 0.437 85 G N 1.609 110.447 108.800 0.063 0.000 2.221 85 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.265 85 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.265 85 G C 0.269 175.207 174.900 0.063 0.000 1.041 85 G CA 0.136 45.275 45.100 0.064 0.000 0.807 85 G HN 1.331 nan 8.290 nan 0.000 0.502 86 C N -2.507 116.822 119.300 0.050 0.000 3.268 86 C HA 0.808 5.268 4.460 -0.000 0.000 0.374 86 C C -0.055 174.920 174.990 -0.025 0.000 1.126 86 C CA -0.389 58.658 59.018 0.048 0.000 1.162 86 C CB 1.294 29.153 27.740 0.198 0.000 1.503 86 C HN 1.887 nan 8.230 nan 0.000 0.538 87 V N -0.694 119.178 119.914 -0.070 0.000 3.155 87 V HA 0.872 4.992 4.120 -0.000 0.000 0.313 87 V C -0.618 175.309 176.094 -0.278 0.000 1.162 87 V CA -0.944 61.250 62.300 -0.177 0.000 1.048 87 V CB 1.807 33.597 31.823 -0.053 0.000 1.092 87 V HN 0.901 nan 8.190 nan 0.000 0.447 88 F N 0.464 120.407 119.950 -0.012 0.000 2.399 88 F HA 0.718 5.245 4.527 -0.000 0.000 0.334 88 F C 1.470 177.292 175.800 0.037 0.000 1.097 88 F CA 0.327 58.324 58.000 -0.005 0.000 1.076 88 F CB 2.076 41.008 39.000 -0.113 0.000 1.162 88 F HN 0.743 nan 8.300 nan 0.000 0.495 89 G N 0.357 109.325 108.800 0.280 0.000 2.656 89 G HA2 0.159 4.119 3.960 -0.000 0.000 0.211 89 G HA3 0.159 4.119 3.960 -0.000 0.000 0.211 89 G C -0.462 174.536 174.900 0.164 0.000 1.137 89 G CA 0.390 45.601 45.100 0.184 0.000 0.802 89 G HN 0.665 nan 8.290 nan 0.000 0.527 90 D N -2.090 118.422 120.400 0.188 0.000 2.851 90 D HA 0.068 4.708 4.640 -0.000 0.000 0.339 90 D C 0.553 176.874 176.300 0.034 0.000 1.347 90 D CA -0.631 53.441 54.000 0.121 0.000 0.888 90 D CB 0.526 41.431 40.800 0.174 0.000 1.431 90 D HN -0.060 nan 8.370 nan 0.000 0.509 91 E N -1.304 118.841 120.200 -0.092 0.000 2.268 91 E HA -0.116 4.234 4.350 -0.000 0.000 0.195 91 E C 0.831 177.282 176.600 -0.248 0.000 0.995 91 E CA 1.036 57.290 56.400 -0.243 0.000 0.836 91 E CB -0.120 29.354 29.700 -0.376 0.000 0.763 91 E HN 0.469 nan 8.360 nan 0.000 0.491 92 Y N -0.714 119.605 120.300 0.032 0.000 2.490 92 Y HA 0.053 4.603 4.550 -0.000 0.000 0.285 92 Y C 2.548 178.472 175.900 0.040 0.000 1.117 92 Y CA 0.438 58.548 58.100 0.018 0.000 1.262 92 Y CB 0.271 38.734 38.460 0.005 0.000 1.043 92 Y HN 0.014 nan 8.280 nan 0.000 0.553 93 S N -0.107 115.762 115.700 0.282 0.000 2.370 93 S HA -0.286 4.184 4.470 -0.000 0.000 0.226 93 S C 1.792 176.725 174.600 0.555 0.000 1.033 93 S CA 1.719 60.199 58.200 0.466 0.000 1.011 93 S CB -0.642 62.953 63.200 0.658 0.000 0.852 93 S HN 0.623 nan 8.310 nan 0.000 0.457 94 Y N 1.885 122.317 120.300 0.220 0.000 2.128 94 Y HA -0.202 4.348 4.550 -0.000 0.000 0.284 94 Y C 2.343 178.409 175.900 0.277 0.000 1.154 94 Y CA 1.916 60.172 58.100 0.261 0.000 1.149 94 Y CB -0.203 38.139 38.460 -0.197 0.000 0.976 94 Y HN 0.275 nan 8.280 nan 0.000 0.505 95 E N -0.787 119.375 120.200 -0.064 0.000 2.072 95 E HA -0.223 4.127 4.350 -0.000 0.000 0.191 95 E C 2.238 178.696 176.600 -0.237 0.000 0.985 95 E CA 1.389 57.679 56.400 -0.184 0.000 0.801 95 E CB -0.298 29.393 29.700 -0.015 0.000 0.750 95 E HN 0.518 nan 8.360 nan 0.000 0.452 96 C N -0.189 118.913 119.300 -0.330 0.000 2.425 96 C HA -0.127 4.333 4.460 -0.000 0.000 0.277 96 C C 1.375 175.791 174.990 -0.957 0.000 1.280 96 C CA 0.518 59.132 59.018 -0.673 0.000 1.744 96 C CB -0.798 26.335 27.740 -1.013 0.000 1.989 96 C HN 0.397 nan 8.230 nan 0.000 0.491 97 Y N 0.048 120.171 120.300 -0.295 0.000 2.722 97 Y HA 0.247 4.797 4.550 -0.000 0.000 0.314 97 Y C 1.610 177.414 175.900 -0.160 0.000 1.008 97 Y CA -0.356 57.306 58.100 -0.729 0.000 1.294 97 Y CB -0.491 37.698 38.460 -0.453 0.000 1.231 97 Y HN 0.156 nan 8.280 nan 0.000 0.558 98 K N 1.486 121.848 120.400 -0.063 0.000 2.032 98 K HA -0.267 4.053 4.320 -0.000 0.000 0.209 98 K C 1.939 178.643 176.600 0.174 0.000 1.048 98 K CA 2.021 58.243 56.287 -0.109 0.000 0.927 98 K CB 0.115 32.453 32.500 -0.269 0.000 0.712 98 K HN 0.566 nan 8.250 nan 0.000 0.441 99 E N -0.503 119.871 120.200 0.291 0.000 2.160 99 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 99 E C 1.775 178.580 176.600 0.342 0.000 0.991 99 E CA 1.091 57.668 56.400 0.295 0.000 0.810 99 E CB -0.149 29.711 29.700 0.266 0.000 0.742 99 E HN 0.375 nan 8.360 nan 0.000 0.466 100 F N -0.080 120.046 119.950 0.294 0.000 2.118 100 F HA -0.051 4.476 4.527 -0.000 0.000 0.293 100 F C 1.553 177.468 175.800 0.191 0.000 1.102 100 F CA 1.058 59.181 58.000 0.206 0.000 1.247 100 F CB -0.428 38.700 39.000 0.212 0.000 1.017 100 F HN -0.031 nan 8.300 nan 0.000 0.475 101 F N 1.529 121.552 119.950 0.123 0.000 2.216 101 F HA -0.140 4.387 4.527 -0.000 0.000 0.300 101 F C 2.199 178.095 175.800 0.161 0.000 1.085 101 F CA 1.411 59.447 58.000 0.061 0.000 1.326 101 F CB -1.219 38.110 39.000 0.547 0.000 1.027 101 F HN 0.027 nan 8.300 nan 0.000 0.497 102 D N 0.361 121.005 120.400 0.407 0.000 2.123 102 D HA -0.170 4.470 4.640 -0.000 0.000 0.196 102 D C 2.132 178.558 176.300 0.210 0.000 0.992 102 D CA 1.266 55.467 54.000 0.335 0.000 0.833 102 D CB -0.322 40.642 40.800 0.275 0.000 0.954 102 D HN 0.270 nan 8.370 nan 0.000 0.455 103 K N 0.083 120.553 120.400 0.116 0.000 2.097 103 K HA -0.061 4.259 4.320 -0.000 0.000 0.206 103 K C 2.367 179.002 176.600 0.058 0.000 1.049 103 K CA 0.835 57.168 56.287 0.076 0.000 0.933 103 K CB -0.394 32.141 32.500 0.058 0.000 0.717 103 K HN 0.239 nan 8.250 nan 0.000 0.442 104 C N 1.143 120.432 119.300 -0.018 0.000 2.476 104 C HA 0.013 4.473 4.460 -0.000 0.000 0.278 104 C C 2.683 177.764 174.990 0.152 0.000 1.274 104 C CA 0.058 59.087 59.018 0.019 0.000 1.713 104 C CB -0.726 26.966 27.740 -0.079 0.000 2.039 104 C HN 0.356 nan 8.230 nan 0.000 0.484 105 I N 1.124 121.834 120.570 0.234 0.000 2.248 105 I HA -0.269 3.901 4.170 -0.000 0.000 0.248 105 I C 2.653 178.991 176.117 0.368 0.000 1.107 105 I CA 1.859 63.365 61.300 0.344 0.000 1.373 105 I CB -0.431 37.785 38.000 0.360 0.000 1.055 105 I HN 0.464 nan 8.210 nan 0.000 0.418 106 E N 0.642 121.018 120.200 0.292 0.000 2.047 106 E HA -0.277 4.073 4.350 -0.000 0.000 0.191 106 E C 2.094 178.869 176.600 0.292 0.000 0.987 106 E CA 1.282 57.850 56.400 0.279 0.000 0.799 106 E CB 0.007 29.815 29.700 0.179 0.000 0.752 106 E HN 0.477 nan 8.360 nan 0.000 0.449 107 E N 0.539 120.875 120.200 0.226 0.000 2.012 107 E HA -0.237 4.113 4.350 -0.000 0.000 0.197 107 E C 2.115 178.890 176.600 0.291 0.000 1.007 107 E CA 1.875 58.411 56.400 0.228 0.000 0.816 107 E CB -0.237 29.556 29.700 0.155 0.000 0.762 107 E HN 0.313 nan 8.360 nan 0.000 0.451 108 I N 0.434 121.141 120.570 0.230 0.000 2.127 108 I HA -0.293 3.877 4.170 -0.000 0.000 0.241 108 I C 2.500 178.713 176.117 0.160 0.000 1.075 108 I CA 1.488 62.922 61.300 0.223 0.000 1.334 108 I CB -0.409 37.546 38.000 -0.076 0.000 1.040 108 I HN 0.311 nan 8.210 nan 0.000 0.405 109 H N -1.140 118.103 119.070 0.288 0.000 2.582 109 H HA 0.083 4.639 4.556 -0.000 0.000 0.269 109 H C 0.020 175.536 175.328 0.314 0.000 0.962 109 H CA 0.377 56.563 56.048 0.229 0.000 1.230 109 H CB 0.277 30.125 29.762 0.144 0.000 1.445 109 H HN 0.346 nan 8.280 nan 0.000 0.528 110 H N -1.243 118.018 119.070 0.318 0.000 2.882 110 H HA -0.172 4.384 4.556 -0.000 0.000 0.314 110 H C -1.080 174.432 175.328 0.308 0.000 1.270 110 H CA 0.450 56.644 56.048 0.243 0.000 1.165 110 H CB -2.556 27.316 29.762 0.184 0.000 1.436 110 H HN 0.270 nan 8.280 nan 0.000 0.431 111 F N 0.816 120.917 119.950 0.252 0.000 2.562 111 F HA 0.438 4.965 4.527 -0.000 0.000 0.319 111 F C -0.276 175.608 175.800 0.139 0.000 1.154 111 F CA -0.788 57.316 58.000 0.174 0.000 0.931 111 F CB 0.952 40.045 39.000 0.156 0.000 1.198 111 F HN -0.050 nan 8.300 nan 0.000 0.444 112 K N 6.021 126.248 120.400 -0.287 0.000 2.109 112 K HA 0.381 4.701 4.320 -0.000 0.000 0.243 112 K C -2.125 174.363 176.600 -0.187 0.000 1.006 112 K CA -1.663 54.533 56.287 -0.152 0.000 0.917 112 K CB 0.708 33.133 32.500 -0.125 0.000 1.081 112 K HN 0.292 nan 8.250 nan 0.000 0.468 113 P HA -0.132 nan 4.420 nan 0.000 0.226 113 P C 0.995 178.279 177.300 -0.027 0.000 1.153 113 P CA 1.038 64.163 63.100 0.042 0.000 0.777 113 P CB 0.169 31.922 31.700 0.088 0.000 0.794 114 S N -2.508 113.136 115.700 -0.093 0.000 2.496 114 S HA 0.010 4.480 4.470 -0.000 0.000 0.224 114 S C 0.780 175.293 174.600 -0.146 0.000 0.996 114 S CA 0.071 58.220 58.200 -0.085 0.000 0.927 114 S CB -0.612 62.548 63.200 -0.067 0.000 0.774 114 S HN 0.019 nan 8.310 nan 0.000 0.524 115 D N 1.381 121.576 120.400 -0.342 0.000 2.387 115 D HA 0.403 5.043 4.640 -0.000 0.000 0.251 115 D C -0.455 175.726 176.300 -0.199 0.000 1.141 115 D CA -0.162 53.570 54.000 -0.447 0.000 0.987 115 D CB 1.059 41.273 40.800 -0.976 0.000 1.116 115 D HN 0.240 nan 8.370 nan 0.000 0.491 116 K N 0.206 120.655 120.400 0.081 0.000 2.468 116 K HA 0.181 4.501 4.320 -0.000 0.000 0.252 116 K C -0.989 175.877 176.600 0.444 0.000 0.932 116 K CA -0.682 55.798 56.287 0.323 0.000 0.794 116 K CB 1.524 34.115 32.500 0.152 0.000 1.241 116 K HN 0.346 nan 8.250 nan 0.000 0.428 117 H N 4.165 123.399 119.070 0.274 0.000 2.886 117 H HA 0.198 4.754 4.556 -0.000 0.000 0.329 117 H C -2.060 173.313 175.328 0.076 0.000 1.044 117 H CA -0.975 55.119 56.048 0.077 0.000 1.456 117 H CB 0.783 30.467 29.762 -0.130 0.000 1.464 117 H HN 0.382 nan 8.280 nan 0.000 0.573 118 P HA 0.175 nan 4.420 nan 0.000 0.274 118 P C -0.691 176.445 177.300 -0.273 0.000 1.246 118 P CA -0.569 62.383 63.100 -0.247 0.000 0.795 118 P CB 0.672 32.256 31.700 -0.193 0.000 1.006 119 A N 2.811 125.572 122.820 -0.099 0.000 2.536 119 A HA 0.286 4.606 4.320 -0.000 0.000 0.234 119 A C -1.895 175.672 177.584 -0.029 0.000 1.076 119 A CA -0.535 51.480 52.037 -0.036 0.000 0.769 119 A CB -1.814 17.182 19.000 -0.007 0.000 1.020 119 A HN 0.448 nan 8.150 nan 0.000 0.508 120 P HA 0.359 nan 4.420 nan 0.000 0.274 120 P C -0.957 176.387 177.300 0.074 0.000 1.246 120 P CA -0.029 63.123 63.100 0.087 0.000 0.795 120 P CB 0.541 32.319 31.700 0.129 0.000 1.006 121 D N 0.959 121.426 120.400 0.113 0.000 2.319 121 D HA 0.160 4.800 4.640 -0.000 0.000 0.237 121 D C -0.333 176.070 176.300 0.171 0.000 1.353 121 D CA -0.193 53.873 54.000 0.110 0.000 0.992 121 D CB 0.379 41.238 40.800 0.099 0.000 1.368 121 D HN 0.146 nan 8.370 nan 0.000 0.564 122 L N 1.579 122.864 121.223 0.103 0.000 2.667 122 L HA 0.198 4.538 4.340 -0.000 0.000 0.232 122 L C 0.708 177.531 176.870 -0.079 0.000 1.138 122 L CA -0.134 54.739 54.840 0.055 0.000 0.921 122 L CB 0.360 42.420 42.059 0.002 0.000 1.180 122 L HN 0.249 nan 8.230 nan 0.000 0.487 123 D N 0.676 121.056 120.400 -0.034 0.000 2.385 123 D HA -0.080 4.560 4.640 -0.000 0.000 0.260 123 D C 1.384 177.579 176.300 -0.175 0.000 1.326 123 D CA 0.094 54.020 54.000 -0.123 0.000 1.023 123 D CB 0.509 41.257 40.800 -0.086 0.000 1.083 123 D HN 0.435 nan 8.370 nan 0.000 0.517 124 H N 1.432 120.288 119.070 -0.356 0.000 2.545 124 H HA 0.046 4.602 4.556 -0.000 0.000 0.282 124 H C 1.240 176.540 175.328 -0.047 0.000 1.020 124 H CA 0.468 56.289 56.048 -0.379 0.000 1.243 124 H CB 0.147 29.514 29.762 -0.657 0.000 1.377 124 H HN 0.175 nan 8.280 nan 0.000 0.581 125 N N 1.167 119.498 118.700 -0.614 0.000 2.142 125 N HA -0.097 4.643 4.740 -0.000 0.000 0.186 125 N C 1.127 176.564 175.510 -0.122 0.000 1.023 125 N CA 0.880 53.713 53.050 -0.362 0.000 0.852 125 N CB 0.028 38.284 38.487 -0.384 0.000 0.998 125 N HN 0.408 nan 8.380 nan 0.000 0.424 126 K N 1.056 121.408 120.400 -0.080 0.000 2.589 126 K HA -0.013 4.307 4.320 -0.000 0.000 0.192 126 K C 0.313 176.938 176.600 0.042 0.000 1.029 126 K CA -0.128 56.153 56.287 -0.011 0.000 1.031 126 K CB -0.541 31.961 32.500 0.002 0.000 0.821 126 K HN 0.123 nan 8.250 nan 0.000 0.502 127 L N 1.666 122.935 121.223 0.077 0.000 2.315 127 L HA 0.067 4.407 4.340 -0.000 0.000 0.283 127 L C -0.414 176.492 176.870 0.060 0.000 1.089 127 L CA -0.198 54.712 54.840 0.118 0.000 0.833 127 L CB 0.786 42.980 42.059 0.225 0.000 1.170 127 L HN -0.229 nan 8.230 nan 0.000 0.442 128 V N 7.129 127.068 119.914 0.041 0.000 2.530 128 V HA 0.620 4.740 4.120 -0.000 0.000 0.282 128 V C 1.187 177.271 176.094 -0.016 0.000 1.048 128 V CA 0.481 62.787 62.300 0.011 0.000 0.997 128 V CB -0.086 31.744 31.823 0.012 0.000 0.987 128 V HN 1.166 nan 8.190 nan 0.000 0.477 129 G N 4.059 112.827 108.800 -0.054 0.000 2.552 129 G HA2 0.210 4.170 3.960 -0.000 0.000 0.265 129 G HA3 0.210 4.170 3.960 -0.000 0.000 0.265 129 G C 0.886 175.682 174.900 -0.174 0.000 1.234 129 G CA 0.187 45.202 45.100 -0.141 0.000 0.944 129 G HN 2.183 nan 8.290 nan 0.000 0.568 130 G N -3.747 104.822 108.800 -0.385 0.000 2.307 130 G HA2 0.094 4.054 3.960 -0.000 0.000 0.210 130 G HA3 0.094 4.054 3.960 -0.000 0.000 0.210 130 G C 0.359 174.976 174.900 -0.473 0.000 1.005 130 G CA 0.810 45.723 45.100 -0.313 0.000 0.634 130 G HN 1.999 nan 8.290 nan 0.000 0.496 131 V N 3.091 122.712 119.914 -0.489 0.000 2.275 131 V HA 0.655 4.775 4.120 -0.000 0.000 0.272 131 V C -0.008 175.890 176.094 -0.325 0.000 1.028 131 V CA -0.714 61.421 62.300 -0.274 0.000 0.810 131 V CB 0.137 31.903 31.823 -0.095 0.000 1.043 131 V HN 0.261 nan 8.190 nan 0.000 0.453 132 F N 1.148 121.139 119.950 0.068 0.000 2.380 132 F HA 0.455 4.982 4.527 -0.000 0.000 0.319 132 F C 1.049 176.909 175.800 0.101 0.000 1.113 132 F CA -1.147 56.901 58.000 0.081 0.000 1.056 132 F CB 0.575 39.627 39.000 0.088 0.000 1.289 132 F HN 0.338 nan 8.300 nan 0.000 0.515 133 E N 0.961 121.375 120.200 0.355 0.000 2.328 133 E HA -0.076 4.274 4.350 -0.000 0.000 0.265 133 E C 0.277 177.019 176.600 0.237 0.000 1.057 133 E CA -0.021 56.541 56.400 0.269 0.000 0.916 133 E CB 0.413 30.311 29.700 0.330 0.000 0.993 133 E HN 0.515 nan 8.360 nan 0.000 0.446 134 D N 3.665 124.153 120.400 0.147 0.000 2.263 134 D HA -0.284 4.356 4.640 -0.000 0.000 0.193 134 D C 1.663 177.988 176.300 0.041 0.000 1.013 134 D CA 1.474 55.530 54.000 0.093 0.000 0.892 134 D CB 0.140 40.974 40.800 0.058 0.000 0.909 134 D HN 0.435 nan 8.370 nan 0.000 0.449 135 K N -1.412 118.970 120.400 -0.030 0.000 2.152 135 K HA -0.205 4.115 4.320 -0.000 0.000 0.206 135 K C 1.705 178.131 176.600 -0.290 0.000 1.048 135 K CA 1.244 57.401 56.287 -0.218 0.000 0.933 135 K CB -0.089 32.167 32.500 -0.406 0.000 0.721 135 K HN 0.329 nan 8.250 nan 0.000 0.447 136 Y N -0.364 119.975 120.300 0.065 0.000 2.351 136 Y HA 0.131 4.681 4.550 -0.000 0.000 0.291 136 Y C 0.703 176.622 175.900 0.032 0.000 1.153 136 Y CA -0.456 57.673 58.100 0.049 0.000 1.193 136 Y CB 0.481 38.968 38.460 0.045 0.000 1.187 136 Y HN -0.301 nan 8.280 nan 0.000 0.524 137 V N 3.154 123.188 119.914 0.200 0.000 2.432 137 V HA 0.062 4.182 4.120 -0.000 0.000 0.271 137 V C 0.468 176.622 176.094 0.100 0.000 1.046 137 V CA -0.255 62.108 62.300 0.104 0.000 0.945 137 V CB 1.219 33.080 31.823 0.064 0.000 0.992 137 V HN 0.281 nan 8.190 nan 0.000 0.471 138 K N 2.701 123.155 120.400 0.090 0.000 2.352 138 K HA 0.227 4.547 4.320 -0.000 0.000 0.194 138 K C 0.473 177.077 176.600 0.006 0.000 1.038 138 K CA 0.425 56.751 56.287 0.064 0.000 1.023 138 K CB 0.569 33.123 32.500 0.091 0.000 0.840 138 K HN 0.837 nan 8.250 nan 0.000 0.519 139 S N -1.097 114.592 115.700 -0.017 0.000 2.622 139 S HA 0.367 4.837 4.470 -0.000 0.000 0.275 139 S C -1.035 173.522 174.600 -0.071 0.000 1.112 139 S CA -1.221 56.926 58.200 -0.087 0.000 0.837 139 S CB 0.787 63.837 63.200 -0.250 0.000 1.082 139 S HN 0.078 nan 8.310 nan 0.000 0.456 140 C N 1.214 120.493 119.300 -0.035 0.000 2.498 140 C HA 0.956 5.416 4.460 -0.000 0.000 0.316 140 C C -0.068 174.909 174.990 -0.023 0.000 1.209 140 C CA -0.635 58.385 59.018 0.003 0.000 1.518 140 C CB 1.320 29.112 27.740 0.086 0.000 2.147 140 C HN 1.076 nan 8.230 nan 0.000 0.483 141 R N 1.798 122.271 120.500 -0.045 0.000 2.668 141 R HA 0.847 5.187 4.340 -0.000 0.000 0.272 141 R C -2.023 174.205 176.300 -0.120 0.000 1.019 141 R CA -0.524 55.536 56.100 -0.067 0.000 0.894 141 R CB 1.309 31.553 30.300 -0.093 0.000 1.228 141 R HN 0.855 nan 8.270 nan 0.000 0.460 142 I N 3.189 123.650 120.570 -0.182 0.000 2.569 142 I HA 0.478 4.648 4.170 -0.000 0.000 0.290 142 I C -0.509 175.301 176.117 -0.511 0.000 1.088 142 I CA -0.894 60.169 61.300 -0.396 0.000 1.047 142 I CB 2.179 39.837 38.000 -0.571 0.000 1.237 142 I HN 0.551 nan 8.210 nan 0.000 0.421 143 R N 4.954 125.152 120.500 -0.503 0.000 2.912 143 R HA 0.916 5.256 4.340 -0.000 0.000 0.262 143 R C -1.570 174.563 176.300 -0.278 0.000 1.057 143 R CA -0.269 55.619 56.100 -0.352 0.000 0.981 143 R CB 2.477 32.612 30.300 -0.276 0.000 1.201 143 R HN 0.892 nan 8.270 nan 0.000 0.484 144 C N -0.395 118.856 119.300 -0.083 0.000 3.302 144 C HA 0.789 5.249 4.460 -0.000 0.000 0.347 144 C C -0.532 174.443 174.990 -0.025 0.000 1.218 144 C CA -0.422 58.596 59.018 -0.001 0.000 1.234 144 C CB 1.089 28.942 27.740 0.188 0.000 1.551 144 C HN 0.932 nan 8.230 nan 0.000 0.501 145 G N 2.516 111.292 108.800 -0.039 0.000 2.420 145 G HA2 0.837 4.797 3.960 -0.000 0.000 0.331 145 G HA3 0.837 4.797 3.960 -0.000 0.000 0.331 145 G C -1.243 173.624 174.900 -0.055 0.000 1.168 145 G CA -0.512 44.567 45.100 -0.034 0.000 0.936 145 G HN 0.900 nan 8.290 nan 0.000 0.479 146 R N -0.031 120.450 120.500 -0.031 0.000 2.740 146 R HA 0.646 4.986 4.340 -0.000 0.000 0.273 146 R C -1.117 175.226 176.300 0.072 0.000 0.998 146 R CA -0.781 55.309 56.100 -0.017 0.000 0.900 146 R CB 2.069 32.318 30.300 -0.085 0.000 1.223 146 R HN 0.590 nan 8.270 nan 0.000 0.466 147 S N 0.217 115.994 115.700 0.127 0.000 2.532 147 S HA 0.377 4.847 4.470 -0.000 0.000 0.299 147 S C -0.195 174.547 174.600 0.236 0.000 1.105 147 S CA -0.876 57.492 58.200 0.280 0.000 1.018 147 S CB 2.284 65.588 63.200 0.172 0.000 1.021 147 S HN 0.264 nan 8.310 nan 0.000 0.483 148 V N 3.543 123.566 119.914 0.181 0.000 2.397 148 V HA 0.153 4.273 4.120 -0.000 0.000 0.262 148 V C 0.867 176.954 176.094 -0.012 0.000 1.047 148 V CA -0.298 61.980 62.300 -0.036 0.000 1.003 148 V CB -0.025 31.651 31.823 -0.246 0.000 1.037 148 V HN 0.823 nan 8.190 nan 0.000 0.480 149 K N 3.530 123.946 120.400 0.027 0.000 2.542 149 K HA 0.147 4.467 4.320 -0.000 0.000 0.276 149 K C 1.357 177.953 176.600 -0.007 0.000 0.963 149 K CA 1.208 57.501 56.287 0.009 0.000 0.975 149 K CB 0.059 32.563 32.500 0.007 0.000 0.901 149 K HN 1.058 nan 8.250 nan 0.000 0.506 150 G N 0.587 109.377 108.800 -0.016 0.000 2.184 150 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.264 150 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.264 150 G C -0.307 174.601 174.900 0.013 0.000 0.975 150 G CA 0.327 45.426 45.100 -0.001 0.000 0.642 150 G HN 0.465 nan 8.290 nan 0.000 0.536 151 V N 0.244 120.167 119.914 0.015 0.000 2.769 151 V HA 0.580 4.700 4.120 -0.000 0.000 0.312 151 V C 1.254 177.426 176.094 0.130 0.000 1.061 151 V CA -0.933 61.389 62.300 0.036 0.000 0.931 151 V CB 1.611 33.383 31.823 -0.084 0.000 1.010 151 V HN 0.398 nan 8.190 nan 0.000 0.433 152 C N 3.669 123.049 119.300 0.133 0.000 2.703 152 C HA 0.278 4.738 4.460 -0.000 0.000 0.411 152 C C 0.777 175.897 174.990 0.217 0.000 1.290 152 C CA -0.428 58.679 59.018 0.149 0.000 2.054 152 C CB -0.779 27.029 27.740 0.113 0.000 2.732 152 C HN 0.665 nan 8.230 nan 0.000 0.650 153 L N 3.368 124.649 121.223 0.096 0.000 2.468 153 L HA 0.243 4.583 4.340 -0.000 0.000 0.254 153 L C -1.337 175.521 176.870 -0.020 0.000 1.171 153 L CA -1.269 53.513 54.840 -0.097 0.000 0.809 153 L CB -0.294 41.702 42.059 -0.104 0.000 1.155 153 L HN 0.383 nan 8.230 nan 0.000 0.473 154 P HA -0.141 nan 4.420 nan 0.000 0.216 154 P C -1.456 175.863 177.300 0.032 0.000 1.154 154 P CA 1.574 64.675 63.100 0.002 0.000 0.865 154 P CB -0.836 30.851 31.700 -0.021 0.000 0.789 155 P HA -0.099 nan 4.420 nan 0.000 0.221 155 P C 0.676 178.003 177.300 0.044 0.000 1.145 155 P CA 2.046 65.166 63.100 0.034 0.000 0.795 155 P CB -0.354 31.364 31.700 0.030 0.000 0.775 156 A N -2.065 120.788 122.820 0.055 0.000 2.630 156 A HA 0.303 4.623 4.320 -0.000 0.000 0.287 156 A C 0.639 178.258 177.584 0.059 0.000 1.040 156 A CA -0.354 51.716 52.037 0.055 0.000 0.971 156 A CB -0.772 18.264 19.000 0.059 0.000 1.241 156 A HN 0.119 nan 8.150 nan 0.000 0.558 157 M N 0.482 120.124 119.600 0.070 0.000 2.241 157 M HA 0.588 5.068 4.480 -0.000 0.000 0.335 157 M C 0.160 176.496 176.300 0.059 0.000 1.122 157 M CA -0.005 55.341 55.300 0.077 0.000 1.164 157 M CB 0.700 33.371 32.600 0.119 0.000 1.459 157 M HN 0.250 nan 8.290 nan 0.000 0.461 158 S N 1.633 117.361 115.700 0.047 0.000 2.646 158 S HA 0.416 4.886 4.470 -0.000 0.000 0.276 158 S C 0.691 175.318 174.600 0.045 0.000 1.222 158 S CA -0.926 57.300 58.200 0.042 0.000 1.014 158 S CB 1.720 64.937 63.200 0.028 0.000 0.991 158 S HN 0.885 nan 8.310 nan 0.000 0.533 159 R N 0.751 121.280 120.500 0.048 0.000 2.117 159 R HA -0.144 4.196 4.340 -0.000 0.000 0.243 159 R C 2.499 178.817 176.300 0.030 0.000 1.143 159 R CA 1.523 57.648 56.100 0.040 0.000 0.968 159 R CB -0.999 29.328 30.300 0.045 0.000 0.863 159 R HN 0.839 nan 8.270 nan 0.000 0.444 160 A N 1.259 124.099 122.820 0.035 0.000 1.902 160 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 160 A C 1.926 179.517 177.584 0.012 0.000 1.181 160 A CA 1.492 53.544 52.037 0.026 0.000 0.623 160 A CB -0.351 18.671 19.000 0.037 0.000 0.818 160 A HN 0.342 nan 8.150 nan 0.000 0.443 161 E N -0.899 119.311 120.200 0.016 0.000 2.031 161 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 161 E C 2.371 178.966 176.600 -0.008 0.000 0.994 161 E CA 1.159 57.561 56.400 0.004 0.000 0.800 161 E CB -0.231 29.484 29.700 0.025 0.000 0.752 161 E HN 0.574 nan 8.360 nan 0.000 0.447 162 R N 1.138 121.648 120.500 0.017 0.000 2.096 162 R HA -0.185 4.155 4.340 -0.000 0.000 0.240 162 R C 2.344 178.635 176.300 -0.015 0.000 1.139 162 R CA 1.678 57.788 56.100 0.016 0.000 0.952 162 R CB -0.057 30.259 30.300 0.027 0.000 0.854 162 R HN 0.036 nan 8.270 nan 0.000 0.436 163 R N 0.182 120.675 120.500 -0.012 0.000 2.091 163 R HA -0.180 4.160 4.340 -0.000 0.000 0.238 163 R C 2.357 178.629 176.300 -0.046 0.000 1.136 163 R CA 1.595 57.682 56.100 -0.022 0.000 0.959 163 R CB -0.566 29.730 30.300 -0.007 0.000 0.856 163 R HN 0.211 nan 8.270 nan 0.000 0.437 164 L N 0.546 121.741 121.223 -0.046 0.000 2.079 164 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 164 L C 1.942 178.741 176.870 -0.117 0.000 1.081 164 L CA 1.625 56.425 54.840 -0.066 0.000 0.752 164 L CB -0.233 41.796 42.059 -0.051 0.000 0.896 164 L HN -0.053 nan 8.230 nan 0.000 0.433 165 V N -0.423 119.411 119.914 -0.133 0.000 2.453 165 V HA -0.216 3.904 4.120 -0.000 0.000 0.247 165 V C 2.574 178.564 176.094 -0.173 0.000 1.048 165 V CA 1.721 63.906 62.300 -0.192 0.000 1.049 165 V CB -0.478 31.215 31.823 -0.217 0.000 0.672 165 V HN 0.569 nan 8.190 nan 0.000 0.457 166 E N 0.175 120.296 120.200 -0.130 0.000 2.077 166 E HA -0.266 4.084 4.350 -0.000 0.000 0.193 166 E C 2.342 178.801 176.600 -0.236 0.000 0.989 166 E CA 1.145 57.447 56.400 -0.164 0.000 0.800 166 E CB -0.042 29.603 29.700 -0.092 0.000 0.746 166 E HN 0.328 nan 8.360 nan 0.000 0.452 167 K N 0.627 120.923 120.400 -0.173 0.000 2.097 167 K HA -0.076 4.244 4.320 -0.000 0.000 0.205 167 K C 2.049 178.536 176.600 -0.188 0.000 1.050 167 K CA 0.687 56.878 56.287 -0.160 0.000 0.938 167 K CB -0.151 32.291 32.500 -0.097 0.000 0.718 167 K HN 0.084 nan 8.250 nan 0.000 0.442 168 V N 0.664 120.436 119.914 -0.237 0.000 2.379 168 V HA -0.175 3.945 4.120 -0.000 0.000 0.245 168 V C 2.409 178.278 176.094 -0.376 0.000 1.044 168 V CA 1.161 63.240 62.300 -0.367 0.000 1.036 168 V CB 0.055 31.544 31.823 -0.558 0.000 0.664 168 V HN 0.026 nan 8.190 nan 0.000 0.453 169 V N 0.585 120.311 119.914 -0.313 0.000 2.346 169 V HA -0.158 3.962 4.120 -0.000 0.000 0.244 169 V C 2.666 178.609 176.094 -0.252 0.000 1.037 169 V CA 1.973 64.116 62.300 -0.262 0.000 1.029 169 V CB -0.616 31.083 31.823 -0.206 0.000 0.663 169 V HN 0.733 nan 8.190 nan 0.000 0.454 170 S N 0.296 115.812 115.700 -0.307 0.000 2.368 170 S HA -0.257 4.213 4.470 -0.000 0.000 0.225 170 S C 1.629 176.133 174.600 -0.160 0.000 1.030 170 S CA 1.745 59.767 58.200 -0.297 0.000 0.999 170 S CB -0.629 62.234 63.200 -0.561 0.000 0.844 170 S HN 0.538 nan 8.310 nan 0.000 0.459 171 D N 2.569 122.880 120.400 -0.148 0.000 2.123 171 D HA 0.049 4.689 4.640 -0.000 0.000 0.196 171 D C 2.293 178.553 176.300 -0.067 0.000 0.992 171 D CA 1.527 55.479 54.000 -0.081 0.000 0.833 171 D CB -0.718 40.044 40.800 -0.064 0.000 0.954 171 D HN 0.540 nan 8.370 nan 0.000 0.455 172 A N 0.421 123.182 122.820 -0.098 0.000 1.883 172 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 172 A C 2.146 179.661 177.584 -0.114 0.000 1.186 172 A CA 1.042 53.031 52.037 -0.080 0.000 0.624 172 A CB -0.847 18.097 19.000 -0.093 0.000 0.822 172 A HN 0.280 nan 8.150 nan 0.000 0.444 173 L N -0.227 120.883 121.223 -0.188 0.000 2.622 173 L HA 0.010 4.350 4.340 -0.000 0.000 0.233 173 L C 2.272 179.093 176.870 -0.082 0.000 1.156 173 L CA 0.377 55.045 54.840 -0.287 0.000 0.866 173 L CB -0.532 41.122 42.059 -0.675 0.000 0.980 173 L HN 0.440 nan 8.230 nan 0.000 0.448 174 G N -0.148 108.640 108.800 -0.019 0.000 2.848 174 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.208 174 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.208 174 G C 1.281 176.200 174.900 0.031 0.000 1.152 174 G CA 0.502 45.628 45.100 0.044 0.000 0.789 174 G HN 0.475 nan 8.290 nan 0.000 0.531 175 G N -0.053 108.745 108.800 -0.002 0.000 3.393 175 G HA2 0.422 4.382 3.960 -0.000 0.000 0.255 175 G HA3 0.422 4.382 3.960 -0.000 0.000 0.255 175 G C 0.360 175.257 174.900 -0.005 0.000 1.097 175 G CA -0.456 44.641 45.100 -0.005 0.000 0.780 175 G HN 0.306 nan 8.290 nan 0.000 0.540 176 L N 0.489 121.722 121.223 0.016 0.000 2.379 176 L HA 0.564 4.904 4.340 -0.000 0.000 0.269 176 L C 0.198 177.108 176.870 0.067 0.000 1.084 176 L CA -0.454 54.403 54.840 0.029 0.000 0.802 176 L CB 1.543 43.634 42.059 0.053 0.000 1.175 176 L HN -0.020 nan 8.230 nan 0.000 0.448 177 K N 0.507 120.930 120.400 0.038 0.000 2.469 177 K HA 0.701 5.021 4.320 -0.000 0.000 0.268 177 K C -0.044 176.570 176.600 0.024 0.000 1.027 177 K CA -0.419 55.890 56.287 0.037 0.000 0.893 177 K CB 1.908 34.417 32.500 0.015 0.000 1.460 177 K HN 0.717 nan 8.250 nan 0.000 0.449 178 G N 1.689 110.503 108.800 0.022 0.000 2.564 178 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.273 178 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.273 178 G C 0.406 175.320 174.900 0.023 0.000 1.242 178 G CA 0.789 45.896 45.100 0.012 0.000 0.951 178 G HN 0.909 nan 8.290 nan 0.000 0.564 179 D N 0.339 120.743 120.400 0.007 0.000 2.351 179 D HA -0.044 4.596 4.640 -0.000 0.000 0.216 179 D C 2.042 178.364 176.300 0.036 0.000 0.968 179 D CA 1.393 55.402 54.000 0.015 0.000 0.899 179 D CB -0.181 40.618 40.800 -0.003 0.000 0.907 179 D HN 0.476 nan 8.370 nan 0.000 0.514 180 L N -0.171 121.068 121.223 0.027 0.000 2.700 180 L HA 0.387 4.727 4.340 -0.000 0.000 0.234 180 L C 0.764 177.794 176.870 0.266 0.000 1.156 180 L CA -0.446 54.443 54.840 0.082 0.000 0.946 180 L CB -0.011 41.961 42.059 -0.145 0.000 1.216 180 L HN -0.016 nan 8.230 nan 0.000 0.493 181 A N 0.262 123.200 122.820 0.197 0.000 2.401 181 A HA 0.606 4.926 4.320 -0.000 0.000 0.259 181 A C 0.485 178.228 177.584 0.265 0.000 1.103 181 A CA 0.375 52.552 52.037 0.232 0.000 0.789 181 A CB 0.439 19.512 19.000 0.122 0.000 1.035 181 A HN 0.318 nan 8.150 nan 0.000 0.491 182 G N 0.660 109.690 108.800 0.382 0.000 2.827 182 G HA2 0.621 4.581 3.960 -0.000 0.000 0.296 182 G HA3 0.621 4.581 3.960 -0.000 0.000 0.296 182 G C -1.082 173.831 174.900 0.021 0.000 1.362 182 G CA -0.524 44.595 45.100 0.032 0.000 0.809 182 G HN 0.823 nan 8.290 nan 0.000 0.522 183 K N -1.234 118.927 120.400 -0.400 0.000 2.512 183 K HA 0.530 4.850 4.320 -0.000 0.000 0.263 183 K C -2.068 174.270 176.600 -0.437 0.000 0.966 183 K CA -0.844 55.265 56.287 -0.298 0.000 0.851 183 K CB 2.675 34.923 32.500 -0.420 0.000 1.395 183 K HN 0.504 nan 8.250 nan 0.000 0.440 184 Y N 2.014 122.116 120.300 -0.329 0.000 2.330 184 Y HA 0.391 4.941 4.550 -0.000 0.000 0.336 184 Y C -1.691 173.930 175.900 -0.464 0.000 1.036 184 Y CA -0.442 57.549 58.100 -0.180 0.000 1.125 184 Y CB 0.842 39.342 38.460 0.066 0.000 1.194 184 Y HN 0.450 nan 8.280 nan 0.000 0.469 185 Y N 7.713 127.536 120.300 -0.794 0.000 2.575 185 Y HA 0.368 4.918 4.550 -0.000 0.000 0.326 185 Y C -2.288 173.106 175.900 -0.843 0.000 0.979 185 Y CA -2.844 54.857 58.100 -0.666 0.000 1.286 185 Y CB 0.634 38.845 38.460 -0.415 0.000 1.093 185 Y HN 0.505 nan 8.280 nan 0.000 0.501 186 P HA -0.026 nan 4.420 nan 0.000 0.268 186 P C 0.613 177.812 177.300 -0.168 0.000 1.205 186 P CA -0.176 62.707 63.100 -0.362 0.000 0.771 186 P CB 1.844 33.481 31.700 -0.104 0.000 0.858 187 L N 3.793 124.946 121.223 -0.116 0.000 2.056 187 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 187 L C 2.637 179.474 176.870 -0.055 0.000 1.078 187 L CA 2.649 57.438 54.840 -0.085 0.000 0.749 187 L CB -1.712 40.294 42.059 -0.089 0.000 0.901 187 L HN 0.502 nan 8.230 nan 0.000 0.433 188 T N -4.428 110.093 114.554 -0.056 0.000 2.869 188 T HA -0.192 4.158 4.350 -0.000 0.000 0.270 188 T C 1.381 176.075 174.700 -0.011 0.000 1.082 188 T CA 1.691 63.774 62.100 -0.028 0.000 1.123 188 T CB -0.933 67.922 68.868 -0.022 0.000 0.856 188 T HN 0.503 nan 8.240 nan 0.000 0.499 189 T N -2.050 112.492 114.554 -0.019 0.000 3.134 189 T HA 0.462 4.812 4.350 -0.000 0.000 0.260 189 T C 0.299 174.992 174.700 -0.011 0.000 1.027 189 T CA -0.640 61.453 62.100 -0.010 0.000 0.913 189 T CB -0.307 68.555 68.868 -0.009 0.000 1.046 189 T HN 0.393 nan 8.240 nan 0.000 0.553 190 M N 3.612 123.201 119.600 -0.018 0.000 2.185 190 M HA 0.256 4.736 4.480 -0.000 0.000 0.357 190 M C 0.425 176.717 176.300 -0.013 0.000 1.260 190 M CA -0.515 54.771 55.300 -0.023 0.000 1.124 190 M CB 0.743 33.316 32.600 -0.044 0.000 1.600 190 M HN 0.327 nan 8.290 nan 0.000 0.467 191 N N 3.865 122.555 118.700 -0.017 0.000 2.492 191 N HA -0.042 4.698 4.740 -0.000 0.000 0.260 191 N C 0.269 175.770 175.510 -0.015 0.000 1.215 191 N CA 0.055 53.097 53.050 -0.013 0.000 0.923 191 N CB 0.818 39.296 38.487 -0.015 0.000 1.092 191 N HN 0.810 nan 8.380 nan 0.000 0.448 192 E N 2.701 122.897 120.200 -0.007 0.000 2.049 192 E HA -0.242 4.108 4.350 -0.000 0.000 0.198 192 E C 1.445 178.034 176.600 -0.018 0.000 1.007 192 E CA 1.770 58.166 56.400 -0.006 0.000 0.809 192 E CB 0.119 29.818 29.700 -0.000 0.000 0.749 192 E HN 0.660 nan 8.360 nan 0.000 0.450 193 K N 0.592 120.980 120.400 -0.021 0.000 2.020 193 K HA -0.186 4.134 4.320 -0.000 0.000 0.212 193 K C 1.871 178.449 176.600 -0.036 0.000 1.050 193 K CA 1.755 58.026 56.287 -0.027 0.000 0.929 193 K CB -0.130 32.356 32.500 -0.024 0.000 0.714 193 K HN 0.108 nan 8.250 nan 0.000 0.443 194 D N 0.703 121.079 120.400 -0.040 0.000 2.137 194 D HA -0.276 4.364 4.640 -0.000 0.000 0.189 194 D C 1.953 178.215 176.300 -0.063 0.000 0.998 194 D CA 1.435 55.402 54.000 -0.056 0.000 0.839 194 D CB -0.561 40.200 40.800 -0.066 0.000 0.962 194 D HN 0.293 nan 8.370 nan 0.000 0.446 195 Q N 0.662 120.424 119.800 -0.063 0.000 2.118 195 Q HA -0.254 4.086 4.340 -0.000 0.000 0.211 195 Q C 1.763 177.722 176.000 -0.068 0.000 0.998 195 Q CA 1.989 57.749 55.803 -0.071 0.000 0.872 195 Q CB -0.051 28.663 28.738 -0.040 0.000 0.925 195 Q HN 0.416 nan 8.270 nan 0.000 0.414 196 E N -0.478 119.691 120.200 -0.052 0.000 2.347 196 E HA -0.190 4.160 4.350 -0.000 0.000 0.196 196 E C 1.926 178.486 176.600 -0.067 0.000 1.008 196 E CA 0.761 57.127 56.400 -0.057 0.000 0.852 196 E CB 0.040 29.713 29.700 -0.045 0.000 0.783 196 E HN 0.300 nan 8.360 nan 0.000 0.505 197 Q N 0.925 120.691 119.800 -0.058 0.000 2.137 197 Q HA -0.016 4.324 4.340 -0.000 0.000 0.198 197 Q C 1.900 177.874 176.000 -0.043 0.000 0.960 197 Q CA 1.042 56.813 55.803 -0.053 0.000 0.847 197 Q CB 0.042 28.757 28.738 -0.038 0.000 0.915 197 Q HN 0.285 nan 8.270 nan 0.000 0.448 198 L N -0.500 120.709 121.223 -0.024 0.000 2.156 198 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 198 L C 2.135 178.998 176.870 -0.013 0.000 1.095 198 L CA 0.654 55.524 54.840 0.050 0.000 0.770 198 L CB -0.273 41.795 42.059 0.015 0.000 0.914 198 L HN 0.205 nan 8.230 nan 0.000 0.439 199 I N -0.301 120.220 120.570 -0.082 0.000 2.286 199 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 199 I C 2.582 178.590 176.117 -0.183 0.000 1.104 199 I CA 1.125 62.363 61.300 -0.104 0.000 1.397 199 I CB -0.183 37.760 38.000 -0.095 0.000 1.072 199 I HN 0.302 nan 8.210 nan 0.000 0.417 200 E N 1.361 121.444 120.200 -0.196 0.000 2.049 200 E HA -0.281 4.069 4.350 -0.000 0.000 0.198 200 E C 0.994 177.286 176.600 -0.513 0.000 1.007 200 E CA 1.868 58.098 56.400 -0.283 0.000 0.809 200 E CB 0.060 29.651 29.700 -0.183 0.000 0.749 200 E HN 0.374 nan 8.360 nan 0.000 0.450 201 D N -0.378 119.764 120.400 -0.429 0.000 2.338 201 D HA -0.066 4.574 4.640 -0.000 0.000 0.239 201 D C -0.148 175.649 176.300 -0.839 0.000 1.095 201 D CA 0.539 54.170 54.000 -0.614 0.000 0.888 201 D CB -0.069 40.432 40.800 -0.497 0.000 0.899 201 D HN 0.355 nan 8.370 nan 0.000 0.525 202 H N -2.317 116.529 119.070 -0.374 0.000 3.641 202 H HA -0.209 4.347 4.556 -0.000 0.000 0.193 202 H C 0.917 176.194 175.328 -0.086 0.000 1.013 202 H CA 0.782 56.697 56.048 -0.222 0.000 1.212 202 H CB -1.799 27.817 29.762 -0.243 0.000 1.089 202 H HN 0.254 nan 8.280 nan 0.000 0.339 203 F N 0.332 120.371 119.950 0.149 0.000 2.118 203 F HA 0.118 4.645 4.527 -0.000 0.000 0.293 203 F C 1.684 177.694 175.800 0.349 0.000 1.102 203 F CA 0.590 58.699 58.000 0.181 0.000 1.247 203 F CB -0.209 38.817 39.000 0.045 0.000 1.017 203 F HN 0.066 nan 8.300 nan 0.000 0.475 204 L N 0.144 121.546 121.223 0.298 0.000 2.399 204 L HA 0.384 4.724 4.340 -0.000 0.000 0.265 204 L C -0.321 176.338 176.870 -0.352 0.000 1.089 204 L CA -1.252 53.518 54.840 -0.117 0.000 0.802 204 L CB 0.390 42.247 42.059 -0.338 0.000 1.180 204 L HN 0.027 nan 8.230 nan 0.000 0.454 205 F N 0.172 119.579 119.950 -0.905 0.000 2.410 205 F HA 0.466 4.993 4.527 -0.000 0.000 0.334 205 F C 0.437 176.034 175.800 -0.338 0.000 1.134 205 F CA -0.975 56.475 58.000 -0.917 0.000 1.227 205 F CB -0.386 37.799 39.000 -1.359 0.000 1.194 205 F HN 0.711 nan 8.300 nan 0.000 0.571 206 E N 1.859 122.101 120.200 0.070 0.000 2.392 206 E HA 0.194 4.544 4.350 -0.000 0.000 0.256 206 E C -0.771 175.859 176.600 0.050 0.000 1.145 206 E CA -0.904 55.512 56.400 0.026 0.000 0.929 206 E CB 0.580 30.264 29.700 -0.027 0.000 0.998 206 E HN 0.660 nan 8.360 nan 0.000 0.442 207 K N 1.332 121.713 120.400 -0.033 0.000 2.518 207 K HA 0.032 4.352 4.320 -0.000 0.000 0.276 207 K C -1.775 174.632 176.600 -0.322 0.000 0.974 207 K CA -0.893 55.313 56.287 -0.135 0.000 0.986 207 K CB 0.058 32.490 32.500 -0.113 0.000 0.901 207 K HN 0.491 nan 8.250 nan 0.000 0.497 208 P HA -0.029 nan 4.420 nan 0.000 0.232 208 P C -0.168 176.870 177.300 -0.437 0.000 1.738 208 P CA 0.382 62.983 63.100 -0.832 0.000 0.948 208 P CB -0.507 30.282 31.700 -1.518 0.000 1.943 209 T N -4.305 110.082 114.554 -0.279 0.000 3.040 209 T HA 0.240 4.590 4.350 -0.000 0.000 0.266 209 T C 1.078 175.703 174.700 -0.125 0.000 1.005 209 T CA -0.286 61.710 62.100 -0.174 0.000 0.906 209 T CB -0.017 68.773 68.868 -0.130 0.000 1.082 209 T HN 0.163 nan 8.240 nan 0.000 0.531 210 G N 0.720 109.437 108.800 -0.139 0.000 2.414 210 G HA2 0.429 4.389 3.960 -0.000 0.000 0.236 210 G HA3 0.429 4.389 3.960 -0.000 0.000 0.236 210 G C 1.133 175.995 174.900 -0.063 0.000 1.293 210 G CA -0.146 44.896 45.100 -0.097 0.000 0.869 210 G HN 0.400 nan 8.290 nan 0.000 0.556 211 A N 2.610 125.413 122.820 -0.028 0.000 1.902 211 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 211 A C 2.283 179.859 177.584 -0.015 0.000 1.181 211 A CA 1.809 53.841 52.037 -0.009 0.000 0.623 211 A CB -0.419 18.594 19.000 0.022 0.000 0.818 211 A HN 0.887 nan 8.150 nan 0.000 0.443 212 L N -0.556 120.658 121.223 -0.015 0.000 1.973 212 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 212 L C 2.247 179.103 176.870 -0.024 0.000 1.073 212 L CA 2.290 57.121 54.840 -0.015 0.000 0.746 212 L CB -0.923 41.129 42.059 -0.013 0.000 0.891 212 L HN 0.318 nan 8.230 nan 0.000 0.433 213 L N -0.344 120.856 121.223 -0.039 0.000 2.064 213 L HA -0.302 4.038 4.340 -0.000 0.000 0.216 213 L C 2.496 179.339 176.870 -0.044 0.000 1.077 213 L CA 2.919 57.729 54.840 -0.049 0.000 0.766 213 L CB -0.936 41.067 42.059 -0.094 0.000 0.890 213 L HN 0.771 nan 8.230 nan 0.000 0.435 214 T N -5.185 109.336 114.554 -0.054 0.000 2.781 214 T HA -0.120 4.230 4.350 -0.000 0.000 0.252 214 T C 1.825 176.516 174.700 -0.015 0.000 1.039 214 T CA 1.169 63.241 62.100 -0.047 0.000 1.147 214 T CB -1.276 67.553 68.868 -0.065 0.000 0.865 214 T HN 0.507 nan 8.240 nan 0.000 0.423 215 T N 1.175 115.722 114.554 -0.013 0.000 3.025 215 T HA -0.045 4.305 4.350 -0.000 0.000 0.270 215 T C 2.037 176.739 174.700 0.004 0.000 1.126 215 T CA 1.298 63.398 62.100 0.000 0.000 1.105 215 T CB -0.827 68.040 68.868 -0.002 0.000 0.884 215 T HN 0.597 nan 8.240 nan 0.000 0.522 216 S N -0.256 115.444 115.700 -0.000 0.000 2.556 216 S HA 0.510 4.980 4.470 -0.000 0.000 0.216 216 S C 1.879 176.486 174.600 0.013 0.000 0.970 216 S CA 0.227 58.428 58.200 0.001 0.000 0.912 216 S CB -0.237 62.960 63.200 -0.004 0.000 0.790 216 S HN 1.112 nan 8.310 nan 0.000 0.504 217 G N 0.192 109.006 108.800 0.023 0.000 2.194 217 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.236 217 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.236 217 G C 0.760 175.692 174.900 0.054 0.000 0.987 217 G CA -0.039 45.085 45.100 0.041 0.000 0.635 217 G HN 0.584 nan 8.290 nan 0.000 0.520 218 C N 1.309 120.636 119.300 0.045 0.000 2.511 218 C HA 0.560 5.020 4.460 -0.000 0.000 0.277 218 C C 2.426 177.495 174.990 0.131 0.000 1.451 218 C CA 1.214 60.272 59.018 0.066 0.000 1.735 218 C CB -1.016 26.746 27.740 0.037 0.000 1.704 218 C HN 0.986 nan 8.230 nan 0.000 0.571 219 A N -0.202 122.687 122.820 0.114 0.000 2.564 219 A HA 0.280 4.600 4.320 -0.000 0.000 0.279 219 A C 0.511 178.223 177.584 0.213 0.000 1.232 219 A CA -0.341 51.801 52.037 0.174 0.000 0.950 219 A CB -0.106 18.875 19.000 -0.032 0.000 1.138 219 A HN 0.579 nan 8.150 nan 0.000 0.526 220 R N 1.687 122.288 120.500 0.169 0.000 2.449 220 R HA 0.239 4.579 4.340 -0.000 0.000 0.296 220 R C -0.624 175.775 176.300 0.164 0.000 1.047 220 R CA 0.142 56.328 56.100 0.143 0.000 1.018 220 R CB 0.088 30.451 30.300 0.105 0.000 0.962 220 R HN 0.338 nan 8.270 nan 0.000 0.428 221 D N 0.718 121.212 120.400 0.156 0.000 2.835 221 D HA -0.221 4.419 4.640 -0.000 0.000 0.230 221 D C -0.535 175.856 176.300 0.152 0.000 1.130 221 D CA 0.706 54.782 54.000 0.128 0.000 0.738 221 D CB -0.890 39.957 40.800 0.078 0.000 1.090 221 D HN 0.593 nan 8.370 nan 0.000 0.433 222 W N 1.415 122.729 121.300 0.024 0.000 2.231 222 W HA 0.122 4.782 4.660 -0.000 0.000 0.341 222 W C -1.540 174.999 176.519 0.034 0.000 1.298 222 W CA -0.456 56.905 57.345 0.027 0.000 1.266 222 W CB 0.481 29.952 29.460 0.019 0.000 1.172 222 W HN 0.002 nan 8.180 nan 0.000 0.568 223 P HA 0.020 nan 4.420 nan 0.000 0.278 223 P C -0.421 176.643 177.300 -0.394 0.000 1.502 223 P CA -0.108 62.544 63.100 -0.747 0.000 1.114 223 P CB -0.030 31.335 31.700 -0.558 0.000 1.541 224 D N 1.444 121.737 120.400 -0.178 0.000 2.658 224 D HA 0.074 4.714 4.640 -0.000 0.000 0.230 224 D C 1.641 177.877 176.300 -0.107 0.000 1.118 224 D CA 2.387 56.332 54.000 -0.091 0.000 0.848 224 D CB -0.053 40.729 40.800 -0.029 0.000 1.160 224 D HN 0.326 nan 8.370 nan 0.000 0.497 225 G N 3.450 112.218 108.800 -0.053 0.000 2.205 225 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.261 225 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.261 225 G C 0.446 175.338 174.900 -0.014 0.000 0.980 225 G CA 0.392 45.479 45.100 -0.022 0.000 0.632 225 G HN 0.598 nan 8.290 nan 0.000 0.533 226 R N 0.392 120.827 120.500 -0.109 0.000 2.368 226 R HA 0.701 5.041 4.340 -0.000 0.000 0.302 226 R C 0.658 177.005 176.300 0.078 0.000 1.002 226 R CA 0.781 56.821 56.100 -0.099 0.000 0.929 226 R CB 1.726 31.712 30.300 -0.522 0.000 1.073 226 R HN 0.932 nan 8.270 nan 0.000 0.464 227 G N 1.069 110.030 108.800 0.269 0.000 2.451 227 G HA2 0.365 4.325 3.960 -0.000 0.000 0.292 227 G HA3 0.365 4.325 3.960 -0.000 0.000 0.292 227 G C -1.824 173.237 174.900 0.269 0.000 1.427 227 G CA -0.752 44.433 45.100 0.141 0.000 0.792 227 G HN 0.529 nan 8.290 nan 0.000 0.498 228 I N -0.201 120.410 120.570 0.068 0.000 2.441 228 I HA 0.742 4.912 4.170 -0.000 0.000 0.295 228 I C -0.940 175.373 176.117 0.328 0.000 0.994 228 I CA -1.274 60.174 61.300 0.247 0.000 1.144 228 I CB 1.455 39.518 38.000 0.105 0.000 1.314 228 I HN 0.687 nan 8.210 nan 0.000 0.445 229 W N 8.367 129.851 121.300 0.308 0.000 2.417 229 W HA 0.550 5.210 4.660 -0.000 0.000 0.317 229 W C -1.097 175.548 176.519 0.209 0.000 1.121 229 W CA 0.140 57.629 57.345 0.240 0.000 1.208 229 W CB 0.653 30.260 29.460 0.245 0.000 1.253 229 W HN 0.668 nan 8.180 nan 0.000 0.533 230 H N 2.328 120.917 119.070 -0.803 0.000 3.037 230 H HA 0.468 5.024 4.556 -0.000 0.000 0.355 230 H C -0.361 174.202 175.328 -1.275 0.000 1.263 230 H CA -1.236 54.231 56.048 -0.967 0.000 1.129 230 H CB 0.430 29.977 29.762 -0.358 0.000 1.861 230 H HN 0.444 nan 8.280 nan 0.000 0.546 231 N N 0.651 119.012 118.700 -0.566 0.000 2.381 231 N HA 0.046 4.786 4.740 -0.000 0.000 0.289 231 N C 0.200 175.700 175.510 -0.017 0.000 1.288 231 N CA -0.400 52.532 53.050 -0.197 0.000 0.960 231 N CB 0.056 38.603 38.487 0.100 0.000 1.116 231 N HN 0.674 nan 8.380 nan 0.000 0.557 232 N N -0.269 118.430 118.700 -0.001 0.000 2.216 232 N HA -0.069 4.671 4.740 -0.000 0.000 0.183 232 N C 0.974 176.447 175.510 -0.061 0.000 1.017 232 N CA 0.877 53.921 53.050 -0.009 0.000 0.861 232 N CB -0.143 38.346 38.487 0.003 0.000 0.986 232 N HN 0.611 nan 8.380 nan 0.000 0.428 233 E N 0.505 120.675 120.200 -0.050 0.000 2.358 233 E HA 0.012 4.362 4.350 -0.000 0.000 0.195 233 E C -0.099 176.395 176.600 -0.178 0.000 1.010 233 E CA 0.163 56.520 56.400 -0.071 0.000 0.856 233 E CB 0.102 29.797 29.700 -0.008 0.000 0.795 233 E HN 0.175 nan 8.360 nan 0.000 0.504 234 K N 0.678 120.917 120.400 -0.269 0.000 3.035 234 K HA -0.205 4.115 4.320 -0.000 0.000 0.262 234 K C 0.178 176.622 176.600 -0.260 0.000 1.024 234 K CA 0.715 56.700 56.287 -0.503 0.000 0.748 234 K CB -1.246 30.613 32.500 -1.069 0.000 1.247 234 K HN 0.272 nan 8.250 nan 0.000 0.482 235 N N -0.134 118.555 118.700 -0.019 0.000 2.282 235 N HA 0.044 4.784 4.740 -0.000 0.000 0.185 235 N C -0.152 175.505 175.510 0.246 0.000 1.099 235 N CA 0.086 53.201 53.050 0.110 0.000 0.878 235 N CB 0.358 38.913 38.487 0.114 0.000 0.993 235 N HN 0.199 nan 8.380 nan 0.000 0.481 236 F N 0.861 120.872 119.950 0.102 0.000 2.518 236 F HA 0.643 5.170 4.527 -0.000 0.000 0.323 236 F C -1.547 174.461 175.800 0.346 0.000 1.129 236 F CA -1.137 56.998 58.000 0.225 0.000 0.920 236 F CB 1.007 40.168 39.000 0.269 0.000 1.160 236 F HN -0.176 nan 8.300 nan 0.000 0.440 237 L N 5.248 126.409 121.223 -0.104 0.000 2.403 237 L HA 0.824 5.164 4.340 -0.000 0.000 0.253 237 L C -1.285 175.604 176.870 0.033 0.000 1.045 237 L CA -1.119 53.827 54.840 0.177 0.000 0.845 237 L CB 2.059 44.225 42.059 0.179 0.000 1.447 237 L HN 0.281 nan 8.230 nan 0.000 0.411 238 V N -0.124 119.988 119.914 0.330 0.000 2.610 238 V HA 0.377 4.497 4.120 -0.000 0.000 0.298 238 V C -1.503 174.870 176.094 0.465 0.000 1.067 238 V CA -0.441 61.980 62.300 0.202 0.000 0.894 238 V CB 1.961 33.829 31.823 0.074 0.000 1.015 238 V HN 0.559 nan 8.190 nan 0.000 0.432 239 W N 5.554 126.993 121.300 0.232 0.000 2.335 239 W HA 0.622 5.282 4.660 -0.000 0.000 0.306 239 W C -0.205 176.468 176.519 0.256 0.000 1.216 239 W CA -1.393 56.158 57.345 0.343 0.000 1.237 239 W CB 0.731 30.449 29.460 0.431 0.000 1.243 239 W HN 0.343 nan 8.180 nan 0.000 0.493 240 I N 5.381 126.253 120.570 0.503 0.000 2.328 240 I HA 0.137 4.307 4.170 -0.000 0.000 0.287 240 I C 0.250 176.488 176.117 0.201 0.000 1.012 240 I CA -0.391 61.083 61.300 0.291 0.000 1.195 240 I CB 0.649 38.785 38.000 0.226 0.000 1.350 240 I HN 0.413 nan 8.210 nan 0.000 0.464 241 N N 2.937 121.710 118.700 0.122 0.000 2.952 241 N HA -0.173 4.567 4.740 -0.000 0.000 0.245 241 N C 0.603 176.046 175.510 -0.111 0.000 1.029 241 N CA 0.892 53.960 53.050 0.031 0.000 0.870 241 N CB -0.736 37.760 38.487 0.014 0.000 1.121 241 N HN 0.749 nan 8.380 nan 0.000 0.559 242 E N 0.949 121.027 120.200 -0.203 0.000 3.798 242 E HA 0.016 4.366 4.350 -0.000 0.000 0.565 242 E C 1.182 177.728 176.600 -0.091 0.000 0.242 242 E CA 0.092 56.266 56.400 -0.376 0.000 3.433 242 E CB 0.071 29.299 29.700 -0.788 0.000 2.362 242 E HN 0.340 nan 8.360 nan 0.000 0.333 243 E N -0.181 119.989 120.200 -0.050 0.000 2.204 243 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 243 E C -0.297 176.293 176.600 -0.016 0.000 0.990 243 E CA 0.977 57.375 56.400 -0.004 0.000 0.821 243 E CB 0.227 29.941 29.700 0.023 0.000 0.750 243 E HN 0.196 nan 8.360 nan 0.000 0.477 244 D N -2.517 117.885 120.400 0.003 0.000 2.523 244 D HA 0.140 4.780 4.640 -0.000 0.000 0.236 244 D C 0.281 176.587 176.300 0.011 0.000 1.094 244 D CA -0.518 53.454 54.000 -0.047 0.000 0.942 244 D CB 0.905 41.698 40.800 -0.012 0.000 1.447 244 D HN 0.120 nan 8.370 nan 0.000 0.479 245 H N -0.029 119.059 119.070 0.030 0.000 2.353 245 H HA -0.037 4.519 4.556 -0.000 0.000 0.298 245 H C 0.286 175.634 175.328 0.033 0.000 1.103 245 H CA 1.134 57.192 56.048 0.017 0.000 1.293 245 H CB 0.265 30.026 29.762 -0.003 0.000 1.372 245 H HN 0.204 nan 8.280 nan 0.000 0.501 246 I N -0.098 120.564 120.570 0.153 0.000 2.680 246 I HA 0.307 4.477 4.170 -0.000 0.000 0.291 246 I C -0.852 175.314 176.117 0.081 0.000 1.244 246 I CA -0.776 60.590 61.300 0.111 0.000 1.042 246 I CB 2.547 40.575 38.000 0.046 0.000 1.277 246 I HN -0.026 nan 8.210 nan 0.000 0.423 247 R N 4.777 125.335 120.500 0.096 0.000 2.473 247 R HA 0.526 4.866 4.340 -0.000 0.000 0.303 247 R C -1.234 174.998 176.300 -0.113 0.000 1.002 247 R CA -0.794 55.295 56.100 -0.019 0.000 0.884 247 R CB 2.420 32.692 30.300 -0.046 0.000 1.173 247 R HN 0.343 nan 8.270 nan 0.000 0.464 248 V N 5.732 125.588 119.914 -0.096 0.000 2.498 248 V HA 0.426 4.546 4.120 -0.000 0.000 0.279 248 V C 0.539 176.564 176.094 -0.115 0.000 1.048 248 V CA -0.237 61.984 62.300 -0.133 0.000 0.967 248 V CB 1.212 33.013 31.823 -0.037 0.000 0.988 248 V HN 0.540 nan 8.190 nan 0.000 0.473 249 I N 3.468 123.885 120.570 -0.254 0.000 2.608 249 I HA 0.534 4.704 4.170 -0.000 0.000 0.295 249 I C -0.207 175.887 176.117 -0.038 0.000 1.049 249 I CA -0.157 61.040 61.300 -0.172 0.000 1.063 249 I CB 2.347 40.185 38.000 -0.270 0.000 1.248 249 I HN 0.566 nan 8.210 nan 0.000 0.424 250 S N 6.898 122.660 115.700 0.102 0.000 2.557 250 S HA 0.891 5.361 4.470 -0.000 0.000 0.291 250 S C -0.794 173.877 174.600 0.118 0.000 1.116 250 S CA -0.618 57.714 58.200 0.221 0.000 0.992 250 S CB 0.839 64.272 63.200 0.388 0.000 1.028 250 S HN 0.588 nan 8.310 nan 0.000 0.484 251 M N 3.100 122.782 119.600 0.137 0.000 2.644 251 M HA 0.648 5.128 4.480 -0.000 0.000 0.273 251 M C -1.783 174.588 176.300 0.120 0.000 1.253 251 M CA -0.888 54.471 55.300 0.099 0.000 0.852 251 M CB 2.000 34.648 32.600 0.081 0.000 1.708 251 M HN 0.635 nan 8.290 nan 0.000 0.471 252 Q N 0.565 120.416 119.800 0.085 0.000 2.594 252 Q HA 0.515 4.855 4.340 -0.000 0.000 0.278 252 Q C -2.100 173.931 176.000 0.052 0.000 0.961 252 Q CA -1.117 54.739 55.803 0.087 0.000 0.844 252 Q CB 2.286 31.078 28.738 0.090 0.000 1.475 252 Q HN 0.799 nan 8.270 nan 0.000 0.389 253 K N 0.930 121.361 120.400 0.052 0.000 2.326 253 K HA 0.651 4.971 4.320 -0.000 0.000 0.275 253 K C 0.237 176.864 176.600 0.044 0.000 1.018 253 K CA 1.142 57.446 56.287 0.029 0.000 0.962 253 K CB 1.030 33.550 32.500 0.032 0.000 0.953 253 K HN 0.926 nan 8.250 nan 0.000 0.475 254 G N 0.716 109.543 108.800 0.044 0.000 2.447 254 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.220 254 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.220 254 G C 0.297 175.258 174.900 0.101 0.000 1.261 254 G CA -0.481 44.660 45.100 0.069 0.000 1.000 254 G HN 0.684 nan 8.290 nan 0.000 0.515 255 G N -0.908 107.977 108.800 0.141 0.000 3.159 255 G HA2 0.383 4.343 3.960 -0.000 0.000 0.232 255 G HA3 0.383 4.343 3.960 -0.000 0.000 0.232 255 G C 0.263 175.321 174.900 0.263 0.000 1.116 255 G CA 1.107 46.350 45.100 0.238 0.000 0.767 255 G HN 0.676 nan 8.290 nan 0.000 0.547 256 D N 1.504 122.002 120.400 0.163 0.000 2.551 256 D HA 0.085 4.725 4.640 -0.000 0.000 0.223 256 D C 1.531 177.921 176.300 0.150 0.000 1.144 256 D CA -0.362 53.715 54.000 0.127 0.000 1.025 256 D CB 0.084 40.939 40.800 0.092 0.000 1.085 256 D HN 0.065 nan 8.370 nan 0.000 0.506 257 L N 2.564 123.905 121.223 0.197 0.000 2.201 257 L HA -0.101 4.239 4.340 -0.000 0.000 0.212 257 L C 2.028 179.022 176.870 0.206 0.000 1.105 257 L CA 0.992 55.958 54.840 0.211 0.000 0.775 257 L CB 0.063 42.309 42.059 0.312 0.000 0.913 257 L HN 0.242 nan 8.230 nan 0.000 0.440 258 K N -0.223 120.283 120.400 0.175 0.000 2.155 258 K HA -0.098 4.222 4.320 -0.000 0.000 0.203 258 K C 1.950 178.688 176.600 0.230 0.000 1.052 258 K CA 1.120 57.545 56.287 0.230 0.000 0.948 258 K CB 0.064 32.656 32.500 0.154 0.000 0.728 258 K HN 0.329 nan 8.250 nan 0.000 0.448 259 A N 0.392 123.305 122.820 0.155 0.000 1.898 259 A HA -0.032 4.288 4.320 -0.000 0.000 0.214 259 A C 2.143 179.796 177.584 0.116 0.000 1.183 259 A CA 1.099 53.198 52.037 0.103 0.000 0.622 259 A CB -0.537 18.511 19.000 0.081 0.000 0.824 259 A HN 0.122 nan 8.150 nan 0.000 0.444 260 V N -0.806 119.203 119.914 0.159 0.000 2.370 260 V HA -0.274 3.846 4.120 -0.000 0.000 0.252 260 V C 2.281 178.548 176.094 0.288 0.000 1.068 260 V CA 2.316 64.728 62.300 0.185 0.000 1.061 260 V CB -0.902 31.010 31.823 0.148 0.000 0.656 260 V HN 0.639 nan 8.190 nan 0.000 0.455 261 F N 0.502 120.515 119.950 0.105 0.000 2.293 261 F HA 0.003 4.530 4.527 -0.000 0.000 0.297 261 F C 2.583 178.412 175.800 0.048 0.000 1.089 261 F CA 1.184 59.280 58.000 0.160 0.000 1.377 261 F CB -0.604 38.497 39.000 0.168 0.000 1.051 261 F HN 0.139 nan 8.300 nan 0.000 0.511 262 S N 0.486 116.067 115.700 -0.199 0.000 2.348 262 S HA -0.235 4.235 4.470 -0.000 0.000 0.221 262 S C 2.457 176.810 174.600 -0.411 0.000 1.033 262 S CA 1.507 59.203 58.200 -0.840 0.000 1.010 262 S CB -0.487 62.317 63.200 -0.660 0.000 0.891 262 S HN 0.504 nan 8.310 nan 0.000 0.442 263 R N -0.910 119.516 120.500 -0.122 0.000 2.148 263 R HA -0.054 4.286 4.340 -0.000 0.000 0.223 263 R C 2.137 178.488 176.300 0.085 0.000 1.088 263 R CA 1.334 57.410 56.100 -0.039 0.000 0.985 263 R CB -0.507 29.821 30.300 0.046 0.000 0.880 263 R HN 0.562 nan 8.270 nan 0.000 0.451 264 F N 1.202 121.214 119.950 0.103 0.000 2.146 264 F HA -0.057 4.470 4.527 -0.000 0.000 0.298 264 F C 1.924 177.810 175.800 0.143 0.000 1.096 264 F CA 1.204 59.334 58.000 0.216 0.000 1.275 264 F CB -0.488 38.677 39.000 0.275 0.000 1.008 264 F HN 0.066 nan 8.300 nan 0.000 0.480 265 A N 1.097 123.782 122.820 -0.226 0.000 1.825 265 A HA -0.131 4.189 4.320 -0.000 0.000 0.214 265 A C 2.436 179.854 177.584 -0.276 0.000 1.206 265 A CA 1.469 53.301 52.037 -0.341 0.000 0.609 265 A CB -1.144 17.699 19.000 -0.262 0.000 0.851 265 A HN 0.354 nan 8.150 nan 0.000 0.445 266 R N -0.846 119.517 120.500 -0.228 0.000 2.190 266 R HA -0.251 4.089 4.340 -0.000 0.000 0.255 266 R C 2.190 178.343 176.300 -0.244 0.000 1.143 266 R CA 2.125 58.100 56.100 -0.208 0.000 0.965 266 R CB -0.895 29.280 30.300 -0.209 0.000 0.889 266 R HN 0.576 nan 8.270 nan 0.000 0.448 267 G N 0.408 109.032 108.800 -0.294 0.000 2.396 267 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.214 267 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.214 267 G C 1.337 176.204 174.900 -0.055 0.000 1.166 267 G CA 0.354 45.211 45.100 -0.406 0.000 0.793 267 G HN 0.253 nan 8.290 nan 0.000 0.533 268 L N 0.826 121.975 121.223 -0.122 0.000 1.944 268 L HA -0.024 4.316 4.340 -0.000 0.000 0.218 268 L C 2.806 179.583 176.870 -0.154 0.000 1.075 268 L CA 1.632 56.350 54.840 -0.203 0.000 0.767 268 L CB -0.844 40.888 42.059 -0.545 0.000 0.890 268 L HN 0.216 nan 8.230 nan 0.000 0.434 269 L N -0.501 120.617 121.223 -0.176 0.000 2.082 269 L HA -0.348 3.992 4.340 -0.000 0.000 0.223 269 L C 2.714 179.524 176.870 -0.098 0.000 1.086 269 L CA 1.742 56.510 54.840 -0.120 0.000 0.793 269 L CB -0.784 41.206 42.059 -0.115 0.000 0.896 269 L HN 0.441 nan 8.230 nan 0.000 0.441 270 E N -0.386 119.747 120.200 -0.112 0.000 2.051 270 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 270 E C 2.288 178.840 176.600 -0.080 0.000 0.991 270 E CA 1.298 57.638 56.400 -0.099 0.000 0.799 270 E CB -0.323 29.297 29.700 -0.133 0.000 0.748 270 E HN 0.333 nan 8.360 nan 0.000 0.449 271 V N 1.445 121.319 119.914 -0.067 0.000 2.515 271 V HA -0.204 3.916 4.120 -0.000 0.000 0.250 271 V C 2.073 178.124 176.094 -0.072 0.000 1.058 271 V CA 1.664 63.922 62.300 -0.070 0.000 1.064 271 V CB -0.407 31.392 31.823 -0.040 0.000 0.675 271 V HN 0.251 nan 8.190 nan 0.000 0.461 272 E N -0.314 119.843 120.200 -0.071 0.000 2.208 272 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 272 E C 2.403 178.982 176.600 -0.036 0.000 0.988 272 E CA 0.507 56.874 56.400 -0.054 0.000 0.828 272 E CB -0.084 29.580 29.700 -0.059 0.000 0.763 272 E HN 0.448 nan 8.360 nan 0.000 0.478 273 R N 0.903 121.376 120.500 -0.045 0.000 2.062 273 R HA -0.070 4.270 4.340 -0.000 0.000 0.229 273 R C 2.184 178.464 176.300 -0.032 0.000 1.128 273 R CA 0.853 56.929 56.100 -0.039 0.000 0.960 273 R CB -0.068 30.204 30.300 -0.047 0.000 0.855 273 R HN 0.145 nan 8.270 nan 0.000 0.432 274 L N 0.274 121.474 121.223 -0.037 0.000 2.376 274 L HA -0.087 4.253 4.340 -0.000 0.000 0.219 274 L C 2.400 179.272 176.870 0.003 0.000 1.133 274 L CA 0.410 55.233 54.840 -0.027 0.000 0.816 274 L CB -0.156 41.875 42.059 -0.047 0.000 0.933 274 L HN 0.224 nan 8.230 nan 0.000 0.449 275 M N -0.543 119.061 119.600 0.007 0.000 2.236 275 M HA -0.112 4.368 4.480 -0.000 0.000 0.266 275 M C 2.193 178.540 176.300 0.077 0.000 1.070 275 M CA 1.489 56.830 55.300 0.067 0.000 1.137 275 M CB -0.568 32.049 32.600 0.027 0.000 1.378 275 M HN 0.131 nan 8.290 nan 0.000 0.426 276 K N 0.346 120.756 120.400 0.017 0.000 2.001 276 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 276 K C 1.908 178.483 176.600 -0.043 0.000 1.048 276 K CA 1.405 57.684 56.287 -0.014 0.000 0.932 276 K CB -0.101 32.388 32.500 -0.018 0.000 0.715 276 K HN 0.244 nan 8.250 nan 0.000 0.437 277 E N -0.099 120.082 120.200 -0.033 0.000 2.147 277 E HA -0.249 4.101 4.350 -0.000 0.000 0.199 277 E C 1.395 177.958 176.600 -0.063 0.000 1.005 277 E CA 1.425 57.800 56.400 -0.042 0.000 0.810 277 E CB 0.007 29.689 29.700 -0.030 0.000 0.736 277 E HN 0.361 nan 8.360 nan 0.000 0.460 278 C N -0.569 118.695 119.300 -0.060 0.000 2.618 278 C HA 0.302 4.762 4.460 -0.000 0.000 0.264 278 C C 1.400 176.115 174.990 -0.459 0.000 1.334 278 C CA 0.479 59.424 59.018 -0.120 0.000 1.731 278 C CB -0.568 27.238 27.740 0.109 0.000 1.852 278 C HN 0.727 nan 8.230 nan 0.000 0.566 279 G N 0.761 109.328 108.800 -0.389 0.000 2.140 279 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.211 279 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.211 279 G C -0.464 174.144 174.900 -0.487 0.000 1.013 279 G CA -0.157 44.707 45.100 -0.394 0.000 0.705 279 G HN 0.740 nan 8.290 nan 0.000 0.508 280 H N -0.194 118.854 119.070 -0.035 0.000 2.685 280 H HA 0.570 5.126 4.556 -0.000 0.000 0.307 280 H C 0.851 176.164 175.328 -0.025 0.000 1.017 280 H CA -0.087 55.939 56.048 -0.037 0.000 1.237 280 H CB 1.295 31.026 29.762 -0.052 0.000 1.409 280 H HN 0.446 nan 8.280 nan 0.000 0.488 281 G N 3.328 112.164 108.800 0.060 0.000 2.378 281 G HA2 0.335 4.295 3.960 -0.000 0.000 0.255 281 G HA3 0.335 4.295 3.960 -0.000 0.000 0.255 281 G C -0.096 174.847 174.900 0.072 0.000 1.270 281 G CA -0.630 44.499 45.100 0.048 0.000 0.876 281 G HN 0.502 nan 8.290 nan 0.000 0.521 282 L N 1.808 123.093 121.223 0.104 0.000 2.418 282 L HA 0.301 4.641 4.340 -0.000 0.000 0.265 282 L C 1.055 178.016 176.870 0.152 0.000 1.143 282 L CA -0.670 54.255 54.840 0.142 0.000 0.809 282 L CB 1.023 43.201 42.059 0.198 0.000 1.124 282 L HN 0.372 nan 8.230 nan 0.000 0.456 283 M N 2.319 121.999 119.600 0.133 0.000 2.435 283 M HA 0.049 4.529 4.480 -0.000 0.000 0.338 283 M C -0.610 175.731 176.300 0.070 0.000 1.628 283 M CA 0.562 55.899 55.300 0.061 0.000 1.215 283 M CB -0.425 32.178 32.600 0.005 0.000 1.905 283 M HN 0.425 nan 8.290 nan 0.000 0.457 284 H N 2.423 121.419 119.070 -0.123 0.000 2.690 284 H HA 0.543 5.099 4.556 -0.000 0.000 0.368 284 H C -1.213 173.974 175.328 -0.235 0.000 1.150 284 H CA -0.755 55.123 56.048 -0.283 0.000 1.174 284 H CB 1.318 30.831 29.762 -0.414 0.000 1.684 284 H HN 0.635 nan 8.280 nan 0.000 0.538 285 N N 1.571 119.836 118.700 -0.725 0.000 2.381 285 N HA 0.147 4.887 4.740 -0.000 0.000 0.294 285 N C -0.046 175.244 175.510 -0.367 0.000 1.216 285 N CA -0.473 52.331 53.050 -0.409 0.000 0.803 285 N CB 1.969 40.212 38.487 -0.407 0.000 1.372 285 N HN 0.703 nan 8.380 nan 0.000 0.500 286 D N -0.188 120.139 120.400 -0.121 0.000 2.216 286 D HA 0.163 4.803 4.640 -0.000 0.000 0.208 286 D C 1.447 177.744 176.300 -0.006 0.000 0.960 286 D CA 1.034 55.026 54.000 -0.014 0.000 0.861 286 D CB 0.366 41.183 40.800 0.028 0.000 0.985 286 D HN 0.434 nan 8.370 nan 0.000 0.493 287 R N -0.683 119.807 120.500 -0.018 0.000 2.090 287 R HA 0.206 4.546 4.340 -0.000 0.000 0.219 287 R C 1.784 178.087 176.300 0.004 0.000 1.100 287 R CA 0.462 56.601 56.100 0.066 0.000 0.991 287 R CB 0.187 30.556 30.300 0.114 0.000 0.893 287 R HN 0.190 nan 8.270 nan 0.000 0.443 288 L N -0.471 120.622 121.223 -0.215 0.000 2.585 288 L HA 0.285 4.625 4.340 -0.000 0.000 0.226 288 L C 1.154 177.655 176.870 -0.615 0.000 1.113 288 L CA 0.240 54.817 54.840 -0.438 0.000 0.876 288 L CB 0.324 42.066 42.059 -0.529 0.000 1.072 288 L HN 0.411 nan 8.230 nan 0.000 0.468 289 G N -0.282 108.165 108.800 -0.589 0.000 2.509 289 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.259 289 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.259 289 G C -0.429 173.908 174.900 -0.938 0.000 1.169 289 G CA -0.231 44.430 45.100 -0.732 0.000 0.953 289 G HN 0.044 nan 8.290 nan 0.000 0.563 290 Y N 0.134 120.193 120.300 -0.402 0.000 2.314 290 Y HA 0.650 5.200 4.550 -0.000 0.000 0.334 290 Y C 1.151 176.873 175.900 -0.297 0.000 1.266 290 Y CA 0.112 58.069 58.100 -0.239 0.000 1.391 290 Y CB 0.822 39.250 38.460 -0.052 0.000 1.306 290 Y HN 0.474 nan 8.280 nan 0.000 0.558 291 I N 2.096 122.626 120.570 -0.066 0.000 2.500 291 I HA 0.287 4.457 4.170 -0.000 0.000 0.286 291 I C -0.871 175.175 176.117 -0.119 0.000 1.063 291 I CA -0.149 61.028 61.300 -0.205 0.000 1.062 291 I CB 1.027 38.821 38.000 -0.344 0.000 1.223 291 I HN 0.627 nan 8.210 nan 0.000 0.435 292 C N 2.251 121.496 119.300 -0.091 0.000 2.880 292 C HA 0.342 4.802 4.460 -0.000 0.000 0.387 292 C C 2.192 177.204 174.990 0.037 0.000 2.619 292 C CA -0.177 58.817 59.018 -0.040 0.000 1.790 292 C CB 1.570 29.294 27.740 -0.027 0.000 2.560 292 C HN 0.793 nan 8.230 nan 0.000 0.452 293 T N -0.302 114.269 114.554 0.028 0.000 2.821 293 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 293 T C 0.429 175.199 174.700 0.118 0.000 1.046 293 T CA 1.222 63.364 62.100 0.071 0.000 1.139 293 T CB -0.119 68.746 68.868 -0.005 0.000 0.871 293 T HN 0.758 nan 8.240 nan 0.000 0.454 294 C N 1.861 121.210 119.300 0.081 0.000 2.379 294 C HA 0.493 4.953 4.460 -0.000 0.000 0.323 294 C C -1.672 173.370 174.990 0.087 0.000 1.262 294 C CA -2.332 56.701 59.018 0.024 0.000 1.581 294 C CB 1.405 29.130 27.740 -0.026 0.000 2.221 294 C HN 0.201 nan 8.230 nan 0.000 0.497 295 P HA -0.174 nan 4.420 nan 0.000 0.218 295 P C 1.694 179.094 177.300 0.168 0.000 1.146 295 P CA 2.844 66.048 63.100 0.173 0.000 0.820 295 P CB -0.018 31.712 31.700 0.049 0.000 0.778 296 T N -4.200 110.358 114.554 0.007 0.000 2.788 296 T HA -0.114 4.236 4.350 -0.000 0.000 0.268 296 T C 1.034 175.742 174.700 0.013 0.000 1.044 296 T CA 1.095 63.124 62.100 -0.118 0.000 1.139 296 T CB -0.891 67.796 68.868 -0.302 0.000 0.867 296 T HN -0.034 nan 8.240 nan 0.000 0.454 297 N N 1.872 120.570 118.700 -0.004 0.000 3.083 297 N HA 0.482 5.222 4.740 -0.000 0.000 0.260 297 N C -0.736 174.743 175.510 -0.052 0.000 1.163 297 N CA 0.113 53.145 53.050 -0.030 0.000 1.060 297 N CB 0.359 38.824 38.487 -0.038 0.000 1.345 297 N HN 0.579 nan 8.380 nan 0.000 0.515 298 M N -1.414 118.115 119.600 -0.118 0.000 2.779 298 M HA 0.451 4.931 4.480 -0.000 0.000 0.277 298 M C 0.987 177.049 176.300 -0.397 0.000 1.284 298 M CA -0.658 54.478 55.300 -0.273 0.000 0.801 298 M CB 2.144 34.529 32.600 -0.359 0.000 1.712 298 M HN 0.454 nan 8.290 nan 0.000 0.453 299 G N 0.744 109.195 108.800 -0.583 0.000 2.687 299 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.303 299 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.303 299 G C 0.704 175.394 174.900 -0.351 0.000 1.209 299 G CA 1.344 45.879 45.100 -0.942 0.000 0.968 299 G HN 0.962 nan 8.290 nan 0.000 0.549 300 T N -0.898 113.612 114.554 -0.072 0.000 3.067 300 T HA 0.293 4.643 4.350 -0.000 0.000 0.261 300 T C 1.815 176.556 174.700 0.069 0.000 1.110 300 T CA 1.877 64.069 62.100 0.154 0.000 1.113 300 T CB -0.097 68.885 68.868 0.189 0.000 0.917 300 T HN 2.177 nan 8.240 nan 0.000 0.499 301 V N -0.290 119.611 119.914 -0.021 0.000 2.956 301 V HA -0.195 3.925 4.120 -0.000 0.000 0.165 301 V C 0.796 176.869 176.094 -0.036 0.000 0.450 301 V CA 0.699 62.976 62.300 -0.038 0.000 1.165 301 V CB -3.061 28.740 31.823 -0.036 0.000 1.346 301 V HN 0.552 nan 8.190 nan 0.000 1.106 302 V N 0.610 120.512 119.914 -0.020 0.000 2.686 302 V HA 0.395 4.515 4.120 -0.000 0.000 0.295 302 V C 0.681 176.704 176.094 -0.118 0.000 1.055 302 V CA 0.265 62.519 62.300 -0.078 0.000 1.050 302 V CB 1.516 33.306 31.823 -0.055 0.000 0.984 302 V HN 0.576 nan 8.190 nan 0.000 0.482 303 R N 3.188 123.583 120.500 -0.175 0.000 2.507 303 R HA 0.630 4.970 4.340 -0.000 0.000 0.298 303 R C -0.648 175.535 176.300 -0.194 0.000 1.087 303 R CA -0.331 55.677 56.100 -0.153 0.000 0.917 303 R CB 1.294 31.514 30.300 -0.133 0.000 1.173 303 R HN 0.840 nan 8.270 nan 0.000 0.472 304 A N 2.344 125.057 122.820 -0.178 0.000 2.310 304 A HA 0.660 4.980 4.320 -0.000 0.000 0.299 304 A C -0.557 176.967 177.584 -0.100 0.000 1.147 304 A CA -0.388 51.539 52.037 -0.184 0.000 0.818 304 A CB 1.116 19.989 19.000 -0.211 0.000 1.096 304 A HN 0.768 nan 8.150 nan 0.000 0.495 305 S N 0.235 115.889 115.700 -0.078 0.000 2.556 305 S HA 0.759 5.229 4.470 -0.000 0.000 0.271 305 S C -0.658 173.937 174.600 -0.009 0.000 1.135 305 S CA -0.039 58.147 58.200 -0.024 0.000 0.858 305 S CB 1.086 64.288 63.200 0.003 0.000 1.114 305 S HN 2.068 nan 8.310 nan 0.000 0.468 306 V N -0.894 119.030 119.914 0.018 0.000 3.040 306 V HA 0.653 4.773 4.120 -0.000 0.000 0.312 306 V C -0.942 175.250 176.094 0.163 0.000 1.115 306 V CA -0.897 61.415 62.300 0.020 0.000 0.998 306 V CB 1.556 33.316 31.823 -0.104 0.000 1.042 306 V HN 1.082 nan 8.190 nan 0.000 0.433 307 H N 2.835 121.871 119.070 -0.056 0.000 2.597 307 H HA 0.544 5.100 4.556 -0.000 0.000 0.303 307 H C -1.014 174.312 175.328 -0.003 0.000 1.057 307 H CA -0.532 55.496 56.048 -0.033 0.000 1.261 307 H CB 1.700 31.417 29.762 -0.076 0.000 1.397 307 H HN 0.513 nan 8.280 nan 0.000 0.461 308 L N 4.916 126.205 121.223 0.111 0.000 2.343 308 L HA 0.359 4.699 4.340 -0.000 0.000 0.278 308 L C -0.390 176.579 176.870 0.165 0.000 0.996 308 L CA -0.795 54.106 54.840 0.103 0.000 0.831 308 L CB 1.401 43.487 42.059 0.046 0.000 1.232 308 L HN 0.562 nan 8.230 nan 0.000 0.413 309 R N 5.466 126.076 120.500 0.184 0.000 2.221 309 R HA 0.497 4.837 4.340 -0.000 0.000 0.327 309 R C -1.259 175.187 176.300 0.242 0.000 1.033 309 R CA -0.334 55.874 56.100 0.179 0.000 0.887 309 R CB 0.627 30.988 30.300 0.103 0.000 1.057 309 R HN 0.701 nan 8.270 nan 0.000 0.455 310 L N 5.617 126.956 121.223 0.193 0.000 2.679 310 L HA 0.375 4.715 4.340 -0.000 0.000 0.238 310 L C 1.193 178.106 176.870 0.072 0.000 1.330 310 L CA -0.413 54.500 54.840 0.122 0.000 0.935 310 L CB 1.293 43.309 42.059 -0.071 0.000 1.243 310 L HN 0.883 nan 8.230 nan 0.000 0.484 311 A N 0.645 123.519 122.820 0.089 0.000 1.971 311 A HA -0.220 4.100 4.320 -0.000 0.000 0.222 311 A C 1.717 179.134 177.584 -0.278 0.000 1.182 311 A CA 2.164 54.124 52.037 -0.129 0.000 0.649 311 A CB -0.393 18.458 19.000 -0.249 0.000 0.818 311 A HN 0.545 nan 8.150 nan 0.000 0.458 312 F N -2.046 117.894 119.950 -0.018 0.000 2.500 312 F HA 0.272 4.799 4.527 -0.000 0.000 0.285 312 F C 1.901 177.649 175.800 -0.087 0.000 1.088 312 F CA 0.342 58.322 58.000 -0.033 0.000 1.432 312 F CB -0.201 38.793 39.000 -0.010 0.000 1.131 312 F HN 0.115 nan 8.300 nan 0.000 0.582 313 L N 0.795 122.026 121.223 0.012 0.000 2.156 313 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 313 L C 2.381 178.991 176.870 -0.433 0.000 1.095 313 L CA 1.269 55.992 54.840 -0.194 0.000 0.770 313 L CB -0.361 41.518 42.059 -0.299 0.000 0.914 313 L HN 0.256 nan 8.230 nan 0.000 0.439 314 E N -0.635 119.252 120.200 -0.522 0.000 2.268 314 E HA -0.269 4.081 4.350 -0.000 0.000 0.195 314 E C 1.641 178.147 176.600 -0.157 0.000 0.995 314 E CA 0.916 56.967 56.400 -0.582 0.000 0.836 314 E CB -0.059 29.506 29.700 -0.226 0.000 0.763 314 E HN 0.238 nan 8.360 nan 0.000 0.491 315 K N 0.383 120.739 120.400 -0.074 0.000 2.418 315 K HA 0.053 4.373 4.320 -0.000 0.000 0.195 315 K C 0.447 177.072 176.600 0.041 0.000 1.035 315 K CA 0.264 56.552 56.287 0.001 0.000 1.003 315 K CB 0.006 32.507 32.500 0.001 0.000 0.793 315 K HN 0.268 nan 8.250 nan 0.000 0.494 316 H N 0.866 119.913 119.070 -0.037 0.000 2.548 316 H HA 0.078 4.634 4.556 -0.000 0.000 0.331 316 H C -1.806 173.551 175.328 0.047 0.000 1.093 316 H CA -1.819 54.231 56.048 0.004 0.000 1.367 316 H CB 1.521 31.279 29.762 -0.006 0.000 1.455 316 H HN -0.097 nan 8.280 nan 0.000 0.519 317 P HA -0.059 nan 4.420 nan 0.000 0.222 317 P C 0.345 177.624 177.300 -0.035 0.000 1.147 317 P CA 0.996 63.970 63.100 -0.209 0.000 0.790 317 P CB 0.299 31.824 31.700 -0.291 0.000 0.780 318 R N -1.815 118.784 120.500 0.165 0.000 2.609 318 R HA 0.177 4.517 4.340 -0.000 0.000 0.326 318 R C 1.391 177.865 176.300 0.290 0.000 1.090 318 R CA -0.457 55.796 56.100 0.255 0.000 1.072 318 R CB -0.487 29.993 30.300 0.300 0.000 1.330 318 R HN 0.050 nan 8.270 nan 0.000 0.572 319 F N 2.457 122.470 119.950 0.104 0.000 2.031 319 F HA -0.189 4.338 4.527 -0.000 0.000 0.295 319 F C 1.591 177.336 175.800 -0.092 0.000 1.133 319 F CA 1.591 59.576 58.000 -0.025 0.000 1.188 319 F CB -0.110 38.844 39.000 -0.077 0.000 0.974 319 F HN 0.001 nan 8.300 nan 0.000 0.473 320 D N 0.046 120.257 120.400 -0.315 0.000 2.178 320 D HA -0.186 4.454 4.640 -0.000 0.000 0.202 320 D C 2.188 178.336 176.300 -0.253 0.000 0.974 320 D CA 1.221 54.952 54.000 -0.449 0.000 0.841 320 D CB -0.380 40.220 40.800 -0.334 0.000 0.953 320 D HN 0.572 nan 8.370 nan 0.000 0.478 321 E N 0.688 120.811 120.200 -0.128 0.000 2.038 321 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 321 E C 2.163 178.712 176.600 -0.085 0.000 1.000 321 E CA 0.859 57.209 56.400 -0.084 0.000 0.803 321 E CB -0.116 29.570 29.700 -0.024 0.000 0.750 321 E HN 0.134 nan 8.360 nan 0.000 0.448 322 M N 0.485 120.053 119.600 -0.053 0.000 2.080 322 M HA -0.191 4.289 4.480 -0.000 0.000 0.260 322 M C 2.178 178.424 176.300 -0.090 0.000 1.068 322 M CA 1.471 56.746 55.300 -0.042 0.000 1.109 322 M CB -0.056 32.552 32.600 0.014 0.000 1.342 322 M HN 0.192 nan 8.290 nan 0.000 0.405 323 L N -0.721 120.400 121.223 -0.170 0.000 2.012 323 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 323 L C 2.630 179.392 176.870 -0.180 0.000 1.073 323 L CA 1.485 56.204 54.840 -0.201 0.000 0.748 323 L CB -1.639 40.203 42.059 -0.362 0.000 0.891 323 L HN 0.503 nan 8.230 nan 0.000 0.431 324 G N -0.276 108.398 108.800 -0.211 0.000 2.432 324 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.219 324 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.219 324 G C 1.731 176.531 174.900 -0.166 0.000 1.135 324 G CA 0.475 45.437 45.100 -0.229 0.000 0.767 324 G HN 0.303 nan 8.290 nan 0.000 0.550 325 K N -0.439 119.894 120.400 -0.111 0.000 2.167 325 K HA 0.220 4.540 4.320 -0.000 0.000 0.203 325 K C 2.001 178.571 176.600 -0.051 0.000 1.052 325 K CA 0.192 56.440 56.287 -0.065 0.000 0.956 325 K CB -0.097 32.378 32.500 -0.042 0.000 0.735 325 K HN 0.245 nan 8.250 nan 0.000 0.451 326 L N 0.929 122.118 121.223 -0.057 0.000 2.627 326 L HA 0.073 4.413 4.340 -0.000 0.000 0.233 326 L C -0.153 176.698 176.870 -0.031 0.000 1.144 326 L CA -0.052 54.768 54.840 -0.034 0.000 0.892 326 L CB -0.013 42.029 42.059 -0.029 0.000 1.039 326 L HN 0.141 nan 8.230 nan 0.000 0.442 327 R N 0.419 120.881 120.500 -0.064 0.000 3.416 327 R HA -0.154 4.186 4.340 -0.000 0.000 0.263 327 R C -0.858 175.459 176.300 0.028 0.000 1.053 327 R CA 0.722 56.790 56.100 -0.053 0.000 0.705 327 R CB -2.528 27.766 30.300 -0.011 0.000 1.124 327 R HN 0.318 nan 8.270 nan 0.000 0.444 328 L N -0.956 120.265 121.223 -0.004 0.000 2.346 328 L HA 0.679 5.019 4.340 -0.000 0.000 0.274 328 L C 1.350 178.274 176.870 0.091 0.000 1.007 328 L CA -0.669 54.204 54.840 0.054 0.000 0.818 328 L CB 2.067 44.127 42.059 0.001 0.000 1.284 328 L HN 0.141 nan 8.230 nan 0.000 0.424 329 G N 1.026 109.963 108.800 0.228 0.000 2.528 329 G HA2 0.487 4.447 3.960 -0.000 0.000 0.289 329 G HA3 0.487 4.447 3.960 -0.000 0.000 0.289 329 G C -1.193 173.785 174.900 0.130 0.000 1.192 329 G CA -0.373 44.909 45.100 0.303 0.000 0.921 329 G HN 0.588 nan 8.290 nan 0.000 0.512 330 K N -0.022 120.460 120.400 0.136 0.000 2.427 330 K HA 0.639 4.959 4.320 -0.000 0.000 0.252 330 K C -0.670 176.119 176.600 0.315 0.000 0.931 330 K CA -0.784 55.567 56.287 0.106 0.000 0.793 330 K CB 1.586 33.996 32.500 -0.150 0.000 1.211 330 K HN 0.585 nan 8.250 nan 0.000 0.426 331 R N 1.455 122.185 120.500 0.383 0.000 2.680 331 R HA 0.349 4.689 4.340 -0.000 0.000 0.269 331 R C -0.297 176.218 176.300 0.359 0.000 1.026 331 R CA -1.043 55.292 56.100 0.391 0.000 0.889 331 R CB 1.830 32.235 30.300 0.175 0.000 1.241 331 R HN 0.806 nan 8.270 nan 0.000 0.463 332 G N -0.241 108.671 108.800 0.186 0.000 2.653 332 G HA2 0.086 4.046 3.960 -0.000 0.000 0.265 332 G HA3 0.086 4.046 3.960 -0.000 0.000 0.265 332 G C 0.572 175.437 174.900 -0.059 0.000 1.237 332 G CA -0.323 44.812 45.100 0.058 0.000 0.946 332 G HN 0.508 nan 8.290 nan 0.000 0.522 333 T N -0.010 114.468 114.554 -0.127 0.000 2.915 333 T HA -0.028 4.322 4.350 -0.000 0.000 0.269 333 T C 2.080 176.813 174.700 0.055 0.000 1.071 333 T CA 1.402 63.395 62.100 -0.178 0.000 1.132 333 T CB -0.069 68.729 68.868 -0.116 0.000 0.878 333 T HN 0.600 nan 8.240 nan 0.000 0.479 334 G N 0.076 108.905 108.800 0.049 0.000 3.371 334 G HA2 0.506 4.466 3.960 -0.000 0.000 0.248 334 G HA3 0.506 4.466 3.960 -0.000 0.000 0.248 334 G C 0.693 175.629 174.900 0.059 0.000 1.161 334 G CA 0.115 45.271 45.100 0.093 0.000 0.796 334 G HN 0.779 nan 8.290 nan 0.000 0.539 335 G N 0.182 109.012 108.800 0.049 0.000 2.548 335 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.208 335 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.208 335 G C 0.629 175.499 174.900 -0.050 0.000 1.308 335 G CA 0.337 45.459 45.100 0.038 0.000 0.924 335 G HN 0.280 nan 8.290 nan 0.000 0.540 336 E N 0.008 120.177 120.200 -0.052 0.000 2.070 336 E HA -0.117 4.233 4.350 -0.000 0.000 0.197 336 E C 1.769 178.176 176.600 -0.321 0.000 1.004 336 E CA 1.898 58.240 56.400 -0.096 0.000 0.805 336 E CB -0.300 29.367 29.700 -0.055 0.000 0.744 336 E HN 0.824 nan 8.360 nan 0.000 0.451 337 S N 0.700 116.100 115.700 -0.500 0.000 3.548 337 S HA 0.316 4.786 4.470 -0.000 0.000 0.195 337 S C -0.510 173.389 174.600 -1.167 0.000 1.432 337 S CA -0.197 57.281 58.200 -1.204 0.000 1.087 337 S CB 0.285 62.976 63.200 -0.848 0.000 1.337 337 S HN 0.300 nan 8.310 nan 0.000 0.505 338 S N 0.840 116.055 115.700 -0.809 0.000 2.587 338 S HA 0.712 5.182 4.470 -0.000 0.000 0.269 338 S C -1.076 173.427 174.600 -0.162 0.000 1.154 338 S CA -1.151 56.865 58.200 -0.307 0.000 0.824 338 S CB 0.666 63.763 63.200 -0.171 0.000 1.118 338 S HN 0.362 nan 8.310 nan 0.000 0.462 339 L N 1.337 122.528 121.223 -0.053 0.000 2.313 339 L HA 0.848 5.188 4.340 -0.000 0.000 0.268 339 L C 0.972 177.833 176.870 -0.015 0.000 1.010 339 L CA -1.189 53.599 54.840 -0.087 0.000 0.814 339 L CB 1.323 43.382 42.059 0.001 0.000 1.304 339 L HN 1.060 nan 8.230 nan 0.000 0.441 340 A N 0.654 123.485 122.820 0.018 0.000 2.536 340 A HA 0.410 4.730 4.320 -0.000 0.000 0.234 340 A C 0.165 177.638 177.584 -0.185 0.000 1.076 340 A CA 0.444 52.297 52.037 -0.306 0.000 0.769 340 A CB -0.183 18.238 19.000 -0.966 0.000 1.020 340 A HN 0.770 nan 8.150 nan 0.000 0.508 341 T N -1.703 112.729 114.554 -0.203 0.000 2.912 341 T HA 0.514 4.864 4.350 -0.000 0.000 0.299 341 T C -0.436 174.195 174.700 -0.115 0.000 1.052 341 T CA 0.064 62.096 62.100 -0.113 0.000 0.996 341 T CB 1.584 70.415 68.868 -0.063 0.000 1.070 341 T HN 0.857 nan 8.240 nan 0.000 0.465 342 D N 1.273 121.627 120.400 -0.076 0.000 2.701 342 D HA -0.222 4.418 4.640 -0.000 0.000 0.235 342 D C 0.515 176.776 176.300 -0.066 0.000 1.155 342 D CA 1.550 55.514 54.000 -0.059 0.000 0.649 342 D CB -1.559 39.217 40.800 -0.039 0.000 1.050 342 D HN 0.998 nan 8.370 nan 0.000 0.425 343 S N -2.165 113.482 115.700 -0.088 0.000 3.380 343 S HA -0.217 4.253 4.470 -0.000 0.000 0.300 343 S C 0.381 174.970 174.600 -0.019 0.000 1.255 343 S CA 1.322 59.507 58.200 -0.025 0.000 0.963 343 S CB -1.197 62.009 63.200 0.010 0.000 1.106 343 S HN 0.553 nan 8.310 nan 0.000 0.629 344 T N 1.245 115.673 114.554 -0.210 0.000 2.824 344 T HA 0.648 4.998 4.350 -0.000 0.000 0.280 344 T C -0.742 173.728 174.700 -0.383 0.000 0.995 344 T CA -0.198 61.813 62.100 -0.148 0.000 1.009 344 T CB 0.920 69.722 68.868 -0.110 0.000 0.955 344 T HN 0.200 nan 8.240 nan 0.000 0.452 345 Y N 0.910 121.179 120.300 -0.051 0.000 2.354 345 Y HA 0.246 4.796 4.550 -0.000 0.000 0.330 345 Y C 0.210 176.058 175.900 -0.086 0.000 1.011 345 Y CA -1.287 56.800 58.100 -0.022 0.000 1.099 345 Y CB 1.182 39.702 38.460 0.100 0.000 1.179 345 Y HN 0.586 nan 8.280 nan 0.000 0.442 346 D N 4.574 124.958 120.400 -0.026 0.000 2.502 346 D HA 0.003 4.643 4.640 -0.000 0.000 0.249 346 D C -0.677 175.700 176.300 0.128 0.000 1.188 346 D CA 0.950 54.979 54.000 0.048 0.000 0.890 346 D CB 0.467 41.304 40.800 0.062 0.000 1.140 346 D HN 0.340 nan 8.370 nan 0.000 0.505 347 I N 3.101 123.731 120.570 0.100 0.000 2.466 347 I HA 0.176 4.346 4.170 -0.000 0.000 0.289 347 I C 0.395 176.536 176.117 0.039 0.000 1.026 347 I CA -0.660 60.680 61.300 0.068 0.000 1.078 347 I CB 1.239 39.264 38.000 0.042 0.000 1.249 347 I HN 0.312 nan 8.210 nan 0.000 0.429 348 S N 5.281 121.008 115.700 0.045 0.000 2.704 348 S HA 0.577 5.047 4.470 -0.000 0.000 0.296 348 S C -0.627 173.997 174.600 0.040 0.000 1.138 348 S CA -1.000 57.213 58.200 0.023 0.000 0.875 348 S CB 2.267 65.475 63.200 0.014 0.000 1.151 348 S HN 0.634 nan 8.310 nan 0.000 0.500 349 N N 0.679 119.389 118.700 0.017 0.000 2.525 349 N HA -0.006 4.734 4.740 -0.000 0.000 0.271 349 N C 0.154 175.719 175.510 0.093 0.000 1.194 349 N CA -0.635 52.446 53.050 0.053 0.000 0.964 349 N CB 0.731 39.229 38.487 0.019 0.000 1.126 349 N HN 0.923 nan 8.380 nan 0.000 0.452 350 W N 1.650 122.921 121.300 -0.048 0.000 2.644 350 W HA 0.269 4.929 4.660 -0.000 0.000 0.279 350 W C -0.091 176.397 176.519 -0.051 0.000 1.164 350 W CA 0.586 57.892 57.345 -0.064 0.000 1.457 350 W CB -0.065 29.337 29.460 -0.096 0.000 1.087 350 W HN 0.588 nan 8.180 nan 0.000 0.573 351 A N 1.982 124.936 122.820 0.224 0.000 2.425 351 A HA 0.308 4.628 4.320 -0.000 0.000 0.249 351 A C 0.717 178.393 177.584 0.153 0.000 1.084 351 A CA 0.143 52.316 52.037 0.228 0.000 0.781 351 A CB 0.335 19.479 19.000 0.239 0.000 1.019 351 A HN 0.448 nan 8.150 nan 0.000 0.490 352 R N 1.224 121.852 120.500 0.214 0.000 2.556 352 R HA 0.296 4.636 4.340 -0.000 0.000 0.276 352 R C -0.343 175.875 176.300 -0.136 0.000 0.931 352 R CA -0.258 55.862 56.100 0.034 0.000 1.061 352 R CB 0.454 30.757 30.300 0.005 0.000 1.432 352 R HN 0.606 nan 8.270 nan 0.000 0.547 353 L N 0.494 121.500 121.223 -0.362 0.000 2.329 353 L HA 0.484 4.824 4.340 -0.000 0.000 0.279 353 L C 0.364 177.065 176.870 -0.281 0.000 1.014 353 L CA 0.221 54.677 54.840 -0.640 0.000 0.814 353 L CB 1.764 43.048 42.059 -1.292 0.000 1.257 353 L HN 0.481 nan 8.230 nan 0.000 0.424 354 G N 3.048 111.831 108.800 -0.028 0.000 2.194 354 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.236 354 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.236 354 G C 0.020 175.036 174.900 0.194 0.000 0.987 354 G CA -0.070 45.159 45.100 0.215 0.000 0.635 354 G HN 0.540 nan 8.290 nan 0.000 0.520 355 K N 0.094 120.580 120.400 0.143 0.000 2.509 355 K HA 0.644 4.964 4.320 -0.000 0.000 0.266 355 K C 0.276 176.909 176.600 0.054 0.000 0.987 355 K CA -0.149 56.184 56.287 0.078 0.000 0.868 355 K CB 1.971 34.531 32.500 0.101 0.000 1.421 355 K HN 0.393 nan 8.250 nan 0.000 0.444 356 S N 0.023 115.741 115.700 0.030 0.000 2.645 356 S HA 0.132 4.602 4.470 -0.000 0.000 0.266 356 S C 0.806 175.475 174.600 0.114 0.000 1.258 356 S CA -0.265 57.966 58.200 0.051 0.000 0.990 356 S CB 1.122 64.351 63.200 0.048 0.000 0.967 356 S HN 0.606 nan 8.310 nan 0.000 0.556 357 E N 0.586 120.888 120.200 0.171 0.000 2.085 357 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 357 E C 2.174 178.872 176.600 0.163 0.000 0.994 357 E CA 1.303 57.827 56.400 0.207 0.000 0.801 357 E CB -0.184 29.743 29.700 0.378 0.000 0.743 357 E HN 0.661 nan 8.360 nan 0.000 0.453 358 R N 0.948 121.598 120.500 0.251 0.000 2.073 358 R HA -0.172 4.168 4.340 -0.000 0.000 0.234 358 R C 1.887 178.249 176.300 0.104 0.000 1.134 358 R CA 1.568 57.812 56.100 0.241 0.000 0.952 358 R CB -0.069 30.386 30.300 0.258 0.000 0.850 358 R HN 0.240 nan 8.270 nan 0.000 0.433 359 E N 0.568 120.821 120.200 0.089 0.000 2.049 359 E HA -0.244 4.106 4.350 -0.000 0.000 0.198 359 E C 2.128 178.752 176.600 0.040 0.000 1.007 359 E CA 1.820 58.258 56.400 0.064 0.000 0.809 359 E CB -0.262 29.477 29.700 0.066 0.000 0.749 359 E HN 0.358 nan 8.360 nan 0.000 0.450 360 L N 0.640 121.879 121.223 0.027 0.000 2.131 360 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 360 L C 2.472 179.314 176.870 -0.048 0.000 1.092 360 L CA 0.567 55.408 54.840 0.002 0.000 0.759 360 L CB -0.354 41.705 42.059 0.000 0.000 0.903 360 L HN 0.029 nan 8.230 nan 0.000 0.435 361 V N -0.701 119.144 119.914 -0.116 0.000 2.453 361 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 361 V C 2.416 178.489 176.094 -0.035 0.000 1.048 361 V CA 1.612 63.809 62.300 -0.171 0.000 1.049 361 V CB -0.374 31.188 31.823 -0.435 0.000 0.672 361 V HN 0.407 nan 8.190 nan 0.000 0.457 362 Q N -0.076 119.729 119.800 0.007 0.000 2.230 362 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 362 Q C 1.995 178.025 176.000 0.050 0.000 0.963 362 Q CA 1.443 57.274 55.803 0.047 0.000 0.866 362 Q CB -0.285 28.486 28.738 0.056 0.000 0.931 362 Q HN 0.478 nan 8.270 nan 0.000 0.452 363 V N 0.325 120.262 119.914 0.037 0.000 2.295 363 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 363 V C 2.248 178.367 176.094 0.041 0.000 1.049 363 V CA 1.753 64.077 62.300 0.040 0.000 1.024 363 V CB -0.684 31.163 31.823 0.039 0.000 0.648 363 V HN 0.456 nan 8.190 nan 0.000 0.447 364 L N -0.110 121.132 121.223 0.031 0.000 2.013 364 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 364 L C 2.451 179.371 176.870 0.082 0.000 1.073 364 L CA 1.952 56.812 54.840 0.033 0.000 0.753 364 L CB -0.229 41.837 42.059 0.011 0.000 0.890 364 L HN 0.230 nan 8.230 nan 0.000 0.432 365 V N -0.078 119.924 119.914 0.147 0.000 2.261 365 V HA -0.303 3.817 4.120 -0.000 0.000 0.246 365 V C 2.201 178.414 176.094 0.198 0.000 1.047 365 V CA 2.080 64.549 62.300 0.282 0.000 1.015 365 V CB -0.686 31.270 31.823 0.223 0.000 0.642 365 V HN 0.462 nan 8.190 nan 0.000 0.446 366 D N 0.903 121.370 120.400 0.111 0.000 2.092 366 D HA -0.143 4.497 4.640 -0.000 0.000 0.193 366 D C 2.245 178.580 176.300 0.059 0.000 0.994 366 D CA 1.786 55.831 54.000 0.075 0.000 0.828 366 D CB -0.959 39.872 40.800 0.050 0.000 0.963 366 D HN 0.432 nan 8.370 nan 0.000 0.450 367 G N 0.617 109.444 108.800 0.045 0.000 2.556 367 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.220 367 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.220 367 G C 1.764 176.669 174.900 0.009 0.000 1.156 367 G CA 1.206 46.318 45.100 0.020 0.000 0.766 367 G HN 0.310 nan 8.290 nan 0.000 0.583 368 V N 0.999 120.921 119.914 0.014 0.000 2.871 368 V HA -0.061 4.059 4.120 -0.000 0.000 0.256 368 V C 2.428 178.521 176.094 -0.002 0.000 1.082 368 V CA 1.255 63.522 62.300 -0.055 0.000 1.105 368 V CB -0.228 31.446 31.823 -0.248 0.000 0.713 368 V HN 0.319 nan 8.190 nan 0.000 0.473 369 N N 0.292 119.049 118.700 0.094 0.000 2.171 369 N HA -0.077 4.663 4.740 -0.000 0.000 0.184 369 N C 1.675 177.183 175.510 -0.003 0.000 1.021 369 N CA 1.066 54.165 53.050 0.083 0.000 0.854 369 N CB -0.187 38.359 38.487 0.099 0.000 0.994 369 N HN 0.379 nan 8.380 nan 0.000 0.426 370 L N 1.148 122.367 121.223 -0.006 0.000 2.217 370 L HA 0.081 4.421 4.340 -0.000 0.000 0.211 370 L C 1.914 178.751 176.870 -0.055 0.000 1.107 370 L CA 1.001 55.824 54.840 -0.028 0.000 0.783 370 L CB -0.405 41.645 42.059 -0.015 0.000 0.919 370 L HN 0.062 nan 8.230 nan 0.000 0.442 371 L N -1.091 120.098 121.223 -0.057 0.000 2.044 371 L HA -0.185 4.155 4.340 -0.000 0.000 0.205 371 L C 2.434 179.217 176.870 -0.144 0.000 1.075 371 L CA 1.385 56.180 54.840 -0.075 0.000 0.747 371 L CB -0.411 41.621 42.059 -0.045 0.000 0.903 371 L HN 0.205 nan 8.230 nan 0.000 0.435 372 I N -0.144 120.303 120.570 -0.204 0.000 2.286 372 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 372 I C 2.726 178.665 176.117 -0.296 0.000 1.115 372 I CA 1.066 62.127 61.300 -0.398 0.000 1.392 372 I CB -0.461 37.245 38.000 -0.492 0.000 1.065 372 I HN 0.199 nan 8.210 nan 0.000 0.418 373 A N -0.345 122.373 122.820 -0.171 0.000 1.969 373 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 373 A C 2.362 179.877 177.584 -0.114 0.000 1.169 373 A CA 1.557 53.523 52.037 -0.118 0.000 0.635 373 A CB -0.962 17.994 19.000 -0.074 0.000 0.810 373 A HN 0.539 nan 8.150 nan 0.000 0.445 374 C N -1.336 117.892 119.300 -0.121 0.000 2.485 374 C HA 0.028 4.488 4.460 -0.000 0.000 0.278 374 C C 2.325 177.240 174.990 -0.125 0.000 1.356 374 C CA 0.850 59.794 59.018 -0.124 0.000 1.747 374 C CB -0.863 26.799 27.740 -0.130 0.000 2.001 374 C HN 0.708 nan 8.230 nan 0.000 0.501 375 D N 0.857 121.184 120.400 -0.120 0.000 2.144 375 D HA -0.112 4.528 4.640 -0.000 0.000 0.200 375 D C 2.207 178.436 176.300 -0.117 0.000 0.978 375 D CA 1.233 55.197 54.000 -0.060 0.000 0.833 375 D CB -0.025 40.775 40.800 -0.001 0.000 0.961 375 D HN 0.395 nan 8.370 nan 0.000 0.470 376 K N -0.135 120.187 120.400 -0.129 0.000 2.097 376 K HA -0.050 4.270 4.320 -0.000 0.000 0.205 376 K C 2.086 178.593 176.600 -0.155 0.000 1.050 376 K CA 0.721 56.932 56.287 -0.127 0.000 0.938 376 K CB 0.177 32.629 32.500 -0.080 0.000 0.718 376 K HN 0.022 nan 8.250 nan 0.000 0.442 377 K N 0.928 121.252 120.400 -0.127 0.000 2.057 377 K HA -0.083 4.237 4.320 -0.000 0.000 0.206 377 K C 2.164 178.689 176.600 -0.124 0.000 1.050 377 K CA 1.035 57.257 56.287 -0.108 0.000 0.935 377 K CB -0.273 32.175 32.500 -0.087 0.000 0.715 377 K HN 0.166 nan 8.250 nan 0.000 0.439 378 L N 0.950 122.093 121.223 -0.133 0.000 2.046 378 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 378 L C 2.645 179.378 176.870 -0.227 0.000 1.077 378 L CA 1.323 56.104 54.840 -0.099 0.000 0.747 378 L CB -0.455 41.600 42.059 -0.008 0.000 0.896 378 L HN 0.312 nan 8.230 nan 0.000 0.432 379 E N 0.452 120.310 120.200 -0.569 0.000 2.160 379 E HA -0.241 4.109 4.350 -0.000 0.000 0.195 379 E C 2.055 178.420 176.600 -0.392 0.000 0.991 379 E CA 1.149 56.953 56.400 -0.993 0.000 0.810 379 E CB 0.027 28.969 29.700 -1.262 0.000 0.742 379 E HN 0.471 nan 8.360 nan 0.000 0.466 380 A N 0.023 122.699 122.820 -0.241 0.000 2.168 380 A HA 0.147 4.467 4.320 -0.000 0.000 0.215 380 A C 1.669 179.209 177.584 -0.074 0.000 1.152 380 A CA 1.019 52.981 52.037 -0.125 0.000 0.716 380 A CB -0.462 18.482 19.000 -0.094 0.000 0.794 380 A HN 0.483 nan 8.150 nan 0.000 0.465 381 G N -1.304 107.455 108.800 -0.068 0.000 2.171 381 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.238 381 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.238 381 G C -0.130 174.762 174.900 -0.014 0.000 1.039 381 G CA 0.339 45.428 45.100 -0.018 0.000 0.759 381 G HN 0.627 nan 8.290 nan 0.000 0.501 382 Q N -0.172 119.610 119.800 -0.030 0.000 2.351 382 Q HA 0.671 5.011 4.340 -0.000 0.000 0.273 382 Q C 0.494 176.484 176.000 -0.018 0.000 1.077 382 Q CA -0.215 55.574 55.803 -0.023 0.000 0.843 382 Q CB 1.688 30.405 28.738 -0.036 0.000 1.367 382 Q HN 0.581 nan 8.270 nan 0.000 0.449 383 S N 0.405 116.099 115.700 -0.010 0.000 2.584 383 S HA 0.441 4.911 4.470 -0.000 0.000 0.273 383 S C 0.518 175.101 174.600 -0.029 0.000 1.311 383 S CA -0.603 57.596 58.200 -0.001 0.000 1.034 383 S CB 0.345 63.553 63.200 0.013 0.000 0.939 383 S HN 0.685 nan 8.310 nan 0.000 0.513 384 I N -2.659 117.883 120.570 -0.046 0.000 3.966 384 I HA 0.413 4.583 4.170 -0.000 0.000 0.324 384 I C 0.743 176.822 176.117 -0.064 0.000 1.517 384 I CA -0.307 60.939 61.300 -0.090 0.000 1.117 384 I CB 0.159 38.047 38.000 -0.185 0.000 1.190 384 I HN 0.551 nan 8.210 nan 0.000 0.466 385 D N 3.026 123.422 120.400 -0.006 0.000 2.149 385 D HA -0.259 4.381 4.640 -0.000 0.000 0.198 385 D C 1.862 178.165 176.300 0.006 0.000 0.990 385 D CA 2.234 56.249 54.000 0.025 0.000 0.839 385 D CB 0.175 41.000 40.800 0.042 0.000 0.948 385 D HN 0.658 nan 8.370 nan 0.000 0.460 386 D N -0.550 119.848 120.400 -0.005 0.000 2.317 386 D HA -0.129 4.511 4.640 -0.000 0.000 0.211 386 D C 1.632 177.923 176.300 -0.014 0.000 0.966 386 D CA 0.409 54.406 54.000 -0.006 0.000 0.876 386 D CB -0.372 40.425 40.800 -0.006 0.000 0.927 386 D HN 0.385 nan 8.370 nan 0.000 0.519 387 M N 0.185 119.769 119.600 -0.027 0.000 2.561 387 M HA 0.247 4.727 4.480 -0.000 0.000 0.238 387 M C 0.452 176.733 176.300 -0.033 0.000 1.131 387 M CA 0.075 55.355 55.300 -0.033 0.000 1.046 387 M CB 0.419 32.989 32.600 -0.049 0.000 1.532 387 M HN -0.163 nan 8.290 nan 0.000 0.497 388 I N 2.167 122.722 120.570 -0.025 0.000 2.342 388 I HA 0.252 4.422 4.170 -0.000 0.000 0.291 388 I C -1.964 174.148 176.117 -0.007 0.000 1.010 388 I CA -2.013 59.277 61.300 -0.016 0.000 1.308 388 I CB 0.919 38.917 38.000 -0.002 0.000 1.400 388 I HN -0.168 nan 8.210 nan 0.000 0.488 389 P HA -0.048 nan 4.420 nan 0.000 0.263 389 P C -0.579 176.720 177.300 -0.002 0.000 1.168 389 P CA 0.116 63.213 63.100 -0.005 0.000 0.759 389 P CB 0.412 32.107 31.700 -0.007 0.000 0.782 390 K N 0.000 120.401 120.400 0.001 0.000 2.780 390 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 390 K CA 0.000 56.288 56.287 0.002 0.000 0.838 390 K CB 0.000 32.502 32.500 0.003 0.000 1.064 390 K HN 0.000 nan 8.250 nan 0.000 0.543