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 3fkk_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 QVAYFKIETP 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 0.000 174.713 174.700 0.022 0.000 1.109 17 T CA 0.000 62.111 62.100 0.018 0.000 1.349 17 T CB 0.000 68.877 68.868 0.015 0.000 0.612 18 P HA 0.481 nan 4.420 nan 0.000 0.275 18 P C 0.017 177.359 177.300 0.071 0.000 1.228 18 P CA -0.246 62.894 63.100 0.066 0.000 0.786 18 P CB 1.392 33.154 31.700 0.102 0.000 0.927 19 R N 0.271 120.812 120.500 0.070 0.000 2.148 19 R HA -0.029 4.311 4.340 -0.000 0.000 0.227 19 R C 0.183 176.231 176.300 -0.421 0.000 1.103 19 R CA 1.056 57.051 56.100 -0.174 0.000 0.983 19 R CB -0.217 29.959 30.300 -0.206 0.000 0.874 19 R HN 0.673 nan 8.270 nan 0.000 0.451 20 H N -0.972 118.313 119.070 0.358 0.000 2.806 20 H HA 0.417 4.973 4.556 -0.000 0.000 0.367 20 H C -0.747 174.904 175.328 0.538 0.000 1.136 20 H CA -1.032 55.261 56.048 0.409 0.000 1.178 20 H CB 1.592 31.511 29.762 0.262 0.000 1.718 20 H HN 0.020 nan 8.280 nan 0.000 0.540 21 R N 1.282 122.091 120.500 0.515 0.000 2.733 21 R HA 0.736 5.076 4.340 -0.000 0.000 0.272 21 R C -0.540 175.849 176.300 0.147 0.000 1.029 21 R CA -0.590 55.663 56.100 0.257 0.000 0.888 21 R CB 1.359 31.768 30.300 0.181 0.000 1.251 21 R HN 0.951 nan 8.270 nan 0.000 0.464 22 G N 0.785 109.520 108.800 -0.109 0.000 2.445 22 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.212 22 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.212 22 G C -1.243 173.561 174.900 -0.160 0.000 1.217 22 G CA -0.256 44.794 45.100 -0.082 0.000 1.002 22 G HN 0.791 nan 8.290 nan 0.000 0.574 23 I N 0.271 120.784 120.570 -0.094 0.000 2.339 23 I HA 0.683 4.853 4.170 -0.000 0.000 0.290 23 I C -0.881 175.182 176.117 -0.090 0.000 0.994 23 I CA -0.989 60.243 61.300 -0.113 0.000 1.191 23 I CB 0.579 38.480 38.000 -0.166 0.000 1.343 23 I HN 0.345 nan 8.210 nan 0.000 0.458 24 F N 9.181 128.994 119.950 -0.229 0.000 2.453 24 F HA 0.425 4.952 4.527 -0.000 0.000 0.358 24 F C -2.129 173.627 175.800 -0.074 0.000 1.129 24 F CA -2.529 55.412 58.000 -0.098 0.000 1.200 24 F CB 0.589 39.621 39.000 0.053 0.000 1.431 24 F HN 0.285 nan 8.300 nan 0.000 0.503 25 P HA 0.080 nan 4.420 nan 0.000 0.272 25 P C -0.246 177.053 177.300 -0.002 0.000 1.223 25 P CA -0.017 63.052 63.100 -0.053 0.000 0.784 25 P CB 1.808 33.428 31.700 -0.133 0.000 0.923 26 V N 3.289 123.211 119.914 0.012 0.000 2.488 26 V HA 0.033 4.153 4.120 -0.000 0.000 0.277 26 V C 0.738 176.864 176.094 0.052 0.000 1.046 26 V CA -0.380 61.953 62.300 0.056 0.000 0.986 26 V CB 1.167 33.050 31.823 0.100 0.000 0.989 26 V HN 0.254 nan 8.190 nan 0.000 0.475 27 V N 9.196 129.129 119.914 0.031 0.000 2.470 27 V HA 0.213 4.333 4.120 -0.000 0.000 0.276 27 V C -1.612 174.487 176.094 0.008 0.000 1.040 27 V CA -1.182 61.123 62.300 0.007 0.000 1.008 27 V CB 1.076 32.891 31.823 -0.015 0.000 0.990 27 V HN 0.776 nan 8.190 nan 0.000 0.477 28 P HA 0.198 nan 4.420 nan 0.000 0.276 28 P C -0.324 176.899 177.300 -0.128 0.000 1.244 28 P CA -0.303 62.775 63.100 -0.036 0.000 0.801 28 P CB 0.763 32.451 31.700 -0.020 0.000 1.006 29 T N 1.465 115.883 114.554 -0.227 0.000 2.771 29 T HA 0.332 4.682 4.350 -0.000 0.000 0.291 29 T C 0.229 174.550 174.700 -0.632 0.000 0.954 29 T CA -0.098 61.744 62.100 -0.431 0.000 1.045 29 T CB -0.094 68.442 68.868 -0.553 0.000 0.917 29 T HN 0.426 nan 8.240 nan 0.000 0.484 30 T N 1.981 116.231 114.554 -0.507 0.000 2.771 30 T HA 0.658 5.008 4.350 -0.000 0.000 0.291 30 T C -0.423 174.000 174.700 -0.462 0.000 0.954 30 T CA -0.686 61.183 62.100 -0.386 0.000 1.045 30 T CB -0.039 68.722 68.868 -0.179 0.000 0.917 30 T HN 0.334 nan 8.240 nan 0.000 0.484 31 F N 1.152 121.090 119.950 -0.019 0.000 2.523 31 F HA 0.702 5.229 4.527 -0.000 0.000 0.329 31 F C 0.883 176.679 175.800 -0.008 0.000 1.061 31 F CA -1.397 56.594 58.000 -0.015 0.000 0.967 31 F CB 1.425 40.416 39.000 -0.015 0.000 1.218 31 F HN 0.828 nan 8.300 nan 0.000 0.480 32 A N 0.723 123.668 122.820 0.209 0.000 2.280 32 A HA 0.171 4.491 4.320 -0.000 0.000 0.268 32 A C 0.811 178.457 177.584 0.104 0.000 1.111 32 A CA -0.197 51.907 52.037 0.112 0.000 0.814 32 A CB 0.029 19.076 19.000 0.078 0.000 1.093 32 A HN 0.899 nan 8.150 nan 0.000 0.498 33 D N -0.625 119.812 120.400 0.063 0.000 2.182 33 D HA -0.130 4.510 4.640 -0.000 0.000 0.201 33 D C 1.772 178.087 176.300 0.025 0.000 0.986 33 D CA 2.281 56.308 54.000 0.044 0.000 0.847 33 D CB 0.027 40.844 40.800 0.028 0.000 0.942 33 D HN 0.643 nan 8.370 nan 0.000 0.467 34 T N -3.892 110.674 114.554 0.021 0.000 3.144 34 T HA 0.393 4.743 4.350 -0.000 0.000 0.249 34 T C 1.562 176.250 174.700 -0.021 0.000 1.089 34 T CA 0.369 62.468 62.100 -0.003 0.000 0.989 34 T CB 0.637 69.504 68.868 -0.002 0.000 0.992 34 T HN 0.180 nan 8.240 nan 0.000 0.540 35 G N 1.468 110.258 108.800 -0.016 0.000 2.232 35 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.226 35 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.226 35 G C -0.312 174.585 174.900 -0.005 0.000 0.996 35 G CA -0.217 44.818 45.100 -0.109 0.000 0.626 35 G HN 0.626 nan 8.290 nan 0.000 0.509 36 D N 0.929 121.373 120.400 0.073 0.000 2.368 36 D HA 0.478 5.118 4.640 -0.000 0.000 0.240 36 D C 1.173 177.609 176.300 0.227 0.000 1.169 36 D CA -0.225 53.843 54.000 0.114 0.000 0.906 36 D CB 0.677 41.519 40.800 0.069 0.000 1.187 36 D HN 0.323 nan 8.370 nan 0.000 0.435 37 L N 1.257 122.596 121.223 0.194 0.000 2.453 37 L HA 0.083 4.423 4.340 -0.000 0.000 0.272 37 L C 0.329 177.235 176.870 0.061 0.000 1.182 37 L CA 0.252 55.175 54.840 0.138 0.000 0.858 37 L CB 0.319 42.416 42.059 0.064 0.000 1.120 37 L HN 0.453 nan 8.230 nan 0.000 0.474 38 D N 3.698 124.101 120.400 0.005 0.000 2.477 38 D HA 0.218 4.858 4.640 -0.000 0.000 0.239 38 D C 0.804 177.077 176.300 -0.045 0.000 1.102 38 D CA -0.314 53.683 54.000 -0.006 0.000 0.901 38 D CB 0.853 41.655 40.800 0.005 0.000 1.026 38 D HN 0.367 nan 8.370 nan 0.000 0.515 39 L N 2.053 123.253 121.223 -0.038 0.000 2.201 39 L HA -0.021 4.319 4.340 -0.000 0.000 0.212 39 L C 2.377 179.203 176.870 -0.073 0.000 1.105 39 L CA 0.934 55.738 54.840 -0.060 0.000 0.775 39 L CB -0.312 41.721 42.059 -0.044 0.000 0.913 39 L HN 0.366 nan 8.230 nan 0.000 0.440 40 A N -0.233 122.559 122.820 -0.047 0.000 1.877 40 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 40 A C 2.529 180.089 177.584 -0.039 0.000 1.186 40 A CA 2.059 54.071 52.037 -0.042 0.000 0.620 40 A CB -0.552 18.442 19.000 -0.009 0.000 0.822 40 A HN 0.344 nan 8.150 nan 0.000 0.443 41 S N -0.793 114.891 115.700 -0.027 0.000 2.383 41 S HA -0.152 4.318 4.470 -0.000 0.000 0.227 41 S C 2.094 176.663 174.600 -0.052 0.000 1.026 41 S CA 1.449 59.638 58.200 -0.019 0.000 0.981 41 S CB -0.250 62.939 63.200 -0.018 0.000 0.818 41 S HN 0.647 nan 8.310 nan 0.000 0.472 42 Q N 1.804 121.553 119.800 -0.085 0.000 2.096 42 Q HA -0.079 4.261 4.340 -0.000 0.000 0.204 42 Q C 1.779 177.711 176.000 -0.113 0.000 0.982 42 Q CA 1.678 57.417 55.803 -0.106 0.000 0.850 42 Q CB -0.188 28.478 28.738 -0.119 0.000 0.901 42 Q HN 0.446 nan 8.270 nan 0.000 0.422 43 K N -0.655 119.637 120.400 -0.179 0.000 2.103 43 K HA -0.052 4.268 4.320 -0.000 0.000 0.204 43 K C 2.243 178.773 176.600 -0.116 0.000 1.052 43 K CA 1.129 57.205 56.287 -0.352 0.000 0.945 43 K CB -0.048 32.008 32.500 -0.741 0.000 0.722 43 K HN 0.129 nan 8.250 nan 0.000 0.443 44 R N 0.506 121.000 120.500 -0.010 0.000 2.092 44 R HA -0.043 4.297 4.340 -0.000 0.000 0.231 44 R C 2.387 178.684 176.300 -0.005 0.000 1.119 44 R CA 1.141 57.324 56.100 0.138 0.000 0.970 44 R CB -0.293 30.134 30.300 0.212 0.000 0.864 44 R HN 0.166 nan 8.270 nan 0.000 0.440 45 A N 0.657 123.457 122.820 -0.033 0.000 1.877 45 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 45 A C 2.328 179.901 177.584 -0.017 0.000 1.186 45 A CA 1.414 53.434 52.037 -0.030 0.000 0.620 45 A CB -0.623 18.360 19.000 -0.029 0.000 0.822 45 A HN 0.117 nan 8.150 nan 0.000 0.443 46 V N 0.622 120.527 119.914 -0.015 0.000 2.287 46 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 46 V C 2.239 178.321 176.094 -0.019 0.000 1.053 46 V CA 2.436 64.733 62.300 -0.004 0.000 1.027 46 V CB -0.789 31.077 31.823 0.072 0.000 0.646 46 V HN 0.513 nan 8.190 nan 0.000 0.447 47 D N -0.592 119.847 120.400 0.066 0.000 2.117 47 D HA -0.182 4.458 4.640 -0.000 0.000 0.197 47 D C 1.893 178.156 176.300 -0.062 0.000 0.987 47 D CA 1.513 55.575 54.000 0.104 0.000 0.829 47 D CB -0.320 40.684 40.800 0.341 0.000 0.961 47 D HN 0.540 nan 8.370 nan 0.000 0.460 48 F N 0.897 120.518 119.950 -0.548 0.000 2.102 48 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 48 F C 2.283 177.814 175.800 -0.449 0.000 1.105 48 F CA 1.220 58.613 58.000 -1.013 0.000 1.239 48 F CB -0.263 37.850 39.000 -1.478 0.000 0.991 48 F HN -0.183 nan 8.300 nan 0.000 0.474 49 M N 0.384 119.457 119.600 -0.878 0.000 2.149 49 M HA -0.193 4.287 4.480 -0.000 0.000 0.261 49 M C 2.187 178.167 176.300 -0.535 0.000 1.064 49 M CA 1.742 56.555 55.300 -0.812 0.000 1.102 49 M CB -0.517 31.858 32.600 -0.375 0.000 1.369 49 M HN 0.287 nan 8.290 nan 0.000 0.408 50 I N -0.143 120.219 120.570 -0.347 0.000 2.286 50 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 50 I C 1.657 177.648 176.117 -0.210 0.000 1.104 50 I CA 0.999 62.159 61.300 -0.233 0.000 1.397 50 I CB -0.493 37.424 38.000 -0.138 0.000 1.072 50 I HN 0.209 nan 8.210 nan 0.000 0.417 51 D N 1.243 121.531 120.400 -0.187 0.000 2.218 51 D HA -0.109 4.531 4.640 -0.000 0.000 0.204 51 D C 2.088 178.309 176.300 -0.132 0.000 0.976 51 D CA 1.155 55.118 54.000 -0.060 0.000 0.853 51 D CB -0.062 40.849 40.800 0.185 0.000 0.939 51 D HN 0.305 nan 8.370 nan 0.000 0.481 52 A N -0.305 122.295 122.820 -0.368 0.000 2.209 52 A HA 0.308 4.628 4.320 -0.000 0.000 0.212 52 A C 1.805 179.258 177.584 -0.219 0.000 1.158 52 A CA 1.304 53.139 52.037 -0.337 0.000 0.742 52 A CB -0.292 18.326 19.000 -0.636 0.000 0.790 52 A HN 0.278 nan 8.150 nan 0.000 0.472 53 G N -1.311 107.369 108.800 -0.200 0.000 2.144 53 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 53 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 53 G C 0.272 175.052 174.900 -0.199 0.000 0.988 53 G CA 0.192 45.196 45.100 -0.159 0.000 0.659 53 G HN 0.677 nan 8.290 nan 0.000 0.522 54 S N 0.845 116.389 115.700 -0.259 0.000 2.552 54 S HA 0.207 4.677 4.470 -0.000 0.000 0.289 54 S C 1.093 175.485 174.600 -0.346 0.000 1.304 54 S CA 0.217 58.231 58.200 -0.310 0.000 1.063 54 S CB 0.950 63.948 63.200 -0.337 0.000 0.848 54 S HN 0.323 nan 8.310 nan 0.000 0.499 55 D N 1.500 121.637 120.400 -0.438 0.000 2.277 55 D HA 0.126 4.766 4.640 -0.000 0.000 0.208 55 D C 0.995 176.802 176.300 -0.821 0.000 0.962 55 D CA 0.703 54.429 54.000 -0.457 0.000 0.865 55 D CB 0.267 40.901 40.800 -0.277 0.000 0.939 55 D HN 0.679 nan 8.370 nan 0.000 0.510 56 G N -0.416 107.619 108.800 -1.276 0.000 2.495 56 G HA2 0.541 4.501 3.960 -0.000 0.000 0.294 56 G HA3 0.541 4.501 3.960 -0.000 0.000 0.294 56 G C -1.910 172.590 174.900 -0.665 0.000 1.397 56 G CA -0.742 43.637 45.100 -1.201 0.000 0.790 56 G HN 0.021 nan 8.290 nan 0.000 0.486 57 L N -0.595 120.499 121.223 -0.214 0.000 2.388 57 L HA 0.663 5.003 4.340 -0.000 0.000 0.264 57 L C -0.716 176.210 176.870 0.092 0.000 0.998 57 L CA -0.929 53.879 54.840 -0.052 0.000 0.817 57 L CB 2.436 44.449 42.059 -0.077 0.000 1.338 57 L HN 0.671 nan 8.230 nan 0.000 0.414 58 C N 4.739 124.096 119.300 0.095 0.000 2.345 58 C HA 0.752 5.212 4.460 -0.000 0.000 0.323 58 C C -0.002 175.020 174.990 0.054 0.000 1.276 58 C CA -0.590 58.486 59.018 0.096 0.000 1.543 58 C CB -0.220 27.595 27.740 0.125 0.000 2.211 58 C HN 0.685 nan 8.230 nan 0.000 0.493 59 I N 3.957 124.550 120.570 0.038 0.000 2.750 59 I HA 0.616 4.786 4.170 -0.000 0.000 0.308 59 I C 0.105 176.242 176.117 0.034 0.000 1.016 59 I CA -1.021 60.294 61.300 0.025 0.000 1.098 59 I CB 1.402 39.406 38.000 0.008 0.000 1.279 59 I HN 0.766 nan 8.210 nan 0.000 0.454 60 L N 1.427 122.665 121.223 0.026 0.000 3.717 60 L HA -0.239 4.101 4.340 -0.000 0.000 0.414 60 L C 0.525 177.438 176.870 0.072 0.000 1.228 60 L CA 0.500 55.361 54.840 0.034 0.000 0.918 60 L CB -1.929 40.150 42.059 0.033 0.000 1.865 60 L HN 0.958 nan 8.230 nan 0.000 0.922 61 A N -0.210 122.666 122.820 0.093 0.000 2.274 61 A HA 0.459 4.779 4.320 -0.000 0.000 0.297 61 A C 1.119 178.822 177.584 0.197 0.000 1.191 61 A CA 0.393 52.514 52.037 0.141 0.000 0.889 61 A CB 0.280 19.361 19.000 0.135 0.000 1.294 61 A HN 0.369 nan 8.150 nan 0.000 0.506 62 N N -1.262 117.606 118.700 0.279 0.000 2.223 62 N HA -0.092 4.648 4.740 -0.000 0.000 0.185 62 N C 0.876 176.672 175.510 0.476 0.000 1.016 62 N CA 1.167 54.472 53.050 0.425 0.000 0.863 62 N CB -0.247 38.493 38.487 0.422 0.000 0.983 62 N HN 0.650 nan 8.380 nan 0.000 0.429 63 F N 0.138 120.176 119.950 0.147 0.000 2.802 63 F HA 0.074 4.601 4.527 -0.000 0.000 0.300 63 F C 1.379 177.208 175.800 0.049 0.000 1.168 63 F CA 0.078 58.145 58.000 0.111 0.000 1.433 63 F CB 0.415 39.462 39.000 0.078 0.000 1.115 63 F HN -0.020 nan 8.300 nan 0.000 0.582 64 S N -0.451 115.336 115.700 0.145 0.000 2.557 64 S HA 0.017 4.487 4.470 -0.000 0.000 0.223 64 S C 0.420 174.953 174.600 -0.111 0.000 0.969 64 S CA -0.164 58.041 58.200 0.009 0.000 0.927 64 S CB -0.191 63.017 63.200 0.014 0.000 0.806 64 S HN 0.362 nan 8.310 nan 0.000 0.489 65 E N 0.744 120.820 120.200 -0.206 0.000 2.476 65 E HA -0.318 4.032 4.350 -0.000 0.000 0.251 65 E C 1.032 177.216 176.600 -0.695 0.000 1.130 65 E CA 0.575 56.550 56.400 -0.708 0.000 0.736 65 E CB -1.212 28.311 29.700 -0.296 0.000 1.298 65 E HN 0.711 nan 8.360 nan 0.000 0.400 66 Q N -0.136 119.450 119.800 -0.357 0.000 2.234 66 Q HA -0.206 4.134 4.340 -0.000 0.000 0.206 66 Q C 1.639 177.584 176.000 -0.093 0.000 0.980 66 Q CA 2.272 57.999 55.803 -0.126 0.000 0.869 66 Q CB -0.861 27.898 28.738 0.035 0.000 0.912 66 Q HN 0.671 nan 8.270 nan 0.000 0.436 67 F N -0.926 119.085 119.950 0.102 0.000 2.451 67 F HA 0.350 4.877 4.527 -0.000 0.000 0.299 67 F C 1.768 177.610 175.800 0.070 0.000 1.101 67 F CA 0.364 58.412 58.000 0.079 0.000 1.436 67 F CB -0.468 38.572 39.000 0.067 0.000 1.074 67 F HN 0.168 nan 8.300 nan 0.000 0.553 68 A N 1.224 123.932 122.820 -0.186 0.000 2.345 68 A HA 0.415 4.735 4.320 -0.000 0.000 0.225 68 A C 0.771 178.356 177.584 0.001 0.000 1.243 68 A CA -0.206 51.805 52.037 -0.043 0.000 0.875 68 A CB -0.884 18.031 19.000 -0.142 0.000 0.929 68 A HN 0.528 nan 8.150 nan 0.000 0.502 69 I N -3.430 117.159 120.570 0.032 0.000 3.023 69 I HA 0.723 4.893 4.170 -0.000 0.000 0.312 69 I C 0.127 176.282 176.117 0.062 0.000 1.056 69 I CA -0.702 60.639 61.300 0.069 0.000 1.033 69 I CB 1.927 39.983 38.000 0.094 0.000 1.233 69 I HN 0.039 nan 8.210 nan 0.000 0.462 70 T N -1.480 113.109 114.554 0.058 0.000 2.912 70 T HA 0.283 4.633 4.350 -0.000 0.000 0.280 70 T C 0.494 175.222 174.700 0.048 0.000 0.989 70 T CA -0.344 61.786 62.100 0.051 0.000 0.995 70 T CB 1.392 70.284 68.868 0.040 0.000 1.077 70 T HN 0.638 nan 8.240 nan 0.000 0.531 71 D N 0.532 120.958 120.400 0.043 0.000 2.123 71 D HA -0.090 4.550 4.640 -0.000 0.000 0.196 71 D C 1.636 177.949 176.300 0.022 0.000 0.992 71 D CA 1.275 55.294 54.000 0.032 0.000 0.833 71 D CB -0.307 40.505 40.800 0.020 0.000 0.954 71 D HN 0.600 nan 8.370 nan 0.000 0.455 72 D N 0.656 121.068 120.400 0.021 0.000 2.123 72 D HA -0.124 4.516 4.640 -0.000 0.000 0.196 72 D C 1.952 178.264 176.300 0.020 0.000 0.992 72 D CA 0.817 54.827 54.000 0.016 0.000 0.833 72 D CB -0.230 40.579 40.800 0.016 0.000 0.954 72 D HN 0.402 nan 8.370 nan 0.000 0.455 73 E N 0.238 120.456 120.200 0.030 0.000 2.106 73 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 73 E C 2.139 178.753 176.600 0.023 0.000 0.984 73 E CA 0.425 56.845 56.400 0.034 0.000 0.806 73 E CB 0.021 29.756 29.700 0.058 0.000 0.750 73 E HN 0.179 nan 8.360 nan 0.000 0.458 74 R N 1.320 121.836 120.500 0.026 0.000 2.081 74 R HA -0.212 4.128 4.340 -0.000 0.000 0.235 74 R C 1.778 178.084 176.300 0.010 0.000 1.131 74 R CA 2.180 58.292 56.100 0.020 0.000 0.960 74 R CB -0.185 30.133 30.300 0.030 0.000 0.856 74 R HN 0.087 nan 8.270 nan 0.000 0.436 75 D N -0.615 119.791 120.400 0.009 0.000 2.117 75 D HA -0.114 4.526 4.640 -0.000 0.000 0.198 75 D C 1.904 178.205 176.300 0.002 0.000 0.982 75 D CA 1.162 55.163 54.000 0.003 0.000 0.828 75 D CB 0.231 41.031 40.800 0.000 0.000 0.967 75 D HN 0.106 nan 8.370 nan 0.000 0.464 76 V N 0.359 120.275 119.914 0.004 0.000 2.295 76 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 76 V C 2.328 178.420 176.094 -0.004 0.000 1.049 76 V CA 1.004 63.305 62.300 0.002 0.000 1.024 76 V CB -0.401 31.425 31.823 0.005 0.000 0.648 76 V HN 0.322 nan 8.190 nan 0.000 0.447 77 L N -0.142 121.076 121.223 -0.008 0.000 2.046 77 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 77 L C 2.585 179.448 176.870 -0.012 0.000 1.077 77 L CA 2.239 57.067 54.840 -0.020 0.000 0.747 77 L CB -1.566 40.475 42.059 -0.030 0.000 0.896 77 L HN 0.365 nan 8.230 nan 0.000 0.432 78 T N -1.071 113.480 114.554 -0.005 0.000 2.708 78 T HA -0.227 4.123 4.350 -0.000 0.000 0.266 78 T C 2.053 176.754 174.700 0.002 0.000 1.037 78 T CA 1.525 63.624 62.100 -0.001 0.000 1.146 78 T CB -0.114 68.754 68.868 -0.001 0.000 0.865 78 T HN 0.252 nan 8.240 nan 0.000 0.435 79 R N 0.496 120.998 120.500 0.002 0.000 2.073 79 R HA -0.115 4.225 4.340 -0.000 0.000 0.234 79 R C 2.456 178.764 176.300 0.014 0.000 1.134 79 R CA 1.822 57.926 56.100 0.006 0.000 0.952 79 R CB -0.612 29.691 30.300 0.005 0.000 0.850 79 R HN 0.291 nan 8.270 nan 0.000 0.433 80 T N 1.372 115.932 114.554 0.010 0.000 2.652 80 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 80 T C 1.871 176.592 174.700 0.035 0.000 1.039 80 T CA 1.773 63.882 62.100 0.014 0.000 1.153 80 T CB -0.177 68.685 68.868 -0.010 0.000 0.863 80 T HN 0.214 nan 8.240 nan 0.000 0.428 81 I N 0.478 121.060 120.570 0.020 0.000 2.252 81 I HA -0.107 4.063 4.170 -0.000 0.000 0.245 81 I C 2.327 178.475 176.117 0.052 0.000 1.102 81 I CA 1.086 62.408 61.300 0.037 0.000 1.385 81 I CB -0.381 37.623 38.000 0.007 0.000 1.064 81 I HN 0.181 nan 8.210 nan 0.000 0.414 82 L N 0.428 121.668 121.223 0.029 0.000 2.046 82 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 82 L C 2.661 179.547 176.870 0.026 0.000 1.077 82 L CA 1.564 56.416 54.840 0.019 0.000 0.747 82 L CB -0.523 41.540 42.059 0.008 0.000 0.896 82 L HN 0.316 nan 8.230 nan 0.000 0.432 83 E N -0.576 119.647 120.200 0.039 0.000 2.077 83 E HA -0.308 4.042 4.350 -0.000 0.000 0.193 83 E C 2.126 178.759 176.600 0.056 0.000 0.989 83 E CA 1.430 57.853 56.400 0.040 0.000 0.800 83 E CB -0.021 29.707 29.700 0.046 0.000 0.746 83 E HN 0.476 nan 8.360 nan 0.000 0.452 84 H N -0.319 118.747 119.070 -0.006 0.000 2.389 84 H HA -0.043 4.513 4.556 -0.000 0.000 0.299 84 H C 1.922 177.245 175.328 -0.008 0.000 1.081 84 H CA 1.603 57.649 56.048 -0.003 0.000 1.345 84 H CB -0.018 29.743 29.762 -0.001 0.000 1.393 84 H HN 0.034 nan 8.280 nan 0.000 0.520 85 V N 0.466 120.381 119.914 0.002 0.000 2.490 85 V HA -0.193 3.927 4.120 -0.000 0.000 0.250 85 V C 1.668 177.710 176.094 -0.086 0.000 1.061 85 V CA 1.084 63.353 62.300 -0.052 0.000 1.064 85 V CB -1.318 30.494 31.823 -0.019 0.000 0.670 85 V HN 0.757 nan 8.190 nan 0.000 0.461 86 A N -0.478 122.302 122.820 -0.066 0.000 2.745 86 A HA -0.083 4.237 4.320 -0.000 0.000 0.296 86 A C 1.688 179.246 177.584 -0.044 0.000 1.500 86 A CA 1.120 53.121 52.037 -0.060 0.000 0.766 86 A CB -1.826 17.119 19.000 -0.093 0.000 1.030 86 A HN 1.985 nan 8.150 nan 0.000 0.489 87 G N -1.771 107.010 108.800 -0.030 0.000 2.175 87 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.265 87 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.265 87 G C 0.883 175.768 174.900 -0.024 0.000 0.979 87 G CA 1.430 46.519 45.100 -0.019 0.000 0.663 87 G HN 1.053 nan 8.290 nan 0.000 0.533 88 R N -0.591 119.883 120.500 -0.042 0.000 2.092 88 R HA 0.232 4.572 4.340 -0.000 0.000 0.231 88 R C 1.366 177.638 176.300 -0.047 0.000 1.119 88 R CA 1.783 57.855 56.100 -0.048 0.000 0.970 88 R CB -0.058 30.202 30.300 -0.066 0.000 0.864 88 R HN 0.988 nan 8.270 nan 0.000 0.440 89 V N -2.610 117.272 119.914 -0.054 0.000 3.049 89 V HA 0.488 4.608 4.120 -0.000 0.000 0.309 89 V C -2.751 173.323 176.094 -0.033 0.000 1.148 89 V CA -2.827 59.433 62.300 -0.065 0.000 0.990 89 V CB 2.363 34.098 31.823 -0.146 0.000 1.039 89 V HN -0.093 nan 8.190 nan 0.000 0.430 90 P HA 0.304 nan 4.420 nan 0.000 0.269 90 P C -0.746 176.572 177.300 0.030 0.000 1.209 90 P CA 0.062 63.199 63.100 0.062 0.000 0.776 90 P CB 1.438 33.245 31.700 0.178 0.000 0.876 91 V N 4.416 124.337 119.914 0.012 0.000 2.495 91 V HA 0.358 4.478 4.120 -0.000 0.000 0.298 91 V C 0.499 176.591 176.094 -0.004 0.000 1.031 91 V CA -0.703 61.605 62.300 0.014 0.000 0.871 91 V CB 1.727 33.548 31.823 -0.003 0.000 0.988 91 V HN 0.388 nan 8.190 nan 0.000 0.432 92 I N 4.758 125.343 120.570 0.025 0.000 2.312 92 I HA 0.359 4.529 4.170 -0.000 0.000 0.290 92 I C -0.420 175.689 176.117 -0.013 0.000 1.008 92 I CA -0.621 60.659 61.300 -0.034 0.000 1.226 92 I CB 1.654 39.637 38.000 -0.029 0.000 1.371 92 I HN 0.269 nan 8.210 nan 0.000 0.468 93 V N 5.490 125.386 119.914 -0.029 0.000 2.383 93 V HA 0.176 4.296 4.120 -0.000 0.000 0.275 93 V C 0.490 176.587 176.094 0.004 0.000 1.036 93 V CA -0.440 61.855 62.300 -0.007 0.000 0.889 93 V CB 1.243 33.060 31.823 -0.011 0.000 0.985 93 V HN 0.698 nan 8.190 nan 0.000 0.459 94 T N 3.779 118.350 114.554 0.028 0.000 2.779 94 T HA 0.223 4.573 4.350 -0.000 0.000 0.296 94 T C 1.003 175.741 174.700 0.064 0.000 0.938 94 T CA 0.201 62.333 62.100 0.054 0.000 1.119 94 T CB 0.598 69.512 68.868 0.077 0.000 0.891 94 T HN 0.965 nan 8.240 nan 0.000 0.526 95 T N -0.743 113.857 114.554 0.078 0.000 3.200 95 T HA 0.220 4.570 4.350 -0.000 0.000 0.284 95 T C 0.661 175.451 174.700 0.149 0.000 1.009 95 T CA -0.611 61.541 62.100 0.086 0.000 0.907 95 T CB 0.066 68.962 68.868 0.047 0.000 1.120 95 T HN 0.365 nan 8.240 nan 0.000 0.534 96 S N 2.549 118.353 115.700 0.174 0.000 2.573 96 S HA 0.267 4.737 4.470 -0.000 0.000 0.297 96 S C -0.300 174.453 174.600 0.256 0.000 1.280 96 S CA 0.194 58.522 58.200 0.213 0.000 1.061 96 S CB -0.069 63.242 63.200 0.184 0.000 0.812 96 S HN 0.833 nan 8.310 nan 0.000 0.500 97 H N 0.032 119.191 119.070 0.150 0.000 3.114 97 H HA 0.177 4.733 4.556 0.000 0.000 0.325 97 H C -0.179 175.242 175.328 0.155 0.000 1.206 97 H CA -0.688 55.438 56.048 0.131 0.000 1.316 97 H CB 0.120 29.959 29.762 0.128 0.000 1.981 97 H HN 0.458 nan 8.280 nan 0.000 0.527 98 Y N 2.782 122.877 120.300 -0.342 0.000 2.145 98 Y HA -0.049 4.501 4.550 -0.000 0.000 0.286 98 Y C 1.170 177.149 175.900 0.132 0.000 1.145 98 Y CA 1.959 59.956 58.100 -0.173 0.000 1.148 98 Y CB -0.023 38.271 38.460 -0.276 0.000 0.981 98 Y HN 0.453 nan 8.280 nan 0.000 0.507 99 S N 0.318 116.363 115.700 0.575 0.000 2.498 99 S HA 0.007 4.477 4.470 -0.000 0.000 0.281 99 S C 1.145 175.954 174.600 0.347 0.000 1.265 99 S CA 0.260 58.744 58.200 0.473 0.000 1.071 99 S CB 0.769 64.225 63.200 0.427 0.000 0.894 99 S HN 0.519 nan 8.310 nan 0.000 0.491 100 T N 5.441 120.125 114.554 0.216 0.000 2.684 100 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 100 T C 1.812 176.430 174.700 -0.138 0.000 1.036 100 T CA 1.811 63.864 62.100 -0.079 0.000 1.148 100 T CB -0.305 68.512 68.868 -0.084 0.000 0.863 100 T HN 0.767 nan 8.240 nan 0.000 0.436 101 Q N 0.144 119.919 119.800 -0.043 0.000 2.124 101 Q HA -0.046 4.294 4.340 -0.000 0.000 0.202 101 Q C 2.525 178.479 176.000 -0.075 0.000 0.977 101 Q CA 0.992 56.759 55.803 -0.060 0.000 0.850 101 Q CB -0.291 28.431 28.738 -0.026 0.000 0.901 101 Q HN 0.341 nan 8.270 nan 0.000 0.429 102 V N -0.069 119.806 119.914 -0.064 0.000 2.379 102 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 102 V C 2.291 178.307 176.094 -0.130 0.000 1.044 102 V CA 1.454 63.656 62.300 -0.164 0.000 1.036 102 V CB -0.402 31.160 31.823 -0.434 0.000 0.664 102 V HN 0.586 nan 8.190 nan 0.000 0.453 103 C N 0.519 119.791 119.300 -0.047 0.000 2.429 103 C HA -0.084 4.376 4.460 -0.000 0.000 0.277 103 C C 3.082 178.003 174.990 -0.115 0.000 1.262 103 C CA 0.874 59.875 59.018 -0.028 0.000 1.733 103 C CB -1.175 26.563 27.740 -0.003 0.000 2.010 103 C HN 0.571 nan 8.230 nan 0.000 0.483 104 A N 0.475 123.190 122.820 -0.174 0.000 1.877 104 A HA 0.088 4.408 4.320 -0.000 0.000 0.216 104 A C 2.501 180.024 177.584 -0.102 0.000 1.186 104 A CA 2.320 54.263 52.037 -0.157 0.000 0.620 104 A CB -1.224 17.678 19.000 -0.164 0.000 0.822 104 A HN 0.861 nan 8.150 nan 0.000 0.443 105 A N -0.179 122.586 122.820 -0.091 0.000 1.902 105 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 105 A C 2.244 179.791 177.584 -0.062 0.000 1.181 105 A CA 1.440 53.434 52.037 -0.072 0.000 0.623 105 A CB -0.470 18.486 19.000 -0.074 0.000 0.818 105 A HN 0.541 nan 8.150 nan 0.000 0.443 106 R N -0.219 120.243 120.500 -0.064 0.000 2.115 106 R HA -0.041 4.299 4.340 -0.000 0.000 0.230 106 R C 2.331 178.609 176.300 -0.035 0.000 1.111 106 R CA 1.445 57.519 56.100 -0.044 0.000 0.976 106 R CB -0.442 29.839 30.300 -0.032 0.000 0.870 106 R HN 0.494 nan 8.270 nan 0.000 0.445 107 S N 1.416 117.089 115.700 -0.045 0.000 2.387 107 S HA -0.028 4.441 4.470 -0.000 0.000 0.226 107 S C 1.907 176.479 174.600 -0.046 0.000 1.026 107 S CA 0.580 58.753 58.200 -0.045 0.000 0.972 107 S CB -0.084 63.080 63.200 -0.061 0.000 0.814 107 S HN 0.251 nan 8.310 nan 0.000 0.477 108 L N 1.010 122.204 121.223 -0.049 0.000 2.056 108 L HA -0.063 4.277 4.340 -0.000 0.000 0.207 108 L C 2.634 179.484 176.870 -0.034 0.000 1.078 108 L CA 1.329 56.143 54.840 -0.043 0.000 0.749 108 L CB -0.181 41.851 42.059 -0.045 0.000 0.901 108 L HN 0.185 nan 8.230 nan 0.000 0.433 109 R N 0.324 120.804 120.500 -0.032 0.000 2.096 109 R HA -0.105 4.235 4.340 -0.000 0.000 0.235 109 R C 2.120 178.407 176.300 -0.022 0.000 1.127 109 R CA 1.674 57.758 56.100 -0.025 0.000 0.968 109 R CB -0.703 29.582 30.300 -0.025 0.000 0.861 109 R HN 0.441 nan 8.270 nan 0.000 0.440 110 A N 0.237 123.043 122.820 -0.024 0.000 1.877 110 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 110 A C 2.128 179.698 177.584 -0.023 0.000 1.186 110 A CA 1.655 53.679 52.037 -0.021 0.000 0.620 110 A CB -0.704 18.281 19.000 -0.024 0.000 0.822 110 A HN 0.569 nan 8.150 nan 0.000 0.443 111 Q N -0.560 119.224 119.800 -0.028 0.000 2.061 111 Q HA -0.279 4.061 4.340 -0.000 0.000 0.204 111 Q C 2.177 178.165 176.000 -0.019 0.000 0.984 111 Q CA 1.972 57.760 55.803 -0.026 0.000 0.846 111 Q CB -0.236 28.483 28.738 -0.030 0.000 0.902 111 Q HN 0.781 nan 8.270 nan 0.000 0.421 112 Q N -0.025 119.763 119.800 -0.019 0.000 2.181 112 Q HA -0.113 4.227 4.340 -0.000 0.000 0.205 112 Q C 1.873 177.866 176.000 -0.011 0.000 0.980 112 Q CA 1.190 56.985 55.803 -0.014 0.000 0.862 112 Q CB 0.017 28.745 28.738 -0.015 0.000 0.905 112 Q HN 0.438 nan 8.270 nan 0.000 0.429 113 L N -1.125 120.092 121.223 -0.011 0.000 2.591 113 L HA 0.140 4.480 4.340 -0.000 0.000 0.228 113 L C 1.006 177.873 176.870 -0.006 0.000 1.133 113 L CA 0.448 55.284 54.840 -0.007 0.000 0.880 113 L CB 0.137 42.193 42.059 -0.006 0.000 1.033 113 L HN 0.437 nan 8.230 nan 0.000 0.450 114 G N -0.349 108.446 108.800 -0.008 0.000 2.168 114 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.197 114 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.197 114 G C 0.388 175.283 174.900 -0.008 0.000 0.997 114 G CA -0.192 44.905 45.100 -0.006 0.000 0.658 114 G HN 0.423 nan 8.290 nan 0.000 0.513 115 A N 0.166 122.976 122.820 -0.016 0.000 2.498 115 A HA 0.726 5.046 4.320 -0.000 0.000 0.239 115 A C 1.586 179.150 177.584 -0.034 0.000 1.068 115 A CA 1.185 53.206 52.037 -0.027 0.000 0.766 115 A CB 0.625 19.605 19.000 -0.035 0.000 1.003 115 A HN 1.753 nan 8.150 nan 0.000 0.497 116 A N 2.067 124.856 122.820 -0.052 0.000 2.095 116 A HA 0.507 4.827 4.320 -0.000 0.000 0.212 116 A C 0.715 178.213 177.584 -0.144 0.000 1.162 116 A CA 1.217 53.217 52.037 -0.061 0.000 0.753 116 A CB -0.053 18.913 19.000 -0.057 0.000 0.840 116 A HN 1.026 nan 8.150 nan 0.000 0.468 117 M N -0.705 118.787 119.600 -0.180 0.000 2.732 117 M HA 0.472 4.952 4.480 -0.000 0.000 0.272 117 M C -2.186 174.013 176.300 -0.168 0.000 1.203 117 M CA -0.762 54.394 55.300 -0.240 0.000 0.841 117 M CB 2.157 34.484 32.600 -0.454 0.000 1.685 117 M HN 0.225 nan 8.290 nan 0.000 0.492 118 V N 0.468 120.288 119.914 -0.157 0.000 2.823 118 V HA 0.771 4.891 4.120 -0.000 0.000 0.312 118 V C -1.188 174.849 176.094 -0.094 0.000 1.072 118 V CA -0.738 61.507 62.300 -0.092 0.000 0.937 118 V CB 1.981 33.772 31.823 -0.054 0.000 1.013 118 V HN 1.052 nan 8.190 nan 0.000 0.430 119 M N 3.910 123.485 119.600 -0.041 0.000 2.383 119 M HA 0.905 5.385 4.480 -0.000 0.000 0.325 119 M C -0.661 175.685 176.300 0.077 0.000 1.092 119 M CA -0.520 54.771 55.300 -0.016 0.000 0.961 119 M CB 1.844 34.431 32.600 -0.020 0.000 1.672 119 M HN 1.247 nan 8.290 nan 0.000 0.438 120 A N 5.704 128.612 122.820 0.147 0.000 2.427 120 A HA 0.666 4.986 4.320 -0.000 0.000 0.298 120 A C -0.946 176.809 177.584 0.284 0.000 1.036 120 A CA -0.861 51.323 52.037 0.246 0.000 0.701 120 A CB 1.579 20.791 19.000 0.353 0.000 1.250 120 A HN 0.828 nan 8.150 nan 0.000 0.412 121 M N 3.371 123.104 119.600 0.222 0.000 2.226 121 M HA 0.273 4.753 4.480 -0.000 0.000 0.324 121 M C -2.031 174.351 176.300 0.137 0.000 1.112 121 M CA -1.784 53.641 55.300 0.210 0.000 1.176 121 M CB 0.270 33.030 32.600 0.266 0.000 1.430 121 M HN 0.507 nan 8.290 nan 0.000 0.462 122 P HA 0.179 nan 4.420 nan 0.000 0.272 122 P C -2.679 174.480 177.300 -0.236 0.000 1.223 122 P CA -1.055 61.993 63.100 -0.085 0.000 0.784 122 P CB -0.645 31.111 31.700 0.094 0.000 0.923 123 P HA 0.039 nan 4.420 nan 0.000 0.265 123 P C -0.875 176.343 177.300 -0.137 0.000 1.193 123 P CA 0.869 63.576 63.100 -0.655 0.000 0.765 123 P CB -0.062 30.962 31.700 -1.127 0.000 0.823 124 Y N -0.506 119.779 120.300 -0.025 0.000 2.851 124 Y HA 0.544 5.094 4.550 -0.000 0.000 0.359 124 Y C -2.029 174.103 175.900 0.385 0.000 1.231 124 Y CA -1.061 57.171 58.100 0.221 0.000 1.106 124 Y CB 0.903 39.412 38.460 0.081 0.000 1.409 124 Y HN 0.538 nan 8.280 nan 0.000 0.454 125 H N 1.200 120.362 119.070 0.155 0.000 3.128 125 H HA 0.481 5.037 4.556 -0.000 0.000 0.336 125 H C 0.316 175.825 175.328 0.302 0.000 1.026 125 H CA 0.038 56.070 56.048 -0.025 0.000 1.376 125 H CB 1.476 31.167 29.762 -0.119 0.000 1.882 125 H HN 1.665 nan 8.280 nan 0.000 0.479 126 G N 3.066 111.712 108.800 -0.257 0.000 2.550 126 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.277 126 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.277 126 G C 0.217 175.199 174.900 0.137 0.000 1.190 126 G CA 0.385 45.447 45.100 -0.063 0.000 0.971 126 G HN 1.237 nan 8.290 nan 0.000 0.559 127 A N -1.781 121.072 122.820 0.056 0.000 2.643 127 A HA 0.700 5.020 4.320 -0.000 0.000 0.295 127 A C 1.056 178.617 177.584 -0.039 0.000 1.065 127 A CA 1.374 53.421 52.037 0.017 0.000 0.986 127 A CB 0.455 19.444 19.000 -0.019 0.000 1.212 127 A HN 1.237 nan 8.150 nan 0.000 0.516 128 T N -1.285 113.224 114.554 -0.075 0.000 3.105 128 T HA 0.275 4.625 4.350 -0.000 0.000 0.257 128 T C -0.312 174.177 174.700 -0.353 0.000 0.949 128 T CA 0.254 62.174 62.100 -0.299 0.000 0.959 128 T CB -0.038 68.485 68.868 -0.575 0.000 1.205 128 T HN 0.253 nan 8.240 nan 0.000 0.496 129 F N 3.295 123.324 119.950 0.133 0.000 2.375 129 F HA 0.660 5.187 4.527 0.000 0.000 0.362 129 F C 0.497 176.428 175.800 0.219 0.000 1.129 129 F CA -0.955 57.138 58.000 0.156 0.000 1.154 129 F CB 0.432 39.515 39.000 0.137 0.000 1.205 129 F HN -0.277 nan 8.300 nan 0.000 0.513 130 R N 1.021 121.692 120.500 0.284 0.000 2.902 130 R HA 0.861 5.201 4.340 -0.000 0.000 0.258 130 R C -1.267 175.142 176.300 0.181 0.000 1.071 130 R CA -1.058 55.169 56.100 0.211 0.000 1.024 130 R CB 1.844 32.203 30.300 0.098 0.000 1.184 130 R HN 0.322 nan 8.270 nan 0.000 0.492 131 V N 2.172 122.142 119.914 0.094 0.000 2.656 131 V HA 0.472 4.592 4.120 -0.000 0.000 0.307 131 V C -2.241 173.856 176.094 0.006 0.000 1.051 131 V CA -1.984 60.342 62.300 0.044 0.000 0.893 131 V CB 2.012 33.805 31.823 -0.051 0.000 0.999 131 V HN 0.658 nan 8.190 nan 0.000 0.426 132 P HA 0.175 nan 4.420 nan 0.000 0.269 132 P C 0.890 178.162 177.300 -0.046 0.000 1.215 132 P CA -0.100 62.987 63.100 -0.022 0.000 0.780 132 P CB 0.733 32.434 31.700 0.001 0.000 0.898 133 E N 1.297 121.410 120.200 -0.145 0.000 2.097 133 E HA -0.290 4.060 4.350 -0.000 0.000 0.196 133 E C 1.914 178.535 176.600 0.034 0.000 1.000 133 E CA 1.765 57.986 56.400 -0.297 0.000 0.804 133 E CB -0.383 28.975 29.700 -0.570 0.000 0.740 133 E HN 0.531 nan 8.360 nan 0.000 0.454 134 A N 1.408 124.261 122.820 0.054 0.000 1.917 134 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 134 A C 2.091 179.802 177.584 0.212 0.000 1.182 134 A CA 1.575 53.691 52.037 0.131 0.000 0.633 134 A CB -0.351 18.681 19.000 0.053 0.000 0.819 134 A HN 0.170 nan 8.150 nan 0.000 0.448 135 Q N -0.395 119.495 119.800 0.151 0.000 2.187 135 Q HA 0.062 4.402 4.340 -0.000 0.000 0.199 135 Q C 2.088 178.211 176.000 0.206 0.000 0.957 135 Q CA 0.954 56.849 55.803 0.153 0.000 0.857 135 Q CB -0.536 28.250 28.738 0.081 0.000 0.929 135 Q HN 0.761 nan 8.270 nan 0.000 0.453 136 I N 0.392 121.092 120.570 0.217 0.000 2.226 136 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 136 I C 2.189 178.611 176.117 0.508 0.000 1.100 136 I CA 1.094 62.555 61.300 0.268 0.000 1.374 136 I CB -0.308 37.873 38.000 0.302 0.000 1.057 136 I HN 0.019 nan 8.210 nan 0.000 0.413 137 F N 2.075 122.322 119.950 0.496 0.000 2.126 137 F HA -0.236 4.291 4.527 -0.000 0.000 0.299 137 F C 2.416 178.381 175.800 0.275 0.000 1.096 137 F CA 1.811 60.063 58.000 0.421 0.000 1.255 137 F CB -0.240 38.991 39.000 0.385 0.000 0.997 137 F HN 0.065 nan 8.300 nan 0.000 0.479 138 E N -0.612 119.886 120.200 0.497 0.000 2.106 138 E HA -0.230 4.120 4.350 -0.000 0.000 0.192 138 E C 2.112 178.810 176.600 0.164 0.000 0.984 138 E CA 1.322 57.907 56.400 0.308 0.000 0.806 138 E CB -0.589 29.254 29.700 0.239 0.000 0.750 138 E HN 0.534 nan 8.360 nan 0.000 0.458 139 F N 0.981 120.930 119.950 -0.001 0.000 2.046 139 F HA -0.301 4.226 4.527 0.000 0.000 0.297 139 F C 1.960 177.647 175.800 -0.189 0.000 1.123 139 F CA 1.629 59.538 58.000 -0.151 0.000 1.199 139 F CB -0.380 38.444 39.000 -0.294 0.000 0.972 139 F HN -0.059 nan 8.300 nan 0.000 0.474 140 Y N 0.454 120.841 120.300 0.144 0.000 2.224 140 Y HA -0.087 4.463 4.550 -0.000 0.000 0.289 140 Y C 2.607 178.379 175.900 -0.214 0.000 1.146 140 Y CA 1.113 59.169 58.100 -0.073 0.000 1.182 140 Y CB -1.383 37.036 38.460 -0.069 0.000 0.983 140 Y HN 0.209 nan 8.280 nan 0.000 0.524 141 A N 0.358 123.128 122.820 -0.083 0.000 1.902 141 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 141 A C 2.281 179.820 177.584 -0.075 0.000 1.181 141 A CA 1.773 53.743 52.037 -0.110 0.000 0.623 141 A CB -0.502 18.474 19.000 -0.039 0.000 0.818 141 A HN 0.420 nan 8.150 nan 0.000 0.443 142 R N -0.843 119.602 120.500 -0.092 0.000 2.090 142 R HA -0.008 4.332 4.340 -0.000 0.000 0.228 142 R C 1.964 178.163 176.300 -0.169 0.000 1.110 142 R CA 1.185 57.217 56.100 -0.113 0.000 0.973 142 R CB -0.466 29.767 30.300 -0.113 0.000 0.869 142 R HN 0.379 nan 8.270 nan 0.000 0.440 143 V N 0.437 120.193 119.914 -0.262 0.000 2.427 143 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 143 V C 2.399 178.409 176.094 -0.140 0.000 1.051 143 V CA 2.038 64.184 62.300 -0.256 0.000 1.048 143 V CB -0.335 31.278 31.823 -0.350 0.000 0.666 143 V HN 0.343 nan 8.190 nan 0.000 0.456 144 S N -0.280 115.355 115.700 -0.108 0.000 2.382 144 S HA -0.229 4.241 4.470 -0.000 0.000 0.228 144 S C 1.751 176.310 174.600 -0.067 0.000 1.027 144 S CA 1.754 59.906 58.200 -0.080 0.000 0.991 144 S CB -0.429 62.723 63.200 -0.080 0.000 0.823 144 S HN 0.638 nan 8.310 nan 0.000 0.469 145 D N 1.332 121.692 120.400 -0.065 0.000 2.144 145 D HA 0.005 4.645 4.640 -0.000 0.000 0.199 145 D C 1.999 178.269 176.300 -0.049 0.000 0.984 145 D CA 1.278 55.250 54.000 -0.047 0.000 0.834 145 D CB -0.476 40.300 40.800 -0.039 0.000 0.955 145 D HN 0.515 nan 8.370 nan 0.000 0.465 146 A N 0.332 123.113 122.820 -0.065 0.000 2.167 146 A HA 0.140 4.460 4.320 -0.000 0.000 0.214 146 A C 1.287 178.839 177.584 -0.054 0.000 1.151 146 A CA 0.215 52.215 52.037 -0.061 0.000 0.735 146 A CB -0.350 18.604 19.000 -0.078 0.000 0.802 146 A HN 0.390 nan 8.150 nan 0.000 0.467 147 I N -7.108 113.429 120.570 -0.056 0.000 3.108 147 I HA 0.785 4.955 4.170 -0.000 0.000 0.312 147 I C 0.302 176.395 176.117 -0.040 0.000 1.095 147 I CA -0.753 60.518 61.300 -0.048 0.000 1.000 147 I CB 2.205 40.172 38.000 -0.056 0.000 1.229 147 I HN -0.142 nan 8.210 nan 0.000 0.454 148 A N 3.179 125.979 122.820 -0.034 0.000 2.431 148 A HA 0.503 4.823 4.320 -0.000 0.000 0.239 148 A C 0.546 178.115 177.584 -0.025 0.000 1.230 148 A CA -0.245 51.776 52.037 -0.026 0.000 0.928 148 A CB -0.259 18.730 19.000 -0.018 0.000 1.006 148 A HN 0.662 nan 8.150 nan 0.000 0.520 149 I N -2.577 117.972 120.570 -0.036 0.000 2.648 149 I HA 0.568 4.738 4.170 -0.000 0.000 0.304 149 I C -2.733 173.346 176.117 -0.062 0.000 1.009 149 I CA -3.019 58.257 61.300 -0.041 0.000 1.114 149 I CB 1.911 39.881 38.000 -0.050 0.000 1.293 149 I HN -0.170 nan 8.210 nan 0.000 0.449 150 P HA 0.188 nan 4.420 nan 0.000 0.268 150 P C -0.780 176.428 177.300 -0.155 0.000 1.208 150 P CA 0.275 63.320 63.100 -0.092 0.000 0.777 150 P CB 1.091 32.753 31.700 -0.064 0.000 0.875 151 I N 2.323 122.799 120.570 -0.157 0.000 2.441 151 I HA 0.396 4.566 4.170 -0.000 0.000 0.295 151 I C 0.641 176.588 176.117 -0.283 0.000 0.994 151 I CA -0.924 60.268 61.300 -0.180 0.000 1.144 151 I CB 1.729 39.653 38.000 -0.128 0.000 1.314 151 I HN 0.257 nan 8.210 nan 0.000 0.445 152 M N 7.126 126.558 119.600 -0.281 0.000 2.101 152 M HA 0.438 4.918 4.480 -0.000 0.000 0.340 152 M C -1.493 174.633 176.300 -0.291 0.000 1.057 152 M CA -0.572 54.514 55.300 -0.357 0.000 0.984 152 M CB 1.200 33.593 32.600 -0.344 0.000 1.560 152 M HN 0.289 nan 8.290 nan 0.000 0.435 153 V N 5.349 124.978 119.914 -0.475 0.000 2.461 153 V HA 0.194 4.314 4.120 -0.000 0.000 0.275 153 V C -0.066 175.978 176.094 -0.084 0.000 1.047 153 V CA -0.351 61.756 62.300 -0.322 0.000 0.955 153 V CB 1.263 32.757 31.823 -0.549 0.000 0.988 153 V HN 0.841 nan 8.190 nan 0.000 0.471 154 Q N 3.389 123.217 119.800 0.046 0.000 2.303 154 Q HA 0.281 4.621 4.340 -0.000 0.000 0.257 154 Q C -0.890 175.167 176.000 0.095 0.000 0.941 154 Q CA -0.545 55.302 55.803 0.074 0.000 0.931 154 Q CB 1.051 29.842 28.738 0.089 0.000 1.215 154 Q HN 0.797 nan 8.270 nan 0.000 0.437 155 D N 3.541 123.993 120.400 0.087 0.000 2.485 155 D HA 0.510 5.150 4.640 -0.000 0.000 0.229 155 D C -1.669 174.655 176.300 0.040 0.000 1.101 155 D CA -0.205 53.839 54.000 0.074 0.000 0.906 155 D CB 0.570 41.421 40.800 0.084 0.000 1.019 155 D HN 0.574 nan 8.370 nan 0.000 0.516 156 A N 3.880 126.709 122.820 0.015 0.000 2.498 156 A HA 0.635 4.955 4.320 -0.000 0.000 0.298 156 A C -2.099 175.455 177.584 -0.050 0.000 1.075 156 A CA -1.405 50.628 52.037 -0.006 0.000 0.714 156 A CB 1.661 20.668 19.000 0.011 0.000 1.299 156 A HN 0.320 nan 8.150 nan 0.000 0.407 157 P HA -0.095 nan 4.420 nan 0.000 0.220 157 P C 1.585 178.814 177.300 -0.118 0.000 1.148 157 P CA 1.963 65.021 63.100 -0.070 0.000 0.803 157 P CB 0.200 31.877 31.700 -0.039 0.000 0.782 158 A N 0.238 122.995 122.820 -0.105 0.000 1.978 158 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 158 A C 2.306 179.660 177.584 -0.385 0.000 1.170 158 A CA 2.290 54.249 52.037 -0.130 0.000 0.636 158 A CB -1.517 17.471 19.000 -0.020 0.000 0.810 158 A HN 0.371 nan 8.150 nan 0.000 0.448 159 S N -1.776 113.580 115.700 -0.574 0.000 2.461 159 S HA 0.299 4.769 4.470 -0.000 0.000 0.228 159 S C 1.636 175.788 174.600 -0.746 0.000 1.005 159 S CA 1.167 58.607 58.200 -1.267 0.000 0.942 159 S CB -0.667 62.101 63.200 -0.720 0.000 0.776 159 S HN 1.925 nan 8.310 nan 0.000 0.514 160 G N 0.805 109.390 108.800 -0.358 0.000 2.180 160 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.263 160 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.263 160 G C 0.128 174.945 174.900 -0.139 0.000 0.989 160 G CA 0.742 45.728 45.100 -0.190 0.000 0.692 160 G HN 0.671 nan 8.290 nan 0.000 0.526 161 T N 0.532 114.991 114.554 -0.158 0.000 2.824 161 T HA 0.691 5.041 4.350 -0.000 0.000 0.280 161 T C 0.371 175.042 174.700 -0.047 0.000 0.995 161 T CA 0.345 62.397 62.100 -0.081 0.000 1.009 161 T CB 1.852 70.684 68.868 -0.060 0.000 0.955 161 T HN 1.194 nan 8.240 nan 0.000 0.452 162 A N 3.734 126.533 122.820 -0.035 0.000 2.276 162 A HA 0.640 4.960 4.320 -0.000 0.000 0.300 162 A C -0.202 177.387 177.584 0.008 0.000 1.235 162 A CA -0.516 51.510 52.037 -0.018 0.000 0.867 162 A CB -0.178 18.804 19.000 -0.030 0.000 1.137 162 A HN 0.867 nan 8.150 nan 0.000 0.527 163 L N 4.023 125.285 121.223 0.065 0.000 2.387 163 L HA 0.234 4.574 4.340 -0.000 0.000 0.259 163 L C 0.779 177.741 176.870 0.154 0.000 1.050 163 L CA -0.473 54.471 54.840 0.174 0.000 0.922 163 L CB 0.953 43.150 42.059 0.229 0.000 1.280 163 L HN 0.875 nan 8.230 nan 0.000 0.449 164 S N 0.782 116.564 115.700 0.136 0.000 2.569 164 S HA 0.161 4.631 4.470 -0.000 0.000 0.274 164 S C 1.428 176.089 174.600 0.101 0.000 1.353 164 S CA 0.101 58.360 58.200 0.098 0.000 1.023 164 S CB 1.490 64.739 63.200 0.083 0.000 0.876 164 S HN 0.582 nan 8.310 nan 0.000 0.540 165 A N 1.935 124.773 122.820 0.030 0.000 1.933 165 A HA 0.092 4.412 4.320 -0.000 0.000 0.218 165 A C -0.364 177.209 177.584 -0.019 0.000 1.175 165 A CA 1.315 53.333 52.037 -0.032 0.000 0.628 165 A CB -2.000 16.969 19.000 -0.052 0.000 0.814 165 A HN 0.742 nan 8.150 nan 0.000 0.444 166 P HA -0.103 nan 4.420 nan 0.000 0.216 166 P C 1.486 178.853 177.300 0.111 0.000 1.153 166 P CA 0.800 63.932 63.100 0.053 0.000 0.844 166 P CB -0.125 31.615 31.700 0.067 0.000 0.787 167 F N -0.044 119.920 119.950 0.022 0.000 2.146 167 F HA -0.150 4.377 4.527 -0.000 0.000 0.298 167 F C 1.938 177.788 175.800 0.083 0.000 1.096 167 F CA 1.243 59.287 58.000 0.074 0.000 1.275 167 F CB -0.557 38.494 39.000 0.085 0.000 1.008 167 F HN -0.267 nan 8.300 nan 0.000 0.480 168 L N 0.061 121.271 121.223 -0.022 0.000 2.046 168 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 168 L C 2.830 179.598 176.870 -0.170 0.000 1.077 168 L CA 1.205 55.976 54.840 -0.114 0.000 0.747 168 L CB -1.114 40.866 42.059 -0.132 0.000 0.896 168 L HN 0.256 nan 8.230 nan 0.000 0.432 169 A N -0.154 122.557 122.820 -0.182 0.000 1.933 169 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 169 A C 2.406 179.947 177.584 -0.072 0.000 1.175 169 A CA 1.681 53.624 52.037 -0.156 0.000 0.628 169 A CB -0.535 18.391 19.000 -0.125 0.000 0.814 169 A HN 0.342 nan 8.150 nan 0.000 0.444 170 R N -0.881 119.587 120.500 -0.053 0.000 2.075 170 R HA -0.038 4.302 4.340 -0.000 0.000 0.232 170 R C 2.155 178.470 176.300 0.025 0.000 1.126 170 R CA 1.655 57.763 56.100 0.014 0.000 0.963 170 R CB -0.287 30.057 30.300 0.073 0.000 0.858 170 R HN 0.538 nan 8.270 nan 0.000 0.435 171 M N -0.262 119.257 119.600 -0.135 0.000 2.159 171 M HA -0.104 4.376 4.480 -0.000 0.000 0.263 171 M C 2.407 178.627 176.300 -0.134 0.000 1.063 171 M CA 1.681 56.834 55.300 -0.245 0.000 1.110 171 M CB -0.238 32.074 32.600 -0.480 0.000 1.374 171 M HN 0.305 nan 8.290 nan 0.000 0.411 172 A N 0.587 123.398 122.820 -0.016 0.000 1.933 172 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 172 A C 2.153 179.737 177.584 0.000 0.000 1.175 172 A CA 1.395 53.460 52.037 0.047 0.000 0.628 172 A CB -0.512 18.595 19.000 0.178 0.000 0.814 172 A HN 0.463 nan 8.150 nan 0.000 0.444 173 R N -0.788 119.714 120.500 0.003 0.000 2.161 173 R HA 0.023 4.363 4.340 -0.000 0.000 0.213 173 R C 1.376 177.695 176.300 0.031 0.000 1.055 173 R CA 1.288 57.395 56.100 0.012 0.000 0.996 173 R CB -0.051 30.258 30.300 0.015 0.000 0.901 173 R HN 0.625 nan 8.270 nan 0.000 0.456 174 E N -0.045 120.190 120.200 0.058 0.000 2.447 174 E HA 0.188 4.538 4.350 -0.000 0.000 0.204 174 E C -0.016 176.617 176.600 0.056 0.000 0.977 174 E CA 0.058 56.526 56.400 0.113 0.000 0.950 174 E CB 0.751 30.623 29.700 0.287 0.000 0.975 174 E HN 0.145 nan 8.360 nan 0.000 0.496 175 I N 1.604 122.138 120.570 -0.060 0.000 2.355 175 I HA 0.083 4.253 4.170 -0.000 0.000 0.288 175 I C 1.273 177.336 176.117 -0.090 0.000 0.999 175 I CA -0.234 60.991 61.300 -0.126 0.000 1.163 175 I CB 1.617 39.442 38.000 -0.291 0.000 1.316 175 I HN 0.028 nan 8.210 nan 0.000 0.454 176 E N 4.364 124.530 120.200 -0.057 0.000 2.068 176 E HA -0.286 4.064 4.350 -0.000 0.000 0.207 176 E C 1.335 177.900 176.600 -0.058 0.000 1.032 176 E CA 1.923 58.297 56.400 -0.044 0.000 0.839 176 E CB 0.269 29.951 29.700 -0.030 0.000 0.758 176 E HN 0.598 nan 8.360 nan 0.000 0.457 177 Q N -0.220 119.536 119.800 -0.074 0.000 2.378 177 Q HA 0.039 4.379 4.340 -0.000 0.000 0.205 177 Q C 0.269 176.194 176.000 -0.125 0.000 0.954 177 Q CA 0.246 56.001 55.803 -0.080 0.000 0.901 177 Q CB 0.313 29.005 28.738 -0.076 0.000 0.981 177 Q HN 0.158 nan 8.270 nan 0.000 0.483 178 V N 1.808 121.617 119.914 -0.175 0.000 2.403 178 V HA 0.180 4.300 4.120 -0.000 0.000 0.265 178 V C 0.807 176.747 176.094 -0.257 0.000 1.034 178 V CA 0.706 62.828 62.300 -0.298 0.000 1.036 178 V CB 0.407 32.019 31.823 -0.352 0.000 1.032 178 V HN 0.233 nan 8.190 nan 0.000 0.478 179 A N 4.448 127.087 122.820 -0.302 0.000 2.591 179 A HA 0.412 4.732 4.320 -0.000 0.000 0.204 179 A C 0.021 177.335 177.584 -0.450 0.000 1.410 179 A CA 0.049 51.953 52.037 -0.222 0.000 1.065 179 A CB 0.483 19.439 19.000 -0.073 0.000 1.362 179 A HN 0.563 nan 8.150 nan 0.000 0.566 180 Y N -1.123 118.749 120.300 -0.714 0.000 2.509 180 Y HA 0.732 5.282 4.550 -0.000 0.000 0.341 180 Y C -0.790 174.468 175.900 -1.069 0.000 1.038 180 Y CA -1.466 56.187 58.100 -0.745 0.000 1.089 180 Y CB 1.482 39.455 38.460 -0.812 0.000 1.241 180 Y HN 0.117 nan 8.280 nan 0.000 0.468 181 F N 0.898 120.669 119.950 -0.299 0.000 2.569 181 F HA 0.433 4.960 4.527 -0.000 0.000 0.312 181 F C -0.394 175.339 175.800 -0.112 0.000 1.109 181 F CA -1.352 56.536 58.000 -0.187 0.000 0.919 181 F CB 2.055 40.964 39.000 -0.151 0.000 1.211 181 F HN 0.177 nan 8.300 nan 0.000 0.446 182 K N 4.274 124.735 120.400 0.102 0.000 2.419 182 K HA 0.442 4.762 4.320 -0.000 0.000 0.244 182 K C -1.199 175.469 176.600 0.113 0.000 1.045 182 K CA -0.388 55.972 56.287 0.121 0.000 1.004 182 K CB 0.361 32.907 32.500 0.077 0.000 1.376 182 K HN 0.518 nan 8.250 nan 0.000 0.460 183 I N 4.325 124.964 120.570 0.115 0.000 2.308 183 I HA 0.095 4.265 4.170 -0.000 0.000 0.293 183 I C 0.417 176.561 176.117 0.046 0.000 1.078 183 I CA 0.326 61.668 61.300 0.071 0.000 1.292 183 I CB 0.790 38.818 38.000 0.047 0.000 1.423 183 I HN 0.710 nan 8.210 nan 0.000 0.493 184 E N 3.155 123.376 120.200 0.034 0.000 2.624 184 E HA 0.071 4.421 4.350 -0.000 0.000 0.210 184 E C 0.285 176.890 176.600 0.008 0.000 0.997 184 E CA -0.103 56.306 56.400 0.016 0.000 0.999 184 E CB 0.797 30.503 29.700 0.010 0.000 1.040 184 E HN 0.675 nan 8.360 nan 0.000 0.469 185 T N -0.333 114.226 114.554 0.009 0.000 2.902 185 T HA 0.339 4.689 4.350 -0.000 0.000 0.280 185 T C -2.313 172.387 174.700 0.000 0.000 0.992 185 T CA -1.946 60.155 62.100 0.001 0.000 1.015 185 T CB 1.069 69.938 68.868 0.000 0.000 1.044 185 T HN -0.182 nan 8.240 nan 0.000 0.520 186 P HA 0.232 nan 4.420 nan 0.000 0.265 186 P C 0.777 178.075 177.300 -0.004 0.000 1.193 186 P CA 0.578 63.677 63.100 -0.002 0.000 0.765 186 P CB 0.092 31.791 31.700 -0.003 0.000 0.823 187 G N 2.564 111.362 108.800 -0.004 0.000 2.248 187 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.263 187 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.263 187 G C 0.985 175.878 174.900 -0.012 0.000 1.082 187 G CA 0.187 45.282 45.100 -0.008 0.000 0.863 187 G HN 0.719 nan 8.290 nan 0.000 0.495 188 A N -0.238 122.576 122.820 -0.010 0.000 1.940 188 A HA 0.266 4.586 4.320 -0.000 0.000 0.219 188 A C 2.853 180.423 177.584 -0.024 0.000 1.176 188 A CA 2.668 54.697 52.037 -0.012 0.000 0.631 188 A CB -0.736 18.260 19.000 -0.006 0.000 0.814 188 A HN 1.977 nan 8.150 nan 0.000 0.446 189 A N 0.458 123.260 122.820 -0.030 0.000 1.883 189 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 189 A C 1.949 179.513 177.584 -0.033 0.000 1.186 189 A CA 1.832 53.845 52.037 -0.040 0.000 0.624 189 A CB -0.661 18.311 19.000 -0.047 0.000 0.822 189 A HN 0.580 nan 8.150 nan 0.000 0.444 190 N N -0.275 118.408 118.700 -0.027 0.000 2.120 190 N HA -0.154 4.586 4.740 -0.000 0.000 0.188 190 N C 1.699 177.192 175.510 -0.029 0.000 1.024 190 N CA 1.630 54.665 53.050 -0.025 0.000 0.852 190 N CB -0.350 38.126 38.487 -0.020 0.000 1.003 190 N HN 0.671 nan 8.380 nan 0.000 0.424 191 K N 1.081 121.463 120.400 -0.030 0.000 2.057 191 K HA 0.012 4.332 4.320 -0.000 0.000 0.206 191 K C 2.129 178.693 176.600 -0.060 0.000 1.050 191 K CA 0.641 56.905 56.287 -0.039 0.000 0.935 191 K CB -0.092 32.389 32.500 -0.030 0.000 0.715 191 K HN 0.038 nan 8.250 nan 0.000 0.439 192 L N 0.476 121.667 121.223 -0.053 0.000 2.042 192 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 192 L C 2.788 179.618 176.870 -0.065 0.000 1.076 192 L CA 1.417 56.218 54.840 -0.064 0.000 0.749 192 L CB -0.373 41.661 42.059 -0.041 0.000 0.893 192 L HN 0.248 nan 8.230 nan 0.000 0.432 193 R N -0.212 120.260 120.500 -0.046 0.000 2.081 193 R HA -0.176 4.164 4.340 -0.000 0.000 0.235 193 R C 2.274 178.547 176.300 -0.045 0.000 1.131 193 R CA 1.285 57.365 56.100 -0.034 0.000 0.960 193 R CB 0.002 30.290 30.300 -0.019 0.000 0.856 193 R HN 0.255 nan 8.270 nan 0.000 0.436 194 E N 0.601 120.770 120.200 -0.051 0.000 2.072 194 E HA -0.178 4.171 4.350 -0.000 0.000 0.191 194 E C 1.950 178.498 176.600 -0.086 0.000 0.985 194 E CA 0.839 57.206 56.400 -0.055 0.000 0.801 194 E CB -0.259 29.413 29.700 -0.046 0.000 0.750 194 E HN 0.238 nan 8.360 nan 0.000 0.452 195 L N 1.114 122.262 121.223 -0.126 0.000 2.012 195 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 195 L C 2.214 178.968 176.870 -0.194 0.000 1.073 195 L CA 1.516 56.230 54.840 -0.210 0.000 0.748 195 L CB -0.482 41.389 42.059 -0.313 0.000 0.891 195 L HN 0.070 nan 8.230 nan 0.000 0.431 196 I N -0.876 119.609 120.570 -0.141 0.000 2.252 196 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 196 I C 2.731 178.804 176.117 -0.074 0.000 1.102 196 I CA 1.352 62.590 61.300 -0.103 0.000 1.385 196 I CB -0.370 37.593 38.000 -0.063 0.000 1.064 196 I HN 0.311 nan 8.210 nan 0.000 0.414 197 R N 0.892 121.355 120.500 -0.061 0.000 2.075 197 R HA -0.163 4.177 4.340 -0.000 0.000 0.232 197 R C 2.156 178.428 176.300 -0.046 0.000 1.126 197 R CA 1.489 57.564 56.100 -0.042 0.000 0.963 197 R CB -0.012 30.270 30.300 -0.031 0.000 0.858 197 R HN 0.195 nan 8.270 nan 0.000 0.435 198 L N -0.730 120.457 121.223 -0.061 0.000 2.270 198 L HA 0.126 4.466 4.340 -0.000 0.000 0.210 198 L C 2.204 179.034 176.870 -0.066 0.000 1.104 198 L CA 1.723 56.529 54.840 -0.056 0.000 0.804 198 L CB -0.403 41.621 42.059 -0.058 0.000 0.937 198 L HN 0.342 nan 8.230 nan 0.000 0.450 199 G N -1.979 106.763 108.800 -0.096 0.000 2.796 199 G HA2 0.389 4.349 3.960 -0.000 0.000 0.210 199 G HA3 0.389 4.349 3.960 -0.000 0.000 0.210 199 G C 1.052 175.912 174.900 -0.067 0.000 1.146 199 G CA 0.510 45.553 45.100 -0.096 0.000 0.779 199 G HN 0.537 nan 8.290 nan 0.000 0.535 200 G N 1.497 110.261 108.800 -0.060 0.000 2.582 200 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.288 200 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.288 200 G C 0.754 175.629 174.900 -0.041 0.000 1.247 200 G CA 0.920 45.995 45.100 -0.041 0.000 0.972 200 G HN 0.683 nan 8.290 nan 0.000 0.557 201 D N 0.694 121.076 120.400 -0.030 0.000 2.378 201 D HA 0.414 5.054 4.640 -0.000 0.000 0.227 201 D C 2.106 178.385 176.300 -0.036 0.000 1.012 201 D CA 1.694 55.677 54.000 -0.030 0.000 0.905 201 D CB -0.288 40.501 40.800 -0.019 0.000 0.895 201 D HN 0.939 nan 8.370 nan 0.000 0.532 202 A N 0.551 123.351 122.820 -0.034 0.000 2.119 202 A HA 0.085 4.405 4.320 -0.000 0.000 0.216 202 A C 1.000 178.572 177.584 -0.020 0.000 1.152 202 A CA 0.190 52.212 52.037 -0.026 0.000 0.708 202 A CB -0.232 18.758 19.000 -0.017 0.000 0.805 202 A HN 0.241 nan 8.150 nan 0.000 0.460 203 I N 1.225 121.768 120.570 -0.045 0.000 2.243 203 I HA 0.094 4.264 4.170 -0.000 0.000 0.297 203 I C 1.118 177.172 176.117 -0.104 0.000 1.161 203 I CA 0.241 61.514 61.300 -0.047 0.000 1.298 203 I CB -0.328 37.594 38.000 -0.131 0.000 1.475 203 I HN 0.520 nan 8.210 nan 0.000 0.561 204 E N 4.364 124.440 120.200 -0.206 0.000 2.112 204 E HA -0.011 4.339 4.350 -0.000 0.000 0.190 204 E C 1.062 177.328 176.600 -0.557 0.000 0.979 204 E CA 0.431 56.617 56.400 -0.356 0.000 0.814 204 E CB 0.409 29.852 29.700 -0.428 0.000 0.762 204 E HN 0.687 nan 8.360 nan 0.000 0.460 205 G N 2.543 110.853 108.800 -0.816 0.000 4.138 205 G HA2 0.247 4.207 3.960 -0.000 0.000 0.335 205 G HA3 0.247 4.207 3.960 -0.000 0.000 0.335 205 G C -2.770 171.994 174.900 -0.227 0.000 1.517 205 G CA -1.041 43.616 45.100 -0.737 0.000 0.960 205 G HN 0.053 nan 8.290 nan 0.000 0.493 206 P HA 0.206 nan 4.420 nan 0.000 0.274 206 P C -0.886 176.666 177.300 0.420 0.000 1.470 206 P CA -0.361 62.839 63.100 0.165 0.000 1.001 206 P CB 0.695 32.425 31.700 0.049 0.000 1.332 207 W N 2.999 124.319 121.300 0.034 0.000 2.655 207 W HA 0.357 5.017 4.660 -0.000 0.000 0.358 207 W C 0.512 177.029 176.519 -0.004 0.000 1.100 207 W CA -0.485 56.865 57.345 0.008 0.000 1.195 207 W CB 0.834 30.303 29.460 0.014 0.000 1.403 207 W HN 0.292 nan 8.180 nan 0.000 0.589 208 D N -1.172 119.345 120.400 0.195 0.000 2.621 208 D HA 0.794 5.434 4.640 -0.000 0.000 0.255 208 D C 0.150 176.493 176.300 0.072 0.000 1.122 208 D CA -0.567 53.486 54.000 0.089 0.000 1.096 208 D CB 1.579 42.385 40.800 0.010 0.000 1.282 208 D HN 0.440 nan 8.370 nan 0.000 0.619 209 G N -1.452 107.361 108.800 0.022 0.000 3.433 209 G HA2 0.307 4.267 3.960 -0.000 0.000 0.173 209 G HA3 0.307 4.267 3.960 -0.000 0.000 0.173 209 G C -0.760 174.106 174.900 -0.056 0.000 1.196 209 G CA -0.292 44.797 45.100 -0.020 0.000 1.062 209 G HN 0.575 nan 8.290 nan 0.000 0.699 210 E N 0.384 120.526 120.200 -0.096 0.000 2.328 210 E HA -0.238 4.112 4.350 -0.000 0.000 0.233 210 E C -0.013 176.537 176.600 -0.083 0.000 1.219 210 E CA 0.728 57.071 56.400 -0.094 0.000 0.717 210 E CB -0.763 28.923 29.700 -0.024 0.000 1.210 210 E HN 0.554 nan 8.360 nan 0.000 0.381 211 E N -3.289 116.814 120.200 -0.161 0.000 3.065 211 E HA -0.330 4.020 4.350 -0.000 0.000 0.277 211 E C 0.421 177.013 176.600 -0.014 0.000 1.008 211 E CA 1.547 57.885 56.400 -0.103 0.000 0.864 211 E CB -1.727 27.967 29.700 -0.011 0.000 1.439 211 E HN 1.018 nan 8.360 nan 0.000 0.445 212 A N -1.596 121.220 122.820 -0.007 0.000 3.141 212 A HA -0.286 4.034 4.320 -0.000 0.000 0.242 212 A C 1.363 179.024 177.584 0.128 0.000 1.313 212 A CA 0.955 53.019 52.037 0.045 0.000 1.060 212 A CB -2.223 16.807 19.000 0.051 0.000 1.153 212 A HN 0.489 nan 8.150 nan 0.000 0.847 213 I N 0.822 121.455 120.570 0.105 0.000 2.264 213 I HA -0.107 4.063 4.170 -0.000 0.000 0.248 213 I C 2.090 178.313 176.117 0.177 0.000 1.111 213 I CA 3.000 64.382 61.300 0.135 0.000 1.382 213 I CB -0.056 37.998 38.000 0.090 0.000 1.060 213 I HN 0.891 nan 8.210 nan 0.000 0.418 214 T N -2.245 112.373 114.554 0.106 0.000 3.215 214 T HA 0.194 4.544 4.350 -0.000 0.000 0.271 214 T C 1.725 176.406 174.700 -0.032 0.000 1.012 214 T CA -0.210 61.929 62.100 0.065 0.000 0.899 214 T CB -0.538 68.342 68.868 0.020 0.000 1.089 214 T HN 0.280 nan 8.240 nan 0.000 0.552 215 L N 0.265 121.479 121.223 -0.014 0.000 1.978 215 L HA -0.124 4.216 4.340 -0.000 0.000 0.218 215 L C 2.354 178.989 176.870 -0.392 0.000 1.075 215 L CA 1.729 56.474 54.840 -0.157 0.000 0.767 215 L CB -0.409 41.621 42.059 -0.049 0.000 0.890 215 L HN 0.378 nan 8.230 nan 0.000 0.434 216 L N -0.146 120.657 121.223 -0.700 0.000 2.046 216 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 216 L C 2.592 179.235 176.870 -0.378 0.000 1.077 216 L CA 2.128 56.540 54.840 -0.713 0.000 0.747 216 L CB -0.750 40.692 42.059 -1.028 0.000 0.896 216 L HN 0.268 nan 8.230 nan 0.000 0.432 217 A N -1.110 121.566 122.820 -0.240 0.000 1.930 217 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 217 A C 1.950 179.442 177.584 -0.154 0.000 1.175 217 A CA 1.712 53.674 52.037 -0.126 0.000 0.627 217 A CB -0.686 18.259 19.000 -0.091 0.000 0.815 217 A HN 0.518 nan 8.150 nan 0.000 0.443 218 D N 0.147 120.424 120.400 -0.204 0.000 2.144 218 D HA -0.088 4.552 4.640 -0.000 0.000 0.200 218 D C 1.918 178.036 176.300 -0.303 0.000 0.978 218 D CA 0.873 54.758 54.000 -0.192 0.000 0.833 218 D CB -0.318 40.392 40.800 -0.151 0.000 0.961 218 D HN 0.452 nan 8.370 nan 0.000 0.470 219 L N 0.349 121.235 121.223 -0.560 0.000 2.083 219 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 219 L C 2.484 178.796 176.870 -0.929 0.000 1.083 219 L CA 0.982 55.243 54.840 -0.964 0.000 0.752 219 L CB -0.435 40.607 42.059 -1.695 0.000 0.899 219 L HN 0.182 nan 8.230 nan 0.000 0.433 220 H N -0.303 118.280 119.070 -0.811 0.000 2.421 220 H HA -0.088 4.468 4.556 -0.000 0.000 0.298 220 H C 2.120 177.394 175.328 -0.090 0.000 1.087 220 H CA 1.455 57.335 56.048 -0.280 0.000 1.330 220 H CB 0.195 29.853 29.762 -0.173 0.000 1.388 220 H HN 0.356 nan 8.280 nan 0.000 0.526 221 A N -0.227 122.578 122.820 -0.025 0.000 2.206 221 A HA 0.225 4.545 4.320 -0.000 0.000 0.211 221 A C 1.944 179.520 177.584 -0.014 0.000 1.158 221 A CA 1.113 53.143 52.037 -0.012 0.000 0.761 221 A CB -0.048 18.929 19.000 -0.040 0.000 0.801 221 A HN 0.533 nan 8.150 nan 0.000 0.473 222 G N -2.410 106.370 108.800 -0.033 0.000 2.175 222 G HA2 0.186 4.146 3.960 -0.000 0.000 0.182 222 G HA3 0.186 4.146 3.960 -0.000 0.000 0.182 222 G C 0.359 175.250 174.900 -0.015 0.000 1.003 222 G CA 0.028 45.130 45.100 0.004 0.000 0.666 222 G HN 1.468 nan 8.290 nan 0.000 0.506 223 A N 0.588 123.363 122.820 -0.076 0.000 2.511 223 A HA 0.619 4.939 4.320 -0.000 0.000 0.242 223 A C 1.474 179.030 177.584 -0.048 0.000 1.069 223 A CA 1.682 53.694 52.037 -0.042 0.000 0.763 223 A CB 0.283 19.226 19.000 -0.095 0.000 1.001 223 A HN 1.538 nan 8.150 nan 0.000 0.498 224 T N -0.509 114.061 114.554 0.026 0.000 3.040 224 T HA 0.519 4.869 4.350 -0.000 0.000 0.266 224 T C 0.550 175.099 174.700 -0.251 0.000 1.005 224 T CA 0.416 62.511 62.100 -0.008 0.000 0.906 224 T CB 0.066 69.008 68.868 0.123 0.000 1.082 224 T HN 1.524 nan 8.240 nan 0.000 0.531 225 G N -0.014 108.448 108.800 -0.564 0.000 2.704 225 G HA2 0.690 4.650 3.960 -0.000 0.000 0.293 225 G HA3 0.690 4.650 3.960 -0.000 0.000 0.293 225 G C -1.885 172.568 174.900 -0.746 0.000 1.421 225 G CA -0.515 43.809 45.100 -1.294 0.000 0.870 225 G HN 0.601 nan 8.290 nan 0.000 0.492 226 A N 0.808 123.277 122.820 -0.584 0.000 2.408 226 A HA 0.730 5.050 4.320 -0.000 0.000 0.295 226 A C -0.705 176.811 177.584 -0.114 0.000 1.040 226 A CA -0.524 51.379 52.037 -0.223 0.000 0.707 226 A CB 1.705 20.602 19.000 -0.173 0.000 1.235 226 A HN 0.993 nan 8.150 nan 0.000 0.418 227 M N 3.961 123.573 119.600 0.020 0.000 2.055 227 M HA 0.438 4.918 4.480 -0.000 0.000 0.347 227 M C 0.233 176.503 176.300 -0.050 0.000 1.123 227 M CA 0.021 55.355 55.300 0.058 0.000 1.035 227 M CB 0.603 33.289 32.600 0.143 0.000 1.484 227 M HN 0.931 nan 8.290 nan 0.000 0.428 228 T N 1.548 116.045 114.554 -0.094 0.000 2.819 228 T HA 0.830 5.180 4.350 -0.000 0.000 0.271 228 T C 0.501 175.095 174.700 -0.178 0.000 0.986 228 T CA -0.655 61.345 62.100 -0.165 0.000 0.989 228 T CB 1.017 69.764 68.868 -0.201 0.000 1.396 228 T HN 0.650 nan 8.240 nan 0.000 0.597 229 G N -1.222 107.455 108.800 -0.206 0.000 2.539 229 G HA2 0.462 4.422 3.960 -0.000 0.000 0.258 229 G HA3 0.462 4.422 3.960 -0.000 0.000 0.258 229 G C 0.813 175.621 174.900 -0.153 0.000 1.202 229 G CA -0.465 44.591 45.100 -0.073 0.000 0.851 229 G HN 1.092 nan 8.290 nan 0.000 0.556 230 G N -0.687 108.098 108.800 -0.026 0.000 3.233 230 G HA2 0.295 4.255 3.960 -0.000 0.000 0.227 230 G HA3 0.295 4.255 3.960 -0.000 0.000 0.227 230 G C 1.273 176.219 174.900 0.076 0.000 1.175 230 G CA 0.842 45.924 45.100 -0.030 0.000 0.781 230 G HN 0.867 nan 8.290 nan 0.000 0.542 231 G N 0.894 109.719 108.800 0.042 0.000 2.430 231 G HA2 0.146 4.106 3.960 -0.000 0.000 0.216 231 G HA3 0.146 4.106 3.960 -0.000 0.000 0.216 231 G C 0.622 175.792 174.900 0.451 0.000 1.146 231 G CA 0.709 45.966 45.100 0.261 0.000 0.793 231 G HN 0.643 nan 8.290 nan 0.000 0.537 232 F N -1.867 118.199 119.950 0.193 0.000 2.599 232 F HA 0.431 4.958 4.527 0.000 0.000 0.367 232 F C -2.066 173.692 175.800 -0.069 0.000 1.517 232 F CA -2.603 55.480 58.000 0.138 0.000 1.090 232 F CB 0.620 39.758 39.000 0.230 0.000 1.758 232 F HN -0.153 nan 8.300 nan 0.000 0.550 233 P HA -0.165 nan 4.420 nan 0.000 0.225 233 P C 0.844 178.013 177.300 -0.219 0.000 1.148 233 P CA 1.485 64.440 63.100 -0.242 0.000 0.779 233 P CB 0.254 31.797 31.700 -0.261 0.000 0.780 234 D N -0.091 120.209 120.400 -0.166 0.000 2.264 234 D HA -0.082 4.558 4.640 -0.000 0.000 0.208 234 D C 2.037 178.144 176.300 -0.321 0.000 0.966 234 D CA 1.243 55.148 54.000 -0.159 0.000 0.864 234 D CB -1.185 39.596 40.800 -0.032 0.000 0.933 234 D HN 0.197 nan 8.370 nan 0.000 0.499 235 G N 0.429 108.862 108.800 -0.611 0.000 2.603 235 G HA2 0.087 4.047 3.960 -0.000 0.000 0.214 235 G HA3 0.087 4.047 3.960 -0.000 0.000 0.214 235 G C 1.765 176.003 174.900 -1.104 0.000 1.140 235 G CA -0.056 44.055 45.100 -1.649 0.000 0.800 235 G HN 0.276 nan 8.290 nan 0.000 0.533 236 I N -0.474 119.797 120.570 -0.497 0.000 2.628 236 I HA 0.096 4.266 4.170 -0.000 0.000 0.255 236 I C 2.635 178.640 176.117 -0.187 0.000 1.119 236 I CA 0.123 61.268 61.300 -0.258 0.000 1.448 236 I CB -0.142 37.768 38.000 -0.150 0.000 1.133 236 I HN 0.033 nan 8.210 nan 0.000 0.438 237 R N 1.606 121.992 120.500 -0.191 0.000 2.119 237 R HA -0.194 4.146 4.340 -0.000 0.000 0.246 237 R C -0.550 175.698 176.300 -0.086 0.000 1.146 237 R CA 2.165 58.185 56.100 -0.134 0.000 0.962 237 R CB -1.185 29.033 30.300 -0.135 0.000 0.863 237 R HN 0.197 nan 8.270 nan 0.000 0.442 238 P HA -0.165 nan 4.420 nan 0.000 0.217 238 P C 0.933 178.246 177.300 0.021 0.000 1.148 238 P CA 1.383 64.468 63.100 -0.026 0.000 0.828 238 P CB -0.044 31.640 31.700 -0.025 0.000 0.783 239 I N -1.820 118.757 120.570 0.012 0.000 2.179 239 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 239 I C 1.998 178.166 176.117 0.085 0.000 1.088 239 I CA 1.391 62.734 61.300 0.072 0.000 1.357 239 I CB -0.730 37.311 38.000 0.068 0.000 1.051 239 I HN -0.103 nan 8.210 nan 0.000 0.409 240 L N 0.177 121.414 121.223 0.023 0.000 2.093 240 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 240 L C 2.544 179.472 176.870 0.097 0.000 1.085 240 L CA 1.489 56.351 54.840 0.036 0.000 0.755 240 L CB -0.667 41.365 42.059 -0.046 0.000 0.904 240 L HN 0.167 nan 8.230 nan 0.000 0.435 241 E N -0.130 120.106 120.200 0.059 0.000 2.072 241 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 241 E C 2.374 179.023 176.600 0.082 0.000 0.985 241 E CA 1.326 57.760 56.400 0.057 0.000 0.801 241 E CB -0.347 29.369 29.700 0.026 0.000 0.750 241 E HN 0.463 nan 8.360 nan 0.000 0.452 242 A N 1.447 124.329 122.820 0.104 0.000 1.902 242 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 242 A C 2.036 179.700 177.584 0.133 0.000 1.181 242 A CA 1.129 53.231 52.037 0.108 0.000 0.623 242 A CB -1.028 18.052 19.000 0.133 0.000 0.818 242 A HN 0.461 nan 8.150 nan 0.000 0.443 243 W N 0.742 122.061 121.300 0.032 0.000 2.358 243 W HA -0.137 4.523 4.660 -0.000 0.000 0.303 243 W C 2.317 178.870 176.519 0.056 0.000 1.208 243 W CA 1.769 59.142 57.345 0.047 0.000 1.274 243 W CB -0.289 29.132 29.460 -0.066 0.000 1.138 243 W HN 0.386 nan 8.180 nan 0.000 0.515 244 R N 0.690 121.300 120.500 0.183 0.000 2.096 244 R HA -0.177 4.163 4.340 -0.000 0.000 0.235 244 R C 1.959 178.257 176.300 -0.003 0.000 1.127 244 R CA 1.955 58.113 56.100 0.097 0.000 0.968 244 R CB -0.401 29.954 30.300 0.092 0.000 0.861 244 R HN 0.195 nan 8.270 nan 0.000 0.440 245 E N -1.184 119.007 120.200 -0.016 0.000 2.478 245 E HA 0.007 4.357 4.350 -0.000 0.000 0.198 245 E C 0.733 177.258 176.600 -0.125 0.000 1.046 245 E CA 0.480 56.849 56.400 -0.050 0.000 0.870 245 E CB 0.284 29.967 29.700 -0.027 0.000 0.818 245 E HN 0.633 nan 8.360 nan 0.000 0.527 246 G N 2.027 110.702 108.800 -0.209 0.000 2.136 246 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.242 246 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.242 246 G C 0.169 174.782 174.900 -0.480 0.000 0.989 246 G CA -0.219 44.644 45.100 -0.395 0.000 0.682 246 G HN 0.162 nan 8.290 nan 0.000 0.522 247 R N 0.276 120.621 120.500 -0.258 0.000 2.937 247 R HA 0.318 4.658 4.340 -0.000 0.000 0.264 247 R C 0.920 177.207 176.300 -0.022 0.000 1.334 247 R CA -0.683 55.322 56.100 -0.159 0.000 1.516 247 R CB 0.141 30.412 30.300 -0.049 0.000 1.187 247 R HN 0.338 nan 8.270 nan 0.000 0.609 248 H N 0.633 119.563 119.070 -0.234 0.000 2.421 248 H HA -0.099 4.457 4.556 -0.000 0.000 0.298 248 H C 1.011 176.406 175.328 0.111 0.000 1.087 248 H CA 1.119 57.082 56.048 -0.142 0.000 1.330 248 H CB 0.326 29.926 29.762 -0.269 0.000 1.388 248 H HN 0.399 nan 8.280 nan 0.000 0.526 249 D N 0.115 120.627 120.400 0.186 0.000 2.149 249 D HA -0.113 4.527 4.640 -0.000 0.000 0.201 249 D C 1.940 178.380 176.300 0.233 0.000 0.972 249 D CA 1.034 55.147 54.000 0.190 0.000 0.835 249 D CB -0.280 40.576 40.800 0.094 0.000 0.966 249 D HN 0.405 nan 8.370 nan 0.000 0.476 250 D N 0.279 120.782 120.400 0.173 0.000 2.144 250 D HA -0.052 4.588 4.640 -0.000 0.000 0.200 250 D C 1.968 178.401 176.300 0.221 0.000 0.978 250 D CA 1.334 55.435 54.000 0.169 0.000 0.833 250 D CB 0.054 40.920 40.800 0.110 0.000 0.961 250 D HN 0.060 nan 8.370 nan 0.000 0.470 251 A N -0.482 122.493 122.820 0.259 0.000 1.883 251 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 251 A C 2.222 179.997 177.584 0.318 0.000 1.186 251 A CA 1.611 53.823 52.037 0.292 0.000 0.624 251 A CB -1.383 17.863 19.000 0.409 0.000 0.822 251 A HN 0.533 nan 8.150 nan 0.000 0.444 252 Y N 0.630 121.084 120.300 0.256 0.000 2.181 252 Y HA -0.117 4.433 4.550 -0.000 0.000 0.288 252 Y C 2.635 178.700 175.900 0.275 0.000 1.146 252 Y CA 1.395 59.666 58.100 0.284 0.000 1.164 252 Y CB -0.501 38.106 38.460 0.245 0.000 0.982 252 Y HN 0.314 nan 8.280 nan 0.000 0.515 253 A N 0.616 123.646 122.820 0.351 0.000 1.908 253 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 253 A C 2.280 179.957 177.584 0.155 0.000 1.181 253 A CA 1.978 54.155 52.037 0.233 0.000 0.627 253 A CB -0.605 18.531 19.000 0.227 0.000 0.818 253 A HN 0.562 nan 8.150 nan 0.000 0.445 254 R N -2.422 118.199 120.500 0.201 0.000 2.090 254 R HA -0.081 4.259 4.340 -0.000 0.000 0.228 254 R C 2.164 178.633 176.300 0.281 0.000 1.110 254 R CA 1.408 57.656 56.100 0.246 0.000 0.973 254 R CB -0.481 29.945 30.300 0.209 0.000 0.869 254 R HN 0.667 nan 8.270 nan 0.000 0.440 255 Y N 2.019 122.354 120.300 0.058 0.000 2.181 255 Y HA -0.262 4.288 4.550 -0.000 0.000 0.288 255 Y C 2.490 178.365 175.900 -0.042 0.000 1.146 255 Y CA 1.695 59.800 58.100 0.009 0.000 1.164 255 Y CB -0.280 38.142 38.460 -0.064 0.000 0.982 255 Y HN 0.045 nan 8.280 nan 0.000 0.515 256 Q N -0.038 119.637 119.800 -0.209 0.000 2.084 256 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 256 Q C 2.329 178.235 176.000 -0.157 0.000 0.978 256 Q CA 1.593 57.212 55.803 -0.306 0.000 0.844 256 Q CB -0.346 28.210 28.738 -0.304 0.000 0.898 256 Q HN 0.579 nan 8.270 nan 0.000 0.426 257 A N 0.013 122.809 122.820 -0.041 0.000 1.883 257 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 257 A C 1.400 178.858 177.584 -0.211 0.000 1.186 257 A CA 1.455 53.433 52.037 -0.097 0.000 0.624 257 A CB -1.035 17.949 19.000 -0.027 0.000 0.822 257 A HN 0.629 nan 8.150 nan 0.000 0.444 258 W N -1.265 119.965 121.300 -0.116 0.000 3.077 258 W HA 0.268 4.928 4.660 0.000 0.000 0.266 258 W C 1.606 178.030 176.519 -0.160 0.000 1.300 258 W CA 0.017 57.290 57.345 -0.120 0.000 1.586 258 W CB -0.299 29.145 29.460 -0.026 0.000 1.103 258 W HN 0.297 nan 8.180 nan 0.000 0.652 259 L N 1.941 123.106 121.223 -0.098 0.000 2.081 259 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 259 L C -0.650 176.166 176.870 -0.090 0.000 1.080 259 L CA 2.221 56.932 54.840 -0.214 0.000 0.754 259 L CB -1.656 40.124 42.059 -0.465 0.000 0.893 259 L HN -0.197 nan 8.230 nan 0.000 0.433 260 P HA -0.174 nan 4.420 nan 0.000 0.217 260 P C 2.201 179.488 177.300 -0.022 0.000 1.150 260 P CA 1.256 64.317 63.100 -0.065 0.000 0.832 260 P CB 0.025 31.658 31.700 -0.112 0.000 0.787 261 L N -1.167 120.016 121.223 -0.066 0.000 2.044 261 L HA -0.131 4.209 4.340 -0.000 0.000 0.205 261 L C 2.272 179.235 176.870 0.155 0.000 1.075 261 L CA 1.509 56.303 54.840 -0.077 0.000 0.747 261 L CB -0.620 41.212 42.059 -0.379 0.000 0.903 261 L HN -0.075 nan 8.230 nan 0.000 0.435 262 I N -0.094 120.619 120.570 0.238 0.000 2.163 262 I HA -0.394 3.776 4.170 -0.000 0.000 0.243 262 I C 2.390 178.639 176.117 0.219 0.000 1.085 262 I CA 1.803 63.306 61.300 0.338 0.000 1.347 262 I CB -0.559 37.593 38.000 0.253 0.000 1.044 262 I HN 0.454 nan 8.210 nan 0.000 0.408 263 N N 0.131 118.912 118.700 0.136 0.000 2.120 263 N HA -0.274 4.466 4.740 -0.000 0.000 0.188 263 N C 2.091 177.679 175.510 0.130 0.000 1.024 263 N CA 1.500 54.613 53.050 0.105 0.000 0.852 263 N CB -0.059 38.464 38.487 0.059 0.000 1.003 263 N HN 0.379 nan 8.380 nan 0.000 0.424 264 H N 0.845 119.954 119.070 0.065 0.000 2.387 264 H HA -0.068 4.488 4.556 -0.000 0.000 0.299 264 H C 2.114 177.509 175.328 0.111 0.000 1.090 264 H CA 2.008 58.095 56.048 0.064 0.000 1.332 264 H CB -0.043 29.741 29.762 0.038 0.000 1.386 264 H HN 0.375 nan 8.280 nan 0.000 0.516 265 E N -0.271 120.081 120.200 0.252 0.000 2.047 265 E HA -0.221 4.129 4.350 -0.000 0.000 0.191 265 E C 2.234 178.951 176.600 0.195 0.000 0.987 265 E CA 1.100 57.654 56.400 0.257 0.000 0.799 265 E CB -0.176 29.757 29.700 0.388 0.000 0.752 265 E HN 0.518 nan 8.360 nan 0.000 0.449 266 N N 0.229 119.031 118.700 0.171 0.000 2.120 266 N HA -0.157 4.583 4.740 -0.000 0.000 0.188 266 N C 1.551 177.110 175.510 0.082 0.000 1.024 266 N CA 1.200 54.332 53.050 0.137 0.000 0.852 266 N CB 0.096 38.647 38.487 0.106 0.000 1.003 266 N HN 0.198 nan 8.380 nan 0.000 0.424 267 R N -1.000 119.514 120.500 0.023 0.000 2.335 267 R HA 0.196 4.536 4.340 -0.000 0.000 0.210 267 R C 1.172 177.414 176.300 -0.097 0.000 0.892 267 R CA 0.016 56.103 56.100 -0.022 0.000 1.048 267 R CB 0.456 30.746 30.300 -0.018 0.000 1.067 267 R HN 0.234 nan 8.270 nan 0.000 0.524 268 Q N 0.126 119.802 119.800 -0.206 0.000 2.652 268 Q HA 0.121 4.461 4.340 -0.000 0.000 0.211 268 Q C 2.007 177.878 176.000 -0.214 0.000 0.858 268 Q CA 1.408 57.011 55.803 -0.334 0.000 0.895 268 Q CB 0.080 28.303 28.738 -0.857 0.000 1.194 268 Q HN 0.194 nan 8.270 nan 0.000 0.645 269 S N -0.008 115.583 115.700 -0.182 0.000 2.458 269 S HA 0.267 4.737 4.470 -0.000 0.000 0.223 269 S C 1.350 175.963 174.600 0.022 0.000 1.019 269 S CA 0.603 58.801 58.200 -0.003 0.000 0.937 269 S CB -0.093 63.179 63.200 0.121 0.000 0.788 269 S HN 0.548 nan 8.310 nan 0.000 0.511 270 G N 2.638 111.468 108.800 0.050 0.000 2.596 270 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.295 270 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.295 270 G C 0.667 175.470 174.900 -0.163 0.000 1.240 270 G CA 0.294 45.423 45.100 0.049 0.000 0.985 270 G HN 0.458 nan 8.290 nan 0.000 0.555 271 I N 0.584 120.814 120.570 -0.566 0.000 2.145 271 I HA -0.221 3.949 4.170 -0.000 0.000 0.244 271 I C 2.738 178.614 176.117 -0.401 0.000 1.075 271 I CA 1.933 62.621 61.300 -1.020 0.000 1.332 271 I CB -0.422 37.193 38.000 -0.642 0.000 1.033 271 I HN 0.366 nan 8.210 nan 0.000 0.410 272 L N 0.080 121.205 121.223 -0.164 0.000 2.549 272 L HA -0.130 4.210 4.340 -0.000 0.000 0.229 272 L C 2.407 179.290 176.870 0.023 0.000 1.158 272 L CA 0.599 55.415 54.840 -0.040 0.000 0.842 272 L CB -0.980 41.083 42.059 0.006 0.000 0.952 272 L HN 0.313 nan 8.230 nan 0.000 0.452 273 T N 0.543 115.129 114.554 0.054 0.000 2.597 273 T HA -0.307 4.043 4.350 -0.000 0.000 0.267 273 T C 2.103 176.898 174.700 0.158 0.000 1.053 273 T CA 1.828 64.020 62.100 0.152 0.000 1.165 273 T CB -0.253 68.764 68.868 0.248 0.000 0.863 273 T HN 0.524 nan 8.240 nan 0.000 0.427 274 A N 1.466 124.375 122.820 0.149 0.000 1.908 274 A HA -0.169 4.150 4.320 -0.000 0.000 0.218 274 A C 2.263 179.888 177.584 0.068 0.000 1.181 274 A CA 1.911 54.028 52.037 0.133 0.000 0.627 274 A CB -0.496 18.578 19.000 0.122 0.000 0.818 274 A HN 0.518 nan 8.150 nan 0.000 0.445 275 K N -0.436 119.989 120.400 0.041 0.000 2.097 275 K HA 0.044 4.364 4.320 -0.000 0.000 0.205 275 K C 2.295 178.907 176.600 0.021 0.000 1.050 275 K CA 0.935 57.231 56.287 0.015 0.000 0.938 275 K CB -0.282 32.225 32.500 0.013 0.000 0.718 275 K HN 0.443 nan 8.250 nan 0.000 0.442 276 A N 1.099 123.945 122.820 0.043 0.000 1.877 276 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 276 A C 1.987 179.590 177.584 0.033 0.000 1.186 276 A CA 1.324 53.388 52.037 0.045 0.000 0.620 276 A CB -0.473 18.568 19.000 0.068 0.000 0.822 276 A HN 0.079 nan 8.150 nan 0.000 0.443 277 L N -0.790 120.461 121.223 0.047 0.000 2.046 277 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 277 L C 2.718 179.555 176.870 -0.055 0.000 1.077 277 L CA 1.841 56.697 54.840 0.026 0.000 0.747 277 L CB -0.788 41.328 42.059 0.095 0.000 0.896 277 L HN 0.384 nan 8.230 nan 0.000 0.432 278 M N -1.570 117.975 119.600 -0.091 0.000 2.229 278 M HA -0.192 4.288 4.480 -0.000 0.000 0.264 278 M C 2.350 178.595 176.300 -0.090 0.000 1.063 278 M CA 1.177 56.369 55.300 -0.180 0.000 1.114 278 M CB -0.232 32.267 32.600 -0.169 0.000 1.387 278 M HN 0.091 nan 8.290 nan 0.000 0.420 279 R N 0.810 121.288 120.500 -0.037 0.000 2.066 279 R HA -0.089 4.251 4.340 -0.000 0.000 0.232 279 R C 1.915 178.213 176.300 -0.003 0.000 1.131 279 R CA 1.497 57.592 56.100 -0.008 0.000 0.955 279 R CB -0.434 29.871 30.300 0.008 0.000 0.851 279 R HN 0.179 nan 8.270 nan 0.000 0.432 280 E N -0.379 119.818 120.200 -0.005 0.000 2.085 280 E HA -0.107 4.243 4.350 -0.000 0.000 0.194 280 E C 1.619 178.220 176.600 0.002 0.000 0.994 280 E CA 1.630 58.031 56.400 0.001 0.000 0.801 280 E CB -0.544 29.157 29.700 0.002 0.000 0.743 280 E HN 0.566 nan 8.360 nan 0.000 0.453 281 G N -0.793 107.999 108.800 -0.014 0.000 2.920 281 G HA2 0.118 4.078 3.960 -0.000 0.000 0.208 281 G HA3 0.118 4.078 3.960 -0.000 0.000 0.208 281 G C 1.058 175.989 174.900 0.051 0.000 1.159 281 G CA 0.544 45.648 45.100 0.007 0.000 0.784 281 G HN 0.416 nan 8.290 nan 0.000 0.535 282 G N -0.874 107.950 108.800 0.039 0.000 2.148 282 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.254 282 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.254 282 G C 1.135 176.111 174.900 0.126 0.000 0.981 282 G CA 0.518 45.662 45.100 0.073 0.000 0.670 282 G HN 0.469 nan 8.290 nan 0.000 0.528 283 V N 0.637 120.600 119.914 0.083 0.000 2.379 283 V HA 0.144 4.264 4.120 -0.000 0.000 0.245 283 V C 1.675 177.810 176.094 0.067 0.000 1.044 283 V CA 2.107 64.464 62.300 0.095 0.000 1.036 283 V CB -0.390 31.298 31.823 -0.225 0.000 0.664 283 V HN 0.821 nan 8.190 nan 0.000 0.453 284 I N -3.477 117.101 120.570 0.013 0.000 2.785 284 I HA 0.771 4.941 4.170 -0.000 0.000 0.302 284 I C 0.985 177.115 176.117 0.022 0.000 1.069 284 I CA -0.563 60.744 61.300 0.012 0.000 1.045 284 I CB 2.023 40.011 38.000 -0.020 0.000 1.236 284 I HN -0.071 nan 8.210 nan 0.000 0.429 285 A N 3.232 126.066 122.820 0.024 0.000 1.929 285 A HA 0.076 4.396 4.320 -0.000 0.000 0.216 285 A C 1.264 178.866 177.584 0.029 0.000 1.176 285 A CA 1.435 53.489 52.037 0.028 0.000 0.628 285 A CB -0.312 18.705 19.000 0.028 0.000 0.816 285 A HN 0.783 nan 8.150 nan 0.000 0.444 286 S N -1.288 114.431 115.700 0.031 0.000 2.540 286 S HA 0.398 4.868 4.470 -0.000 0.000 0.275 286 S C 0.060 174.688 174.600 0.046 0.000 1.123 286 S CA 0.030 58.256 58.200 0.043 0.000 0.907 286 S CB 1.399 64.636 63.200 0.062 0.000 1.081 286 S HN 0.464 nan 8.310 nan 0.000 0.476 287 E N 2.672 122.900 120.200 0.047 0.000 2.481 287 E HA 0.231 4.581 4.350 -0.000 0.000 0.198 287 E C 0.038 176.682 176.600 0.073 0.000 1.027 287 E CA -0.495 55.934 56.400 0.048 0.000 0.900 287 E CB 0.222 29.944 29.700 0.036 0.000 0.993 287 E HN 0.424 nan 8.360 nan 0.000 0.482 288 R N 2.605 123.158 120.500 0.089 0.000 2.590 288 R HA 0.195 4.535 4.340 -0.000 0.000 0.274 288 R C -2.053 174.340 176.300 0.155 0.000 1.061 288 R CA -1.232 54.925 56.100 0.095 0.000 1.081 288 R CB 0.167 30.510 30.300 0.071 0.000 0.984 288 R HN 0.193 nan 8.270 nan 0.000 0.448 289 P HA 0.227 nan 4.420 nan 0.000 0.287 289 P C -0.915 176.339 177.300 -0.076 0.000 1.296 289 P CA -0.687 62.479 63.100 0.110 0.000 0.811 289 P CB 0.960 32.703 31.700 0.072 0.000 1.211 290 R N -0.336 119.996 120.500 -0.280 0.000 2.357 290 R HA 0.244 4.584 4.340 -0.000 0.000 0.296 290 R C 0.553 176.784 176.300 -0.114 0.000 1.052 290 R CA -0.489 55.380 56.100 -0.385 0.000 0.988 290 R CB -0.055 29.860 30.300 -0.641 0.000 1.025 290 R HN 0.613 nan 8.270 nan 0.000 0.469 291 H N 3.846 122.835 119.070 -0.135 0.000 2.948 291 H HA 0.009 4.565 4.556 -0.000 0.000 0.351 291 H C -1.233 174.069 175.328 -0.043 0.000 1.079 291 H CA -0.639 55.370 56.048 -0.065 0.000 1.407 291 H CB 0.935 30.662 29.762 -0.059 0.000 1.373 291 H HN 0.395 nan 8.280 nan 0.000 0.605 292 P HA 0.011 nan 4.420 nan 0.000 0.257 292 P C 0.076 177.139 177.300 -0.396 0.000 1.281 292 P CA 0.112 62.674 63.100 -0.896 0.000 0.826 292 P CB 0.065 31.417 31.700 -0.581 0.000 1.237 293 M N 3.070 122.577 119.600 -0.156 0.000 2.284 293 M HA 0.147 4.627 4.480 -0.000 0.000 0.351 293 M C -2.021 174.249 176.300 -0.050 0.000 1.443 293 M CA -1.449 53.825 55.300 -0.043 0.000 1.031 293 M CB 0.443 33.080 32.600 0.061 0.000 1.893 293 M HN -0.147 nan 8.290 nan 0.000 0.456 294 P HA 0.080 nan 4.420 nan 0.000 0.271 294 P C -1.050 176.253 177.300 0.005 0.000 1.218 294 P CA -0.012 63.079 63.100 -0.016 0.000 0.780 294 P CB 0.496 32.195 31.700 -0.002 0.000 0.901 295 E N 1.359 121.553 120.200 -0.010 0.000 2.392 295 E HA 0.192 4.542 4.350 -0.000 0.000 0.256 295 E C 0.344 176.948 176.600 0.006 0.000 1.145 295 E CA -0.601 55.799 56.400 0.000 0.000 0.929 295 E CB 0.451 30.143 29.700 -0.014 0.000 0.998 295 E HN 0.430 nan 8.360 nan 0.000 0.442 296 L N 2.436 123.685 121.223 0.043 0.000 2.453 296 L HA 0.006 4.346 4.340 -0.000 0.000 0.272 296 L C 0.530 177.457 176.870 0.094 0.000 1.182 296 L CA 0.013 54.914 54.840 0.101 0.000 0.858 296 L CB -0.071 42.045 42.059 0.096 0.000 1.120 296 L HN 0.356 nan 8.230 nan 0.000 0.474 297 H N 3.698 122.785 119.070 0.028 0.000 2.790 297 H HA 0.033 4.589 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 -1.259 54.806 56.048 0.027 0.000 1.426 297 H CB 0.208 29.984 29.762 0.024 0.000 1.424 297 H HN 0.357 nan 8.280 nan 0.000 0.599 298 P HA -0.200 nan 4.420 nan 0.000 0.214 298 P C 1.117 178.470 177.300 0.088 0.000 1.163 298 P CA 1.599 64.747 63.100 0.080 0.000 0.889 298 P CB 0.282 32.014 31.700 0.053 0.000 0.790 299 D N -1.856 118.603 120.400 0.098 0.000 2.144 299 D HA -0.115 4.525 4.640 -0.000 0.000 0.200 299 D C 1.750 178.113 176.300 0.104 0.000 0.978 299 D CA 1.301 55.348 54.000 0.079 0.000 0.833 299 D CB -0.654 40.186 40.800 0.067 0.000 0.961 299 D HN 0.019 nan 8.370 nan 0.000 0.470 300 T N -0.441 114.196 114.554 0.138 0.000 2.746 300 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 300 T C 1.929 176.770 174.700 0.235 0.000 1.039 300 T CA 1.225 63.441 62.100 0.193 0.000 1.142 300 T CB -0.159 68.788 68.868 0.131 0.000 0.866 300 T HN 0.164 nan 8.240 nan 0.000 0.444 301 R N 0.703 121.294 120.500 0.151 0.000 2.073 301 R HA 0.049 4.389 4.340 -0.000 0.000 0.229 301 R C 2.610 178.948 176.300 0.063 0.000 1.120 301 R CA 1.245 57.413 56.100 0.114 0.000 0.967 301 R CB -0.414 29.936 30.300 0.083 0.000 0.862 301 R HN 0.344 nan 8.270 nan 0.000 0.436 302 A N 1.155 124.003 122.820 0.046 0.000 1.902 302 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 302 A C 1.896 179.458 177.584 -0.036 0.000 1.181 302 A CA 1.702 53.744 52.037 0.008 0.000 0.623 302 A CB -0.463 18.544 19.000 0.012 0.000 0.818 302 A HN 0.523 nan 8.150 nan 0.000 0.443 303 E N -0.788 119.386 120.200 -0.042 0.000 2.110 303 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 303 E C 1.920 178.305 176.600 -0.357 0.000 0.988 303 E CA 1.098 57.400 56.400 -0.164 0.000 0.804 303 E CB -0.247 29.384 29.700 -0.114 0.000 0.745 303 E HN 0.526 nan 8.360 nan 0.000 0.458 304 L N 0.961 122.011 121.223 -0.289 0.000 1.994 304 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 304 L C 1.985 178.767 176.870 -0.146 0.000 1.071 304 L CA 1.663 56.355 54.840 -0.246 0.000 0.745 304 L CB -0.394 41.710 42.059 0.075 0.000 0.892 304 L HN 0.114 nan 8.230 nan 0.000 0.431 305 L N -0.586 120.589 121.223 -0.080 0.000 2.093 305 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 305 L C 2.684 179.497 176.870 -0.094 0.000 1.085 305 L CA 1.064 55.867 54.840 -0.062 0.000 0.755 305 L CB -0.998 41.043 42.059 -0.030 0.000 0.904 305 L HN 0.403 nan 8.230 nan 0.000 0.435 306 A N 0.455 123.208 122.820 -0.111 0.000 1.902 306 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 306 A C 2.206 179.700 177.584 -0.150 0.000 1.181 306 A CA 1.524 53.492 52.037 -0.114 0.000 0.623 306 A CB -0.583 18.354 19.000 -0.106 0.000 0.818 306 A HN 0.355 nan 8.150 nan 0.000 0.443 307 I N -0.439 120.012 120.570 -0.198 0.000 2.202 307 I HA -0.228 3.942 4.170 -0.000 0.000 0.242 307 I C 2.985 178.950 176.117 -0.252 0.000 1.091 307 I CA 0.940 62.101 61.300 -0.231 0.000 1.368 307 I CB -0.405 37.434 38.000 -0.268 0.000 1.058 307 I HN 0.347 nan 8.210 nan 0.000 0.410 308 A N 1.074 123.764 122.820 -0.218 0.000 1.908 308 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 308 A C 2.374 179.852 177.584 -0.176 0.000 1.181 308 A CA 1.542 53.455 52.037 -0.206 0.000 0.627 308 A CB -0.620 18.315 19.000 -0.108 0.000 0.818 308 A HN 0.334 nan 8.150 nan 0.000 0.445 309 R N -0.759 119.662 120.500 -0.132 0.000 2.152 309 R HA -0.063 4.277 4.340 -0.000 0.000 0.232 309 R C 2.143 178.364 176.300 -0.131 0.000 1.117 309 R CA 1.225 57.264 56.100 -0.102 0.000 0.981 309 R CB -0.248 30.007 30.300 -0.074 0.000 0.870 309 R HN 0.513 nan 8.270 nan 0.000 0.451 310 R N -0.110 120.282 120.500 -0.179 0.000 2.235 310 R HA 0.006 4.345 4.340 -0.000 0.000 0.213 310 R C 1.188 177.325 176.300 -0.272 0.000 1.059 310 R CA 0.497 56.480 56.100 -0.196 0.000 0.997 310 R CB 0.123 30.300 30.300 -0.204 0.000 0.884 310 R HN 0.057 nan 8.270 nan 0.000 0.462 311 L N 0.163 121.163 121.223 -0.373 0.000 2.616 311 L HA 0.057 4.397 4.340 -0.000 0.000 0.229 311 L C -0.015 176.687 176.870 -0.280 0.000 1.110 311 L CA 0.526 55.018 54.840 -0.580 0.000 0.884 311 L CB -0.515 40.800 42.059 -1.240 0.000 1.115 311 L HN 0.127 nan 8.230 nan 0.000 0.481 312 D N 0.685 121.013 120.400 -0.121 0.000 2.697 312 D HA -0.135 4.505 4.640 -0.000 0.000 0.238 312 D C -2.028 174.365 176.300 0.155 0.000 1.152 312 D CA 0.114 54.126 54.000 0.020 0.000 0.666 312 D CB -0.180 40.639 40.800 0.030 0.000 1.037 312 D HN 0.210 nan 8.370 nan 0.000 0.423 313 P HA 0.062 nan 4.420 nan 0.000 0.274 313 P C 1.199 178.680 177.300 0.301 0.000 1.231 313 P CA -0.718 62.617 63.100 0.390 0.000 0.790 313 P CB 1.065 33.025 31.700 0.434 0.000 0.951 314 L N 3.988 125.423 121.223 0.352 0.000 2.079 314 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 314 L C 2.362 179.457 176.870 0.375 0.000 1.081 314 L CA 1.626 56.693 54.840 0.379 0.000 0.752 314 L CB -1.221 41.090 42.059 0.421 0.000 0.896 314 L HN 0.228 nan 8.230 nan 0.000 0.433 315 V N -0.669 119.423 119.914 0.297 0.000 2.660 315 V HA -0.229 3.891 4.120 -0.000 0.000 0.257 315 V C 2.038 178.083 176.094 -0.081 0.000 1.088 315 V CA 1.659 63.806 62.300 -0.255 0.000 1.106 315 V CB -0.303 31.291 31.823 -0.381 0.000 0.686 315 V HN 0.446 nan 8.190 nan 0.000 0.481 316 L N 0.594 121.856 121.223 0.065 0.000 2.607 316 L HA 0.275 4.615 4.340 -0.000 0.000 0.228 316 L C 1.524 178.454 176.870 0.100 0.000 1.123 316 L CA 0.825 55.702 54.840 0.062 0.000 0.890 316 L CB -0.184 41.905 42.059 0.050 0.000 1.103 316 L HN 0.574 nan 8.230 nan 0.000 0.468 317 R N -3.234 117.366 120.500 0.166 0.000 2.648 317 R HA 0.121 4.461 4.340 -0.000 0.000 0.341 317 R C -1.033 175.421 176.300 0.257 0.000 1.154 317 R CA -0.446 55.753 56.100 0.164 0.000 1.228 317 R CB -0.710 29.671 30.300 0.134 0.000 1.311 317 R HN 0.020 nan 8.270 nan 0.000 0.659 318 W N 2.290 123.639 121.300 0.083 0.000 2.289 318 W HA 0.527 5.187 4.660 -0.000 0.000 0.342 318 W C -0.488 176.078 176.519 0.077 0.000 0.958 318 W CA -0.993 56.452 57.345 0.167 0.000 1.492 318 W CB 0.984 30.576 29.460 0.221 0.000 1.336 318 W HN 0.403 nan 8.180 nan 0.000 0.371 319 A N 6.481 129.119 122.820 -0.303 0.000 2.990 319 A HA 0.319 4.639 4.320 -0.000 0.000 0.282 319 A C -0.442 176.505 177.584 -1.062 0.000 1.688 319 A CA 0.377 52.114 52.037 -0.501 0.000 1.391 319 A CB -0.640 18.132 19.000 -0.379 0.000 1.112 319 A HN 0.708 nan 8.150 nan 0.000 0.588 320 H N 0.000 118.680 119.070 -0.650 0.000 2.539 320 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 320 H CA 0.000 55.594 56.048 -0.757 0.000 1.023 320 H CB 0.000 28.813 29.762 -1.581 0.000 1.292 320 H HN 0.000 nan 8.280 nan 0.000 0.496