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 3fkr_1_A DATA FIRST_RESID 17 DATA SEQUENCE TPRHRGIFPV VPTTFADTGD LDLASQKRAV DFMIDAGSDG LCILANFSEQ DATA SEQUENCE FAITDDERDV LTRTILEHVA GRVPVIVTTS HYSTQVCAAR SLRAQQLGAA DATA SEQUENCE MVMAMPPYHG ATFRVPEAQI FEFYARVSDA IAIPIMVQDA PASGTALSAP DATA SEQUENCE FLARMAREIE QVAYFXIETP GAANKLRELI RLGGDAIEGP WDGEEAITLL DATA SEQUENCE ADLHAGATGA MTGGGFPDGI RPILEAWREG RHDDAYARYQ AWLPLINHEN DATA SEQUENCE RQSGILTAKA LMREGGVIAS ERPRHPMPEL HPDTRAELLA IARRLDPLVL DATA SEQUENCE RWAH 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 17 T HA 0.000 nan 4.350 nan 0.000 0.228 17 T C 0.000 174.706 174.700 0.009 0.000 1.109 17 T CA 0.000 62.108 62.100 0.014 0.000 1.349 17 T CB 0.000 68.876 68.868 0.014 0.000 0.612 18 P HA 0.434 nan 4.420 nan 0.000 0.274 18 P C 0.424 177.744 177.300 0.033 0.000 1.237 18 P CA -0.574 62.548 63.100 0.036 0.000 0.793 18 P CB 1.419 33.172 31.700 0.088 0.000 0.977 19 R N -0.378 120.119 120.500 -0.005 0.000 2.193 19 R HA 0.030 4.370 4.340 -0.000 0.000 0.213 19 R C 0.452 176.478 176.300 -0.456 0.000 1.055 19 R CA 0.847 56.787 56.100 -0.268 0.000 0.995 19 R CB -0.080 29.987 30.300 -0.388 0.000 0.893 19 R HN 0.594 nan 8.270 nan 0.000 0.459 20 H N -0.221 119.054 119.070 0.343 0.000 2.894 20 H HA 0.406 4.962 4.556 -0.000 0.000 0.367 20 H C -0.642 175.018 175.328 0.552 0.000 1.144 20 H CA -0.800 55.487 56.048 0.398 0.000 1.180 20 H CB 1.847 31.745 29.762 0.227 0.000 1.758 20 H HN 0.092 nan 8.280 nan 0.000 0.541 21 R N 0.273 121.111 120.500 0.564 0.000 2.728 21 R HA 0.623 4.963 4.340 -0.000 0.000 0.274 21 R C -0.274 176.118 176.300 0.153 0.000 1.030 21 R CA -0.403 55.885 56.100 0.313 0.000 0.876 21 R CB 1.308 31.749 30.300 0.235 0.000 1.259 21 R HN 0.853 nan 8.270 nan 0.000 0.468 22 G N 0.895 109.631 108.800 -0.107 0.000 2.466 22 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.218 22 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.218 22 G C -1.191 173.595 174.900 -0.189 0.000 1.237 22 G CA -0.247 44.793 45.100 -0.101 0.000 0.954 22 G HN 0.789 nan 8.290 nan 0.000 0.580 23 I N 0.363 120.856 120.570 -0.128 0.000 2.321 23 I HA 0.666 4.836 4.170 -0.000 0.000 0.291 23 I C -0.841 175.172 176.117 -0.174 0.000 0.998 23 I CA -0.906 60.298 61.300 -0.159 0.000 1.227 23 I CB 0.553 38.439 38.000 -0.190 0.000 1.368 23 I HN 0.349 nan 8.210 nan 0.000 0.466 24 F N 8.959 128.743 119.950 -0.276 0.000 2.449 24 F HA 0.454 4.981 4.527 -0.000 0.000 0.344 24 F C -2.243 173.491 175.800 -0.109 0.000 1.180 24 F CA -2.333 55.577 58.000 -0.150 0.000 1.209 24 F CB 0.530 39.512 39.000 -0.030 0.000 1.440 24 F HN 0.287 nan 8.300 nan 0.000 0.526 25 P HA 0.151 nan 4.420 nan 0.000 0.274 25 P C -0.362 176.924 177.300 -0.023 0.000 1.246 25 P CA -0.226 62.824 63.100 -0.082 0.000 0.795 25 P CB 1.221 32.829 31.700 -0.153 0.000 1.006 26 V N 2.277 122.187 119.914 -0.006 0.000 2.461 26 V HA 0.074 4.194 4.120 -0.000 0.000 0.275 26 V C 0.452 176.569 176.094 0.038 0.000 1.047 26 V CA -0.486 61.842 62.300 0.047 0.000 0.955 26 V CB 1.112 33.001 31.823 0.110 0.000 0.988 26 V HN 0.218 nan 8.190 nan 0.000 0.471 27 V N 8.926 128.851 119.914 0.018 0.000 2.508 27 V HA 0.183 4.303 4.120 -0.000 0.000 0.281 27 V C -1.788 174.303 176.094 -0.004 0.000 1.041 27 V CA -1.253 61.044 62.300 -0.004 0.000 1.016 27 V CB 0.856 32.664 31.823 -0.025 0.000 0.984 27 V HN 0.764 nan 8.190 nan 0.000 0.478 28 P HA 0.189 nan 4.420 nan 0.000 0.274 28 P C -0.216 176.999 177.300 -0.142 0.000 1.231 28 P CA -0.241 62.824 63.100 -0.059 0.000 0.790 28 P CB 0.387 32.055 31.700 -0.053 0.000 0.951 29 T N 1.619 116.032 114.554 -0.236 0.000 2.749 29 T HA 0.334 4.684 4.350 -0.000 0.000 0.295 29 T C 0.211 174.536 174.700 -0.624 0.000 0.936 29 T CA -0.123 61.721 62.100 -0.427 0.000 1.060 29 T CB -0.321 68.228 68.868 -0.531 0.000 0.904 29 T HN 0.422 nan 8.240 nan 0.000 0.500 30 T N 2.006 116.253 114.554 -0.513 0.000 2.744 30 T HA 0.646 4.996 4.350 -0.000 0.000 0.291 30 T C -0.347 174.063 174.700 -0.482 0.000 0.957 30 T CA -0.743 61.112 62.100 -0.409 0.000 1.002 30 T CB -0.004 68.749 68.868 -0.191 0.000 0.919 30 T HN 0.333 nan 8.240 nan 0.000 0.468 31 F N 1.273 121.206 119.950 -0.027 0.000 2.483 31 F HA 0.676 5.203 4.527 -0.000 0.000 0.329 31 F C 1.060 176.852 175.800 -0.013 0.000 1.064 31 F CA -1.417 56.570 58.000 -0.021 0.000 0.986 31 F CB 1.115 40.103 39.000 -0.021 0.000 1.218 31 F HN 0.809 nan 8.300 nan 0.000 0.484 32 A N 0.812 123.756 122.820 0.205 0.000 2.366 32 A HA 0.072 4.392 4.320 -0.000 0.000 0.250 32 A C 1.144 178.792 177.584 0.108 0.000 1.099 32 A CA 0.009 52.115 52.037 0.116 0.000 0.794 32 A CB -0.079 18.966 19.000 0.075 0.000 1.056 32 A HN 0.929 nan 8.150 nan 0.000 0.499 33 D N -0.402 120.037 120.400 0.065 0.000 2.149 33 D HA -0.181 4.459 4.640 -0.000 0.000 0.194 33 D C 1.690 178.005 176.300 0.025 0.000 1.001 33 D CA 2.588 56.614 54.000 0.043 0.000 0.849 33 D CB 0.005 40.821 40.800 0.028 0.000 0.939 33 D HN 0.619 nan 8.370 nan 0.000 0.449 34 T N -4.313 110.253 114.554 0.019 0.000 3.122 34 T HA 0.460 4.810 4.350 -0.000 0.000 0.250 34 T C 1.506 176.190 174.700 -0.027 0.000 1.067 34 T CA 0.357 62.454 62.100 -0.005 0.000 0.966 34 T CB 0.699 69.564 68.868 -0.004 0.000 1.002 34 T HN 0.259 nan 8.240 nan 0.000 0.542 35 G N 1.568 110.355 108.800 -0.022 0.000 2.218 35 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.216 35 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.216 35 G C -0.369 174.513 174.900 -0.030 0.000 0.994 35 G CA -0.272 44.750 45.100 -0.130 0.000 0.637 35 G HN 0.643 nan 8.290 nan 0.000 0.505 36 D N 1.076 121.513 120.400 0.060 0.000 2.400 36 D HA 0.448 5.088 4.640 -0.000 0.000 0.238 36 D C 1.239 177.678 176.300 0.231 0.000 1.157 36 D CA -0.225 53.839 54.000 0.106 0.000 0.889 36 D CB 0.660 41.498 40.800 0.062 0.000 1.199 36 D HN 0.349 nan 8.370 nan 0.000 0.436 37 L N 1.167 122.511 121.223 0.202 0.000 2.490 37 L HA 0.055 4.395 4.340 -0.000 0.000 0.274 37 L C 0.432 177.342 176.870 0.066 0.000 1.201 37 L CA 0.352 55.279 54.840 0.145 0.000 0.869 37 L CB 0.205 42.303 42.059 0.066 0.000 1.123 37 L HN 0.485 nan 8.230 nan 0.000 0.484 38 D N 3.629 124.035 120.400 0.010 0.000 2.462 38 D HA 0.219 4.859 4.640 -0.000 0.000 0.249 38 D C 0.673 176.947 176.300 -0.042 0.000 1.117 38 D CA -0.280 53.718 54.000 -0.003 0.000 0.900 38 D CB 0.919 41.721 40.800 0.004 0.000 1.039 38 D HN 0.385 nan 8.370 nan 0.000 0.516 39 L N 2.130 123.332 121.223 -0.035 0.000 2.240 39 L HA 0.031 4.371 4.340 -0.000 0.000 0.211 39 L C 2.359 179.185 176.870 -0.074 0.000 1.106 39 L CA 0.768 55.573 54.840 -0.058 0.000 0.793 39 L CB -0.150 41.884 42.059 -0.041 0.000 0.927 39 L HN 0.384 nan 8.230 nan 0.000 0.446 40 A N -0.307 122.484 122.820 -0.048 0.000 1.877 40 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 40 A C 2.504 180.061 177.584 -0.046 0.000 1.186 40 A CA 2.083 54.093 52.037 -0.045 0.000 0.620 40 A CB -0.560 18.432 19.000 -0.012 0.000 0.822 40 A HN 0.341 nan 8.150 nan 0.000 0.443 41 S N -0.771 114.908 115.700 -0.034 0.000 2.402 41 S HA -0.162 4.308 4.470 -0.000 0.000 0.229 41 S C 2.096 176.656 174.600 -0.066 0.000 1.021 41 S CA 1.484 59.665 58.200 -0.031 0.000 0.974 41 S CB -0.255 62.927 63.200 -0.029 0.000 0.800 41 S HN 0.645 nan 8.310 nan 0.000 0.484 42 Q N 1.815 121.558 119.800 -0.095 0.000 2.096 42 Q HA -0.073 4.267 4.340 -0.000 0.000 0.204 42 Q C 1.808 177.733 176.000 -0.124 0.000 0.982 42 Q CA 1.694 57.428 55.803 -0.115 0.000 0.850 42 Q CB -0.220 28.445 28.738 -0.121 0.000 0.901 42 Q HN 0.443 nan 8.270 nan 0.000 0.422 43 K N -0.570 119.714 120.400 -0.194 0.000 2.097 43 K HA -0.093 4.227 4.320 -0.000 0.000 0.206 43 K C 2.240 178.749 176.600 -0.151 0.000 1.049 43 K CA 1.296 57.361 56.287 -0.371 0.000 0.933 43 K CB -0.089 31.956 32.500 -0.759 0.000 0.717 43 K HN 0.132 nan 8.250 nan 0.000 0.442 44 R N 0.349 120.824 120.500 -0.042 0.000 2.092 44 R HA -0.058 4.282 4.340 -0.000 0.000 0.231 44 R C 2.362 178.642 176.300 -0.033 0.000 1.119 44 R CA 1.126 57.287 56.100 0.102 0.000 0.970 44 R CB -0.277 30.125 30.300 0.170 0.000 0.864 44 R HN 0.181 nan 8.270 nan 0.000 0.440 45 A N 0.587 123.371 122.820 -0.060 0.000 1.902 45 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 45 A C 2.312 179.877 177.584 -0.032 0.000 1.181 45 A CA 1.350 53.352 52.037 -0.059 0.000 0.623 45 A CB -0.554 18.412 19.000 -0.056 0.000 0.818 45 A HN 0.118 nan 8.150 nan 0.000 0.443 46 V N 0.610 120.508 119.914 -0.028 0.000 2.343 46 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 46 V C 2.185 178.265 176.094 -0.022 0.000 1.051 46 V CA 2.390 64.683 62.300 -0.013 0.000 1.036 46 V CB -0.751 31.108 31.823 0.061 0.000 0.654 46 V HN 0.509 nan 8.190 nan 0.000 0.451 47 D N -0.627 119.809 120.400 0.060 0.000 2.144 47 D HA -0.167 4.473 4.640 -0.000 0.000 0.200 47 D C 1.878 178.149 176.300 -0.049 0.000 0.978 47 D CA 1.331 55.395 54.000 0.106 0.000 0.833 47 D CB -0.295 40.705 40.800 0.334 0.000 0.961 47 D HN 0.523 nan 8.370 nan 0.000 0.470 48 F N 1.098 120.743 119.950 -0.510 0.000 2.102 48 F HA -0.173 4.354 4.527 0.000 0.000 0.298 48 F C 2.245 177.779 175.800 -0.442 0.000 1.105 48 F CA 1.303 58.707 58.000 -0.994 0.000 1.239 48 F CB -0.234 37.873 39.000 -1.488 0.000 0.991 48 F HN -0.180 nan 8.300 nan 0.000 0.474 49 M N 0.222 119.327 119.600 -0.826 0.000 2.213 49 M HA -0.152 4.328 4.480 -0.000 0.000 0.263 49 M C 2.138 178.110 176.300 -0.547 0.000 1.062 49 M CA 1.613 56.434 55.300 -0.798 0.000 1.105 49 M CB -0.524 31.857 32.600 -0.366 0.000 1.385 49 M HN 0.261 nan 8.290 nan 0.000 0.417 50 I N 0.126 120.482 120.570 -0.358 0.000 2.286 50 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 50 I C 1.728 177.710 176.117 -0.225 0.000 1.104 50 I CA 1.019 62.171 61.300 -0.246 0.000 1.397 50 I CB -0.465 37.449 38.000 -0.144 0.000 1.072 50 I HN 0.207 nan 8.210 nan 0.000 0.417 51 D N 1.201 121.481 120.400 -0.199 0.000 2.218 51 D HA -0.125 4.515 4.640 -0.000 0.000 0.204 51 D C 2.113 178.317 176.300 -0.160 0.000 0.976 51 D CA 1.253 55.206 54.000 -0.078 0.000 0.853 51 D CB -0.095 40.812 40.800 0.178 0.000 0.939 51 D HN 0.330 nan 8.370 nan 0.000 0.481 52 A N -0.304 122.264 122.820 -0.420 0.000 2.209 52 A HA 0.307 4.627 4.320 -0.000 0.000 0.212 52 A C 1.786 179.224 177.584 -0.243 0.000 1.158 52 A CA 1.332 53.146 52.037 -0.370 0.000 0.742 52 A CB -0.222 18.376 19.000 -0.671 0.000 0.790 52 A HN 0.283 nan 8.150 nan 0.000 0.472 53 G N -1.360 107.303 108.800 -0.228 0.000 2.148 53 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.203 53 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.203 53 G C 0.243 175.015 174.900 -0.213 0.000 0.993 53 G CA 0.144 45.140 45.100 -0.174 0.000 0.661 53 G HN 0.639 nan 8.290 nan 0.000 0.518 54 S N 0.817 116.352 115.700 -0.275 0.000 2.573 54 S HA 0.154 4.624 4.470 -0.000 0.000 0.297 54 S C 1.162 175.553 174.600 -0.348 0.000 1.280 54 S CA 0.339 58.346 58.200 -0.322 0.000 1.061 54 S CB 0.825 63.816 63.200 -0.349 0.000 0.812 54 S HN 0.343 nan 8.310 nan 0.000 0.500 55 D N 1.533 121.674 120.400 -0.432 0.000 2.234 55 D HA 0.108 4.748 4.640 -0.000 0.000 0.205 55 D C 1.004 176.820 176.300 -0.807 0.000 0.962 55 D CA 0.748 54.475 54.000 -0.456 0.000 0.855 55 D CB 0.264 40.899 40.800 -0.275 0.000 0.951 55 D HN 0.666 nan 8.370 nan 0.000 0.500 56 G N -0.408 107.622 108.800 -1.283 0.000 2.600 56 G HA2 0.571 4.531 3.960 -0.000 0.000 0.293 56 G HA3 0.571 4.531 3.960 -0.000 0.000 0.293 56 G C -1.892 172.567 174.900 -0.735 0.000 1.408 56 G CA -0.694 43.637 45.100 -1.283 0.000 0.782 56 G HN 0.022 nan 8.290 nan 0.000 0.482 57 L N -0.469 120.587 121.223 -0.280 0.000 2.422 57 L HA 0.600 4.940 4.340 -0.000 0.000 0.264 57 L C -0.704 176.206 176.870 0.067 0.000 0.984 57 L CA -0.902 53.878 54.840 -0.100 0.000 0.819 57 L CB 2.418 44.415 42.059 -0.102 0.000 1.330 57 L HN 0.682 nan 8.230 nan 0.000 0.410 58 C N 5.000 124.352 119.300 0.087 0.000 2.322 58 C HA 0.775 5.235 4.460 -0.000 0.000 0.324 58 C C 0.018 175.041 174.990 0.054 0.000 1.284 58 C CA -0.592 58.486 59.018 0.100 0.000 1.606 58 C CB -0.224 27.599 27.740 0.139 0.000 2.251 58 C HN 0.680 nan 8.230 nan 0.000 0.502 59 I N 3.969 124.564 120.570 0.042 0.000 2.693 59 I HA 0.622 4.792 4.170 -0.000 0.000 0.303 59 I C 0.026 176.165 176.117 0.037 0.000 1.025 59 I CA -1.051 60.265 61.300 0.026 0.000 1.086 59 I CB 1.473 39.477 38.000 0.007 0.000 1.268 59 I HN 0.774 nan 8.210 nan 0.000 0.440 60 L N 1.776 123.014 121.223 0.026 0.000 3.717 60 L HA -0.239 4.101 4.340 -0.000 0.000 0.411 60 L C 0.546 177.456 176.870 0.066 0.000 1.233 60 L CA 0.534 55.392 54.840 0.030 0.000 0.917 60 L CB -1.873 40.203 42.059 0.029 0.000 1.902 60 L HN 0.962 nan 8.230 nan 0.000 0.894 61 A N -0.206 122.666 122.820 0.087 0.000 2.336 61 A HA 0.504 4.824 4.320 -0.000 0.000 0.291 61 A C 1.055 178.745 177.584 0.177 0.000 1.266 61 A CA 0.446 52.565 52.037 0.138 0.000 0.891 61 A CB 0.281 19.368 19.000 0.146 0.000 1.366 61 A HN 0.370 nan 8.150 nan 0.000 0.507 62 N N -1.420 117.437 118.700 0.261 0.000 2.300 62 N HA -0.009 4.731 4.740 -0.000 0.000 0.179 62 N C 0.914 176.641 175.510 0.362 0.000 1.016 62 N CA 0.861 54.130 53.050 0.365 0.000 0.876 62 N CB -0.215 38.525 38.487 0.421 0.000 0.979 62 N HN 0.623 nan 8.380 nan 0.000 0.432 63 F N 0.601 120.628 119.950 0.128 0.000 2.722 63 F HA -0.007 4.520 4.527 -0.000 0.000 0.298 63 F C 1.355 177.170 175.800 0.024 0.000 1.175 63 F CA 0.383 58.434 58.000 0.084 0.000 1.462 63 F CB 0.272 39.307 39.000 0.059 0.000 1.111 63 F HN -0.001 nan 8.300 nan 0.000 0.592 64 S N -0.521 115.232 115.700 0.089 0.000 2.597 64 S HA 0.028 4.498 4.470 -0.000 0.000 0.224 64 S C 0.446 174.959 174.600 -0.145 0.000 0.955 64 S CA -0.146 58.038 58.200 -0.027 0.000 0.933 64 S CB -0.237 62.957 63.200 -0.009 0.000 0.788 64 S HN 0.386 nan 8.310 nan 0.000 0.488 65 E N 0.556 120.609 120.200 -0.244 0.000 2.586 65 E HA -0.325 4.025 4.350 -0.000 0.000 0.259 65 E C 1.100 177.296 176.600 -0.674 0.000 1.107 65 E CA 0.629 56.643 56.400 -0.643 0.000 0.754 65 E CB -1.313 28.212 29.700 -0.293 0.000 1.335 65 E HN 0.722 nan 8.360 nan 0.000 0.411 66 Q N 0.135 119.715 119.800 -0.367 0.000 2.234 66 Q HA -0.212 4.128 4.340 -0.000 0.000 0.206 66 Q C 1.661 177.603 176.000 -0.097 0.000 0.980 66 Q CA 2.321 58.044 55.803 -0.134 0.000 0.869 66 Q CB -0.882 27.869 28.738 0.023 0.000 0.912 66 Q HN 0.666 nan 8.270 nan 0.000 0.436 67 F N -0.960 119.046 119.950 0.094 0.000 2.451 67 F HA 0.343 4.870 4.527 -0.000 0.000 0.299 67 F C 1.809 177.651 175.800 0.070 0.000 1.101 67 F CA 0.383 58.430 58.000 0.078 0.000 1.436 67 F CB -0.513 38.528 39.000 0.067 0.000 1.074 67 F HN 0.172 nan 8.300 nan 0.000 0.553 68 A N 1.213 123.936 122.820 -0.162 0.000 2.275 68 A HA 0.380 4.700 4.320 -0.000 0.000 0.212 68 A C 0.865 178.458 177.584 0.016 0.000 1.201 68 A CA -0.085 51.941 52.037 -0.017 0.000 0.843 68 A CB -0.904 18.035 19.000 -0.101 0.000 0.873 68 A HN 0.546 nan 8.150 nan 0.000 0.492 69 I N -3.450 117.144 120.570 0.041 0.000 3.100 69 I HA 0.707 4.877 4.170 -0.000 0.000 0.312 69 I C 0.225 176.382 176.117 0.066 0.000 1.063 69 I CA -0.673 60.672 61.300 0.074 0.000 1.031 69 I CB 1.789 39.850 38.000 0.103 0.000 1.243 69 I HN 0.044 nan 8.210 nan 0.000 0.483 70 T N -1.684 112.907 114.554 0.061 0.000 2.897 70 T HA 0.284 4.634 4.350 -0.000 0.000 0.278 70 T C 0.484 175.216 174.700 0.053 0.000 0.981 70 T CA -0.362 61.770 62.100 0.054 0.000 0.973 70 T CB 1.297 70.190 68.868 0.042 0.000 1.092 70 T HN 0.632 nan 8.240 nan 0.000 0.543 71 D N 0.328 120.758 120.400 0.050 0.000 2.144 71 D HA -0.073 4.567 4.640 -0.000 0.000 0.199 71 D C 1.605 177.923 176.300 0.029 0.000 0.984 71 D CA 1.120 55.145 54.000 0.042 0.000 0.834 71 D CB -0.273 40.546 40.800 0.031 0.000 0.955 71 D HN 0.574 nan 8.370 nan 0.000 0.465 72 D N 0.666 121.081 120.400 0.025 0.000 2.117 72 D HA -0.106 4.534 4.640 -0.000 0.000 0.197 72 D C 1.947 178.261 176.300 0.023 0.000 0.987 72 D CA 0.747 54.758 54.000 0.019 0.000 0.829 72 D CB -0.143 40.668 40.800 0.018 0.000 0.961 72 D HN 0.372 nan 8.370 nan 0.000 0.460 73 E N 0.297 120.517 120.200 0.033 0.000 2.110 73 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 73 E C 2.160 178.776 176.600 0.027 0.000 0.988 73 E CA 0.416 56.839 56.400 0.038 0.000 0.804 73 E CB 0.053 29.790 29.700 0.062 0.000 0.745 73 E HN 0.129 nan 8.360 nan 0.000 0.458 74 R N 0.974 121.492 120.500 0.030 0.000 2.083 74 R HA -0.214 4.126 4.340 -0.000 0.000 0.237 74 R C 1.847 178.156 176.300 0.016 0.000 1.137 74 R CA 2.069 58.184 56.100 0.025 0.000 0.951 74 R CB -0.176 30.147 30.300 0.038 0.000 0.851 74 R HN 0.121 nan 8.270 nan 0.000 0.434 75 D N -0.746 119.662 120.400 0.014 0.000 2.117 75 D HA -0.111 4.529 4.640 -0.000 0.000 0.198 75 D C 1.910 178.214 176.300 0.006 0.000 0.982 75 D CA 1.042 55.047 54.000 0.008 0.000 0.828 75 D CB 0.178 40.981 40.800 0.005 0.000 0.967 75 D HN 0.020 nan 8.370 nan 0.000 0.464 76 V N 0.466 120.384 119.914 0.007 0.000 2.287 76 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 76 V C 2.560 178.653 176.094 -0.001 0.000 1.053 76 V CA 1.482 63.785 62.300 0.005 0.000 1.027 76 V CB -0.497 31.330 31.823 0.008 0.000 0.646 76 V HN 0.334 nan 8.190 nan 0.000 0.447 77 L N -0.700 120.520 121.223 -0.005 0.000 2.093 77 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 77 L C 2.588 179.453 176.870 -0.009 0.000 1.085 77 L CA 1.772 56.601 54.840 -0.017 0.000 0.755 77 L CB -0.913 41.128 42.059 -0.031 0.000 0.904 77 L HN 0.355 nan 8.230 nan 0.000 0.435 78 T N -0.855 113.698 114.554 -0.002 0.000 2.708 78 T HA -0.230 4.120 4.350 -0.000 0.000 0.266 78 T C 2.047 176.750 174.700 0.004 0.000 1.037 78 T CA 1.320 63.421 62.100 0.001 0.000 1.146 78 T CB -0.172 68.698 68.868 0.003 0.000 0.865 78 T HN 0.247 nan 8.240 nan 0.000 0.435 79 R N 0.340 120.843 120.500 0.004 0.000 2.062 79 R HA -0.106 4.234 4.340 -0.000 0.000 0.231 79 R C 2.583 178.892 176.300 0.015 0.000 1.136 79 R CA 1.765 57.870 56.100 0.008 0.000 0.948 79 R CB -0.552 29.752 30.300 0.006 0.000 0.845 79 R HN 0.310 nan 8.270 nan 0.000 0.430 80 T N 1.250 115.811 114.554 0.012 0.000 2.684 80 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 80 T C 1.850 176.573 174.700 0.038 0.000 1.036 80 T CA 1.644 63.755 62.100 0.018 0.000 1.148 80 T CB -0.153 68.712 68.868 -0.006 0.000 0.863 80 T HN 0.207 nan 8.240 nan 0.000 0.436 81 I N 0.432 121.016 120.570 0.022 0.000 2.252 81 I HA -0.085 4.085 4.170 -0.000 0.000 0.245 81 I C 2.293 178.441 176.117 0.051 0.000 1.102 81 I CA 1.026 62.349 61.300 0.038 0.000 1.385 81 I CB -0.378 37.625 38.000 0.006 0.000 1.064 81 I HN 0.170 nan 8.210 nan 0.000 0.414 82 L N 0.465 121.704 121.223 0.027 0.000 2.046 82 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 82 L C 2.657 179.541 176.870 0.023 0.000 1.077 82 L CA 1.507 56.357 54.840 0.017 0.000 0.747 82 L CB -0.499 41.564 42.059 0.007 0.000 0.896 82 L HN 0.308 nan 8.230 nan 0.000 0.432 83 E N -0.575 119.647 120.200 0.037 0.000 2.077 83 E HA -0.311 4.039 4.350 -0.000 0.000 0.193 83 E C 2.115 178.744 176.600 0.050 0.000 0.989 83 E CA 1.479 57.902 56.400 0.038 0.000 0.800 83 E CB -0.004 29.723 29.700 0.045 0.000 0.746 83 E HN 0.489 nan 8.360 nan 0.000 0.452 84 H N -0.460 118.606 119.070 -0.008 0.000 2.428 84 H HA -0.020 4.536 4.556 -0.000 0.000 0.296 84 H C 1.880 177.202 175.328 -0.010 0.000 1.062 84 H CA 1.443 57.488 56.048 -0.005 0.000 1.350 84 H CB 0.066 29.826 29.762 -0.003 0.000 1.403 84 H HN 0.023 nan 8.280 nan 0.000 0.533 85 V N 0.374 120.283 119.914 -0.008 0.000 2.490 85 V HA -0.155 3.965 4.120 -0.000 0.000 0.250 85 V C 1.674 177.714 176.094 -0.090 0.000 1.061 85 V CA 1.095 63.361 62.300 -0.057 0.000 1.064 85 V CB -1.205 30.602 31.823 -0.026 0.000 0.670 85 V HN 0.755 nan 8.190 nan 0.000 0.461 86 A N -0.713 122.065 122.820 -0.071 0.000 2.869 86 A HA -0.057 4.263 4.320 -0.000 0.000 0.280 86 A C 1.666 179.220 177.584 -0.050 0.000 1.458 86 A CA 1.080 53.076 52.037 -0.069 0.000 0.776 86 A CB -1.853 17.082 19.000 -0.108 0.000 1.028 86 A HN 1.979 nan 8.150 nan 0.000 0.547 87 G N -2.001 106.778 108.800 -0.036 0.000 2.168 87 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.263 87 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.263 87 G C 0.828 175.710 174.900 -0.029 0.000 0.977 87 G CA 1.412 46.498 45.100 -0.024 0.000 0.659 87 G HN 1.053 nan 8.290 nan 0.000 0.533 88 R N -0.567 119.904 120.500 -0.048 0.000 2.090 88 R HA 0.308 4.648 4.340 -0.000 0.000 0.228 88 R C 1.349 177.616 176.300 -0.055 0.000 1.110 88 R CA 1.717 57.786 56.100 -0.052 0.000 0.973 88 R CB 0.049 30.308 30.300 -0.069 0.000 0.869 88 R HN 0.932 nan 8.270 nan 0.000 0.440 89 V N -2.396 117.477 119.914 -0.068 0.000 3.114 89 V HA 0.515 4.635 4.120 -0.000 0.000 0.308 89 V C -2.759 173.295 176.094 -0.066 0.000 1.168 89 V CA -2.856 59.392 62.300 -0.087 0.000 1.015 89 V CB 2.305 34.027 31.823 -0.169 0.000 1.050 89 V HN -0.098 nan 8.190 nan 0.000 0.433 90 P HA 0.324 nan 4.420 nan 0.000 0.271 90 P C -0.767 176.518 177.300 -0.026 0.000 1.218 90 P CA 0.012 63.103 63.100 -0.015 0.000 0.780 90 P CB 1.410 33.111 31.700 0.001 0.000 0.901 91 V N 4.260 124.162 119.914 -0.020 0.000 2.495 91 V HA 0.357 4.477 4.120 -0.000 0.000 0.298 91 V C 0.522 176.613 176.094 -0.005 0.000 1.031 91 V CA -0.711 61.588 62.300 -0.002 0.000 0.871 91 V CB 1.664 33.479 31.823 -0.013 0.000 0.988 91 V HN 0.374 nan 8.190 nan 0.000 0.432 92 I N 4.700 125.291 120.570 0.034 0.000 2.321 92 I HA 0.396 4.566 4.170 -0.000 0.000 0.291 92 I C -0.442 175.677 176.117 0.004 0.000 0.998 92 I CA -0.588 60.704 61.300 -0.012 0.000 1.227 92 I CB 1.633 39.636 38.000 0.005 0.000 1.368 92 I HN 0.260 nan 8.210 nan 0.000 0.466 93 V N 5.255 125.161 119.914 -0.013 0.000 2.394 93 V HA 0.249 4.369 4.120 -0.000 0.000 0.282 93 V C 0.361 176.467 176.094 0.019 0.000 1.031 93 V CA -0.498 61.806 62.300 0.006 0.000 0.881 93 V CB 1.662 33.485 31.823 0.000 0.000 0.982 93 V HN 0.701 nan 8.190 nan 0.000 0.451 94 T N 3.373 117.951 114.554 0.041 0.000 2.794 94 T HA 0.283 4.633 4.350 -0.000 0.000 0.296 94 T C 0.910 175.655 174.700 0.074 0.000 0.949 94 T CA 0.111 62.251 62.100 0.066 0.000 1.101 94 T CB 0.743 69.663 68.868 0.087 0.000 0.905 94 T HN 0.969 nan 8.240 nan 0.000 0.516 95 T N -0.993 113.614 114.554 0.089 0.000 3.145 95 T HA 0.205 4.555 4.350 -0.000 0.000 0.281 95 T C 0.625 175.414 174.700 0.148 0.000 1.003 95 T CA -0.584 61.572 62.100 0.092 0.000 0.901 95 T CB 0.070 68.971 68.868 0.056 0.000 1.112 95 T HN 0.367 nan 8.240 nan 0.000 0.535 96 S N 2.583 118.385 115.700 0.170 0.000 2.593 96 S HA 0.255 4.725 4.470 -0.000 0.000 0.300 96 S C -0.333 174.409 174.600 0.237 0.000 1.267 96 S CA 0.094 58.415 58.200 0.202 0.000 1.065 96 S CB -0.085 63.221 63.200 0.175 0.000 0.807 96 S HN 0.798 nan 8.310 nan 0.000 0.499 97 H N 0.272 119.429 119.070 0.145 0.000 3.079 97 H HA 0.251 4.807 4.556 0.000 0.000 0.356 97 H C 0.021 175.430 175.328 0.136 0.000 1.221 97 H CA -0.746 55.374 56.048 0.120 0.000 1.185 97 H CB 0.388 30.219 29.762 0.115 0.000 1.882 97 H HN 0.454 nan 8.280 nan 0.000 0.543 98 Y N 2.608 122.719 120.300 -0.316 0.000 2.128 98 Y HA -0.101 4.449 4.550 -0.000 0.000 0.284 98 Y C 1.200 177.205 175.900 0.174 0.000 1.154 98 Y CA 2.049 60.071 58.100 -0.130 0.000 1.149 98 Y CB -0.176 38.140 38.460 -0.240 0.000 0.976 98 Y HN 0.468 nan 8.280 nan 0.000 0.505 99 S N 0.382 116.474 115.700 0.653 0.000 2.515 99 S HA -0.030 4.440 4.470 -0.000 0.000 0.285 99 S C 1.194 175.984 174.600 0.317 0.000 1.265 99 S CA 0.345 58.819 58.200 0.456 0.000 1.079 99 S CB 0.661 64.072 63.200 0.353 0.000 0.877 99 S HN 0.545 nan 8.310 nan 0.000 0.493 100 T N 5.477 120.150 114.554 0.198 0.000 2.665 100 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 100 T C 1.798 176.403 174.700 -0.160 0.000 1.035 100 T CA 1.928 63.949 62.100 -0.133 0.000 1.151 100 T CB -0.304 68.486 68.868 -0.131 0.000 0.862 100 T HN 0.767 nan 8.240 nan 0.000 0.438 101 Q N 0.042 119.807 119.800 -0.058 0.000 2.119 101 Q HA -0.020 4.320 4.340 -0.000 0.000 0.201 101 Q C 2.570 178.516 176.000 -0.091 0.000 0.972 101 Q CA 0.885 56.642 55.803 -0.076 0.000 0.847 101 Q CB -0.270 28.443 28.738 -0.041 0.000 0.903 101 Q HN 0.331 nan 8.270 nan 0.000 0.433 102 V N 0.141 120.003 119.914 -0.086 0.000 2.307 102 V HA -0.302 3.818 4.120 -0.000 0.000 0.245 102 V C 2.336 178.358 176.094 -0.121 0.000 1.045 102 V CA 1.624 63.818 62.300 -0.177 0.000 1.024 102 V CB -0.482 31.066 31.823 -0.459 0.000 0.651 102 V HN 0.602 nan 8.190 nan 0.000 0.449 103 C N 0.413 119.687 119.300 -0.042 0.000 2.429 103 C HA -0.104 4.356 4.460 -0.000 0.000 0.277 103 C C 3.097 178.018 174.990 -0.115 0.000 1.262 103 C CA 0.829 59.832 59.018 -0.025 0.000 1.733 103 C CB -1.260 26.494 27.740 0.024 0.000 2.010 103 C HN 0.584 nan 8.230 nan 0.000 0.483 104 A N 0.679 123.386 122.820 -0.189 0.000 1.892 104 A HA -0.009 4.311 4.320 -0.000 0.000 0.218 104 A C 2.527 180.050 177.584 -0.102 0.000 1.188 104 A CA 2.704 54.644 52.037 -0.162 0.000 0.631 104 A CB -1.337 17.563 19.000 -0.167 0.000 0.822 104 A HN 0.927 nan 8.150 nan 0.000 0.447 105 A N -0.510 122.255 122.820 -0.092 0.000 1.877 105 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 105 A C 2.237 179.786 177.584 -0.057 0.000 1.186 105 A CA 1.588 53.583 52.037 -0.070 0.000 0.620 105 A CB -0.507 18.450 19.000 -0.072 0.000 0.822 105 A HN 0.559 nan 8.150 nan 0.000 0.443 106 R N -0.196 120.271 120.500 -0.056 0.000 2.083 106 R HA -0.114 4.226 4.340 -0.000 0.000 0.237 106 R C 2.544 178.828 176.300 -0.027 0.000 1.137 106 R CA 1.744 57.825 56.100 -0.032 0.000 0.951 106 R CB -0.433 29.860 30.300 -0.013 0.000 0.851 106 R HN 0.525 nan 8.270 nan 0.000 0.434 107 S N 1.061 116.740 115.700 -0.036 0.000 2.368 107 S HA -0.118 4.352 4.470 -0.000 0.000 0.224 107 S C 1.803 176.380 174.600 -0.039 0.000 1.029 107 S CA 0.932 59.110 58.200 -0.037 0.000 0.988 107 S CB -0.227 62.941 63.200 -0.053 0.000 0.838 107 S HN 0.175 nan 8.310 nan 0.000 0.462 108 L N 2.189 123.385 121.223 -0.045 0.000 2.046 108 L HA 0.003 4.343 4.340 -0.000 0.000 0.208 108 L C 2.293 179.146 176.870 -0.029 0.000 1.077 108 L CA 1.774 56.591 54.840 -0.038 0.000 0.747 108 L CB -0.566 41.468 42.059 -0.041 0.000 0.896 108 L HN 0.137 nan 8.230 nan 0.000 0.432 109 R N -0.377 120.106 120.500 -0.028 0.000 2.081 109 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 109 R C 2.193 178.483 176.300 -0.017 0.000 1.131 109 R CA 1.502 57.589 56.100 -0.021 0.000 0.960 109 R CB -0.513 29.774 30.300 -0.021 0.000 0.856 109 R HN 0.499 nan 8.270 nan 0.000 0.436 110 A N 0.565 123.375 122.820 -0.017 0.000 1.908 110 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 110 A C 2.133 179.707 177.584 -0.017 0.000 1.181 110 A CA 1.695 53.723 52.037 -0.015 0.000 0.627 110 A CB -0.744 18.247 19.000 -0.015 0.000 0.818 110 A HN 0.633 nan 8.150 nan 0.000 0.445 111 Q N -0.603 119.184 119.800 -0.021 0.000 2.084 111 Q HA -0.269 4.071 4.340 -0.000 0.000 0.202 111 Q C 2.154 178.145 176.000 -0.014 0.000 0.978 111 Q CA 1.875 57.667 55.803 -0.019 0.000 0.844 111 Q CB -0.202 28.523 28.738 -0.022 0.000 0.898 111 Q HN 0.796 nan 8.270 nan 0.000 0.426 112 Q N -0.045 119.746 119.800 -0.014 0.000 2.124 112 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 112 Q C 1.860 177.855 176.000 -0.008 0.000 0.977 112 Q CA 1.199 56.995 55.803 -0.011 0.000 0.850 112 Q CB 0.036 28.766 28.738 -0.012 0.000 0.901 112 Q HN 0.433 nan 8.270 nan 0.000 0.429 113 L N -1.140 120.079 121.223 -0.008 0.000 2.591 113 L HA 0.150 4.490 4.340 -0.000 0.000 0.228 113 L C 1.016 177.883 176.870 -0.004 0.000 1.133 113 L CA 0.454 55.291 54.840 -0.005 0.000 0.880 113 L CB 0.109 42.166 42.059 -0.003 0.000 1.033 113 L HN 0.435 nan 8.230 nan 0.000 0.450 114 G N -0.201 108.596 108.800 -0.006 0.000 2.163 114 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.213 114 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.213 114 G C 0.378 175.274 174.900 -0.007 0.000 0.991 114 G CA -0.189 44.909 45.100 -0.004 0.000 0.653 114 G HN 0.432 nan 8.290 nan 0.000 0.518 115 A N 0.164 122.976 122.820 -0.013 0.000 2.498 115 A HA 0.716 5.036 4.320 -0.000 0.000 0.239 115 A C 1.618 179.186 177.584 -0.027 0.000 1.068 115 A CA 1.179 53.203 52.037 -0.022 0.000 0.766 115 A CB 0.586 19.571 19.000 -0.026 0.000 1.003 115 A HN 1.770 nan 8.150 nan 0.000 0.497 116 A N 2.148 124.940 122.820 -0.045 0.000 2.132 116 A HA 0.490 4.810 4.320 -0.000 0.000 0.213 116 A C 0.713 178.235 177.584 -0.103 0.000 1.154 116 A CA 1.262 53.269 52.037 -0.051 0.000 0.753 116 A CB -0.121 18.818 19.000 -0.103 0.000 0.826 116 A HN 1.067 nan 8.150 nan 0.000 0.469 117 M N -0.743 118.778 119.600 -0.132 0.000 2.694 117 M HA 0.416 4.896 4.480 -0.000 0.000 0.276 117 M C -2.073 174.149 176.300 -0.130 0.000 1.167 117 M CA -0.687 54.502 55.300 -0.185 0.000 0.849 117 M CB 1.913 34.291 32.600 -0.370 0.000 1.705 117 M HN 0.193 nan 8.290 nan 0.000 0.504 118 V N 0.733 120.578 119.914 -0.115 0.000 2.919 118 V HA 0.814 4.934 4.120 -0.000 0.000 0.316 118 V C -1.004 175.050 176.094 -0.067 0.000 1.077 118 V CA -0.779 61.482 62.300 -0.065 0.000 0.977 118 V CB 2.046 33.853 31.823 -0.026 0.000 1.039 118 V HN 1.039 nan 8.190 nan 0.000 0.441 119 M N 3.198 122.789 119.600 -0.014 0.000 2.321 119 M HA 0.869 5.349 4.480 -0.000 0.000 0.315 119 M C -0.796 175.565 176.300 0.101 0.000 1.052 119 M CA -0.566 54.742 55.300 0.014 0.000 0.936 119 M CB 1.806 34.411 32.600 0.009 0.000 1.639 119 M HN 1.212 nan 8.290 nan 0.000 0.433 120 A N 5.897 128.825 122.820 0.179 0.000 2.398 120 A HA 0.694 5.014 4.320 -0.000 0.000 0.301 120 A C -0.646 177.116 177.584 0.297 0.000 1.041 120 A CA -0.906 51.284 52.037 0.255 0.000 0.711 120 A CB 1.513 20.713 19.000 0.333 0.000 1.240 120 A HN 0.866 nan 8.150 nan 0.000 0.420 121 M N 3.027 122.769 119.600 0.236 0.000 2.240 121 M HA 0.188 4.668 4.480 -0.000 0.000 0.317 121 M C -1.959 174.447 176.300 0.178 0.000 1.087 121 M CA -1.255 54.187 55.300 0.236 0.000 1.176 121 M CB -0.478 32.292 32.600 0.283 0.000 1.439 121 M HN 0.497 nan 8.290 nan 0.000 0.452 122 P HA 0.195 nan 4.420 nan 0.000 0.272 122 P C -2.651 174.517 177.300 -0.220 0.000 1.230 122 P CA -1.115 61.941 63.100 -0.074 0.000 0.788 122 P CB -0.755 31.018 31.700 0.121 0.000 0.949 123 P HA 0.077 nan 4.420 nan 0.000 0.267 123 P C -0.936 176.278 177.300 -0.143 0.000 1.205 123 P CA 0.786 63.501 63.100 -0.642 0.000 0.765 123 P CB -0.173 30.886 31.700 -1.069 0.000 0.828 124 Y N -0.413 119.883 120.300 -0.006 0.000 2.741 124 Y HA 0.590 5.140 4.550 -0.000 0.000 0.339 124 Y C -1.795 174.346 175.900 0.401 0.000 1.226 124 Y CA -1.131 57.101 58.100 0.221 0.000 1.072 124 Y CB 1.174 39.689 38.460 0.091 0.000 1.331 124 Y HN 0.482 nan 8.280 nan 0.000 0.453 125 H N 0.989 120.207 119.070 0.247 0.000 2.947 125 H HA 0.499 5.055 4.556 -0.000 0.000 0.354 125 H C 0.371 175.895 175.328 0.327 0.000 1.085 125 H CA -0.025 56.039 56.048 0.025 0.000 1.253 125 H CB 1.760 31.438 29.762 -0.139 0.000 1.757 125 H HN 1.529 nan 8.280 nan 0.000 0.523 126 G N 2.143 110.685 108.800 -0.430 0.000 2.578 126 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.284 126 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.284 126 G C 0.831 175.787 174.900 0.094 0.000 1.283 126 G CA 0.579 45.586 45.100 -0.156 0.000 0.944 126 G HN 0.948 nan 8.290 nan 0.000 0.558 127 A N -1.347 121.489 122.820 0.027 0.000 2.218 127 A HA 0.460 4.780 4.320 -0.000 0.000 0.209 127 A C 2.159 179.724 177.584 -0.033 0.000 1.168 127 A CA 2.520 54.553 52.037 -0.006 0.000 0.804 127 A CB -0.311 18.669 19.000 -0.033 0.000 0.834 127 A HN 2.118 nan 8.150 nan 0.000 0.482 128 T N -5.061 109.459 114.554 -0.056 0.000 2.966 128 T HA 0.359 4.709 4.350 -0.000 0.000 0.254 128 T C -0.044 174.479 174.700 -0.295 0.000 0.961 128 T CA -0.261 61.697 62.100 -0.238 0.000 0.915 128 T CB -0.248 68.367 68.868 -0.420 0.000 1.186 128 T HN 0.043 nan 8.240 nan 0.000 0.505 129 F N 3.255 123.283 119.950 0.130 0.000 2.390 129 F HA 0.685 5.212 4.527 0.000 0.000 0.361 129 F C 0.767 176.706 175.800 0.232 0.000 1.124 129 F CA -1.027 57.070 58.000 0.163 0.000 1.149 129 F CB 0.663 39.746 39.000 0.138 0.000 1.160 129 F HN -0.192 nan 8.300 nan 0.000 0.501 130 R N 1.621 122.289 120.500 0.280 0.000 2.939 130 R HA 0.815 5.155 4.340 -0.000 0.000 0.254 130 R C -1.243 175.171 176.300 0.191 0.000 1.123 130 R CA -1.207 55.025 56.100 0.221 0.000 1.020 130 R CB 1.922 32.284 30.300 0.103 0.000 1.206 130 R HN 0.304 nan 8.270 nan 0.000 0.491 131 V N 2.211 122.184 119.914 0.100 0.000 2.656 131 V HA 0.380 4.499 4.120 -0.000 0.000 0.307 131 V C -2.198 173.906 176.094 0.017 0.000 1.051 131 V CA -1.932 60.397 62.300 0.049 0.000 0.893 131 V CB 2.117 33.902 31.823 -0.063 0.000 0.999 131 V HN 0.596 nan 8.190 nan 0.000 0.426 132 P HA 0.197 nan 4.420 nan 0.000 0.272 132 P C 0.851 178.126 177.300 -0.042 0.000 1.230 132 P CA -0.162 62.927 63.100 -0.018 0.000 0.788 132 P CB 0.915 32.614 31.700 -0.002 0.000 0.949 133 E N 1.094 121.213 120.200 -0.135 0.000 2.085 133 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 133 E C 1.853 178.423 176.600 -0.051 0.000 0.994 133 E CA 1.523 57.749 56.400 -0.289 0.000 0.801 133 E CB -0.338 29.035 29.700 -0.546 0.000 0.743 133 E HN 0.510 nan 8.360 nan 0.000 0.453 134 A N 0.471 123.292 122.820 0.002 0.000 1.940 134 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 134 A C 2.003 179.706 177.584 0.198 0.000 1.176 134 A CA 1.575 53.671 52.037 0.097 0.000 0.631 134 A CB -0.340 18.678 19.000 0.030 0.000 0.814 134 A HN 0.169 nan 8.150 nan 0.000 0.446 135 Q N -0.459 119.427 119.800 0.144 0.000 2.269 135 Q HA 0.169 4.509 4.340 -0.000 0.000 0.201 135 Q C 1.843 177.972 176.000 0.217 0.000 0.946 135 Q CA 0.798 56.697 55.803 0.160 0.000 0.877 135 Q CB -0.321 28.471 28.738 0.090 0.000 0.963 135 Q HN 0.758 nan 8.270 nan 0.000 0.472 136 I N -0.430 120.274 120.570 0.223 0.000 2.179 136 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 136 I C 1.859 178.318 176.117 0.570 0.000 1.088 136 I CA 1.074 62.560 61.300 0.309 0.000 1.357 136 I CB -0.296 37.903 38.000 0.331 0.000 1.051 136 I HN 0.164 nan 8.210 nan 0.000 0.409 137 F N 2.044 122.309 119.950 0.524 0.000 2.095 137 F HA -0.250 4.277 4.527 -0.000 0.000 0.298 137 F C 2.429 178.414 175.800 0.310 0.000 1.104 137 F CA 1.888 60.169 58.000 0.469 0.000 1.232 137 F CB -0.265 38.996 39.000 0.435 0.000 0.987 137 F HN 0.045 nan 8.300 nan 0.000 0.475 138 E N -0.536 119.995 120.200 0.553 0.000 2.077 138 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 138 E C 2.112 178.825 176.600 0.187 0.000 0.989 138 E CA 1.461 58.067 56.400 0.343 0.000 0.800 138 E CB -0.563 29.292 29.700 0.258 0.000 0.746 138 E HN 0.510 nan 8.360 nan 0.000 0.452 139 F N 0.686 120.652 119.950 0.026 0.000 2.063 139 F HA -0.331 4.196 4.527 0.000 0.000 0.298 139 F C 1.892 177.586 175.800 -0.176 0.000 1.109 139 F CA 1.747 59.671 58.000 -0.128 0.000 1.212 139 F CB -0.415 38.437 39.000 -0.247 0.000 0.973 139 F HN 0.021 nan 8.300 nan 0.000 0.480 140 Y N 0.121 120.517 120.300 0.160 0.000 2.263 140 Y HA -0.012 4.538 4.550 -0.000 0.000 0.292 140 Y C 2.589 178.369 175.900 -0.200 0.000 1.130 140 Y CA 1.080 59.149 58.100 -0.051 0.000 1.179 140 Y CB -1.273 37.156 38.460 -0.052 0.000 0.998 140 Y HN 0.187 nan 8.280 nan 0.000 0.532 141 A N 0.432 123.205 122.820 -0.078 0.000 1.908 141 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 141 A C 2.237 179.777 177.584 -0.072 0.000 1.181 141 A CA 1.916 53.889 52.037 -0.107 0.000 0.627 141 A CB -0.505 18.469 19.000 -0.044 0.000 0.818 141 A HN 0.427 nan 8.150 nan 0.000 0.445 142 R N -1.000 119.443 120.500 -0.095 0.000 2.119 142 R HA 0.023 4.363 4.340 -0.000 0.000 0.222 142 R C 1.986 178.184 176.300 -0.170 0.000 1.088 142 R CA 1.080 57.111 56.100 -0.115 0.000 0.984 142 R CB -0.377 29.849 30.300 -0.122 0.000 0.884 142 R HN 0.382 nan 8.270 nan 0.000 0.447 143 V N 0.366 120.122 119.914 -0.264 0.000 2.343 143 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 143 V C 2.378 178.395 176.094 -0.129 0.000 1.051 143 V CA 2.110 64.263 62.300 -0.245 0.000 1.036 143 V CB -0.425 31.191 31.823 -0.345 0.000 0.654 143 V HN 0.347 nan 8.190 nan 0.000 0.451 144 S N -0.206 115.437 115.700 -0.096 0.000 2.370 144 S HA -0.257 4.213 4.470 -0.000 0.000 0.226 144 S C 1.780 176.343 174.600 -0.061 0.000 1.033 144 S CA 1.896 60.055 58.200 -0.069 0.000 1.011 144 S CB -0.506 62.652 63.200 -0.069 0.000 0.852 144 S HN 0.640 nan 8.310 nan 0.000 0.457 145 D N 1.286 121.649 120.400 -0.061 0.000 2.182 145 D HA -0.037 4.603 4.640 -0.000 0.000 0.201 145 D C 2.072 178.343 176.300 -0.048 0.000 0.986 145 D CA 1.288 55.261 54.000 -0.045 0.000 0.847 145 D CB -0.525 40.252 40.800 -0.039 0.000 0.942 145 D HN 0.533 nan 8.370 nan 0.000 0.467 146 A N 0.371 123.153 122.820 -0.064 0.000 2.014 146 A HA 0.087 4.407 4.320 -0.000 0.000 0.218 146 A C 1.403 178.957 177.584 -0.050 0.000 1.163 146 A CA 0.493 52.493 52.037 -0.061 0.000 0.652 146 A CB -0.298 18.654 19.000 -0.080 0.000 0.808 146 A HN 0.403 nan 8.150 nan 0.000 0.449 147 I N -7.392 113.148 120.570 -0.050 0.000 3.206 147 I HA 0.789 4.959 4.170 -0.000 0.000 0.313 147 I C 0.252 176.349 176.117 -0.034 0.000 1.103 147 I CA -0.687 60.588 61.300 -0.042 0.000 0.985 147 I CB 2.201 40.172 38.000 -0.047 0.000 1.240 147 I HN -0.128 nan 8.210 nan 0.000 0.464 148 A N 2.342 125.145 122.820 -0.028 0.000 2.585 148 A HA 0.522 4.842 4.320 -0.000 0.000 0.266 148 A C 0.417 177.991 177.584 -0.017 0.000 1.178 148 A CA -0.288 51.737 52.037 -0.020 0.000 0.966 148 A CB -0.205 18.786 19.000 -0.015 0.000 1.170 148 A HN 0.649 nan 8.150 nan 0.000 0.558 149 I N -2.507 118.049 120.570 -0.024 0.000 2.750 149 I HA 0.599 4.769 4.170 -0.000 0.000 0.308 149 I C -2.712 173.382 176.117 -0.039 0.000 1.016 149 I CA -2.994 58.292 61.300 -0.023 0.000 1.098 149 I CB 1.804 39.786 38.000 -0.030 0.000 1.279 149 I HN -0.166 nan 8.210 nan 0.000 0.454 150 P HA 0.294 nan 4.420 nan 0.000 0.272 150 P C -0.831 176.402 177.300 -0.111 0.000 1.240 150 P CA 0.025 63.093 63.100 -0.054 0.000 0.791 150 P CB 1.266 32.966 31.700 -0.001 0.000 0.978 151 I N 1.502 122.003 120.570 -0.114 0.000 2.441 151 I HA 0.406 4.575 4.170 -0.000 0.000 0.295 151 I C 0.608 176.581 176.117 -0.240 0.000 0.994 151 I CA -0.905 60.312 61.300 -0.137 0.000 1.144 151 I CB 1.729 39.680 38.000 -0.081 0.000 1.314 151 I HN 0.236 nan 8.210 nan 0.000 0.445 152 M N 6.809 126.260 119.600 -0.248 0.000 2.205 152 M HA 0.458 4.938 4.480 -0.000 0.000 0.344 152 M C -1.372 174.775 176.300 -0.255 0.000 1.085 152 M CA -0.642 54.457 55.300 -0.336 0.000 1.001 152 M CB 1.302 33.720 32.600 -0.304 0.000 1.626 152 M HN 0.284 nan 8.290 nan 0.000 0.442 153 V N 5.199 124.845 119.914 -0.447 0.000 2.488 153 V HA 0.161 4.281 4.120 -0.000 0.000 0.277 153 V C -0.019 176.057 176.094 -0.029 0.000 1.046 153 V CA -0.308 61.849 62.300 -0.240 0.000 0.986 153 V CB 1.145 32.730 31.823 -0.398 0.000 0.989 153 V HN 0.842 nan 8.190 nan 0.000 0.475 154 Q N 3.337 123.189 119.800 0.086 0.000 2.303 154 Q HA 0.292 4.632 4.340 -0.000 0.000 0.257 154 Q C -0.975 175.097 176.000 0.120 0.000 0.941 154 Q CA -0.532 55.333 55.803 0.103 0.000 0.931 154 Q CB 1.033 29.843 28.738 0.120 0.000 1.215 154 Q HN 0.822 nan 8.270 nan 0.000 0.437 155 D N 3.556 124.021 120.400 0.108 0.000 2.477 155 D HA 0.532 5.172 4.640 -0.000 0.000 0.239 155 D C -1.677 174.658 176.300 0.058 0.000 1.102 155 D CA -0.219 53.837 54.000 0.092 0.000 0.901 155 D CB 0.622 41.484 40.800 0.103 0.000 1.026 155 D HN 0.575 nan 8.370 nan 0.000 0.515 156 A N 3.780 126.620 122.820 0.034 0.000 2.556 156 A HA 0.631 4.951 4.320 -0.000 0.000 0.294 156 A C -2.064 175.504 177.584 -0.027 0.000 1.091 156 A CA -1.342 50.705 52.037 0.017 0.000 0.704 156 A CB 1.462 20.485 19.000 0.038 0.000 1.300 156 A HN 0.309 nan 8.150 nan 0.000 0.406 157 P HA -0.140 nan 4.420 nan 0.000 0.217 157 P C 1.581 178.817 177.300 -0.107 0.000 1.148 157 P CA 2.227 65.294 63.100 -0.054 0.000 0.828 157 P CB 0.178 31.862 31.700 -0.027 0.000 0.783 158 A N -0.019 122.740 122.820 -0.100 0.000 2.019 158 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 158 A C 2.244 179.570 177.584 -0.430 0.000 1.164 158 A CA 2.021 53.969 52.037 -0.148 0.000 0.644 158 A CB -1.382 17.599 19.000 -0.030 0.000 0.805 158 A HN 0.362 nan 8.150 nan 0.000 0.449 159 S N -1.474 113.882 115.700 -0.574 0.000 2.522 159 S HA 0.300 4.769 4.470 -0.000 0.000 0.227 159 S C 1.530 175.709 174.600 -0.701 0.000 0.986 159 S CA 0.977 58.435 58.200 -1.236 0.000 0.929 159 S CB -0.729 62.065 63.200 -0.676 0.000 0.769 159 S HN 1.843 nan 8.310 nan 0.000 0.529 160 G N 0.848 109.440 108.800 -0.348 0.000 2.296 160 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.282 160 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.282 160 G C 0.061 174.888 174.900 -0.121 0.000 1.014 160 G CA 0.736 45.728 45.100 -0.180 0.000 0.812 160 G HN 0.639 nan 8.290 nan 0.000 0.508 161 T N 0.253 114.735 114.554 -0.119 0.000 2.812 161 T HA 0.682 5.032 4.350 -0.000 0.000 0.282 161 T C 0.329 175.015 174.700 -0.023 0.000 0.990 161 T CA 0.328 62.395 62.100 -0.054 0.000 0.960 161 T CB 1.754 70.603 68.868 -0.032 0.000 0.948 161 T HN 1.171 nan 8.240 nan 0.000 0.438 162 A N 3.870 126.680 122.820 -0.017 0.000 2.354 162 A HA 0.619 4.939 4.320 -0.000 0.000 0.281 162 A C -0.647 176.957 177.584 0.033 0.000 1.174 162 A CA -0.395 51.642 52.037 -0.001 0.000 0.828 162 A CB -0.130 18.859 19.000 -0.018 0.000 1.099 162 A HN 0.575 nan 8.150 nan 0.000 0.516 163 L N 3.544 124.820 121.223 0.087 0.000 2.324 163 L HA 0.322 4.662 4.340 -0.000 0.000 0.274 163 L C 0.872 177.840 176.870 0.164 0.000 1.012 163 L CA -0.082 54.879 54.840 0.202 0.000 0.859 163 L CB 0.493 42.703 42.059 0.251 0.000 1.224 163 L HN 0.832 nan 8.230 nan 0.000 0.429 164 S N 1.358 117.161 115.700 0.171 0.000 2.593 164 S HA 0.432 4.902 4.470 -0.000 0.000 0.269 164 S C 1.469 176.120 174.600 0.085 0.000 1.334 164 S CA 0.085 58.347 58.200 0.103 0.000 1.015 164 S CB 1.216 64.468 63.200 0.086 0.000 0.912 164 S HN 0.635 nan 8.310 nan 0.000 0.541 165 A N 1.817 124.643 122.820 0.009 0.000 1.933 165 A HA 0.082 4.402 4.320 -0.000 0.000 0.218 165 A C -0.397 177.159 177.584 -0.046 0.000 1.175 165 A CA 1.369 53.370 52.037 -0.061 0.000 0.628 165 A CB -2.085 16.871 19.000 -0.074 0.000 0.814 165 A HN 0.746 nan 8.150 nan 0.000 0.444 166 P HA -0.112 nan 4.420 nan 0.000 0.217 166 P C 1.441 178.795 177.300 0.089 0.000 1.150 166 P CA 0.819 63.941 63.100 0.036 0.000 0.832 166 P CB -0.122 31.613 31.700 0.058 0.000 0.787 167 F N 0.048 120.000 119.950 0.003 0.000 2.113 167 F HA -0.127 4.400 4.527 0.000 0.000 0.297 167 F C 1.941 177.775 175.800 0.057 0.000 1.103 167 F CA 1.161 59.193 58.000 0.053 0.000 1.248 167 F CB -0.577 38.462 39.000 0.066 0.000 0.999 167 F HN -0.282 nan 8.300 nan 0.000 0.475 168 L N 0.334 121.465 121.223 -0.155 0.000 2.012 168 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 168 L C 2.845 179.553 176.870 -0.270 0.000 1.073 168 L CA 1.335 56.019 54.840 -0.260 0.000 0.748 168 L CB -1.270 40.591 42.059 -0.330 0.000 0.891 168 L HN 0.255 nan 8.230 nan 0.000 0.431 169 A N -0.103 122.568 122.820 -0.249 0.000 1.933 169 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 169 A C 2.435 179.965 177.584 -0.090 0.000 1.175 169 A CA 1.738 53.667 52.037 -0.179 0.000 0.628 169 A CB -0.561 18.351 19.000 -0.146 0.000 0.814 169 A HN 0.370 nan 8.150 nan 0.000 0.444 170 R N -0.825 119.632 120.500 -0.072 0.000 2.092 170 R HA -0.035 4.305 4.340 -0.000 0.000 0.231 170 R C 2.113 178.429 176.300 0.026 0.000 1.119 170 R CA 1.610 57.717 56.100 0.012 0.000 0.970 170 R CB -0.304 30.049 30.300 0.088 0.000 0.864 170 R HN 0.534 nan 8.270 nan 0.000 0.440 171 M N -0.021 119.486 119.600 -0.154 0.000 2.117 171 M HA -0.121 4.359 4.480 -0.000 0.000 0.262 171 M C 2.455 178.670 176.300 -0.141 0.000 1.065 171 M CA 1.747 56.900 55.300 -0.246 0.000 1.114 171 M CB -0.309 31.997 32.600 -0.491 0.000 1.361 171 M HN 0.326 nan 8.290 nan 0.000 0.408 172 A N 0.813 123.611 122.820 -0.036 0.000 1.883 172 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 172 A C 2.161 179.735 177.584 -0.017 0.000 1.186 172 A CA 1.684 53.736 52.037 0.024 0.000 0.624 172 A CB -0.648 18.441 19.000 0.148 0.000 0.822 172 A HN 0.465 nan 8.150 nan 0.000 0.444 173 R N -0.560 119.936 120.500 -0.006 0.000 2.115 173 R HA -0.064 4.276 4.340 -0.000 0.000 0.230 173 R C 1.741 178.055 176.300 0.023 0.000 1.111 173 R CA 1.484 57.587 56.100 0.005 0.000 0.976 173 R CB -0.186 30.120 30.300 0.011 0.000 0.870 173 R HN 0.667 nan 8.270 nan 0.000 0.445 174 E N -0.116 120.114 120.200 0.051 0.000 2.415 174 E HA 0.148 4.498 4.350 -0.000 0.000 0.197 174 E C 0.112 176.742 176.600 0.049 0.000 1.007 174 E CA 0.210 56.676 56.400 0.110 0.000 0.890 174 E CB 0.596 30.475 29.700 0.298 0.000 0.891 174 E HN 0.197 nan 8.360 nan 0.000 0.496 175 I N 1.272 121.805 120.570 -0.062 0.000 2.389 175 I HA 0.076 4.246 4.170 -0.000 0.000 0.288 175 I C 1.074 177.136 176.117 -0.090 0.000 0.999 175 I CA -0.361 60.866 61.300 -0.120 0.000 1.129 175 I CB 1.967 39.797 38.000 -0.283 0.000 1.288 175 I HN -0.082 nan 8.210 nan 0.000 0.444 176 E N 4.273 124.438 120.200 -0.058 0.000 2.033 176 E HA -0.265 4.085 4.350 -0.000 0.000 0.199 176 E C 1.490 178.055 176.600 -0.059 0.000 1.011 176 E CA 1.983 58.356 56.400 -0.046 0.000 0.815 176 E CB 0.231 29.912 29.700 -0.032 0.000 0.755 176 E HN 0.560 nan 8.360 nan 0.000 0.451 177 Q N -0.192 119.567 119.800 -0.067 0.000 2.378 177 Q HA 0.079 4.419 4.340 -0.000 0.000 0.205 177 Q C 0.027 175.962 176.000 -0.108 0.000 0.954 177 Q CA 0.221 55.984 55.803 -0.067 0.000 0.901 177 Q CB 0.216 28.918 28.738 -0.059 0.000 0.981 177 Q HN 0.177 nan 8.270 nan 0.000 0.483 178 V N 1.552 121.372 119.914 -0.157 0.000 2.450 178 V HA 0.185 4.305 4.120 -0.000 0.000 0.281 178 V C 0.814 176.751 176.094 -0.261 0.000 1.019 178 V CA 0.838 62.977 62.300 -0.268 0.000 1.062 178 V CB 0.666 32.291 31.823 -0.331 0.000 0.979 178 V HN 0.277 nan 8.190 nan 0.000 0.477 179 A N 4.465 127.075 122.820 -0.351 0.000 2.574 179 A HA 0.385 4.705 4.320 -0.000 0.000 0.170 179 A C -0.077 177.137 177.584 -0.616 0.000 1.617 179 A CA -0.007 51.846 52.037 -0.308 0.000 1.189 179 A CB 0.407 19.321 19.000 -0.142 0.000 1.496 179 A HN 0.584 nan 8.150 nan 0.000 0.505 180 Y N -1.378 118.454 120.300 -0.781 0.000 2.562 180 Y HA 0.783 5.333 4.550 -0.000 0.000 0.343 180 Y C -0.341 174.822 175.900 -1.227 0.000 1.025 180 Y CA -1.259 56.332 58.100 -0.849 0.000 1.082 180 Y CB 1.395 39.346 38.460 -0.848 0.000 1.264 180 Y HN 0.146 nan 8.280 nan 0.000 0.478 184 E N 2.182 122.411 120.200 0.048 0.000 2.714 184 E HA 0.108 4.458 4.350 -0.000 0.000 0.219 184 E C 0.469 177.082 176.600 0.020 0.000 0.979 184 E CA -0.033 56.386 56.400 0.031 0.000 1.092 184 E CB 1.305 31.023 29.700 0.030 0.000 1.049 184 E HN 0.726 nan 8.360 nan 0.000 0.487 185 T N -0.390 114.175 114.554 0.019 0.000 2.849 185 T HA 0.320 4.670 4.350 -0.000 0.000 0.284 185 T C -2.427 172.276 174.700 0.005 0.000 1.004 185 T CA -1.781 60.324 62.100 0.009 0.000 1.021 185 T CB 0.858 69.730 68.868 0.007 0.000 1.013 185 T HN -0.276 nan 8.240 nan 0.000 0.527 186 P HA 0.306 nan 4.420 nan 0.000 0.266 186 P C 0.949 178.248 177.300 -0.003 0.000 1.195 186 P CA 0.953 64.054 63.100 0.001 0.000 0.768 186 P CB 0.022 31.721 31.700 -0.001 0.000 0.838 187 G N 2.096 110.894 108.800 -0.003 0.000 2.198 187 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.257 187 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.257 187 G C 1.097 175.989 174.900 -0.013 0.000 1.042 187 G CA 0.267 45.361 45.100 -0.009 0.000 0.791 187 G HN 0.668 nan 8.290 nan 0.000 0.502 188 A N -0.187 122.627 122.820 -0.010 0.000 1.917 188 A HA 0.222 4.542 4.320 -0.000 0.000 0.219 188 A C 2.867 180.437 177.584 -0.023 0.000 1.182 188 A CA 2.804 54.834 52.037 -0.011 0.000 0.633 188 A CB -0.827 18.172 19.000 -0.003 0.000 0.819 188 A HN 1.941 nan 8.150 nan 0.000 0.448 189 A N 0.164 122.966 122.820 -0.030 0.000 1.877 189 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 189 A C 1.941 179.504 177.584 -0.035 0.000 1.186 189 A CA 1.909 53.921 52.037 -0.041 0.000 0.620 189 A CB -0.673 18.295 19.000 -0.052 0.000 0.822 189 A HN 0.549 nan 8.150 nan 0.000 0.443 190 N N -0.225 118.457 118.700 -0.029 0.000 2.120 190 N HA -0.158 4.582 4.740 -0.000 0.000 0.188 190 N C 1.664 177.155 175.510 -0.032 0.000 1.024 190 N CA 1.693 54.727 53.050 -0.026 0.000 0.852 190 N CB -0.353 38.121 38.487 -0.021 0.000 1.003 190 N HN 0.690 nan 8.380 nan 0.000 0.424 191 K N 0.799 121.178 120.400 -0.034 0.000 2.057 191 K HA 0.017 4.337 4.320 -0.000 0.000 0.206 191 K C 2.033 178.592 176.600 -0.069 0.000 1.050 191 K CA 0.608 56.867 56.287 -0.047 0.000 0.935 191 K CB -0.108 32.370 32.500 -0.038 0.000 0.715 191 K HN 0.041 nan 8.250 nan 0.000 0.439 192 L N 0.664 121.852 121.223 -0.058 0.000 2.042 192 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 192 L C 2.802 179.632 176.870 -0.066 0.000 1.076 192 L CA 1.511 56.311 54.840 -0.066 0.000 0.749 192 L CB -0.382 41.654 42.059 -0.037 0.000 0.893 192 L HN 0.239 nan 8.230 nan 0.000 0.432 193 R N -0.059 120.413 120.500 -0.047 0.000 2.096 193 R HA -0.229 4.111 4.340 -0.000 0.000 0.235 193 R C 2.230 178.502 176.300 -0.047 0.000 1.127 193 R CA 1.699 57.778 56.100 -0.035 0.000 0.968 193 R CB -0.002 30.287 30.300 -0.019 0.000 0.861 193 R HN 0.223 nan 8.270 nan 0.000 0.440 194 E N 0.374 120.540 120.200 -0.056 0.000 2.107 194 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 194 E C 1.793 178.337 176.600 -0.094 0.000 0.982 194 E CA 0.757 57.121 56.400 -0.060 0.000 0.809 194 E CB -0.220 29.448 29.700 -0.052 0.000 0.756 194 E HN 0.279 nan 8.360 nan 0.000 0.459 195 L N 0.356 121.497 121.223 -0.136 0.000 2.042 195 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 195 L C 2.054 178.811 176.870 -0.189 0.000 1.076 195 L CA 1.734 56.440 54.840 -0.223 0.000 0.749 195 L CB -0.376 41.481 42.059 -0.336 0.000 0.893 195 L HN 0.259 nan 8.230 nan 0.000 0.432 196 I N -0.894 119.596 120.570 -0.132 0.000 2.286 196 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 196 I C 2.728 178.803 176.117 -0.070 0.000 1.104 196 I CA 1.218 62.462 61.300 -0.094 0.000 1.397 196 I CB -0.373 37.595 38.000 -0.054 0.000 1.072 196 I HN 0.304 nan 8.210 nan 0.000 0.417 197 R N 1.445 121.910 120.500 -0.059 0.000 2.073 197 R HA -0.146 4.194 4.340 -0.000 0.000 0.234 197 R C 2.273 178.545 176.300 -0.046 0.000 1.134 197 R CA 1.497 57.573 56.100 -0.041 0.000 0.952 197 R CB -0.177 30.104 30.300 -0.031 0.000 0.850 197 R HN 0.310 nan 8.270 nan 0.000 0.433 198 L N -0.800 120.386 121.223 -0.062 0.000 2.217 198 L HA 0.035 4.374 4.340 -0.000 0.000 0.211 198 L C 2.313 179.144 176.870 -0.065 0.000 1.107 198 L CA 1.136 55.941 54.840 -0.059 0.000 0.783 198 L CB -0.200 41.820 42.059 -0.064 0.000 0.919 198 L HN 0.420 nan 8.230 nan 0.000 0.442 199 G N -1.312 107.434 108.800 -0.090 0.000 2.796 199 G HA2 0.343 4.303 3.960 -0.000 0.000 0.210 199 G HA3 0.343 4.303 3.960 -0.000 0.000 0.210 199 G C 1.075 175.940 174.900 -0.059 0.000 1.146 199 G CA 0.507 45.556 45.100 -0.086 0.000 0.779 199 G HN 0.461 nan 8.290 nan 0.000 0.535 200 G N 1.212 109.980 108.800 -0.054 0.000 2.634 200 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.309 200 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.309 200 G C 0.827 175.703 174.900 -0.040 0.000 1.265 200 G CA 0.591 45.668 45.100 -0.038 0.000 0.998 200 G HN 0.210 nan 8.290 nan 0.000 0.551 201 D N 1.052 121.433 120.400 -0.032 0.000 2.310 201 D HA 0.107 4.747 4.640 -0.000 0.000 0.212 201 D C 2.614 178.886 176.300 -0.046 0.000 0.965 201 D CA 1.504 55.483 54.000 -0.034 0.000 0.879 201 D CB -0.500 40.285 40.800 -0.025 0.000 0.921 201 D HN 0.725 nan 8.370 nan 0.000 0.510 202 A N 0.669 123.464 122.820 -0.042 0.000 2.066 202 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 202 A C 1.191 178.746 177.584 -0.047 0.000 1.157 202 A CA 0.277 52.289 52.037 -0.042 0.000 0.670 202 A CB -0.082 18.903 19.000 -0.026 0.000 0.804 202 A HN 0.088 nan 8.150 nan 0.000 0.453 203 I N 1.027 121.568 120.570 -0.050 0.000 2.278 203 I HA 0.099 4.269 4.170 -0.000 0.000 0.296 203 I C 1.026 177.052 176.117 -0.150 0.000 1.121 203 I CA 0.300 61.578 61.300 -0.038 0.000 1.267 203 I CB 0.112 38.069 38.000 -0.073 0.000 1.447 203 I HN 0.479 nan 8.210 nan 0.000 0.509 204 E N 4.485 124.483 120.200 -0.336 0.000 2.170 204 E HA 0.032 4.382 4.350 -0.000 0.000 0.191 204 E C 0.994 177.233 176.600 -0.602 0.000 0.981 204 E CA 0.271 56.378 56.400 -0.488 0.000 0.830 204 E CB 0.470 29.767 29.700 -0.671 0.000 0.775 204 E HN 0.771 nan 8.360 nan 0.000 0.470 205 G N 2.408 110.713 108.800 -0.825 0.000 3.712 205 G HA2 0.237 4.197 3.960 -0.000 0.000 0.327 205 G HA3 0.237 4.197 3.960 -0.000 0.000 0.327 205 G C -2.882 171.831 174.900 -0.313 0.000 1.566 205 G CA -0.986 43.683 45.100 -0.719 0.000 0.953 205 G HN -0.012 nan 8.290 nan 0.000 0.488 206 P HA 0.254 nan 4.420 nan 0.000 0.274 206 P C -0.921 176.630 177.300 0.418 0.000 1.470 206 P CA -0.387 62.814 63.100 0.169 0.000 1.001 206 P CB 0.742 32.484 31.700 0.071 0.000 1.332 207 W N 2.934 124.269 121.300 0.059 0.000 2.719 207 W HA 0.327 4.987 4.660 -0.000 0.000 0.352 207 W C 0.476 177.002 176.519 0.012 0.000 1.085 207 W CA -0.520 56.840 57.345 0.025 0.000 1.187 207 W CB 1.010 30.487 29.460 0.028 0.000 1.417 207 W HN 0.296 nan 8.180 nan 0.000 0.557 208 D N -0.876 119.644 120.400 0.200 0.000 2.616 208 D HA 0.797 5.437 4.640 -0.000 0.000 0.260 208 D C 0.209 176.558 176.300 0.081 0.000 1.158 208 D CA -0.502 53.558 54.000 0.101 0.000 1.085 208 D CB 1.465 42.278 40.800 0.022 0.000 1.222 208 D HN 0.436 nan 8.370 nan 0.000 0.626 209 G N -1.734 107.083 108.800 0.029 0.000 3.111 209 G HA2 0.307 4.267 3.960 -0.000 0.000 0.158 209 G HA3 0.307 4.267 3.960 -0.000 0.000 0.158 209 G C -0.804 174.062 174.900 -0.057 0.000 1.161 209 G CA -0.479 44.612 45.100 -0.015 0.000 1.025 209 G HN 0.472 nan 8.290 nan 0.000 0.619 210 E N 0.469 120.615 120.200 -0.090 0.000 2.403 210 E HA -0.221 4.129 4.350 -0.000 0.000 0.241 210 E C 0.197 176.732 176.600 -0.107 0.000 1.201 210 E CA 1.258 57.602 56.400 -0.094 0.000 0.721 210 E CB -0.977 28.710 29.700 -0.021 0.000 1.245 210 E HN 0.693 nan 8.360 nan 0.000 0.392 211 E N -3.380 116.699 120.200 -0.203 0.000 3.170 211 E HA -0.298 4.052 4.350 -0.000 0.000 0.284 211 E C 0.522 177.092 176.600 -0.050 0.000 0.967 211 E CA 1.992 58.289 56.400 -0.171 0.000 0.919 211 E CB -1.814 27.811 29.700 -0.124 0.000 1.469 211 E HN 0.997 nan 8.360 nan 0.000 0.444 212 A N -1.586 121.219 122.820 -0.024 0.000 3.168 212 A HA -0.296 4.024 4.320 -0.000 0.000 0.249 212 A C 1.407 179.070 177.584 0.132 0.000 1.280 212 A CA 0.993 53.054 52.037 0.040 0.000 1.128 212 A CB -2.236 16.794 19.000 0.050 0.000 1.160 212 A HN 0.506 nan 8.150 nan 0.000 0.900 213 I N 0.941 121.570 120.570 0.099 0.000 2.248 213 I HA -0.143 4.027 4.170 -0.000 0.000 0.248 213 I C 2.085 178.318 176.117 0.192 0.000 1.107 213 I CA 3.068 64.446 61.300 0.130 0.000 1.373 213 I CB -0.064 37.984 38.000 0.081 0.000 1.055 213 I HN 0.896 nan 8.210 nan 0.000 0.418 214 T N -2.538 112.089 114.554 0.122 0.000 3.215 214 T HA 0.148 4.498 4.350 -0.000 0.000 0.271 214 T C 1.423 176.114 174.700 -0.015 0.000 1.012 214 T CA -0.083 62.063 62.100 0.076 0.000 0.899 214 T CB -0.346 68.535 68.868 0.021 0.000 1.089 214 T HN 0.183 nan 8.240 nan 0.000 0.552 215 L N 1.100 122.340 121.223 0.027 0.000 2.013 215 L HA 0.052 4.392 4.340 -0.000 0.000 0.212 215 L C 2.053 178.712 176.870 -0.353 0.000 1.073 215 L CA 1.687 56.456 54.840 -0.118 0.000 0.753 215 L CB -0.961 41.096 42.059 -0.005 0.000 0.890 215 L HN 0.401 nan 8.230 nan 0.000 0.432 216 L N -0.365 120.452 121.223 -0.676 0.000 2.046 216 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 216 L C 2.500 179.165 176.870 -0.340 0.000 1.077 216 L CA 2.020 56.455 54.840 -0.676 0.000 0.747 216 L CB -1.032 40.387 42.059 -1.066 0.000 0.896 216 L HN 0.310 nan 8.230 nan 0.000 0.432 217 A N -0.933 121.721 122.820 -0.276 0.000 1.933 217 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 217 A C 1.952 179.432 177.584 -0.173 0.000 1.175 217 A CA 1.863 53.788 52.037 -0.187 0.000 0.628 217 A CB -0.716 18.205 19.000 -0.131 0.000 0.814 217 A HN 0.519 nan 8.150 nan 0.000 0.444 218 D N -0.014 120.264 120.400 -0.204 0.000 2.183 218 D HA -0.054 4.586 4.640 -0.000 0.000 0.203 218 D C 1.925 178.054 176.300 -0.286 0.000 0.969 218 D CA 0.726 54.618 54.000 -0.179 0.000 0.842 218 D CB -0.299 40.422 40.800 -0.132 0.000 0.957 218 D HN 0.454 nan 8.370 nan 0.000 0.484 219 L N 0.413 121.323 121.223 -0.522 0.000 2.046 219 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 219 L C 2.443 178.741 176.870 -0.953 0.000 1.077 219 L CA 1.104 55.367 54.840 -0.961 0.000 0.747 219 L CB -0.508 40.543 42.059 -1.680 0.000 0.896 219 L HN 0.207 nan 8.230 nan 0.000 0.432 220 H N -0.448 118.113 119.070 -0.848 0.000 2.421 220 H HA -0.093 4.463 4.556 -0.000 0.000 0.298 220 H C 2.128 177.386 175.328 -0.116 0.000 1.087 220 H CA 1.260 57.108 56.048 -0.334 0.000 1.330 220 H CB 0.185 29.835 29.762 -0.186 0.000 1.388 220 H HN 0.384 nan 8.280 nan 0.000 0.526 221 A N 0.038 122.833 122.820 -0.043 0.000 2.206 221 A HA 0.216 4.536 4.320 -0.000 0.000 0.211 221 A C 1.969 179.544 177.584 -0.016 0.000 1.158 221 A CA 1.062 53.088 52.037 -0.018 0.000 0.761 221 A CB -0.054 18.921 19.000 -0.042 0.000 0.801 221 A HN 0.529 nan 8.150 nan 0.000 0.473 222 G N -2.279 106.498 108.800 -0.037 0.000 2.154 222 G HA2 0.185 4.145 3.960 -0.000 0.000 0.186 222 G HA3 0.185 4.145 3.960 -0.000 0.000 0.186 222 G C 0.379 175.279 174.900 -0.001 0.000 1.000 222 G CA 0.072 45.178 45.100 0.011 0.000 0.664 222 G HN 1.498 nan 8.290 nan 0.000 0.513 223 A N 0.349 123.134 122.820 -0.058 0.000 2.531 223 A HA 0.587 4.907 4.320 -0.000 0.000 0.236 223 A C 1.479 179.062 177.584 -0.002 0.000 1.062 223 A CA 1.787 53.818 52.037 -0.010 0.000 0.760 223 A CB 0.232 19.189 19.000 -0.071 0.000 0.995 223 A HN 1.607 nan 8.150 nan 0.000 0.501 224 T N -0.813 113.795 114.554 0.091 0.000 3.091 224 T HA 0.543 4.893 4.350 -0.000 0.000 0.277 224 T C 0.464 175.062 174.700 -0.169 0.000 0.996 224 T CA 0.395 62.531 62.100 0.061 0.000 0.897 224 T CB 0.007 68.988 68.868 0.187 0.000 1.109 224 T HN 1.709 nan 8.240 nan 0.000 0.534 225 G N 0.013 108.523 108.800 -0.482 0.000 2.646 225 G HA2 0.671 4.631 3.960 -0.000 0.000 0.291 225 G HA3 0.671 4.631 3.960 -0.000 0.000 0.291 225 G C -2.005 172.460 174.900 -0.724 0.000 1.445 225 G CA -0.432 43.960 45.100 -1.180 0.000 0.814 225 G HN 0.623 nan 8.290 nan 0.000 0.495 226 A N 0.768 123.241 122.820 -0.578 0.000 2.408 226 A HA 0.736 5.056 4.320 -0.000 0.000 0.295 226 A C -0.465 177.035 177.584 -0.139 0.000 1.040 226 A CA -0.521 51.377 52.037 -0.232 0.000 0.707 226 A CB 1.143 20.033 19.000 -0.183 0.000 1.235 226 A HN 0.615 nan 8.150 nan 0.000 0.418 227 M N 3.415 123.008 119.600 -0.012 0.000 2.055 227 M HA 0.340 4.820 4.480 -0.000 0.000 0.347 227 M C 0.439 176.696 176.300 -0.072 0.000 1.123 227 M CA -0.247 55.069 55.300 0.026 0.000 1.035 227 M CB 1.253 33.935 32.600 0.137 0.000 1.484 227 M HN 0.874 nan 8.290 nan 0.000 0.428 228 T N 0.010 114.489 114.554 -0.125 0.000 2.870 228 T HA 0.790 5.140 4.350 -0.000 0.000 0.277 228 T C 0.596 175.148 174.700 -0.246 0.000 1.000 228 T CA -0.776 61.198 62.100 -0.209 0.000 0.982 228 T CB 1.312 70.034 68.868 -0.243 0.000 1.249 228 T HN 0.624 nan 8.240 nan 0.000 0.589 229 G N -1.178 107.438 108.800 -0.306 0.000 2.634 229 G HA2 0.443 4.403 3.960 -0.000 0.000 0.255 229 G HA3 0.443 4.403 3.960 -0.000 0.000 0.255 229 G C 0.904 175.674 174.900 -0.216 0.000 1.205 229 G CA -0.424 44.562 45.100 -0.190 0.000 0.884 229 G HN 1.089 nan 8.290 nan 0.000 0.549 230 G N -1.145 107.613 108.800 -0.070 0.000 3.088 230 G HA2 0.268 4.228 3.960 -0.000 0.000 0.217 230 G HA3 0.268 4.228 3.960 -0.000 0.000 0.217 230 G C 1.369 176.297 174.900 0.048 0.000 1.159 230 G CA 1.007 46.084 45.100 -0.039 0.000 0.760 230 G HN 0.879 nan 8.290 nan 0.000 0.550 231 G N 0.862 109.664 108.800 0.003 0.000 2.430 231 G HA2 0.156 4.116 3.960 -0.000 0.000 0.216 231 G HA3 0.156 4.116 3.960 -0.000 0.000 0.216 231 G C 0.666 175.811 174.900 0.408 0.000 1.146 231 G CA 0.827 46.062 45.100 0.225 0.000 0.793 231 G HN 0.680 nan 8.290 nan 0.000 0.537 232 F N -2.316 117.734 119.950 0.167 0.000 2.514 232 F HA 0.427 4.954 4.527 0.000 0.000 0.374 232 F C -2.199 173.542 175.800 -0.098 0.000 1.532 232 F CA -2.331 55.731 58.000 0.103 0.000 1.082 232 F CB 0.501 39.619 39.000 0.196 0.000 1.610 232 F HN -0.167 nan 8.300 nan 0.000 0.531 233 P HA -0.166 nan 4.420 nan 0.000 0.222 233 P C 1.125 178.285 177.300 -0.234 0.000 1.147 233 P CA 1.644 64.591 63.100 -0.256 0.000 0.790 233 P CB 0.175 31.710 31.700 -0.274 0.000 0.780 234 D N -0.400 119.891 120.400 -0.181 0.000 2.219 234 D HA -0.097 4.543 4.640 -0.000 0.000 0.205 234 D C 2.077 178.169 176.300 -0.346 0.000 0.970 234 D CA 1.419 55.313 54.000 -0.176 0.000 0.851 234 D CB -1.305 39.469 40.800 -0.044 0.000 0.943 234 D HN 0.190 nan 8.370 nan 0.000 0.488 235 G N 0.696 109.104 108.800 -0.652 0.000 2.453 235 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.215 235 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.215 235 G C 1.831 176.060 174.900 -1.119 0.000 1.147 235 G CA 0.164 44.213 45.100 -1.751 0.000 0.802 235 G HN 0.307 nan 8.290 nan 0.000 0.535 236 I N -0.490 119.766 120.570 -0.523 0.000 2.585 236 I HA 0.095 4.265 4.170 -0.000 0.000 0.254 236 I C 2.651 178.652 176.117 -0.193 0.000 1.129 236 I CA 0.123 61.259 61.300 -0.275 0.000 1.455 236 I CB -0.128 37.778 38.000 -0.157 0.000 1.111 236 I HN 0.033 nan 8.210 nan 0.000 0.433 237 R N 1.563 121.942 120.500 -0.203 0.000 2.117 237 R HA -0.165 4.175 4.340 -0.000 0.000 0.243 237 R C -0.613 175.635 176.300 -0.088 0.000 1.143 237 R CA 1.818 57.835 56.100 -0.139 0.000 0.968 237 R CB -1.037 29.176 30.300 -0.144 0.000 0.863 237 R HN 0.220 nan 8.270 nan 0.000 0.444 238 P HA -0.100 nan 4.420 nan 0.000 0.222 238 P C 0.892 178.207 177.300 0.025 0.000 1.147 238 P CA 1.132 64.218 63.100 -0.024 0.000 0.790 238 P CB -0.026 31.665 31.700 -0.015 0.000 0.780 239 I N -1.552 119.028 120.570 0.016 0.000 2.179 239 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 239 I C 1.995 178.172 176.117 0.099 0.000 1.088 239 I CA 1.391 62.742 61.300 0.084 0.000 1.357 239 I CB -0.751 37.306 38.000 0.094 0.000 1.051 239 I HN -0.110 nan 8.210 nan 0.000 0.409 240 L N 0.123 121.369 121.223 0.039 0.000 2.093 240 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 240 L C 2.564 179.497 176.870 0.106 0.000 1.085 240 L CA 1.355 56.230 54.840 0.058 0.000 0.755 240 L CB -0.662 41.383 42.059 -0.024 0.000 0.904 240 L HN 0.161 nan 8.230 nan 0.000 0.435 241 E N 0.120 120.357 120.200 0.061 0.000 2.077 241 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 241 E C 2.383 179.031 176.600 0.080 0.000 0.989 241 E CA 1.381 57.816 56.400 0.058 0.000 0.800 241 E CB -0.385 29.331 29.700 0.028 0.000 0.746 241 E HN 0.481 nan 8.360 nan 0.000 0.452 242 A N 1.494 124.376 122.820 0.104 0.000 1.933 242 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 242 A C 2.042 179.696 177.584 0.116 0.000 1.175 242 A CA 1.149 53.249 52.037 0.105 0.000 0.628 242 A CB -1.018 18.064 19.000 0.137 0.000 0.814 242 A HN 0.462 nan 8.150 nan 0.000 0.444 243 W N 0.661 121.980 121.300 0.032 0.000 2.355 243 W HA -0.141 4.519 4.660 -0.000 0.000 0.309 243 W C 2.351 178.896 176.519 0.044 0.000 1.206 243 W CA 1.831 59.193 57.345 0.029 0.000 1.284 243 W CB -0.334 29.083 29.460 -0.072 0.000 1.145 243 W HN 0.343 nan 8.180 nan 0.000 0.502 244 R N 0.520 121.106 120.500 0.143 0.000 2.105 244 R HA -0.186 4.154 4.340 -0.000 0.000 0.239 244 R C 2.019 178.304 176.300 -0.024 0.000 1.135 244 R CA 1.954 58.096 56.100 0.068 0.000 0.967 244 R CB -0.392 29.957 30.300 0.082 0.000 0.861 244 R HN 0.223 nan 8.270 nan 0.000 0.442 245 E N -1.254 118.929 120.200 -0.030 0.000 2.409 245 E HA -0.039 4.311 4.350 -0.000 0.000 0.198 245 E C 0.785 177.309 176.600 -0.127 0.000 1.024 245 E CA 0.568 56.934 56.400 -0.057 0.000 0.861 245 E CB 0.180 29.861 29.700 -0.031 0.000 0.788 245 E HN 0.607 nan 8.360 nan 0.000 0.521 246 G N 1.678 110.349 108.800 -0.215 0.000 2.137 246 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.237 246 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.237 246 G C 0.111 174.752 174.900 -0.432 0.000 1.002 246 G CA -0.142 44.737 45.100 -0.368 0.000 0.702 246 G HN 0.171 nan 8.290 nan 0.000 0.515 247 R N 0.174 120.533 120.500 -0.236 0.000 2.937 247 R HA 0.353 4.693 4.340 -0.000 0.000 0.264 247 R C 0.954 177.249 176.300 -0.008 0.000 1.334 247 R CA -0.715 55.303 56.100 -0.138 0.000 1.516 247 R CB 0.125 30.403 30.300 -0.038 0.000 1.187 247 R HN 0.344 nan 8.270 nan 0.000 0.609 248 H N 0.323 119.268 119.070 -0.208 0.000 2.457 248 H HA -0.064 4.492 4.556 -0.000 0.000 0.294 248 H C 1.007 176.417 175.328 0.138 0.000 1.064 248 H CA 0.865 56.854 56.048 -0.098 0.000 1.330 248 H CB 0.345 29.993 29.762 -0.190 0.000 1.395 248 H HN 0.393 nan 8.280 nan 0.000 0.541 249 D N 0.324 120.841 120.400 0.195 0.000 2.144 249 D HA -0.125 4.515 4.640 -0.000 0.000 0.200 249 D C 1.851 178.298 176.300 0.246 0.000 0.978 249 D CA 1.106 55.229 54.000 0.205 0.000 0.833 249 D CB -0.149 40.714 40.800 0.105 0.000 0.961 249 D HN 0.423 nan 8.370 nan 0.000 0.470 250 D N 0.271 120.782 120.400 0.184 0.000 2.149 250 D HA -0.020 4.620 4.640 -0.000 0.000 0.201 250 D C 1.991 178.426 176.300 0.224 0.000 0.972 250 D CA 1.156 55.261 54.000 0.175 0.000 0.835 250 D CB 0.097 40.966 40.800 0.115 0.000 0.966 250 D HN 0.042 nan 8.370 nan 0.000 0.476 251 A N -0.380 122.597 122.820 0.261 0.000 1.883 251 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 251 A C 2.204 179.978 177.584 0.316 0.000 1.186 251 A CA 1.617 53.834 52.037 0.299 0.000 0.624 251 A CB -1.395 17.858 19.000 0.421 0.000 0.822 251 A HN 0.534 nan 8.150 nan 0.000 0.444 252 Y N 0.571 121.027 120.300 0.260 0.000 2.128 252 Y HA -0.151 4.399 4.550 -0.000 0.000 0.284 252 Y C 2.676 178.739 175.900 0.272 0.000 1.154 252 Y CA 1.667 59.930 58.100 0.272 0.000 1.149 252 Y CB -0.512 38.088 38.460 0.233 0.000 0.976 252 Y HN 0.315 nan 8.280 nan 0.000 0.505 253 A N 0.624 123.646 122.820 0.337 0.000 1.908 253 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 253 A C 2.263 179.932 177.584 0.142 0.000 1.181 253 A CA 1.957 54.126 52.037 0.219 0.000 0.627 253 A CB -0.634 18.502 19.000 0.227 0.000 0.818 253 A HN 0.580 nan 8.150 nan 0.000 0.445 254 R N -2.354 118.264 120.500 0.197 0.000 2.075 254 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 254 R C 2.181 178.660 176.300 0.298 0.000 1.126 254 R CA 1.570 57.823 56.100 0.254 0.000 0.963 254 R CB -0.532 29.901 30.300 0.222 0.000 0.858 254 R HN 0.672 nan 8.270 nan 0.000 0.435 255 Y N 1.992 122.330 120.300 0.064 0.000 2.181 255 Y HA -0.273 4.277 4.550 -0.000 0.000 0.288 255 Y C 2.572 178.445 175.900 -0.045 0.000 1.146 255 Y CA 1.800 59.910 58.100 0.018 0.000 1.164 255 Y CB -0.228 38.200 38.460 -0.053 0.000 0.982 255 Y HN 0.069 nan 8.280 nan 0.000 0.515 256 Q N -0.098 119.589 119.800 -0.189 0.000 2.084 256 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 256 Q C 2.294 178.199 176.000 -0.158 0.000 0.978 256 Q CA 1.630 57.263 55.803 -0.282 0.000 0.844 256 Q CB -0.346 28.211 28.738 -0.301 0.000 0.898 256 Q HN 0.579 nan 8.270 nan 0.000 0.426 257 A N -0.283 122.506 122.820 -0.051 0.000 1.898 257 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 257 A C 1.382 178.806 177.584 -0.267 0.000 1.181 257 A CA 1.220 53.177 52.037 -0.133 0.000 0.620 257 A CB -0.894 18.050 19.000 -0.094 0.000 0.819 257 A HN 0.634 nan 8.150 nan 0.000 0.442 258 W N -1.283 119.938 121.300 -0.131 0.000 2.942 258 W HA 0.235 4.895 4.660 0.000 0.000 0.263 258 W C 1.656 178.063 176.519 -0.188 0.000 1.296 258 W CA 0.082 57.343 57.345 -0.140 0.000 1.504 258 W CB -0.192 29.244 29.460 -0.039 0.000 1.096 258 W HN 0.296 nan 8.180 nan 0.000 0.639 259 L N 1.898 123.047 121.223 -0.123 0.000 2.051 259 L HA -0.155 4.185 4.340 -0.000 0.000 0.214 259 L C -0.673 176.131 176.870 -0.110 0.000 1.076 259 L CA 2.252 56.949 54.840 -0.239 0.000 0.758 259 L CB -1.676 40.086 42.059 -0.496 0.000 0.890 259 L HN -0.199 nan 8.230 nan 0.000 0.433 260 P HA -0.155 nan 4.420 nan 0.000 0.218 260 P C 1.881 179.159 177.300 -0.037 0.000 1.149 260 P CA 0.996 64.053 63.100 -0.072 0.000 0.817 260 P CB -0.017 31.615 31.700 -0.113 0.000 0.785 261 L N -0.850 120.313 121.223 -0.099 0.000 2.056 261 L HA -0.073 4.267 4.340 -0.000 0.000 0.207 261 L C 2.175 179.113 176.870 0.112 0.000 1.078 261 L CA 1.641 56.409 54.840 -0.120 0.000 0.749 261 L CB -1.107 40.688 42.059 -0.440 0.000 0.901 261 L HN -0.135 nan 8.230 nan 0.000 0.433 262 I N -0.370 120.325 120.570 0.208 0.000 2.226 262 I HA -0.321 3.849 4.170 -0.000 0.000 0.245 262 I C 2.388 178.633 176.117 0.213 0.000 1.100 262 I CA 1.617 63.128 61.300 0.351 0.000 1.374 262 I CB -0.465 37.685 38.000 0.250 0.000 1.057 262 I HN 0.483 nan 8.210 nan 0.000 0.413 263 N N 0.147 118.922 118.700 0.125 0.000 2.188 263 N HA -0.260 4.480 4.740 -0.000 0.000 0.184 263 N C 2.040 177.630 175.510 0.134 0.000 1.018 263 N CA 1.278 54.387 53.050 0.099 0.000 0.858 263 N CB -0.010 38.507 38.487 0.050 0.000 0.989 263 N HN 0.382 nan 8.380 nan 0.000 0.426 264 H N 0.812 119.920 119.070 0.063 0.000 2.423 264 H HA -0.022 4.534 4.556 -0.000 0.000 0.297 264 H C 2.097 177.495 175.328 0.118 0.000 1.075 264 H CA 1.769 57.857 56.048 0.066 0.000 1.342 264 H CB 0.064 29.849 29.762 0.039 0.000 1.395 264 H HN 0.349 nan 8.280 nan 0.000 0.530 265 E N -0.120 120.250 120.200 0.283 0.000 2.028 265 E HA -0.225 4.125 4.350 -0.000 0.000 0.191 265 E C 2.227 178.953 176.600 0.211 0.000 0.988 265 E CA 1.061 57.633 56.400 0.288 0.000 0.799 265 E CB -0.186 29.753 29.700 0.398 0.000 0.755 265 E HN 0.516 nan 8.360 nan 0.000 0.447 266 N N -0.074 118.732 118.700 0.176 0.000 2.149 266 N HA -0.174 4.566 4.740 -0.000 0.000 0.188 266 N C 1.648 177.211 175.510 0.089 0.000 1.019 266 N CA 1.031 54.162 53.050 0.134 0.000 0.857 266 N CB 0.121 38.667 38.487 0.098 0.000 0.997 266 N HN 0.120 nan 8.380 nan 0.000 0.426 267 R N -0.813 119.707 120.500 0.033 0.000 2.279 267 R HA 0.180 4.520 4.340 -0.000 0.000 0.195 267 R C 1.299 177.554 176.300 -0.075 0.000 0.905 267 R CA 0.245 56.338 56.100 -0.013 0.000 1.044 267 R CB 0.355 30.645 30.300 -0.015 0.000 1.056 267 R HN 0.334 nan 8.270 nan 0.000 0.535 268 Q N -0.531 119.166 119.800 -0.171 0.000 2.644 268 Q HA 0.131 4.471 4.340 -0.000 0.000 0.220 268 Q C 1.863 177.768 176.000 -0.158 0.000 0.866 268 Q CA 1.335 56.973 55.803 -0.276 0.000 0.915 268 Q CB 0.036 28.320 28.738 -0.757 0.000 1.191 268 Q HN 0.191 nan 8.270 nan 0.000 0.641 269 S N -0.188 115.438 115.700 -0.123 0.000 2.486 269 S HA 0.309 4.779 4.470 -0.000 0.000 0.220 269 S C 1.320 175.958 174.600 0.064 0.000 1.011 269 S CA 0.648 58.865 58.200 0.029 0.000 0.921 269 S CB 0.143 63.432 63.200 0.148 0.000 0.785 269 S HN 0.540 nan 8.310 nan 0.000 0.517 270 G N 2.634 111.497 108.800 0.104 0.000 2.596 270 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.295 270 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.295 270 G C 0.651 175.531 174.900 -0.033 0.000 1.240 270 G CA 0.264 45.438 45.100 0.124 0.000 0.985 270 G HN 0.468 nan 8.290 nan 0.000 0.555 271 I N 0.572 120.862 120.570 -0.467 0.000 2.145 271 I HA -0.203 3.967 4.170 -0.000 0.000 0.244 271 I C 2.732 178.660 176.117 -0.315 0.000 1.075 271 I CA 1.853 62.606 61.300 -0.913 0.000 1.332 271 I CB -0.393 37.227 38.000 -0.632 0.000 1.033 271 I HN 0.360 nan 8.210 nan 0.000 0.410 272 L N 0.095 121.246 121.223 -0.121 0.000 2.549 272 L HA -0.128 4.212 4.340 -0.000 0.000 0.229 272 L C 2.378 179.277 176.870 0.047 0.000 1.158 272 L CA 0.553 55.381 54.840 -0.020 0.000 0.842 272 L CB -0.873 41.193 42.059 0.012 0.000 0.952 272 L HN 0.304 nan 8.230 nan 0.000 0.452 273 T N 0.392 115.003 114.554 0.094 0.000 2.607 273 T HA -0.285 4.065 4.350 -0.000 0.000 0.267 273 T C 2.097 176.902 174.700 0.175 0.000 1.049 273 T CA 1.751 63.962 62.100 0.185 0.000 1.162 273 T CB -0.217 68.824 68.868 0.288 0.000 0.863 273 T HN 0.518 nan 8.240 nan 0.000 0.424 274 A N 1.440 124.360 122.820 0.166 0.000 1.940 274 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 274 A C 2.254 179.874 177.584 0.059 0.000 1.176 274 A CA 1.904 54.017 52.037 0.127 0.000 0.631 274 A CB -0.474 18.595 19.000 0.115 0.000 0.814 274 A HN 0.514 nan 8.150 nan 0.000 0.446 275 K N -0.500 119.922 120.400 0.037 0.000 2.103 275 K HA 0.080 4.400 4.320 -0.000 0.000 0.204 275 K C 2.341 178.948 176.600 0.012 0.000 1.052 275 K CA 0.907 57.197 56.287 0.005 0.000 0.945 275 K CB -0.292 32.208 32.500 0.000 0.000 0.722 275 K HN 0.425 nan 8.250 nan 0.000 0.443 276 A N 1.518 124.361 122.820 0.039 0.000 1.883 276 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 276 A C 2.125 179.725 177.584 0.027 0.000 1.186 276 A CA 1.378 53.439 52.037 0.041 0.000 0.624 276 A CB -0.735 18.304 19.000 0.066 0.000 0.822 276 A HN 0.154 nan 8.150 nan 0.000 0.444 277 L N -1.283 119.965 121.223 0.042 0.000 2.093 277 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 277 L C 2.851 179.681 176.870 -0.066 0.000 1.085 277 L CA 1.447 56.298 54.840 0.019 0.000 0.755 277 L CB -0.474 41.636 42.059 0.085 0.000 0.904 277 L HN 0.413 nan 8.230 nan 0.000 0.435 278 M N -1.181 118.356 119.600 -0.105 0.000 2.175 278 M HA -0.168 4.312 4.480 -0.000 0.000 0.264 278 M C 2.465 178.705 176.300 -0.101 0.000 1.063 278 M CA 1.389 56.574 55.300 -0.190 0.000 1.119 278 M CB -0.367 32.115 32.600 -0.196 0.000 1.377 278 M HN 0.154 nan 8.290 nan 0.000 0.415 279 R N 0.607 121.079 120.500 -0.046 0.000 2.066 279 R HA -0.173 4.167 4.340 -0.000 0.000 0.232 279 R C 1.956 178.251 176.300 -0.008 0.000 1.131 279 R CA 1.776 57.866 56.100 -0.016 0.000 0.955 279 R CB -0.205 30.096 30.300 0.001 0.000 0.851 279 R HN 0.237 nan 8.270 nan 0.000 0.432 280 E N -0.375 119.820 120.200 -0.008 0.000 2.097 280 E HA -0.137 4.213 4.350 -0.000 0.000 0.196 280 E C 1.573 178.173 176.600 0.001 0.000 1.000 280 E CA 1.867 58.267 56.400 -0.000 0.000 0.804 280 E CB -0.630 29.071 29.700 0.001 0.000 0.740 280 E HN 0.491 nan 8.360 nan 0.000 0.454 281 G N -1.380 107.410 108.800 -0.017 0.000 2.848 281 G HA2 0.093 4.053 3.960 -0.000 0.000 0.208 281 G HA3 0.093 4.053 3.960 -0.000 0.000 0.208 281 G C 1.090 176.019 174.900 0.049 0.000 1.152 281 G CA 0.411 45.513 45.100 0.003 0.000 0.789 281 G HN 0.628 nan 8.290 nan 0.000 0.531 282 G N -0.823 108.000 108.800 0.037 0.000 2.153 282 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.252 282 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.252 282 G C 1.152 176.123 174.900 0.118 0.000 0.994 282 G CA 0.603 45.745 45.100 0.068 0.000 0.698 282 G HN 0.506 nan 8.290 nan 0.000 0.521 283 V N 0.564 120.521 119.914 0.072 0.000 2.307 283 V HA 0.118 4.238 4.120 -0.000 0.000 0.245 283 V C 1.752 177.867 176.094 0.036 0.000 1.045 283 V CA 2.115 64.454 62.300 0.065 0.000 1.024 283 V CB -0.463 31.201 31.823 -0.265 0.000 0.651 283 V HN 0.811 nan 8.190 nan 0.000 0.449 284 I N -3.380 117.184 120.570 -0.011 0.000 2.957 284 I HA 0.779 4.949 4.170 -0.000 0.000 0.310 284 I C 1.022 177.145 176.117 0.010 0.000 1.063 284 I CA -0.537 60.760 61.300 -0.005 0.000 1.033 284 I CB 1.972 39.950 38.000 -0.038 0.000 1.230 284 I HN -0.075 nan 8.210 nan 0.000 0.447 285 A N 2.562 125.390 122.820 0.014 0.000 1.970 285 A HA 0.130 4.450 4.320 -0.000 0.000 0.216 285 A C 1.224 178.822 177.584 0.023 0.000 1.170 285 A CA 1.239 53.289 52.037 0.022 0.000 0.645 285 A CB -0.273 18.741 19.000 0.024 0.000 0.816 285 A HN 0.768 nan 8.150 nan 0.000 0.447 286 S N -0.974 114.741 115.700 0.025 0.000 2.548 286 S HA 0.364 4.834 4.470 -0.000 0.000 0.276 286 S C -0.008 174.615 174.600 0.039 0.000 1.129 286 S CA -0.002 58.221 58.200 0.038 0.000 0.931 286 S CB 1.311 64.547 63.200 0.061 0.000 1.068 286 S HN 0.454 nan 8.310 nan 0.000 0.480 287 E N 3.099 123.323 120.200 0.039 0.000 2.463 287 E HA 0.206 4.556 4.350 -0.000 0.000 0.193 287 E C 0.068 176.707 176.600 0.066 0.000 1.041 287 E CA -0.493 55.931 56.400 0.039 0.000 0.879 287 E CB 0.213 29.931 29.700 0.030 0.000 0.997 287 E HN 0.429 nan 8.360 nan 0.000 0.478 288 R N 2.444 122.998 120.500 0.090 0.000 2.594 288 R HA 0.210 4.549 4.340 -0.000 0.000 0.272 288 R C -2.041 174.362 176.300 0.172 0.000 1.074 288 R CA -1.430 54.729 56.100 0.098 0.000 1.105 288 R CB 0.175 30.518 30.300 0.072 0.000 1.008 288 R HN 0.179 nan 8.270 nan 0.000 0.472 289 P HA 0.150 nan 4.420 nan 0.000 0.293 289 P C -0.850 176.402 177.300 -0.080 0.000 1.304 289 P CA -0.489 62.679 63.100 0.113 0.000 0.767 289 P CB 0.752 32.481 31.700 0.049 0.000 1.247 290 R N -0.673 119.649 120.500 -0.297 0.000 2.357 290 R HA 0.234 4.574 4.340 -0.000 0.000 0.296 290 R C 0.555 176.784 176.300 -0.119 0.000 1.052 290 R CA -0.492 55.387 56.100 -0.369 0.000 0.988 290 R CB -0.142 29.809 30.300 -0.581 0.000 1.025 290 R HN 0.614 nan 8.270 nan 0.000 0.469 291 H N 3.848 122.839 119.070 -0.132 0.000 3.001 291 H HA 0.010 4.566 4.556 -0.000 0.000 0.334 291 H C -1.330 173.969 175.328 -0.049 0.000 1.034 291 H CA -0.668 55.339 56.048 -0.068 0.000 1.420 291 H CB 0.925 30.651 29.762 -0.060 0.000 1.405 291 H HN 0.390 nan 8.280 nan 0.000 0.593 292 P HA 0.068 nan 4.420 nan 0.000 0.266 292 P C -0.078 176.978 177.300 -0.407 0.000 1.381 292 P CA -0.136 62.425 63.100 -0.898 0.000 0.940 292 P CB 0.026 31.401 31.700 -0.542 0.000 1.435 293 M N 2.920 122.417 119.600 -0.172 0.000 2.252 293 M HA 0.204 4.684 4.480 -0.000 0.000 0.348 293 M C -2.258 173.994 176.300 -0.081 0.000 1.334 293 M CA -1.327 53.937 55.300 -0.059 0.000 1.071 293 M CB 0.517 33.145 32.600 0.046 0.000 1.763 293 M HN -0.176 nan 8.290 nan 0.000 0.452 294 P HA 0.184 nan 4.420 nan 0.000 0.276 294 P C -1.150 176.130 177.300 -0.033 0.000 1.244 294 P CA -0.211 62.855 63.100 -0.056 0.000 0.801 294 P CB 0.536 32.217 31.700 -0.032 0.000 1.006 295 E N 0.764 120.931 120.200 -0.055 0.000 2.374 295 E HA 0.194 4.544 4.350 -0.000 0.000 0.260 295 E C 0.290 176.862 176.600 -0.047 0.000 1.101 295 E CA -0.561 55.815 56.400 -0.039 0.000 0.907 295 E CB 0.434 30.105 29.700 -0.047 0.000 1.014 295 E HN 0.397 nan 8.360 nan 0.000 0.427 296 L N 2.753 123.980 121.223 0.006 0.000 2.490 296 L HA -0.012 4.328 4.340 -0.000 0.000 0.274 296 L C 1.150 178.038 176.870 0.031 0.000 1.201 296 L CA 0.246 55.123 54.840 0.061 0.000 0.869 296 L CB -0.010 42.097 42.059 0.079 0.000 1.123 296 L HN 0.272 nan 8.230 nan 0.000 0.484 297 H N 3.753 122.839 119.070 0.027 0.000 2.790 297 H HA 0.015 4.571 4.556 -0.000 0.000 0.358 297 H C -1.508 173.841 175.328 0.035 0.000 1.103 297 H CA -1.277 54.787 56.048 0.027 0.000 1.426 297 H CB 0.872 30.647 29.762 0.022 0.000 1.424 297 H HN 0.416 nan 8.280 nan 0.000 0.599 298 P HA -0.157 nan 4.420 nan 0.000 0.215 298 P C 1.182 178.536 177.300 0.090 0.000 1.153 298 P CA 1.193 64.342 63.100 0.081 0.000 0.853 298 P CB 0.291 32.024 31.700 0.056 0.000 0.788 299 D N -1.670 118.790 120.400 0.100 0.000 2.149 299 D HA -0.096 4.544 4.640 -0.000 0.000 0.201 299 D C 1.757 178.123 176.300 0.111 0.000 0.972 299 D CA 1.206 55.255 54.000 0.081 0.000 0.835 299 D CB -0.688 40.150 40.800 0.063 0.000 0.966 299 D HN 0.004 nan 8.370 nan 0.000 0.476 300 T N 0.027 114.666 114.554 0.142 0.000 2.665 300 T HA -0.207 4.143 4.350 -0.000 0.000 0.268 300 T C 1.959 176.806 174.700 0.244 0.000 1.035 300 T CA 1.296 63.517 62.100 0.202 0.000 1.151 300 T CB -0.114 68.840 68.868 0.144 0.000 0.862 300 T HN 0.174 nan 8.240 nan 0.000 0.438 301 R N 0.630 121.224 120.500 0.155 0.000 2.075 301 R HA 0.014 4.354 4.340 -0.000 0.000 0.232 301 R C 2.641 178.979 176.300 0.064 0.000 1.126 301 R CA 1.301 57.471 56.100 0.116 0.000 0.963 301 R CB -0.431 29.918 30.300 0.082 0.000 0.858 301 R HN 0.374 nan 8.270 nan 0.000 0.435 302 A N 1.138 123.987 122.820 0.048 0.000 1.902 302 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 302 A C 1.898 179.464 177.584 -0.029 0.000 1.181 302 A CA 1.638 53.682 52.037 0.010 0.000 0.623 302 A CB -0.431 18.578 19.000 0.016 0.000 0.818 302 A HN 0.498 nan 8.150 nan 0.000 0.443 303 E N -0.831 119.351 120.200 -0.030 0.000 2.110 303 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 303 E C 1.927 178.311 176.600 -0.359 0.000 0.988 303 E CA 1.149 57.460 56.400 -0.149 0.000 0.804 303 E CB -0.231 29.426 29.700 -0.073 0.000 0.745 303 E HN 0.546 nan 8.360 nan 0.000 0.458 304 L N 0.781 121.819 121.223 -0.308 0.000 2.017 304 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 304 L C 1.939 178.708 176.870 -0.168 0.000 1.073 304 L CA 1.606 56.261 54.840 -0.308 0.000 0.745 304 L CB -0.239 41.844 42.059 0.041 0.000 0.894 304 L HN 0.106 nan 8.230 nan 0.000 0.432 305 L N -0.615 120.554 121.223 -0.091 0.000 2.156 305 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 305 L C 2.689 179.501 176.870 -0.096 0.000 1.095 305 L CA 0.919 55.719 54.840 -0.066 0.000 0.770 305 L CB -0.968 41.072 42.059 -0.031 0.000 0.914 305 L HN 0.387 nan 8.230 nan 0.000 0.439 306 A N 0.569 123.322 122.820 -0.112 0.000 1.902 306 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 306 A C 2.208 179.700 177.584 -0.153 0.000 1.181 306 A CA 1.530 53.498 52.037 -0.116 0.000 0.623 306 A CB -0.575 18.363 19.000 -0.103 0.000 0.818 306 A HN 0.342 nan 8.150 nan 0.000 0.443 307 I N -0.414 120.034 120.570 -0.204 0.000 2.202 307 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 307 I C 2.984 178.949 176.117 -0.254 0.000 1.091 307 I CA 0.943 62.101 61.300 -0.236 0.000 1.368 307 I CB -0.385 37.449 38.000 -0.277 0.000 1.058 307 I HN 0.349 nan 8.210 nan 0.000 0.410 308 A N 0.911 123.598 122.820 -0.221 0.000 1.940 308 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 308 A C 2.351 179.832 177.584 -0.173 0.000 1.176 308 A CA 1.633 53.547 52.037 -0.204 0.000 0.631 308 A CB -0.632 18.306 19.000 -0.103 0.000 0.814 308 A HN 0.342 nan 8.150 nan 0.000 0.446 309 R N -0.966 119.455 120.500 -0.133 0.000 2.237 309 R HA 0.006 4.346 4.340 -0.000 0.000 0.219 309 R C 2.092 178.314 176.300 -0.130 0.000 1.080 309 R CA 0.886 56.926 56.100 -0.100 0.000 0.995 309 R CB -0.166 30.090 30.300 -0.072 0.000 0.875 309 R HN 0.489 nan 8.270 nan 0.000 0.462 310 R N -0.040 120.351 120.500 -0.181 0.000 2.235 310 R HA 0.012 4.352 4.340 -0.000 0.000 0.213 310 R C 1.361 177.499 176.300 -0.270 0.000 1.059 310 R CA 0.748 56.729 56.100 -0.200 0.000 0.997 310 R CB 0.173 30.346 30.300 -0.212 0.000 0.884 310 R HN 0.193 nan 8.270 nan 0.000 0.462 311 L N -0.537 120.475 121.223 -0.352 0.000 2.731 311 L HA 0.128 4.468 4.340 -0.000 0.000 0.240 311 L C -0.143 176.579 176.870 -0.247 0.000 1.120 311 L CA -0.198 54.316 54.840 -0.542 0.000 0.913 311 L CB 0.410 41.764 42.059 -1.174 0.000 1.213 311 L HN 0.054 nan 8.230 nan 0.000 0.515 312 D N 0.997 121.340 120.400 -0.095 0.000 2.697 312 D HA -0.125 4.515 4.640 -0.000 0.000 0.235 312 D C -2.069 174.341 176.300 0.183 0.000 1.167 312 D CA 0.065 54.091 54.000 0.042 0.000 0.656 312 D CB -0.054 40.774 40.800 0.047 0.000 1.025 312 D HN 0.158 nan 8.370 nan 0.000 0.419 313 P HA 0.066 nan 4.420 nan 0.000 0.276 313 P C 1.182 178.672 177.300 0.315 0.000 1.244 313 P CA -0.713 62.636 63.100 0.416 0.000 0.801 313 P CB 1.003 32.976 31.700 0.455 0.000 1.006 314 L N 3.487 124.930 121.223 0.366 0.000 2.131 314 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 314 L C 2.287 179.399 176.870 0.403 0.000 1.092 314 L CA 1.573 56.652 54.840 0.400 0.000 0.759 314 L CB -1.141 41.181 42.059 0.437 0.000 0.903 314 L HN 0.206 nan 8.230 nan 0.000 0.435 315 V N -0.450 119.645 119.914 0.302 0.000 2.688 315 V HA -0.224 3.896 4.120 -0.000 0.000 0.256 315 V C 2.082 178.137 176.094 -0.065 0.000 1.084 315 V CA 1.848 64.010 62.300 -0.229 0.000 1.103 315 V CB -0.288 31.298 31.823 -0.396 0.000 0.688 315 V HN 0.513 nan 8.190 nan 0.000 0.480 316 L N 0.396 121.663 121.223 0.073 0.000 2.607 316 L HA 0.222 4.561 4.340 -0.000 0.000 0.228 316 L C 1.359 178.293 176.870 0.107 0.000 1.123 316 L CA 0.279 55.159 54.840 0.067 0.000 0.890 316 L CB -0.093 41.998 42.059 0.053 0.000 1.103 316 L HN 0.442 nan 8.230 nan 0.000 0.468 317 R N -2.182 118.421 120.500 0.173 0.000 2.648 317 R HA 0.109 4.449 4.340 -0.000 0.000 0.341 317 R C -1.149 175.316 176.300 0.274 0.000 1.154 317 R CA -0.548 55.657 56.100 0.176 0.000 1.228 317 R CB -0.495 29.891 30.300 0.143 0.000 1.311 317 R HN 0.023 nan 8.270 nan 0.000 0.659 318 W N 2.130 123.496 121.300 0.110 0.000 2.288 318 W HA 0.557 5.217 4.660 -0.000 0.000 0.325 318 W C -0.630 175.994 176.519 0.175 0.000 1.019 318 W CA -0.839 56.633 57.345 0.212 0.000 1.403 318 W CB 1.217 30.822 29.460 0.242 0.000 1.226 318 W HN 0.369 nan 8.180 nan 0.000 0.391 319 A N 6.050 128.763 122.820 -0.179 0.000 3.078 319 A HA 0.455 4.775 4.320 -0.000 0.000 0.279 319 A C -1.079 175.992 177.584 -0.855 0.000 1.594 319 A CA 0.178 51.991 52.037 -0.374 0.000 1.301 319 A CB -0.670 18.151 19.000 -0.298 0.000 1.162 319 A HN 0.797 nan 8.150 nan 0.000 0.585 320 H N 0.000 118.690 119.070 -0.633 0.000 2.539 320 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 320 H CA 0.000 55.634 56.048 -0.689 0.000 1.023 320 H CB 0.000 28.988 29.762 -1.290 0.000 1.292 320 H HN 0.000 nan 8.280 nan 0.000 0.496