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 3c4q_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRVAMISMHT SPLQQPGTGD SGGMNVYILS TATELAKQGI EVDIYTRATR DATA SEQUENCE PSQGEIVRVA ENLRVINIAA GPYEGLSKEE LPTQLAAFTG GMLSFTRREK DATA SEQUENCE VTYDLIHSHY WLSGQVGWLL RDLWRIPLIH TAHTLAAVXX XXXXXXDTPE DATA SEQUENCE SEARRICEQQ LVDNADVLAV NTQEEMQDLM HHYDADPDRI SVVSPGADVE DATA SEQUENCE LYSPGNDRAT ERSRRELGIP LHTKVVAFVG RLQPFKGPQV LIKAVAALFD DATA SEQUENCE RDPDRNLRVI ICGGPXXXXX XXXTYRHMAE ELGVEKRIRF LDPRPPSELV DATA SEQUENCE AVYRAADIVA VPSFNESFGL VAMEAQASGT PVIAARVGGL PIAVAEGETG DATA SEQUENCE LLVDGHSPHA WADALATLLD DDETRIRMGE DAVEHARTFS WAATAAQLSS DATA SEQUENCE LYNDAIANE 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.343 176.300 0.072 0.000 1.140 1 M CA 0.000 55.337 55.300 0.061 0.000 0.988 1 M CB 0.000 32.656 32.600 0.093 0.000 1.302 2 R N 3.523 124.063 120.500 0.067 0.000 2.338 2 R HA 0.796 5.136 4.340 -0.000 0.000 0.317 2 R C -1.637 174.823 176.300 0.267 0.000 0.968 2 R CA -0.481 55.700 56.100 0.135 0.000 0.849 2 R CB 1.626 31.930 30.300 0.007 0.000 1.128 2 R HN 0.561 nan 8.270 nan 0.000 0.448 3 V N 3.241 123.313 119.914 0.263 0.000 2.483 3 V HA 0.525 4.645 4.120 -0.000 0.000 0.295 3 V C -0.136 176.056 176.094 0.163 0.000 1.035 3 V CA -0.879 61.516 62.300 0.157 0.000 0.896 3 V CB 1.672 33.495 31.823 -0.001 0.000 0.986 3 V HN 0.902 nan 8.190 nan 0.000 0.447 4 A N 6.544 129.281 122.820 -0.139 0.000 2.252 4 A HA 0.730 5.050 4.320 -0.000 0.000 0.309 4 A C -0.168 177.439 177.584 0.037 0.000 1.285 4 A CA -0.450 51.420 52.037 -0.279 0.000 0.900 4 A CB 0.231 18.737 19.000 -0.823 0.000 1.157 4 A HN 0.814 nan 8.150 nan 0.000 0.536 5 M N 2.948 122.646 119.600 0.163 0.000 2.233 5 M HA 0.406 4.886 4.480 -0.000 0.000 0.355 5 M C -0.678 175.790 176.300 0.279 0.000 1.191 5 M CA 0.173 55.608 55.300 0.224 0.000 1.101 5 M CB 1.085 33.818 32.600 0.221 0.000 1.592 5 M HN 0.509 nan 8.290 nan 0.000 0.461 6 I N 1.511 122.250 120.570 0.282 0.000 2.378 6 I HA 0.247 4.417 4.170 -0.000 0.000 0.291 6 I C 0.005 176.290 176.117 0.280 0.000 0.992 6 I CA -0.309 61.172 61.300 0.302 0.000 1.154 6 I CB 1.863 40.017 38.000 0.256 0.000 1.315 6 I HN 0.598 nan 8.210 nan 0.000 0.448 7 S N 6.843 122.665 115.700 0.204 0.000 2.216 7 S HA 0.233 4.702 4.470 -0.000 0.000 0.156 7 S C 0.676 175.235 174.600 -0.068 0.000 1.665 7 S CA -0.662 57.580 58.200 0.069 0.000 1.262 7 S CB 0.556 63.741 63.200 -0.025 0.000 1.207 7 S HN 0.784 nan 8.310 nan 0.000 0.427 8 M N 3.351 122.874 119.600 -0.129 0.000 2.086 8 M HA -0.087 4.393 4.480 -0.000 0.000 0.261 8 M C 1.820 177.915 176.300 -0.341 0.000 1.067 8 M CA 2.006 57.006 55.300 -0.501 0.000 1.116 8 M CB -0.278 31.898 32.600 -0.706 0.000 1.348 8 M HN 0.822 nan 8.290 nan 0.000 0.407 9 H N -2.279 116.642 119.070 -0.247 0.000 2.551 9 H HA 0.277 4.833 4.556 -0.000 0.000 0.271 9 H C -0.389 174.852 175.328 -0.146 0.000 0.984 9 H CA 0.699 56.630 56.048 -0.195 0.000 1.164 9 H CB -0.053 29.613 29.762 -0.161 0.000 1.437 9 H HN 0.330 nan 8.280 nan 0.000 0.550 10 T N 0.365 114.524 114.554 -0.659 0.000 3.097 10 T HA 0.321 4.671 4.350 -0.000 0.000 0.332 10 T C -1.456 173.053 174.700 -0.320 0.000 1.269 10 T CA -0.507 61.304 62.100 -0.481 0.000 1.076 10 T CB 1.834 70.334 68.868 -0.615 0.000 1.209 10 T HN 0.322 nan 8.240 nan 0.000 0.474 11 S N 4.154 119.735 115.700 -0.199 0.000 2.525 11 S HA 0.603 5.073 4.470 -0.000 0.000 0.290 11 S C -1.566 172.953 174.600 -0.136 0.000 1.152 11 S CA -1.727 56.389 58.200 -0.141 0.000 1.072 11 S CB 1.389 64.530 63.200 -0.098 0.000 1.027 11 S HN 0.617 nan 8.310 nan 0.000 0.500 12 P HA -0.002 nan 4.420 nan 0.000 0.228 12 P C 0.837 178.079 177.300 -0.098 0.000 1.151 12 P CA 0.415 63.442 63.100 -0.121 0.000 0.770 12 P CB 0.082 31.711 31.700 -0.120 0.000 0.786 13 L N -1.150 120.021 121.223 -0.087 0.000 2.592 13 L HA 0.167 4.507 4.340 -0.000 0.000 0.227 13 L C 1.182 178.014 176.870 -0.063 0.000 1.127 13 L CA 0.664 55.461 54.840 -0.071 0.000 0.884 13 L CB -1.122 40.896 42.059 -0.069 0.000 1.065 13 L HN -0.054 nan 8.230 nan 0.000 0.457 14 Q N 0.571 120.329 119.800 -0.070 0.000 2.313 14 Q HA 0.025 4.365 4.340 -0.000 0.000 0.266 14 Q C 0.105 176.079 176.000 -0.044 0.000 0.989 14 Q CA -0.084 55.683 55.803 -0.059 0.000 0.890 14 Q CB 0.818 29.512 28.738 -0.073 0.000 1.200 14 Q HN 0.092 nan 8.270 nan 0.000 0.396 15 Q N 4.453 124.235 119.800 -0.030 0.000 2.275 15 Q HA 0.034 4.374 4.340 -0.000 0.000 0.293 15 Q C -2.348 173.645 176.000 -0.012 0.000 1.129 15 Q CA -0.475 55.318 55.803 -0.016 0.000 0.971 15 Q CB 0.277 29.010 28.738 -0.008 0.000 1.098 15 Q HN 0.195 nan 8.270 nan 0.000 0.386 16 P HA 0.295 nan 4.420 nan 0.000 0.276 16 P C -0.724 176.583 177.300 0.012 0.000 1.244 16 P CA -0.475 62.624 63.100 -0.001 0.000 0.801 16 P CB 1.170 32.873 31.700 0.004 0.000 1.006 17 G N 0.483 109.294 108.800 0.017 0.000 2.437 17 G HA2 0.467 4.427 3.960 -0.000 0.000 0.315 17 G HA3 0.467 4.427 3.960 -0.000 0.000 0.315 17 G C -0.085 174.837 174.900 0.036 0.000 1.210 17 G CA -0.368 44.745 45.100 0.022 0.000 0.943 17 G HN 0.598 nan 8.290 nan 0.000 0.471 18 T N 0.673 115.247 114.554 0.033 0.000 2.726 18 T HA 0.303 4.653 4.350 -0.000 0.000 0.356 18 T C 1.469 176.182 174.700 0.022 0.000 1.048 18 T CA 0.864 62.981 62.100 0.028 0.000 1.132 18 T CB 0.103 68.983 68.868 0.020 0.000 1.071 18 T HN 2.462 nan 8.240 nan 0.000 0.519 19 G N 1.663 110.478 108.800 0.025 0.000 2.512 19 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.254 19 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.254 19 G C -0.051 174.870 174.900 0.035 0.000 1.199 19 G CA 0.292 45.405 45.100 0.022 0.000 0.941 19 G HN 0.846 nan 8.290 nan 0.000 0.569 20 D N 0.594 121.007 120.400 0.021 0.000 2.342 20 D HA 0.356 4.996 4.640 -0.000 0.000 0.221 20 D C 0.792 177.076 176.300 -0.026 0.000 1.101 20 D CA 0.883 54.901 54.000 0.029 0.000 0.837 20 D CB 0.617 41.448 40.800 0.052 0.000 0.938 20 D HN 0.395 nan 8.370 nan 0.000 0.508 21 S N -0.037 115.645 115.700 -0.031 0.000 2.430 21 S HA 0.598 5.068 4.470 -0.000 0.000 0.289 21 S C 0.376 174.960 174.600 -0.026 0.000 1.143 21 S CA -0.470 57.696 58.200 -0.056 0.000 1.067 21 S CB 0.773 63.940 63.200 -0.055 0.000 0.964 21 S HN 0.284 nan 8.310 nan 0.000 0.485 22 G N 3.203 111.978 108.800 -0.041 0.000 3.100 22 G HA2 0.474 4.434 3.960 -0.000 0.000 0.174 22 G HA3 0.474 4.434 3.960 -0.000 0.000 0.174 22 G C 0.896 175.782 174.900 -0.024 0.000 1.136 22 G CA 0.139 45.229 45.100 -0.017 0.000 0.881 22 G HN 0.766 nan 8.290 nan 0.000 0.616 23 G N 0.048 108.828 108.800 -0.033 0.000 2.432 23 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.219 23 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.219 23 G C 1.676 176.619 174.900 0.072 0.000 1.135 23 G CA 1.393 46.489 45.100 -0.007 0.000 0.767 23 G HN 0.360 nan 8.290 nan 0.000 0.550 24 M N 0.462 120.022 119.600 -0.066 0.000 2.132 24 M HA -0.088 4.392 4.480 -0.000 0.000 0.263 24 M C 2.367 178.562 176.300 -0.176 0.000 1.065 24 M CA 1.585 56.742 55.300 -0.237 0.000 1.122 24 M CB -0.311 32.004 32.600 -0.475 0.000 1.365 24 M HN 0.212 nan 8.290 nan 0.000 0.411 25 N N 0.211 118.821 118.700 -0.150 0.000 2.025 25 N HA -0.192 4.548 4.740 -0.000 0.000 0.194 25 N C 1.591 177.041 175.510 -0.100 0.000 1.044 25 N CA 1.848 54.811 53.050 -0.145 0.000 0.851 25 N CB -0.899 37.511 38.487 -0.127 0.000 1.036 25 N HN 0.376 nan 8.380 nan 0.000 0.422 26 V N -0.112 119.782 119.914 -0.033 0.000 2.490 26 V HA -0.231 3.889 4.120 -0.000 0.000 0.250 26 V C 1.830 177.831 176.094 -0.155 0.000 1.061 26 V CA 1.325 63.595 62.300 -0.049 0.000 1.064 26 V CB -0.712 31.146 31.823 0.058 0.000 0.670 26 V HN 0.421 nan 8.190 nan 0.000 0.461 27 Y N 0.962 121.217 120.300 -0.075 0.000 2.070 27 Y HA -0.241 4.309 4.550 -0.000 0.000 0.280 27 Y C 2.234 177.958 175.900 -0.293 0.000 1.148 27 Y CA 2.755 60.805 58.100 -0.082 0.000 1.125 27 Y CB -0.232 38.410 38.460 0.304 0.000 0.975 27 Y HN 0.304 nan 8.280 nan 0.000 0.492 28 I N -0.428 120.145 120.570 0.005 0.000 2.208 28 I HA -0.314 3.856 4.170 -0.000 0.000 0.245 28 I C 2.288 178.266 176.117 -0.232 0.000 1.097 28 I CA 1.404 62.588 61.300 -0.194 0.000 1.363 28 I CB -0.483 37.306 38.000 -0.352 0.000 1.051 28 I HN 0.331 nan 8.210 nan 0.000 0.413 29 L N 0.043 121.117 121.223 -0.250 0.000 2.072 29 L HA -0.123 4.217 4.340 -0.000 0.000 0.205 29 L C 2.589 179.259 176.870 -0.332 0.000 1.079 29 L CA 1.772 56.472 54.840 -0.234 0.000 0.752 29 L CB -0.474 41.474 42.059 -0.185 0.000 0.906 29 L HN 0.069 nan 8.230 nan 0.000 0.436 30 S N -0.908 114.444 115.700 -0.580 0.000 2.368 30 S HA -0.198 4.272 4.470 -0.000 0.000 0.225 30 S C 1.878 176.086 174.600 -0.653 0.000 1.030 30 S CA 1.737 59.423 58.200 -0.857 0.000 0.999 30 S CB -0.767 61.244 63.200 -1.981 0.000 0.844 30 S HN 0.774 nan 8.310 nan 0.000 0.459 31 T N 1.227 115.403 114.554 -0.630 0.000 2.777 31 T HA 0.058 4.408 4.350 -0.000 0.000 0.266 31 T C 1.991 176.619 174.700 -0.120 0.000 1.040 31 T CA 1.084 63.005 62.100 -0.299 0.000 1.141 31 T CB -0.678 68.041 68.868 -0.248 0.000 0.868 31 T HN 0.336 nan 8.240 nan 0.000 0.444 32 A N 1.764 124.516 122.820 -0.112 0.000 1.940 32 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 32 A C 2.607 180.174 177.584 -0.029 0.000 1.176 32 A CA 2.254 54.278 52.037 -0.021 0.000 0.631 32 A CB -1.548 17.434 19.000 -0.031 0.000 0.814 32 A HN 0.573 nan 8.150 nan 0.000 0.446 33 T N -0.340 114.162 114.554 -0.086 0.000 2.821 33 T HA -0.072 4.278 4.350 -0.000 0.000 0.267 33 T C 1.777 176.463 174.700 -0.025 0.000 1.046 33 T CA 1.356 63.420 62.100 -0.060 0.000 1.139 33 T CB -0.142 68.669 68.868 -0.095 0.000 0.871 33 T HN 0.454 nan 8.240 nan 0.000 0.454 34 E N 1.028 121.212 120.200 -0.027 0.000 2.158 34 E HA 0.099 4.449 4.350 -0.000 0.000 0.191 34 E C 2.283 178.904 176.600 0.036 0.000 0.982 34 E CA 0.433 56.843 56.400 0.016 0.000 0.823 34 E CB -0.316 29.408 29.700 0.040 0.000 0.766 34 E HN 0.453 nan 8.360 nan 0.000 0.468 35 L N 0.471 121.722 121.223 0.048 0.000 2.083 35 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 35 L C 2.429 179.346 176.870 0.078 0.000 1.083 35 L CA 1.191 56.084 54.840 0.088 0.000 0.752 35 L CB -0.402 41.747 42.059 0.150 0.000 0.899 35 L HN 0.055 nan 8.230 nan 0.000 0.433 36 A N -0.374 122.479 122.820 0.056 0.000 1.968 36 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 36 A C 2.297 179.904 177.584 0.038 0.000 1.169 36 A CA 1.184 53.249 52.037 0.048 0.000 0.638 36 A CB -0.214 18.806 19.000 0.032 0.000 0.812 36 A HN 0.267 nan 8.150 nan 0.000 0.446 37 K N -0.359 120.059 120.400 0.031 0.000 2.148 37 K HA -0.091 4.229 4.320 -0.000 0.000 0.204 37 K C 1.583 178.202 176.600 0.032 0.000 1.050 37 K CA 1.267 57.570 56.287 0.027 0.000 0.942 37 K CB -0.087 32.427 32.500 0.024 0.000 0.724 37 K HN 0.555 nan 8.250 nan 0.000 0.446 38 Q N -0.495 119.329 119.800 0.040 0.000 2.329 38 Q HA 0.047 4.387 4.340 -0.000 0.000 0.208 38 Q C 0.590 176.619 176.000 0.047 0.000 0.934 38 Q CA 0.397 56.225 55.803 0.042 0.000 0.951 38 Q CB 0.594 29.360 28.738 0.047 0.000 1.017 38 Q HN 0.529 nan 8.270 nan 0.000 0.490 39 G N 0.981 109.808 108.800 0.046 0.000 2.179 39 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.260 39 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.260 39 G C 0.159 175.095 174.900 0.060 0.000 0.977 39 G CA -0.209 44.919 45.100 0.046 0.000 0.641 39 G HN 0.361 nan 8.290 nan 0.000 0.533 40 I N 1.541 122.159 120.570 0.080 0.000 2.365 40 I HA 0.293 4.463 4.170 -0.000 0.000 0.291 40 I C 0.454 176.633 176.117 0.103 0.000 1.004 40 I CA -0.451 60.913 61.300 0.107 0.000 1.311 40 I CB 1.031 39.127 38.000 0.160 0.000 1.401 40 I HN 0.119 nan 8.210 nan 0.000 0.491 41 E N 5.641 125.901 120.200 0.100 0.000 2.229 41 E HA 0.361 4.711 4.350 -0.000 0.000 0.283 41 E C -1.096 175.591 176.600 0.145 0.000 1.030 41 E CA -0.432 56.029 56.400 0.101 0.000 0.836 41 E CB 1.621 31.368 29.700 0.077 0.000 1.068 41 E HN 0.260 nan 8.360 nan 0.000 0.401 42 V N 3.610 123.604 119.914 0.133 0.000 2.495 42 V HA 0.228 4.348 4.120 -0.000 0.000 0.298 42 V C -0.582 175.591 176.094 0.132 0.000 1.031 42 V CA -0.908 61.482 62.300 0.150 0.000 0.871 42 V CB 1.918 33.817 31.823 0.126 0.000 0.988 42 V HN 0.625 nan 8.190 nan 0.000 0.432 43 D N 4.383 124.888 120.400 0.174 0.000 2.425 43 D HA 0.515 5.155 4.640 -0.000 0.000 0.240 43 D C -0.436 175.866 176.300 0.002 0.000 1.080 43 D CA -0.086 53.953 54.000 0.065 0.000 0.836 43 D CB 2.132 43.058 40.800 0.210 0.000 1.125 43 D HN 0.366 nan 8.370 nan 0.000 0.525 44 I N 2.799 123.321 120.570 -0.079 0.000 2.304 44 I HA 0.174 4.344 4.170 -0.000 0.000 0.291 44 I C -0.309 175.744 176.117 -0.107 0.000 1.018 44 I CA -0.664 60.627 61.300 -0.014 0.000 1.260 44 I CB 0.420 38.407 38.000 -0.022 0.000 1.390 44 I HN 0.154 nan 8.210 nan 0.000 0.475 45 Y N 4.540 124.869 120.300 0.049 0.000 2.327 45 Y HA 0.435 4.985 4.550 -0.000 0.000 0.336 45 Y C 0.691 176.716 175.900 0.207 0.000 1.035 45 Y CA 0.026 58.182 58.100 0.093 0.000 1.165 45 Y CB 1.683 40.211 38.460 0.115 0.000 1.181 45 Y HN 0.463 nan 8.280 nan 0.000 0.494 46 T N 3.799 118.530 114.554 0.295 0.000 2.883 46 T HA 0.370 4.720 4.350 -0.000 0.000 0.301 46 T C -0.889 174.010 174.700 0.332 0.000 1.158 46 T CA -0.943 61.288 62.100 0.219 0.000 1.007 46 T CB 1.012 69.895 68.868 0.024 0.000 1.186 46 T HN 0.683 nan 8.240 nan 0.000 0.499 47 R N 1.870 122.465 120.500 0.159 0.000 2.484 47 R HA 0.486 4.826 4.340 -0.000 0.000 0.293 47 R C 0.185 176.575 176.300 0.149 0.000 1.023 47 R CA -0.113 56.108 56.100 0.201 0.000 1.037 47 R CB 0.155 30.452 30.300 -0.005 0.000 0.951 47 R HN 0.721 nan 8.270 nan 0.000 0.418 48 A N 3.279 126.220 122.820 0.202 0.000 2.492 48 A HA 0.116 4.436 4.320 -0.000 0.000 0.254 48 A C 0.853 178.554 177.584 0.195 0.000 1.091 48 A CA 0.305 52.439 52.037 0.161 0.000 0.768 48 A CB 0.261 19.407 19.000 0.243 0.000 1.028 48 A HN 0.948 nan 8.150 nan 0.000 0.498 49 T N -0.535 114.036 114.554 0.029 0.000 2.993 49 T HA 0.276 4.626 4.350 -0.000 0.000 0.260 49 T C 0.530 175.144 174.700 -0.144 0.000 0.939 49 T CA -0.145 61.978 62.100 0.040 0.000 0.886 49 T CB 0.247 69.133 68.868 0.031 0.000 1.209 49 T HN 0.555 nan 8.240 nan 0.000 0.518 50 R N 2.189 122.541 120.500 -0.247 0.000 2.513 50 R HA 0.295 4.635 4.340 -0.000 0.000 0.283 50 R C -2.293 173.800 176.300 -0.346 0.000 1.535 50 R CA -1.688 54.258 56.100 -0.256 0.000 1.315 50 R CB 1.486 31.705 30.300 -0.135 0.000 1.163 50 R HN 0.162 nan 8.270 nan 0.000 0.573 51 P HA -0.192 nan 4.420 nan 0.000 0.221 51 P C 1.203 178.380 177.300 -0.205 0.000 1.145 51 P CA 1.243 64.058 63.100 -0.475 0.000 0.795 51 P CB 0.317 31.703 31.700 -0.523 0.000 0.775 52 S N -0.472 115.134 115.700 -0.157 0.000 2.469 52 S HA -0.192 4.278 4.470 -0.000 0.000 0.238 52 S C 2.010 176.564 174.600 -0.077 0.000 0.998 52 S CA 0.852 58.999 58.200 -0.089 0.000 0.957 52 S CB -1.057 62.102 63.200 -0.068 0.000 0.764 52 S HN 0.255 nan 8.310 nan 0.000 0.514 53 Q N 0.944 120.686 119.800 -0.096 0.000 2.311 53 Q HA 0.303 4.643 4.340 -0.000 0.000 0.203 53 Q C 1.210 177.174 176.000 -0.059 0.000 0.954 53 Q CA 0.335 56.093 55.803 -0.075 0.000 0.885 53 Q CB -0.299 28.387 28.738 -0.086 0.000 0.963 53 Q HN 0.787 nan 8.270 nan 0.000 0.471 54 G N 0.960 109.724 108.800 -0.060 0.000 2.795 54 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.664 54 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.664 54 G C -0.030 174.856 174.900 -0.023 0.000 1.381 54 G CA -0.001 45.083 45.100 -0.027 0.000 0.853 54 G HN 0.283 nan 8.290 nan 0.000 0.545 55 E N -0.950 119.258 120.200 0.012 0.000 2.047 55 E HA 0.021 4.371 4.350 -0.000 0.000 0.191 55 E C 1.008 177.579 176.600 -0.049 0.000 0.987 55 E CA 0.950 57.355 56.400 0.010 0.000 0.799 55 E CB -0.028 29.732 29.700 0.100 0.000 0.752 55 E HN 0.474 nan 8.360 nan 0.000 0.449 56 I N 1.669 122.237 120.570 -0.004 0.000 2.389 56 I HA 0.201 4.371 4.170 -0.000 0.000 0.288 56 I C -0.981 175.119 176.117 -0.029 0.000 0.999 56 I CA -0.807 60.478 61.300 -0.024 0.000 1.129 56 I CB 2.071 40.116 38.000 0.074 0.000 1.288 56 I HN -0.184 nan 8.210 nan 0.000 0.444 57 V N 6.427 126.306 119.914 -0.058 0.000 2.347 57 V HA 0.365 4.485 4.120 -0.000 0.000 0.280 57 V C 0.431 176.502 176.094 -0.038 0.000 1.021 57 V CA -0.783 61.490 62.300 -0.046 0.000 0.847 57 V CB 1.481 33.269 31.823 -0.058 0.000 0.990 57 V HN 0.596 nan 8.190 nan 0.000 0.444 58 R N 3.549 124.037 120.500 -0.021 0.000 2.309 58 R HA 0.234 4.574 4.340 -0.000 0.000 0.331 58 R C 0.596 176.883 176.300 -0.020 0.000 1.116 58 R CA 0.117 56.208 56.100 -0.014 0.000 0.970 58 R CB 1.024 31.321 30.300 -0.005 0.000 1.024 58 R HN 0.640 nan 8.270 nan 0.000 0.472 59 V N 2.329 122.228 119.914 -0.025 0.000 2.446 59 V HA 0.095 4.215 4.120 -0.000 0.000 0.244 59 V C 0.909 176.990 176.094 -0.022 0.000 1.039 59 V CA 1.780 64.062 62.300 -0.029 0.000 1.045 59 V CB -0.184 31.615 31.823 -0.039 0.000 0.681 59 V HN 0.834 nan 8.190 nan 0.000 0.459 60 A N -1.090 121.721 122.820 -0.015 0.000 2.515 60 A HA 0.468 4.788 4.320 -0.000 0.000 0.292 60 A C -0.643 176.941 177.584 -0.001 0.000 1.065 60 A CA -0.513 51.519 52.037 -0.009 0.000 0.641 60 A CB 0.556 19.549 19.000 -0.012 0.000 1.306 60 A HN 0.163 nan 8.150 nan 0.000 0.441 61 E N 0.799 121.001 120.200 0.003 0.000 2.465 61 E HA 0.129 4.479 4.350 -0.000 0.000 0.260 61 E C 0.189 176.798 176.600 0.015 0.000 0.980 61 E CA 0.903 57.307 56.400 0.008 0.000 0.927 61 E CB -0.012 29.693 29.700 0.008 0.000 0.934 61 E HN 0.565 nan 8.360 nan 0.000 0.459 62 N N 1.290 120.002 118.700 0.020 0.000 2.900 62 N HA -0.236 4.504 4.740 -0.000 0.000 0.240 62 N C -0.794 174.739 175.510 0.038 0.000 0.953 62 N CA 0.875 53.945 53.050 0.033 0.000 0.950 62 N CB -0.904 37.606 38.487 0.038 0.000 1.102 62 N HN 0.350 nan 8.380 nan 0.000 0.593 63 L N 1.613 122.849 121.223 0.022 0.000 2.319 63 L HA 0.478 4.818 4.340 -0.000 0.000 0.281 63 L C -0.267 176.602 176.870 -0.002 0.000 1.005 63 L CA -0.346 54.502 54.840 0.013 0.000 0.828 63 L CB 1.128 43.186 42.059 -0.003 0.000 1.227 63 L HN 0.016 nan 8.230 nan 0.000 0.415 64 R N 3.615 124.110 120.500 -0.008 0.000 2.686 64 R HA 0.743 5.083 4.340 -0.000 0.000 0.283 64 R C -1.400 174.844 176.300 -0.093 0.000 0.978 64 R CA -0.989 55.087 56.100 -0.041 0.000 0.897 64 R CB 2.480 32.766 30.300 -0.023 0.000 1.192 64 R HN 0.352 nan 8.270 nan 0.000 0.457 65 V N 4.194 124.038 119.914 -0.116 0.000 2.472 65 V HA 0.385 4.505 4.120 -0.000 0.000 0.290 65 V C -0.053 175.892 176.094 -0.248 0.000 1.037 65 V CA -0.702 61.500 62.300 -0.163 0.000 0.908 65 V CB 1.672 33.425 31.823 -0.116 0.000 0.985 65 V HN 0.540 nan 8.190 nan 0.000 0.454 66 I N 4.407 124.734 120.570 -0.405 0.000 2.354 66 I HA 0.366 4.536 4.170 -0.000 0.000 0.286 66 I C -0.096 175.835 176.117 -0.309 0.000 1.007 66 I CA -0.725 60.246 61.300 -0.548 0.000 1.167 66 I CB 1.148 38.448 38.000 -1.166 0.000 1.320 66 I HN 0.547 nan 8.210 nan 0.000 0.458 67 N N 7.064 125.649 118.700 -0.192 0.000 2.401 67 N HA 0.269 5.009 4.740 -0.000 0.000 0.255 67 N C -0.277 175.226 175.510 -0.012 0.000 1.110 67 N CA -0.310 52.707 53.050 -0.054 0.000 0.949 67 N CB 1.765 40.229 38.487 -0.040 0.000 1.110 67 N HN 0.373 nan 8.380 nan 0.000 0.490 68 I N 1.662 122.288 120.570 0.092 0.000 2.315 68 I HA 0.189 4.359 4.170 -0.000 0.000 0.291 68 I C 0.758 176.991 176.117 0.194 0.000 1.006 68 I CA -1.082 60.277 61.300 0.098 0.000 1.265 68 I CB 0.602 38.590 38.000 -0.021 0.000 1.387 68 I HN 0.333 nan 8.210 nan 0.000 0.475 69 A N 5.975 128.894 122.820 0.165 0.000 2.492 69 A HA 0.597 4.917 4.320 -0.000 0.000 0.254 69 A C 0.302 177.973 177.584 0.145 0.000 1.091 69 A CA -0.118 52.028 52.037 0.182 0.000 0.768 69 A CB 0.045 19.134 19.000 0.150 0.000 1.028 69 A HN 0.960 nan 8.150 nan 0.000 0.498 70 A N 3.005 125.913 122.820 0.146 0.000 2.626 70 A HA 0.678 4.998 4.320 -0.000 0.000 0.293 70 A C 0.343 177.971 177.584 0.073 0.000 1.111 70 A CA 0.475 52.590 52.037 0.129 0.000 0.874 70 A CB -0.069 19.082 19.000 0.251 0.000 1.451 70 A HN 2.908 nan 8.150 nan 0.000 0.396 71 G N 2.748 111.554 108.800 0.010 0.000 2.781 71 G HA2 0.076 4.036 3.960 -0.000 0.000 0.683 71 G HA3 0.076 4.036 3.960 -0.000 0.000 0.683 71 G C -2.367 172.480 174.900 -0.089 0.000 1.390 71 G CA -0.398 44.688 45.100 -0.023 0.000 0.850 71 G HN 0.961 nan 8.290 nan 0.000 0.557 72 P HA 0.134 nan 4.420 nan 0.000 0.268 72 P C 0.345 177.593 177.300 -0.088 0.000 1.208 72 P CA 0.115 63.115 63.100 -0.166 0.000 0.777 72 P CB 0.190 31.850 31.700 -0.068 0.000 0.875 73 Y N -0.044 120.269 120.300 0.022 0.000 2.483 73 Y HA -0.080 4.470 4.550 -0.000 0.000 0.291 73 Y C 1.464 177.372 175.900 0.012 0.000 1.143 73 Y CA 0.688 58.798 58.100 0.017 0.000 1.289 73 Y CB -0.250 38.219 38.460 0.015 0.000 0.983 73 Y HN 0.476 nan 8.280 nan 0.000 0.556 74 E N -2.929 117.351 120.200 0.133 0.000 2.401 74 E HA 0.508 4.858 4.350 -0.000 0.000 0.280 74 E C 0.089 176.715 176.600 0.044 0.000 1.039 74 E CA -0.447 56.002 56.400 0.082 0.000 0.814 74 E CB 1.466 31.213 29.700 0.079 0.000 1.275 74 E HN -0.048 nan 8.360 nan 0.000 0.448 75 G N 0.593 109.414 108.800 0.036 0.000 2.147 75 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.128 75 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.128 75 G C -0.998 173.916 174.900 0.023 0.000 1.026 75 G CA -0.168 44.947 45.100 0.025 0.000 0.693 75 G HN 0.299 nan 8.290 nan 0.000 0.499 76 L N 2.785 124.026 121.223 0.029 0.000 2.401 76 L HA 0.666 5.006 4.340 -0.000 0.000 0.263 76 L C 0.854 177.744 176.870 0.033 0.000 1.004 76 L CA -0.816 54.041 54.840 0.028 0.000 0.881 76 L CB 0.992 43.066 42.059 0.026 0.000 1.219 76 L HN 0.527 nan 8.230 nan 0.000 0.441 77 S N 2.204 117.924 115.700 0.035 0.000 2.614 77 S HA 0.241 4.711 4.470 -0.000 0.000 0.265 77 S C 1.322 175.950 174.600 0.047 0.000 1.303 77 S CA -0.281 57.944 58.200 0.042 0.000 1.000 77 S CB 1.105 64.331 63.200 0.043 0.000 0.935 77 S HN 0.629 nan 8.310 nan 0.000 0.551 78 K N 0.682 121.117 120.400 0.058 0.000 2.059 78 K HA -0.236 4.084 4.320 -0.000 0.000 0.212 78 K C 1.634 178.269 176.600 0.058 0.000 1.050 78 K CA 2.202 58.522 56.287 0.054 0.000 0.927 78 K CB -0.406 32.132 32.500 0.062 0.000 0.714 78 K HN 0.713 nan 8.250 nan 0.000 0.447 79 E N 0.599 120.845 120.200 0.078 0.000 2.219 79 E HA -0.180 4.170 4.350 -0.000 0.000 0.198 79 E C 1.645 178.293 176.600 0.080 0.000 0.998 79 E CA 1.278 57.735 56.400 0.094 0.000 0.818 79 E CB -0.039 29.709 29.700 0.080 0.000 0.741 79 E HN 0.380 nan 8.360 nan 0.000 0.477 80 E N -0.256 119.976 120.200 0.055 0.000 2.400 80 E HA 0.070 4.420 4.350 -0.000 0.000 0.195 80 E C 1.991 178.610 176.600 0.031 0.000 1.012 80 E CA 0.015 56.441 56.400 0.044 0.000 0.875 80 E CB -0.081 29.639 29.700 0.034 0.000 0.859 80 E HN 0.303 nan 8.360 nan 0.000 0.498 81 L N 1.226 122.458 121.223 0.014 0.000 2.261 81 L HA -0.137 4.203 4.340 -0.000 0.000 0.216 81 L C -0.667 176.179 176.870 -0.041 0.000 1.114 81 L CA 1.013 55.840 54.840 -0.022 0.000 0.777 81 L CB -1.449 40.580 42.059 -0.050 0.000 0.910 81 L HN 0.085 nan 8.230 nan 0.000 0.440 82 P HA -0.229 nan 4.420 nan 0.000 0.216 82 P C 1.656 178.972 177.300 0.027 0.000 1.154 82 P CA 2.104 65.211 63.100 0.012 0.000 0.865 82 P CB -0.314 31.463 31.700 0.127 0.000 0.789 83 T N -3.444 111.130 114.554 0.032 0.000 2.897 83 T HA -0.180 4.170 4.350 -0.000 0.000 0.271 83 T C 1.482 176.198 174.700 0.027 0.000 1.084 83 T CA 1.066 63.184 62.100 0.030 0.000 1.123 83 T CB -0.759 68.125 68.868 0.027 0.000 0.865 83 T HN 0.112 nan 8.240 nan 0.000 0.496 84 Q N 0.255 120.069 119.800 0.023 0.000 2.280 84 Q HA 0.379 4.719 4.340 -0.000 0.000 0.202 84 Q C 2.035 178.077 176.000 0.069 0.000 0.903 84 Q CA -0.060 55.770 55.803 0.045 0.000 0.948 84 Q CB -0.168 28.599 28.738 0.049 0.000 1.058 84 Q HN 0.544 nan 8.270 nan 0.000 0.493 85 L N 0.023 121.270 121.223 0.040 0.000 2.012 85 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 85 L C 2.297 179.214 176.870 0.079 0.000 1.073 85 L CA 1.704 56.576 54.840 0.054 0.000 0.748 85 L CB -0.528 41.546 42.059 0.025 0.000 0.891 85 L HN 0.184 nan 8.230 nan 0.000 0.431 86 A N -0.533 122.313 122.820 0.043 0.000 1.897 86 A HA -0.085 4.235 4.320 -0.000 0.000 0.215 86 A C 2.487 180.090 177.584 0.031 0.000 1.181 86 A CA 1.498 53.545 52.037 0.018 0.000 0.620 86 A CB -0.698 18.302 19.000 0.000 0.000 0.821 86 A HN 0.402 nan 8.150 nan 0.000 0.443 87 A N -1.092 121.762 122.820 0.058 0.000 1.877 87 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 87 A C 2.060 179.700 177.584 0.093 0.000 1.186 87 A CA 1.588 53.662 52.037 0.063 0.000 0.620 87 A CB -0.744 18.297 19.000 0.069 0.000 0.822 87 A HN 0.667 nan 8.150 nan 0.000 0.443 88 F N 1.531 121.481 119.950 -0.001 0.000 2.134 88 F HA -0.150 4.377 4.527 0.000 0.000 0.299 88 F C 2.451 178.247 175.800 -0.008 0.000 1.097 88 F CA 2.239 60.244 58.000 0.009 0.000 1.264 88 F CB -0.633 38.371 39.000 0.007 0.000 1.001 88 F HN 0.217 nan 8.300 nan 0.000 0.479 89 T N -0.132 114.425 114.554 0.004 0.000 2.684 89 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 89 T C 2.188 176.783 174.700 -0.175 0.000 1.036 89 T CA 1.554 63.569 62.100 -0.141 0.000 1.148 89 T CB -1.321 67.494 68.868 -0.088 0.000 0.863 89 T HN 0.463 nan 8.240 nan 0.000 0.436 90 G N 0.967 109.712 108.800 -0.092 0.000 2.442 90 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.219 90 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.219 90 G C 1.719 176.591 174.900 -0.047 0.000 1.141 90 G CA 1.036 46.102 45.100 -0.056 0.000 0.763 90 G HN 0.582 nan 8.290 nan 0.000 0.554 91 G N 0.822 109.572 108.800 -0.084 0.000 2.446 91 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 91 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 91 G C 1.896 176.770 174.900 -0.044 0.000 1.168 91 G CA 1.117 46.178 45.100 -0.065 0.000 0.771 91 G HN 0.425 nan 8.290 nan 0.000 0.551 92 M N -0.361 119.110 119.600 -0.215 0.000 2.117 92 M HA 0.002 4.482 4.480 -0.000 0.000 0.262 92 M C 2.465 178.833 176.300 0.114 0.000 1.065 92 M CA 0.758 55.988 55.300 -0.117 0.000 1.114 92 M CB -0.353 31.988 32.600 -0.431 0.000 1.361 92 M HN 0.107 nan 8.290 nan 0.000 0.408 93 L N 0.104 121.353 121.223 0.045 0.000 2.012 93 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 93 L C 2.626 179.590 176.870 0.157 0.000 1.073 93 L CA 1.929 56.851 54.840 0.136 0.000 0.748 93 L CB -1.541 40.544 42.059 0.044 0.000 0.891 93 L HN 0.277 nan 8.230 nan 0.000 0.431 94 S N -0.558 115.213 115.700 0.118 0.000 2.359 94 S HA -0.235 4.235 4.470 -0.000 0.000 0.224 94 S C 1.887 176.576 174.600 0.148 0.000 1.035 94 S CA 1.411 59.679 58.200 0.112 0.000 1.018 94 S CB -0.770 62.491 63.200 0.102 0.000 0.876 94 S HN 0.402 nan 8.310 nan 0.000 0.448 95 F N 3.207 123.214 119.950 0.094 0.000 2.095 95 F HA -0.228 4.299 4.527 0.000 0.000 0.298 95 F C 2.749 178.635 175.800 0.143 0.000 1.104 95 F CA 1.984 60.061 58.000 0.129 0.000 1.232 95 F CB -1.043 38.075 39.000 0.196 0.000 0.987 95 F HN 0.331 nan 8.300 nan 0.000 0.475 96 T N -1.547 113.158 114.554 0.253 0.000 2.867 96 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 96 T C 2.212 176.896 174.700 -0.026 0.000 1.057 96 T CA 1.303 63.483 62.100 0.134 0.000 1.136 96 T CB -0.603 68.436 68.868 0.285 0.000 0.874 96 T HN 0.389 nan 8.240 nan 0.000 0.466 97 R N 0.710 121.224 120.500 0.024 0.000 2.066 97 R HA 0.068 4.408 4.340 -0.000 0.000 0.232 97 R C 2.900 179.156 176.300 -0.074 0.000 1.131 97 R CA 0.941 57.036 56.100 -0.008 0.000 0.955 97 R CB -0.222 30.099 30.300 0.035 0.000 0.851 97 R HN 0.355 nan 8.270 nan 0.000 0.432 98 R N 0.397 120.834 120.500 -0.105 0.000 2.073 98 R HA -0.104 4.236 4.340 -0.000 0.000 0.234 98 R C 1.376 177.550 176.300 -0.209 0.000 1.134 98 R CA 1.597 57.615 56.100 -0.137 0.000 0.952 98 R CB 0.040 30.258 30.300 -0.137 0.000 0.850 98 R HN 0.249 nan 8.270 nan 0.000 0.433 99 E N 0.555 120.539 120.200 -0.361 0.000 2.489 99 E HA -0.043 4.307 4.350 -0.000 0.000 0.193 99 E C -0.168 176.291 176.600 -0.236 0.000 1.057 99 E CA 0.137 56.315 56.400 -0.370 0.000 0.866 99 E CB 0.297 29.596 29.700 -0.668 0.000 0.916 99 E HN 0.191 nan 8.360 nan 0.000 0.500 100 K N 0.416 120.703 120.400 -0.188 0.000 3.148 100 K HA -0.157 4.163 4.320 -0.000 0.000 0.267 100 K C -0.539 175.952 176.600 -0.181 0.000 0.996 100 K CA 0.332 56.529 56.287 -0.151 0.000 0.737 100 K CB -1.408 31.021 32.500 -0.119 0.000 1.308 100 K HN 0.025 nan 8.250 nan 0.000 0.470 101 V N 0.283 120.066 119.914 -0.218 0.000 2.459 101 V HA 0.526 4.646 4.120 -0.000 0.000 0.295 101 V C -0.207 175.607 176.094 -0.466 0.000 1.029 101 V CA -0.145 61.973 62.300 -0.304 0.000 0.874 101 V CB 2.126 33.803 31.823 -0.244 0.000 0.985 101 V HN 0.257 nan 8.190 nan 0.000 0.438 102 T N 6.368 120.589 114.554 -0.555 0.000 2.856 102 T HA 0.670 5.020 4.350 -0.000 0.000 0.283 102 T C -1.423 172.848 174.700 -0.714 0.000 1.008 102 T CA -0.005 61.750 62.100 -0.576 0.000 0.997 102 T CB 1.082 69.746 68.868 -0.340 0.000 0.992 102 T HN 0.598 nan 8.240 nan 0.000 0.454 103 Y N 0.808 120.899 120.300 -0.349 0.000 2.487 103 Y HA 0.354 4.904 4.550 0.000 0.000 0.337 103 Y C 1.407 177.251 175.900 -0.093 0.000 1.076 103 Y CA -0.894 57.102 58.100 -0.174 0.000 1.115 103 Y CB 1.200 39.582 38.460 -0.130 0.000 1.235 103 Y HN 0.623 nan 8.280 nan 0.000 0.468 104 D N 1.055 121.527 120.400 0.120 0.000 2.271 104 D HA 0.075 4.715 4.640 -0.000 0.000 0.206 104 D C -0.208 176.144 176.300 0.086 0.000 0.967 104 D CA 0.973 55.017 54.000 0.074 0.000 0.867 104 D CB 0.918 41.748 40.800 0.050 0.000 0.960 104 D HN 0.385 nan 8.370 nan 0.000 0.509 105 L N -0.228 121.053 121.223 0.097 0.000 2.653 105 L HA 0.394 4.734 4.340 -0.000 0.000 0.257 105 L C -2.030 174.865 176.870 0.042 0.000 0.969 105 L CA -0.666 54.195 54.840 0.035 0.000 0.869 105 L CB 2.231 44.230 42.059 -0.100 0.000 1.439 105 L HN -0.310 nan 8.230 nan 0.000 0.414 106 I N 2.105 122.710 120.570 0.058 0.000 2.530 106 I HA 0.416 4.586 4.170 -0.000 0.000 0.297 106 I C -0.902 175.270 176.117 0.091 0.000 1.011 106 I CA -0.365 60.981 61.300 0.077 0.000 1.107 106 I CB 1.799 39.872 38.000 0.121 0.000 1.285 106 I HN 0.584 nan 8.210 nan 0.000 0.436 107 H N 4.692 123.761 119.070 -0.002 0.000 2.860 107 H HA 0.471 5.027 4.556 -0.000 0.000 0.312 107 H C -0.835 174.492 175.328 -0.000 0.000 0.995 107 H CA -0.676 55.376 56.048 0.007 0.000 1.311 107 H CB 1.097 30.897 29.762 0.062 0.000 1.478 107 H HN 0.696 nan 8.280 nan 0.000 0.508 108 S N 4.500 120.349 115.700 0.249 0.000 2.578 108 S HA 0.347 4.817 4.470 -0.000 0.000 0.283 108 S C -0.626 173.979 174.600 0.009 0.000 1.195 108 S CA -0.865 57.455 58.200 0.200 0.000 1.050 108 S CB 1.635 65.028 63.200 0.322 0.000 1.012 108 S HN 0.669 nan 8.310 nan 0.000 0.511 109 H N 1.398 120.618 119.070 0.250 0.000 2.589 109 H HA 0.422 4.978 4.556 -0.000 0.000 0.335 109 H C -0.870 174.710 175.328 0.421 0.000 1.019 109 H CA 0.000 56.209 56.048 0.268 0.000 1.213 109 H CB 0.863 30.742 29.762 0.195 0.000 1.472 109 H HN 0.828 nan 8.280 nan 0.000 0.508 110 Y N 2.048 122.578 120.300 0.382 0.000 2.517 110 Y HA -0.291 4.259 4.550 -0.000 0.000 0.021 110 Y C 0.693 176.800 175.900 0.346 0.000 1.713 110 Y CA -0.192 58.109 58.100 0.334 0.000 1.412 110 Y CB -0.233 38.371 38.460 0.240 0.000 2.058 110 Y HN 0.783 nan 8.280 nan 0.000 0.255 111 W N 4.054 125.166 121.300 -0.314 0.000 2.374 111 W HA -0.120 4.540 4.660 -0.000 0.000 0.288 111 W C 1.242 177.692 176.519 -0.116 0.000 1.218 111 W CA 1.601 58.822 57.345 -0.207 0.000 1.245 111 W CB -1.256 28.005 29.460 -0.332 0.000 1.126 111 W HN 0.663 nan 8.180 nan 0.000 0.545 112 L N 1.872 122.464 121.223 -1.051 0.000 1.970 112 L HA -0.261 4.079 4.340 -0.000 0.000 0.212 112 L C 2.965 179.699 176.870 -0.228 0.000 1.071 112 L CA 2.343 56.714 54.840 -0.782 0.000 0.751 112 L CB -1.308 40.288 42.059 -0.773 0.000 0.889 112 L HN -0.115 nan 8.230 nan 0.000 0.432 113 S N -0.077 115.596 115.700 -0.046 0.000 2.383 113 S HA -0.165 4.305 4.470 -0.000 0.000 0.229 113 S C 1.956 176.629 174.600 0.121 0.000 1.030 113 S CA 1.246 59.503 58.200 0.096 0.000 1.002 113 S CB -0.683 62.647 63.200 0.217 0.000 0.829 113 S HN 0.649 nan 8.310 nan 0.000 0.467 114 G N 1.208 110.064 108.800 0.093 0.000 2.404 114 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.215 114 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.215 114 G C 1.360 176.273 174.900 0.021 0.000 1.174 114 G CA 0.440 45.498 45.100 -0.070 0.000 0.780 114 G HN 0.329 nan 8.290 nan 0.000 0.537 115 Q N 0.325 120.171 119.800 0.076 0.000 2.112 115 Q HA -0.115 4.225 4.340 -0.000 0.000 0.206 115 Q C 2.970 179.045 176.000 0.125 0.000 0.987 115 Q CA 1.300 57.216 55.803 0.190 0.000 0.858 115 Q CB -0.880 27.965 28.738 0.177 0.000 0.905 115 Q HN 0.399 nan 8.270 nan 0.000 0.420 116 V N 0.373 120.333 119.914 0.078 0.000 2.255 116 V HA -0.231 3.889 4.120 -0.000 0.000 0.247 116 V C 2.370 178.468 176.094 0.007 0.000 1.051 116 V CA 2.096 64.431 62.300 0.058 0.000 1.018 116 V CB -1.338 30.584 31.823 0.165 0.000 0.641 116 V HN 0.480 nan 8.190 nan 0.000 0.445 117 G N -1.488 107.345 108.800 0.055 0.000 2.432 117 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.219 117 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.219 117 G C 1.331 176.287 174.900 0.092 0.000 1.135 117 G CA 0.742 45.866 45.100 0.041 0.000 0.767 117 G HN 0.614 nan 8.290 nan 0.000 0.550 118 W N 1.031 122.278 121.300 -0.089 0.000 2.358 118 W HA 0.092 4.752 4.660 -0.000 0.000 0.303 118 W C 2.138 178.595 176.519 -0.103 0.000 1.208 118 W CA 0.861 58.157 57.345 -0.082 0.000 1.274 118 W CB -0.713 28.702 29.460 -0.075 0.000 1.138 118 W HN 0.168 nan 8.180 nan 0.000 0.515 119 L N 0.064 121.200 121.223 -0.145 0.000 2.027 119 L HA -0.159 4.181 4.340 -0.000 0.000 0.206 119 L C 2.507 179.194 176.870 -0.305 0.000 1.074 119 L CA 1.521 56.172 54.840 -0.315 0.000 0.745 119 L CB -0.645 41.240 42.059 -0.290 0.000 0.898 119 L HN -0.076 nan 8.230 nan 0.000 0.433 120 L N -0.101 120.909 121.223 -0.355 0.000 2.131 120 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 120 L C 2.772 179.386 176.870 -0.426 0.000 1.092 120 L CA 1.390 55.825 54.840 -0.675 0.000 0.759 120 L CB -0.516 41.001 42.059 -0.903 0.000 0.903 120 L HN 0.414 nan 8.230 nan 0.000 0.435 121 R N -0.617 119.810 120.500 -0.122 0.000 2.093 121 R HA -0.081 4.259 4.340 -0.000 0.000 0.224 121 R C 1.581 177.915 176.300 0.057 0.000 1.101 121 R CA 1.365 57.494 56.100 0.048 0.000 0.979 121 R CB -0.822 29.549 30.300 0.118 0.000 0.877 121 R HN 0.144 nan 8.270 nan 0.000 0.441 122 D N 0.504 120.908 120.400 0.007 0.000 2.144 122 D HA -0.101 4.539 4.640 -0.000 0.000 0.200 122 D C 1.737 178.028 176.300 -0.014 0.000 0.978 122 D CA 0.990 54.994 54.000 0.006 0.000 0.833 122 D CB -0.118 40.661 40.800 -0.035 0.000 0.961 122 D HN 0.186 nan 8.370 nan 0.000 0.470 123 L N -0.184 120.978 121.223 -0.101 0.000 2.044 123 L HA -0.070 4.270 4.340 -0.000 0.000 0.205 123 L C 1.588 178.522 176.870 0.107 0.000 1.075 123 L CA 1.373 56.163 54.840 -0.084 0.000 0.747 123 L CB -0.606 41.295 42.059 -0.262 0.000 0.903 123 L HN 0.065 nan 8.230 nan 0.000 0.435 124 W N 0.583 121.895 121.300 0.019 0.000 3.047 124 W HA 0.190 4.850 4.660 0.000 0.000 0.250 124 W C 0.679 177.219 176.519 0.035 0.000 1.314 124 W CA -0.079 57.285 57.345 0.032 0.000 1.540 124 W CB -0.785 28.706 29.460 0.052 0.000 1.127 124 W HN 0.188 nan 8.180 nan 0.000 0.679 125 R N 0.492 121.124 120.500 0.220 0.000 3.264 125 R HA -0.210 4.130 4.340 -0.000 0.000 0.251 125 R C -0.077 176.315 176.300 0.153 0.000 0.971 125 R CA 1.013 57.202 56.100 0.148 0.000 0.658 125 R CB -2.715 27.651 30.300 0.109 0.000 1.095 125 R HN 0.314 nan 8.270 nan 0.000 0.443 126 I N -3.926 116.754 120.570 0.183 0.000 3.145 126 I HA 0.792 4.962 4.170 -0.000 0.000 0.313 126 I C -2.666 173.530 176.117 0.132 0.000 1.122 126 I CA -3.289 58.108 61.300 0.161 0.000 0.987 126 I CB 2.707 40.829 38.000 0.203 0.000 1.236 126 I HN -0.259 nan 8.210 nan 0.000 0.453 127 P HA 0.393 nan 4.420 nan 0.000 0.284 127 P C -1.189 176.158 177.300 0.078 0.000 1.258 127 P CA -0.460 62.689 63.100 0.081 0.000 0.824 127 P CB 1.232 32.968 31.700 0.060 0.000 1.038 128 L N 3.075 124.341 121.223 0.070 0.000 2.307 128 L HA 0.480 4.820 4.340 -0.000 0.000 0.284 128 L C -1.079 175.817 176.870 0.043 0.000 1.023 128 L CA -0.464 54.419 54.840 0.071 0.000 0.810 128 L CB 0.440 42.548 42.059 0.081 0.000 1.231 128 L HN 0.132 nan 8.230 nan 0.000 0.423 129 I N 4.849 125.436 120.570 0.028 0.000 2.354 129 I HA 0.330 4.500 4.170 -0.000 0.000 0.292 129 I C -0.575 175.589 176.117 0.077 0.000 0.989 129 I CA -0.477 60.796 61.300 -0.045 0.000 1.188 129 I CB 0.866 38.689 38.000 -0.294 0.000 1.342 129 I HN 0.674 nan 8.210 nan 0.000 0.457 130 H N 4.267 123.316 119.070 -0.033 0.000 2.505 130 H HA 0.586 5.142 4.556 -0.000 0.000 0.338 130 H C -0.962 174.362 175.328 -0.007 0.000 1.057 130 H CA -0.200 55.854 56.048 0.010 0.000 1.202 130 H CB 1.372 31.119 29.762 -0.025 0.000 1.466 130 H HN 0.523 nan 8.280 nan 0.000 0.499 131 T N 5.408 119.564 114.554 -0.664 0.000 2.842 131 T HA 0.403 4.753 4.350 -0.000 0.000 0.308 131 T C 1.194 175.429 174.700 -0.773 0.000 1.041 131 T CA 0.018 61.741 62.100 -0.629 0.000 0.964 131 T CB 1.231 69.845 68.868 -0.423 0.000 0.972 131 T HN 0.806 nan 8.240 nan 0.000 0.460 132 A N 2.941 125.408 122.820 -0.588 0.000 1.883 132 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 132 A C 1.665 179.318 177.584 0.115 0.000 1.186 132 A CA 1.977 53.919 52.037 -0.157 0.000 0.624 132 A CB -0.652 18.290 19.000 -0.096 0.000 0.822 132 A HN 1.074 nan 8.150 nan 0.000 0.444 133 H N -1.128 117.966 119.070 0.039 0.000 5.008 133 H HA -0.199 4.357 4.556 -0.000 0.000 0.066 133 H C 0.541 175.947 175.328 0.131 0.000 0.566 133 H CA 2.128 58.240 56.048 0.107 0.000 1.018 133 H CB -2.197 27.654 29.762 0.149 0.000 0.468 133 H HN 0.862 nan 8.280 nan 0.000 0.767 134 T N -0.730 114.005 114.554 0.301 0.000 2.868 134 T HA 0.735 5.085 4.350 -0.000 0.000 0.306 134 T C -0.450 174.339 174.700 0.148 0.000 1.224 134 T CA -0.967 61.251 62.100 0.196 0.000 1.012 134 T CB 2.939 71.922 68.868 0.191 0.000 1.221 134 T HN 0.199 nan 8.240 nan 0.000 0.499 135 L N 1.217 122.482 121.223 0.071 0.000 2.408 135 L HA 0.713 5.053 4.340 -0.000 0.000 0.268 135 L C 1.560 178.447 176.870 0.029 0.000 0.986 135 L CA -1.249 53.610 54.840 0.031 0.000 0.820 135 L CB 1.876 43.949 42.059 0.024 0.000 1.303 135 L HN 0.954 nan 8.230 nan 0.000 0.411 136 A N 2.372 125.191 122.820 -0.003 0.000 1.892 136 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 136 A C 2.044 179.606 177.584 -0.035 0.000 1.188 136 A CA 2.210 54.221 52.037 -0.043 0.000 0.631 136 A CB -0.630 18.298 19.000 -0.120 0.000 0.822 136 A HN 0.870 nan 8.150 nan 0.000 0.447 137 A N -1.423 121.400 122.820 0.005 0.000 2.239 137 A HA 0.431 4.751 4.320 -0.000 0.000 0.209 137 A C 0.759 178.157 177.584 -0.309 0.000 1.171 137 A CA 0.947 52.892 52.037 -0.154 0.000 0.768 137 A CB -0.415 18.392 19.000 -0.321 0.000 0.790 137 A HN 0.337 nan 8.150 nan 0.000 0.478 148 T N -2.758 111.778 114.554 -0.031 0.000 2.926 148 T HA 0.652 5.002 4.350 -0.000 0.000 0.289 148 T C -2.060 172.621 174.700 -0.031 0.000 1.054 148 T CA -1.780 60.305 62.100 -0.025 0.000 1.015 148 T CB 2.131 70.989 68.868 -0.017 0.000 1.167 148 T HN -0.309 nan 8.240 nan 0.000 0.526 149 P HA -0.103 nan 4.420 nan 0.000 0.219 149 P C 1.508 178.786 177.300 -0.035 0.000 1.146 149 P CA 0.890 63.974 63.100 -0.028 0.000 0.808 149 P CB 0.104 31.795 31.700 -0.015 0.000 0.779 150 E N -0.005 120.181 120.200 -0.025 0.000 2.107 150 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 150 E C 1.776 178.333 176.600 -0.073 0.000 0.982 150 E CA 1.707 58.094 56.400 -0.022 0.000 0.809 150 E CB -1.283 28.428 29.700 0.017 0.000 0.756 150 E HN 0.347 nan 8.360 nan 0.000 0.459 151 S N 1.365 117.019 115.700 -0.076 0.000 2.377 151 S HA -0.051 4.419 4.470 -0.000 0.000 0.223 151 S C 1.844 176.352 174.600 -0.152 0.000 1.030 151 S CA 0.487 58.615 58.200 -0.120 0.000 0.970 151 S CB -0.107 63.044 63.200 -0.081 0.000 0.830 151 S HN 0.035 nan 8.310 nan 0.000 0.473 152 E N 2.125 122.259 120.200 -0.111 0.000 2.160 152 E HA -0.068 4.282 4.350 -0.000 0.000 0.195 152 E C 2.307 178.824 176.600 -0.139 0.000 0.991 152 E CA 1.220 57.553 56.400 -0.111 0.000 0.810 152 E CB -0.584 29.071 29.700 -0.076 0.000 0.742 152 E HN 0.670 nan 8.360 nan 0.000 0.466 153 A N 1.433 124.165 122.820 -0.146 0.000 1.898 153 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 153 A C 2.216 179.591 177.584 -0.348 0.000 1.181 153 A CA 1.573 53.511 52.037 -0.166 0.000 0.620 153 A CB -0.431 18.510 19.000 -0.099 0.000 0.819 153 A HN 0.169 nan 8.150 nan 0.000 0.442 154 R N -0.548 119.636 120.500 -0.528 0.000 2.066 154 R HA -0.104 4.236 4.340 -0.000 0.000 0.232 154 R C 2.397 178.268 176.300 -0.715 0.000 1.131 154 R CA 1.360 56.807 56.100 -1.088 0.000 0.955 154 R CB -0.421 29.230 30.300 -1.082 0.000 0.851 154 R HN 0.472 nan 8.270 nan 0.000 0.432 155 R N 0.652 120.934 120.500 -0.363 0.000 2.115 155 R HA -0.187 4.153 4.340 -0.000 0.000 0.239 155 R C 2.374 178.635 176.300 -0.065 0.000 1.133 155 R CA 2.370 58.396 56.100 -0.123 0.000 0.935 155 R CB -0.575 29.654 30.300 -0.119 0.000 0.853 155 R HN 0.336 nan 8.270 nan 0.000 0.433 156 I N 0.214 120.715 120.570 -0.115 0.000 2.236 156 I HA -0.436 3.734 4.170 -0.000 0.000 0.249 156 I C 2.510 178.596 176.117 -0.052 0.000 1.102 156 I CA 1.429 62.690 61.300 -0.066 0.000 1.365 156 I CB -0.218 37.743 38.000 -0.065 0.000 1.051 156 I HN 0.398 nan 8.210 nan 0.000 0.420 157 C N 0.014 119.236 119.300 -0.130 0.000 2.467 157 C HA -0.073 4.386 4.460 -0.000 0.000 0.279 157 C C 2.592 177.550 174.990 -0.053 0.000 1.347 157 C CA 0.373 59.367 59.018 -0.041 0.000 1.748 157 C CB -0.940 26.811 27.740 0.018 0.000 1.977 157 C HN 0.485 nan 8.230 nan 0.000 0.501 158 E N 0.459 120.588 120.200 -0.117 0.000 2.072 158 E HA -0.250 4.100 4.350 -0.000 0.000 0.191 158 E C 2.159 178.711 176.600 -0.080 0.000 0.985 158 E CA 1.007 57.332 56.400 -0.125 0.000 0.801 158 E CB -0.227 29.361 29.700 -0.185 0.000 0.750 158 E HN 0.477 nan 8.360 nan 0.000 0.452 159 Q N 1.261 121.138 119.800 0.129 0.000 2.112 159 Q HA -0.236 4.104 4.340 -0.000 0.000 0.206 159 Q C 1.870 177.847 176.000 -0.038 0.000 0.987 159 Q CA 1.776 57.672 55.803 0.156 0.000 0.858 159 Q CB -0.086 28.730 28.738 0.130 0.000 0.905 159 Q HN 0.279 nan 8.270 nan 0.000 0.420 160 Q N -0.784 118.956 119.800 -0.100 0.000 2.124 160 Q HA -0.099 4.241 4.340 -0.000 0.000 0.202 160 Q C 2.088 177.776 176.000 -0.521 0.000 0.977 160 Q CA 1.400 57.040 55.803 -0.271 0.000 0.850 160 Q CB -0.052 28.587 28.738 -0.166 0.000 0.901 160 Q HN 0.399 nan 8.270 nan 0.000 0.429 161 L N -0.626 120.360 121.223 -0.395 0.000 2.044 161 L HA -0.153 4.187 4.340 -0.000 0.000 0.205 161 L C 2.317 178.991 176.870 -0.327 0.000 1.075 161 L CA 0.534 55.097 54.840 -0.462 0.000 0.747 161 L CB -0.503 41.288 42.059 -0.446 0.000 0.903 161 L HN 0.075 nan 8.230 nan 0.000 0.435 162 V N 0.323 120.110 119.914 -0.211 0.000 2.250 162 V HA -0.366 3.754 4.120 -0.000 0.000 0.250 162 V C 1.885 177.893 176.094 -0.145 0.000 1.060 162 V CA 2.221 64.440 62.300 -0.135 0.000 1.030 162 V CB -0.534 31.246 31.823 -0.073 0.000 0.643 162 V HN 0.491 nan 8.190 nan 0.000 0.445 163 D N -0.683 119.612 120.400 -0.175 0.000 2.378 163 D HA -0.061 4.579 4.640 -0.000 0.000 0.222 163 D C 1.646 177.808 176.300 -0.230 0.000 0.980 163 D CA 0.742 54.642 54.000 -0.167 0.000 0.907 163 D CB -0.106 40.609 40.800 -0.142 0.000 0.899 163 D HN 0.532 nan 8.370 nan 0.000 0.527 164 N N -0.609 117.872 118.700 -0.366 0.000 2.324 164 N HA 0.092 4.832 4.740 -0.000 0.000 0.235 164 N C 0.476 175.802 175.510 -0.308 0.000 1.162 164 N CA -0.029 52.763 53.050 -0.431 0.000 0.834 164 N CB 0.789 38.671 38.487 -1.008 0.000 1.354 164 N HN -0.036 nan 8.380 nan 0.000 0.471 165 A N 1.590 124.240 122.820 -0.284 0.000 2.520 165 A HA 0.034 4.354 4.320 -0.000 0.000 0.235 165 A C 0.846 178.390 177.584 -0.067 0.000 1.065 165 A CA 0.309 52.267 52.037 -0.133 0.000 0.764 165 A CB 0.288 19.248 19.000 -0.065 0.000 1.002 165 A HN 0.123 nan 8.150 nan 0.000 0.502 166 D N -0.040 120.348 120.400 -0.020 0.000 2.149 166 D HA 0.019 4.659 4.640 -0.000 0.000 0.201 166 D C 0.107 176.403 176.300 -0.006 0.000 0.972 166 D CA 1.544 55.543 54.000 -0.002 0.000 0.835 166 D CB 0.033 40.847 40.800 0.022 0.000 0.966 166 D HN 0.238 nan 8.370 nan 0.000 0.476 167 V N 1.318 121.228 119.914 -0.006 0.000 2.733 167 V HA 0.255 4.375 4.120 -0.000 0.000 0.306 167 V C -0.461 175.622 176.094 -0.019 0.000 1.084 167 V CA -0.699 61.593 62.300 -0.014 0.000 0.905 167 V CB 2.618 34.434 31.823 -0.012 0.000 1.010 167 V HN -0.060 nan 8.190 nan 0.000 0.424 168 L N 4.238 125.445 121.223 -0.027 0.000 2.270 168 L HA 0.710 5.050 4.340 -0.000 0.000 0.286 168 L C 0.590 177.426 176.870 -0.056 0.000 1.059 168 L CA -0.359 54.461 54.840 -0.033 0.000 0.839 168 L CB 1.250 43.287 42.059 -0.037 0.000 1.221 168 L HN 0.765 nan 8.230 nan 0.000 0.431 169 A N 4.413 127.185 122.820 -0.080 0.000 2.269 169 A HA 0.607 4.927 4.320 -0.000 0.000 0.302 169 A C 0.020 177.538 177.584 -0.109 0.000 1.266 169 A CA -0.484 51.508 52.037 -0.074 0.000 0.894 169 A CB 0.566 19.536 19.000 -0.051 0.000 1.147 169 A HN 0.529 nan 8.150 nan 0.000 0.537 170 V N 1.053 120.918 119.914 -0.082 0.000 2.975 170 V HA 0.486 4.606 4.120 -0.000 0.000 0.318 170 V C 0.459 176.509 176.094 -0.073 0.000 1.077 170 V CA -0.645 61.601 62.300 -0.090 0.000 1.000 170 V CB 1.583 33.376 31.823 -0.051 0.000 1.066 170 V HN 0.810 nan 8.190 nan 0.000 0.452 171 N N 0.375 119.029 118.700 -0.077 0.000 2.356 171 N HA 0.176 4.916 4.740 -0.000 0.000 0.178 171 N C 0.387 175.865 175.510 -0.053 0.000 1.075 171 N CA 0.766 53.757 53.050 -0.098 0.000 0.889 171 N CB 0.475 38.876 38.487 -0.144 0.000 0.999 171 N HN 1.041 nan 8.380 nan 0.000 0.464 172 T N -4.218 110.336 114.554 -0.000 0.000 2.754 172 T HA 0.154 4.504 4.350 -0.000 0.000 0.296 172 T C 0.128 174.846 174.700 0.029 0.000 1.205 172 T CA -0.748 61.366 62.100 0.024 0.000 1.009 172 T CB 1.883 70.787 68.868 0.059 0.000 1.368 172 T HN -0.217 nan 8.240 nan 0.000 0.509 173 Q N -0.524 119.299 119.800 0.038 0.000 2.269 173 Q HA -0.011 4.329 4.340 -0.000 0.000 0.201 173 Q C 1.847 177.881 176.000 0.056 0.000 0.946 173 Q CA 0.700 56.526 55.803 0.038 0.000 0.877 173 Q CB 0.069 28.830 28.738 0.038 0.000 0.963 173 Q HN 0.772 nan 8.270 nan 0.000 0.472 174 E N 0.836 121.077 120.200 0.069 0.000 2.150 174 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 174 E C 1.342 178.004 176.600 0.103 0.000 0.985 174 E CA 0.912 57.367 56.400 0.091 0.000 0.814 174 E CB 0.201 29.955 29.700 0.089 0.000 0.752 174 E HN 0.405 nan 8.360 nan 0.000 0.466 175 E N 0.302 120.550 120.200 0.081 0.000 2.072 175 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 175 E C 2.135 178.772 176.600 0.061 0.000 0.985 175 E CA 1.101 57.544 56.400 0.073 0.000 0.801 175 E CB -0.154 29.572 29.700 0.044 0.000 0.750 175 E HN 0.265 nan 8.360 nan 0.000 0.452 176 M N 0.682 120.306 119.600 0.039 0.000 2.149 176 M HA -0.232 4.248 4.480 -0.000 0.000 0.261 176 M C 1.842 178.156 176.300 0.025 0.000 1.064 176 M CA 1.418 56.730 55.300 0.019 0.000 1.102 176 M CB 0.172 32.775 32.600 0.005 0.000 1.369 176 M HN -0.022 nan 8.290 nan 0.000 0.408 177 Q N 0.610 120.451 119.800 0.068 0.000 2.119 177 Q HA -0.161 4.179 4.340 -0.000 0.000 0.201 177 Q C 1.600 177.708 176.000 0.180 0.000 0.972 177 Q CA 1.629 57.488 55.803 0.093 0.000 0.847 177 Q CB -0.595 28.286 28.738 0.239 0.000 0.903 177 Q HN 0.628 nan 8.270 nan 0.000 0.433 178 D N 0.546 121.093 120.400 0.246 0.000 2.097 178 D HA -0.123 4.517 4.640 -0.000 0.000 0.195 178 D C 2.042 178.546 176.300 0.341 0.000 0.989 178 D CA 0.560 54.788 54.000 0.380 0.000 0.827 178 D CB -0.172 40.810 40.800 0.304 0.000 0.966 178 D HN 0.081 nan 8.370 nan 0.000 0.456 179 L N 0.488 121.822 121.223 0.184 0.000 2.043 179 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 179 L C 2.485 179.427 176.870 0.120 0.000 1.075 179 L CA 1.495 56.420 54.840 0.142 0.000 0.752 179 L CB -0.655 41.414 42.059 0.017 0.000 0.891 179 L HN 0.085 nan 8.230 nan 0.000 0.432 180 M N -2.397 117.193 119.600 -0.018 0.000 2.156 180 M HA -0.168 4.312 4.480 -0.000 0.000 0.264 180 M C 2.257 178.443 176.300 -0.190 0.000 1.067 180 M CA 1.477 56.684 55.300 -0.154 0.000 1.131 180 M CB -0.484 31.938 32.600 -0.297 0.000 1.368 180 M HN 0.306 nan 8.290 nan 0.000 0.416 181 H N -1.341 117.731 119.070 0.003 0.000 2.343 181 H HA -0.015 4.541 4.556 0.000 0.000 0.303 181 H C 1.909 177.109 175.328 -0.214 0.000 1.068 181 H CA 1.178 57.142 56.048 -0.141 0.000 1.359 181 H CB 0.071 29.686 29.762 -0.246 0.000 1.402 181 H HN 0.373 nan 8.280 nan 0.000 0.515 182 H N -1.481 117.667 119.070 0.130 0.000 2.525 182 H HA 0.031 4.587 4.556 -0.000 0.000 0.275 182 H C 0.478 175.617 175.328 -0.315 0.000 0.984 182 H CA 0.899 56.899 56.048 -0.079 0.000 1.264 182 H CB 0.595 30.314 29.762 -0.072 0.000 1.432 182 H HN 0.447 nan 8.280 nan 0.000 0.549 183 Y N -0.224 120.132 120.300 0.092 0.000 2.626 183 Y HA 0.112 4.662 4.550 -0.000 0.000 0.248 183 Y C 0.259 176.152 175.900 -0.011 0.000 1.147 183 Y CA -0.427 57.690 58.100 0.029 0.000 1.219 183 Y CB 0.827 39.298 38.460 0.018 0.000 1.279 183 Y HN -0.000 nan 8.280 nan 0.000 0.541 184 D N 0.988 121.435 120.400 0.079 0.000 2.751 184 D HA -0.201 4.439 4.640 -0.000 0.000 0.233 184 D C 0.245 176.557 176.300 0.020 0.000 1.149 184 D CA 0.650 54.663 54.000 0.022 0.000 0.682 184 D CB -0.661 40.143 40.800 0.006 0.000 1.068 184 D HN 0.372 nan 8.370 nan 0.000 0.429 185 A N 0.853 123.693 122.820 0.033 0.000 2.511 185 A HA 0.302 4.622 4.320 -0.000 0.000 0.242 185 A C 0.349 177.920 177.584 -0.022 0.000 1.069 185 A CA 0.304 52.344 52.037 0.006 0.000 0.763 185 A CB 0.493 19.495 19.000 0.004 0.000 1.001 185 A HN 0.369 nan 8.150 nan 0.000 0.498 186 D N 2.708 123.094 120.400 -0.024 0.000 2.343 186 D HA 0.305 4.945 4.640 -0.000 0.000 0.255 186 D C -1.807 174.476 176.300 -0.028 0.000 1.187 186 D CA -1.855 52.129 54.000 -0.026 0.000 0.875 186 D CB 1.053 41.839 40.800 -0.022 0.000 1.136 186 D HN 0.131 nan 8.370 nan 0.000 0.469 187 P HA -0.041 nan 4.420 nan 0.000 0.225 187 P C 0.477 177.763 177.300 -0.023 0.000 1.148 187 P CA 0.510 63.592 63.100 -0.031 0.000 0.779 187 P CB 0.312 31.992 31.700 -0.033 0.000 0.780 188 D N -1.038 119.351 120.400 -0.019 0.000 2.348 188 D HA -0.041 4.599 4.640 -0.000 0.000 0.216 188 D C 1.745 178.037 176.300 -0.014 0.000 0.970 188 D CA 0.644 54.636 54.000 -0.014 0.000 0.889 188 D CB -0.000 40.794 40.800 -0.011 0.000 0.912 188 D HN 0.141 nan 8.370 nan 0.000 0.524 189 R N -0.314 120.175 120.500 -0.019 0.000 2.307 189 R HA 0.242 4.582 4.340 -0.000 0.000 0.200 189 R C 0.759 177.045 176.300 -0.023 0.000 0.893 189 R CA -0.110 55.978 56.100 -0.020 0.000 1.042 189 R CB 1.044 31.328 30.300 -0.026 0.000 1.059 189 R HN 0.190 nan 8.270 nan 0.000 0.530 190 I N 0.809 121.364 120.570 -0.025 0.000 2.581 190 I HA 0.091 4.261 4.170 -0.000 0.000 0.288 190 I C 0.357 176.460 176.117 -0.023 0.000 1.047 190 I CA -0.030 61.254 61.300 -0.027 0.000 1.374 190 I CB 1.309 39.292 38.000 -0.028 0.000 1.423 190 I HN -0.159 nan 8.210 nan 0.000 0.549 191 S N 4.377 120.062 115.700 -0.026 0.000 2.649 191 S HA 0.424 4.894 4.470 -0.000 0.000 0.274 191 S C -0.935 173.651 174.600 -0.023 0.000 1.176 191 S CA -0.599 57.588 58.200 -0.022 0.000 0.988 191 S CB 1.258 64.444 63.200 -0.024 0.000 1.071 191 S HN 0.288 nan 8.310 nan 0.000 0.478 192 V N 4.965 124.869 119.914 -0.016 0.000 2.461 192 V HA 0.500 4.620 4.120 -0.000 0.000 0.275 192 V C -0.229 175.859 176.094 -0.010 0.000 1.047 192 V CA -0.378 61.914 62.300 -0.013 0.000 0.955 192 V CB 1.394 33.213 31.823 -0.006 0.000 0.988 192 V HN 0.686 nan 8.190 nan 0.000 0.471 193 V N 4.775 124.687 119.914 -0.004 0.000 2.380 193 V HA 0.338 4.458 4.120 -0.000 0.000 0.286 193 V C 0.136 176.234 176.094 0.006 0.000 1.015 193 V CA -0.489 61.821 62.300 0.017 0.000 0.834 193 V CB 1.962 33.827 31.823 0.070 0.000 1.009 193 V HN 0.988 nan 8.190 nan 0.000 0.428 194 S N 6.909 122.600 115.700 -0.014 0.000 2.537 194 S HA 0.643 5.113 4.470 -0.000 0.000 0.275 194 S C -2.281 172.260 174.600 -0.098 0.000 1.272 194 S CA -1.219 56.947 58.200 -0.056 0.000 1.050 194 S CB 1.532 64.720 63.200 -0.020 0.000 0.961 194 S HN 0.544 nan 8.310 nan 0.000 0.496 195 P HA 0.565 nan 4.420 nan 0.000 0.293 195 P C 0.249 177.244 177.300 -0.508 0.000 1.304 195 P CA -0.321 62.556 63.100 -0.372 0.000 0.767 195 P CB 0.488 31.665 31.700 -0.873 0.000 1.247 196 G N -2.083 106.067 108.800 -1.084 0.000 3.176 196 G HA2 0.718 4.678 3.960 -0.000 0.000 0.272 196 G HA3 0.718 4.678 3.960 -0.000 0.000 0.272 196 G C -1.826 172.016 174.900 -1.763 0.000 1.349 196 G CA -0.595 43.718 45.100 -1.312 0.000 0.953 196 G HN 0.660 nan 8.290 nan 0.000 0.559 197 A N -0.598 121.412 122.820 -1.351 0.000 2.594 197 A HA 0.561 4.881 4.320 -0.000 0.000 0.296 197 A C -1.869 175.669 177.584 -0.077 0.000 1.061 197 A CA -0.527 51.236 52.037 -0.457 0.000 0.689 197 A CB 1.821 20.768 19.000 -0.089 0.000 1.280 197 A HN 0.553 nan 8.150 nan 0.000 0.406 198 D N 1.961 122.646 120.400 0.475 0.000 2.402 198 D HA 0.299 4.939 4.640 -0.000 0.000 0.235 198 D C 0.469 176.962 176.300 0.322 0.000 1.226 198 D CA 0.407 54.677 54.000 0.450 0.000 0.918 198 D CB 1.092 42.149 40.800 0.429 0.000 1.043 198 D HN 0.132 nan 8.370 nan 0.000 0.506 199 V N 3.723 123.748 119.914 0.185 0.000 3.590 199 V HA 0.018 4.138 4.120 -0.000 0.000 0.265 199 V C 1.903 178.050 176.094 0.087 0.000 1.239 199 V CA 0.689 63.069 62.300 0.134 0.000 1.117 199 V CB 0.016 31.875 31.823 0.059 0.000 0.818 199 V HN 0.483 nan 8.190 nan 0.000 0.451 200 E N -0.398 119.843 120.200 0.068 0.000 2.086 200 E HA -0.107 4.243 4.350 -0.000 0.000 0.190 200 E C 1.977 178.577 176.600 0.001 0.000 0.975 200 E CA 0.772 57.191 56.400 0.032 0.000 0.813 200 E CB 0.105 29.821 29.700 0.027 0.000 0.768 200 E HN 0.396 nan 8.360 nan 0.000 0.457 201 L N 0.218 121.413 121.223 -0.047 0.000 1.988 201 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 201 L C 0.170 176.925 176.870 -0.192 0.000 1.071 201 L CA 1.441 56.170 54.840 -0.184 0.000 0.744 201 L CB -0.193 41.652 42.059 -0.357 0.000 0.893 201 L HN 0.007 nan 8.230 nan 0.000 0.433 202 Y N 0.864 121.230 120.300 0.110 0.000 2.531 202 Y HA 0.448 4.998 4.550 -0.000 0.000 0.347 202 Y C 0.439 176.376 175.900 0.062 0.000 1.024 202 Y CA -0.013 58.155 58.100 0.113 0.000 1.306 202 Y CB 0.053 38.575 38.460 0.105 0.000 1.149 202 Y HN 0.252 nan 8.280 nan 0.000 0.527 203 S N 2.514 118.325 115.700 0.186 0.000 2.586 203 S HA 0.364 4.834 4.470 -0.000 0.000 0.277 203 S C -2.759 171.894 174.600 0.089 0.000 1.131 203 S CA -1.382 56.880 58.200 0.103 0.000 0.848 203 S CB 1.921 65.160 63.200 0.065 0.000 1.091 203 S HN 0.158 nan 8.310 nan 0.000 0.453 204 P HA 0.132 nan 4.420 nan 0.000 0.215 204 P C 0.678 178.011 177.300 0.056 0.000 1.157 204 P CA 2.067 65.200 63.100 0.055 0.000 0.874 204 P CB -0.117 31.604 31.700 0.036 0.000 0.790 205 G N -1.159 107.668 108.800 0.045 0.000 2.564 205 G HA2 0.488 4.448 3.960 -0.000 0.000 0.282 205 G HA3 0.488 4.448 3.960 -0.000 0.000 0.282 205 G C -1.405 173.511 174.900 0.027 0.000 1.469 205 G CA -0.159 44.962 45.100 0.034 0.000 1.185 205 G HN 0.245 nan 8.290 nan 0.000 0.585 206 N N 1.704 120.417 118.700 0.022 0.000 4.346 206 N HA -0.135 4.605 4.740 -0.000 0.000 0.350 206 N C -0.593 174.929 175.510 0.020 0.000 2.184 206 N CA 0.160 53.221 53.050 0.019 0.000 2.760 206 N CB 0.042 38.541 38.487 0.018 0.000 0.369 206 N HN 0.355 nan 8.380 nan 0.000 0.578 207 D N 1.710 122.120 120.400 0.017 0.000 2.317 207 D HA 0.033 4.673 4.640 -0.000 0.000 0.211 207 D C 1.365 177.676 176.300 0.019 0.000 0.966 207 D CA 0.825 54.835 54.000 0.017 0.000 0.876 207 D CB 0.145 40.953 40.800 0.014 0.000 0.927 207 D HN 0.397 nan 8.370 nan 0.000 0.519 208 R N 0.386 120.898 120.500 0.019 0.000 2.312 208 R HA 0.332 4.672 4.340 -0.000 0.000 0.205 208 R C 1.769 178.084 176.300 0.025 0.000 0.904 208 R CA 0.253 56.365 56.100 0.021 0.000 1.052 208 R CB -0.125 30.185 30.300 0.017 0.000 1.014 208 R HN 0.106 nan 8.270 nan 0.000 0.503 209 A N 0.784 123.620 122.820 0.027 0.000 1.902 209 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 209 A C 2.075 179.682 177.584 0.038 0.000 1.181 209 A CA 1.914 53.971 52.037 0.033 0.000 0.623 209 A CB -0.638 18.384 19.000 0.036 0.000 0.818 209 A HN 0.182 nan 8.150 nan 0.000 0.443 210 T N 0.751 115.328 114.554 0.040 0.000 2.708 210 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 210 T C 1.777 176.500 174.700 0.038 0.000 1.037 210 T CA 1.556 63.681 62.100 0.043 0.000 1.146 210 T CB -0.298 68.595 68.868 0.041 0.000 0.865 210 T HN 0.786 nan 8.240 nan 0.000 0.435 211 E N 1.351 121.571 120.200 0.034 0.000 2.285 211 E HA -0.069 4.281 4.350 -0.000 0.000 0.194 211 E C 2.158 178.775 176.600 0.029 0.000 0.997 211 E CA 0.505 56.924 56.400 0.033 0.000 0.845 211 E CB -0.210 29.510 29.700 0.032 0.000 0.782 211 E HN 0.402 nan 8.360 nan 0.000 0.491 212 R N 1.200 121.717 120.500 0.028 0.000 2.062 212 R HA -0.034 4.306 4.340 -0.000 0.000 0.229 212 R C 2.380 178.696 176.300 0.026 0.000 1.128 212 R CA 1.467 57.582 56.100 0.025 0.000 0.960 212 R CB -0.060 30.254 30.300 0.023 0.000 0.855 212 R HN 0.049 nan 8.270 nan 0.000 0.432 213 S N 0.417 116.136 115.700 0.031 0.000 2.387 213 S HA -0.160 4.310 4.470 -0.000 0.000 0.230 213 S C 1.822 176.439 174.600 0.028 0.000 1.035 213 S CA 1.335 59.555 58.200 0.032 0.000 1.014 213 S CB -0.203 63.023 63.200 0.043 0.000 0.836 213 S HN 0.377 nan 8.310 nan 0.000 0.466 214 R N 0.543 121.061 120.500 0.029 0.000 2.073 214 R HA 0.104 4.444 4.340 -0.000 0.000 0.229 214 R C 2.616 178.930 176.300 0.024 0.000 1.120 214 R CA 0.921 57.037 56.100 0.027 0.000 0.967 214 R CB -0.187 30.132 30.300 0.031 0.000 0.862 214 R HN 0.283 nan 8.270 nan 0.000 0.436 215 R N 0.720 121.234 120.500 0.023 0.000 2.117 215 R HA -0.165 4.175 4.340 -0.000 0.000 0.243 215 R C 2.055 178.365 176.300 0.018 0.000 1.143 215 R CA 1.671 57.783 56.100 0.020 0.000 0.968 215 R CB -0.118 30.194 30.300 0.019 0.000 0.863 215 R HN 0.352 nan 8.270 nan 0.000 0.444 216 E N 0.156 120.366 120.200 0.018 0.000 2.107 216 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 216 E C 1.567 178.175 176.600 0.014 0.000 0.982 216 E CA 0.779 57.188 56.400 0.015 0.000 0.809 216 E CB 0.120 29.829 29.700 0.015 0.000 0.756 216 E HN 0.311 nan 8.360 nan 0.000 0.459 217 L N -0.442 120.790 121.223 0.015 0.000 2.592 217 L HA 0.184 4.524 4.340 -0.000 0.000 0.227 217 L C 1.282 178.160 176.870 0.014 0.000 1.127 217 L CA 0.253 55.101 54.840 0.013 0.000 0.884 217 L CB 0.197 42.262 42.059 0.011 0.000 1.065 217 L HN 0.280 nan 8.230 nan 0.000 0.457 218 G N 1.091 109.900 108.800 0.016 0.000 2.155 218 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.257 218 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.257 218 G C 0.287 175.198 174.900 0.018 0.000 0.983 218 G CA -0.002 45.108 45.100 0.017 0.000 0.676 218 G HN 0.316 nan 8.290 nan 0.000 0.528 219 I N 2.036 122.617 120.570 0.019 0.000 2.588 219 I HA 0.259 4.429 4.170 -0.000 0.000 0.283 219 I C -1.471 174.662 176.117 0.027 0.000 1.119 219 I CA -1.978 59.334 61.300 0.020 0.000 1.419 219 I CB 0.683 38.694 38.000 0.019 0.000 1.394 219 I HN -0.104 nan 8.210 nan 0.000 0.562 220 P HA 0.032 nan 4.420 nan 0.000 0.268 220 P C 0.703 178.033 177.300 0.051 0.000 1.205 220 P CA -0.167 62.958 63.100 0.042 0.000 0.771 220 P CB 0.585 32.313 31.700 0.047 0.000 0.858 221 L N 1.219 122.482 121.223 0.067 0.000 2.141 221 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 221 L C 1.389 178.326 176.870 0.112 0.000 1.094 221 L CA 1.479 56.364 54.840 0.075 0.000 0.763 221 L CB -0.660 41.440 42.059 0.069 0.000 0.908 221 L HN 0.599 nan 8.230 nan 0.000 0.437 222 H N 0.151 119.232 119.070 0.018 0.000 2.556 222 H HA 0.260 4.816 4.556 -0.000 0.000 0.240 222 H C -0.993 174.349 175.328 0.023 0.000 1.543 222 H CA 0.145 56.204 56.048 0.018 0.000 1.287 222 H CB 0.556 30.328 29.762 0.016 0.000 1.529 222 H HN -0.005 nan 8.280 nan 0.000 0.553 223 T N 3.178 117.637 114.554 -0.158 0.000 2.830 223 T HA 0.190 4.540 4.350 -0.000 0.000 0.322 223 T C -1.323 173.315 174.700 -0.103 0.000 1.501 223 T CA -0.952 61.047 62.100 -0.169 0.000 1.036 223 T CB 1.266 70.100 68.868 -0.057 0.000 1.379 223 T HN 0.356 nan 8.240 nan 0.000 0.493 224 K N 2.228 122.575 120.400 -0.089 0.000 2.174 224 K HA 0.647 4.967 4.320 -0.000 0.000 0.275 224 K C -0.701 175.888 176.600 -0.018 0.000 1.015 224 K CA -0.523 55.733 56.287 -0.050 0.000 0.933 224 K CB 1.620 34.086 32.500 -0.056 0.000 1.025 224 K HN 0.408 nan 8.250 nan 0.000 0.463 225 V N 2.603 122.514 119.914 -0.004 0.000 2.588 225 V HA 0.309 4.429 4.120 -0.000 0.000 0.304 225 V C -0.336 175.769 176.094 0.018 0.000 1.042 225 V CA -1.012 61.295 62.300 0.010 0.000 0.877 225 V CB 2.087 33.919 31.823 0.015 0.000 0.996 225 V HN 0.428 nan 8.190 nan 0.000 0.425 226 V N 3.265 123.193 119.914 0.022 0.000 2.581 226 V HA 0.908 5.028 4.120 -0.000 0.000 0.303 226 V C 0.240 176.357 176.094 0.038 0.000 1.041 226 V CA -0.476 61.846 62.300 0.036 0.000 0.907 226 V CB 1.801 33.649 31.823 0.042 0.000 0.994 226 V HN 1.024 nan 8.190 nan 0.000 0.442 227 A N 3.914 126.769 122.820 0.057 0.000 2.371 227 A HA 0.839 5.159 4.320 -0.000 0.000 0.311 227 A C -1.304 176.336 177.584 0.095 0.000 1.068 227 A CA -0.449 51.624 52.037 0.059 0.000 0.744 227 A CB 1.231 20.264 19.000 0.055 0.000 1.239 227 A HN 0.814 nan 8.150 nan 0.000 0.435 228 F N 3.041 122.952 119.950 -0.065 0.000 2.436 228 F HA 0.667 5.194 4.527 -0.000 0.000 0.340 228 F C -0.901 174.859 175.800 -0.068 0.000 1.113 228 F CA -0.499 57.459 58.000 -0.070 0.000 1.022 228 F CB 1.627 40.549 39.000 -0.130 0.000 1.128 228 F HN 0.350 nan 8.300 nan 0.000 0.466 229 V N 5.845 125.471 119.914 -0.479 0.000 2.531 229 V HA 0.929 5.049 4.120 -0.000 0.000 0.301 229 V C 0.044 175.870 176.094 -0.445 0.000 1.034 229 V CA 0.027 62.159 62.300 -0.280 0.000 0.865 229 V CB 0.787 32.510 31.823 -0.167 0.000 0.995 229 V HN 1.231 nan 8.190 nan 0.000 0.424 230 G N 4.427 113.171 108.800 -0.094 0.000 2.346 230 G HA2 0.035 3.995 3.960 -0.000 0.000 0.294 230 G HA3 0.035 3.995 3.960 -0.000 0.000 0.294 230 G C -0.918 174.086 174.900 0.173 0.000 1.294 230 G CA -1.213 43.874 45.100 -0.021 0.000 0.962 230 G HN 0.632 nan 8.290 nan 0.000 0.508 231 R N -0.367 120.195 120.500 0.102 0.000 2.583 231 R HA 0.137 4.477 4.340 -0.000 0.000 0.274 231 R C 0.568 176.911 176.300 0.071 0.000 0.998 231 R CA 0.165 56.310 56.100 0.074 0.000 1.081 231 R CB 0.184 30.503 30.300 0.031 0.000 0.940 231 R HN 0.367 nan 8.270 nan 0.000 0.413 232 L N 3.492 124.718 121.223 0.006 0.000 2.955 232 L HA 0.106 4.446 4.340 -0.000 0.000 0.238 232 L C 0.191 177.013 176.870 -0.080 0.000 1.359 232 L CA -0.096 54.677 54.840 -0.112 0.000 1.214 232 L CB -0.350 41.698 42.059 -0.017 0.000 1.600 232 L HN 0.459 nan 8.230 nan 0.000 0.442 233 Q N 0.346 119.998 119.800 -0.246 0.000 2.230 233 Q HA 0.275 4.615 4.340 -0.000 0.000 0.248 233 Q C -1.553 174.197 176.000 -0.417 0.000 0.915 233 Q CA -1.645 53.929 55.803 -0.382 0.000 0.900 233 Q CB 1.577 29.814 28.738 -0.834 0.000 1.229 233 Q HN -0.097 nan 8.270 nan 0.000 0.439 234 P HA -0.133 nan 4.420 nan 0.000 0.218 234 P C 0.356 177.598 177.300 -0.096 0.000 1.149 234 P CA 1.086 64.138 63.100 -0.080 0.000 0.817 234 P CB -0.058 31.620 31.700 -0.038 0.000 0.785 235 F N -1.263 118.707 119.950 0.034 0.000 2.641 235 F HA 0.076 4.603 4.527 -0.000 0.000 0.298 235 F C 1.450 177.438 175.800 0.313 0.000 1.146 235 F CA 0.660 58.726 58.000 0.109 0.000 1.464 235 F CB -0.925 38.119 39.000 0.073 0.000 1.101 235 F HN -0.243 nan 8.300 nan 0.000 0.585 236 K N 0.957 121.330 120.400 -0.044 0.000 2.379 236 K HA 0.201 4.520 4.320 -0.000 0.000 0.194 236 K C 1.578 178.335 176.600 0.262 0.000 1.031 236 K CA 0.739 57.111 56.287 0.142 0.000 1.037 236 K CB -0.095 32.423 32.500 0.030 0.000 0.824 236 K HN 0.508 nan 8.250 nan 0.000 0.516 237 G N 2.378 111.317 108.800 0.231 0.000 2.143 237 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.248 237 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.248 237 G C -1.133 173.709 174.900 -0.098 0.000 0.991 237 G CA 0.342 45.548 45.100 0.178 0.000 0.689 237 G HN 0.223 nan 8.290 nan 0.000 0.522 238 P HA -0.186 nan 4.420 nan 0.000 0.218 238 P C 2.070 179.102 177.300 -0.446 0.000 1.149 238 P CA 1.698 64.299 63.100 -0.831 0.000 0.817 238 P CB -0.062 30.734 31.700 -1.506 0.000 0.785 239 Q N 0.351 120.012 119.800 -0.232 0.000 2.181 239 Q HA -0.090 4.250 4.340 -0.000 0.000 0.205 239 Q C 1.930 177.916 176.000 -0.022 0.000 0.980 239 Q CA 1.614 57.430 55.803 0.022 0.000 0.862 239 Q CB -1.839 27.010 28.738 0.184 0.000 0.905 239 Q HN 0.136 nan 8.270 nan 0.000 0.429 240 V N 1.373 121.237 119.914 -0.084 0.000 2.358 240 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 240 V C 2.454 178.403 176.094 -0.242 0.000 1.047 240 V CA 1.496 63.685 62.300 -0.185 0.000 1.035 240 V CB -0.805 30.784 31.823 -0.391 0.000 0.658 240 V HN 0.238 nan 8.190 nan 0.000 0.452 241 L N 0.126 121.195 121.223 -0.256 0.000 2.017 241 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 241 L C 2.177 179.010 176.870 -0.061 0.000 1.073 241 L CA 1.864 56.611 54.840 -0.155 0.000 0.745 241 L CB -0.557 41.432 42.059 -0.116 0.000 0.894 241 L HN 0.206 nan 8.230 nan 0.000 0.432 242 I N -0.610 119.923 120.570 -0.061 0.000 2.226 242 I HA -0.320 3.850 4.170 -0.000 0.000 0.245 242 I C 2.426 178.575 176.117 0.053 0.000 1.100 242 I CA 1.387 62.696 61.300 0.014 0.000 1.374 242 I CB -0.320 37.712 38.000 0.054 0.000 1.057 242 I HN 0.218 nan 8.210 nan 0.000 0.413 243 K N 0.610 121.034 120.400 0.041 0.000 2.057 243 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 243 K C 2.246 178.891 176.600 0.074 0.000 1.049 243 K CA 1.445 57.771 56.287 0.065 0.000 0.931 243 K CB -0.244 32.295 32.500 0.064 0.000 0.714 243 K HN 0.325 nan 8.250 nan 0.000 0.440 244 A N 0.724 123.579 122.820 0.058 0.000 1.898 244 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 244 A C 2.317 179.939 177.584 0.064 0.000 1.181 244 A CA 1.272 53.361 52.037 0.086 0.000 0.620 244 A CB -0.649 18.429 19.000 0.130 0.000 0.819 244 A HN 0.065 nan 8.150 nan 0.000 0.442 245 V N 0.048 120.001 119.914 0.066 0.000 2.332 245 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 245 V C 3.071 179.270 176.094 0.174 0.000 1.055 245 V CA 2.085 64.434 62.300 0.082 0.000 1.038 245 V CB -1.255 30.646 31.823 0.131 0.000 0.651 245 V HN 0.627 nan 8.190 nan 0.000 0.450 246 A N -0.105 122.825 122.820 0.183 0.000 1.883 246 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 246 A C 2.462 180.144 177.584 0.162 0.000 1.186 246 A CA 2.255 54.415 52.037 0.206 0.000 0.624 246 A CB -0.908 18.174 19.000 0.137 0.000 0.822 246 A HN 0.602 nan 8.150 nan 0.000 0.444 247 A N -0.167 122.715 122.820 0.103 0.000 1.892 247 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 247 A C 2.183 179.782 177.584 0.027 0.000 1.188 247 A CA 1.716 53.797 52.037 0.073 0.000 0.631 247 A CB -0.753 18.288 19.000 0.069 0.000 0.822 247 A HN 0.499 nan 8.150 nan 0.000 0.447 248 L N -2.190 119.004 121.223 -0.048 0.000 2.079 248 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 248 L C 2.347 179.094 176.870 -0.205 0.000 1.081 248 L CA 1.359 56.087 54.840 -0.186 0.000 0.752 248 L CB -0.481 41.367 42.059 -0.352 0.000 0.896 248 L HN 0.438 nan 8.230 nan 0.000 0.433 249 F N -0.450 119.511 119.950 0.017 0.000 2.661 249 F HA -0.119 4.408 4.527 -0.000 0.000 0.298 249 F C 2.107 177.918 175.800 0.018 0.000 1.137 249 F CA 0.334 58.343 58.000 0.015 0.000 1.454 249 F CB -0.101 38.907 39.000 0.014 0.000 1.103 249 F HN 0.120 nan 8.300 nan 0.000 0.577 250 D N 0.194 120.690 120.400 0.160 0.000 2.137 250 D HA -0.069 4.571 4.640 -0.000 0.000 0.202 250 D C 2.223 178.567 176.300 0.073 0.000 0.970 250 D CA 0.886 54.950 54.000 0.106 0.000 0.837 250 D CB -0.218 40.633 40.800 0.086 0.000 0.981 250 D HN 0.283 nan 8.370 nan 0.000 0.475 251 R N 0.129 120.654 120.500 0.043 0.000 2.081 251 R HA -0.058 4.282 4.340 -0.000 0.000 0.235 251 R C 0.267 176.579 176.300 0.020 0.000 1.131 251 R CA 0.956 57.067 56.100 0.019 0.000 0.960 251 R CB 0.070 30.361 30.300 -0.015 0.000 0.856 251 R HN 0.020 nan 8.270 nan 0.000 0.436 252 D N -1.222 119.191 120.400 0.021 0.000 2.323 252 D HA 0.170 4.810 4.640 -0.000 0.000 0.242 252 D C -2.298 174.076 176.300 0.122 0.000 1.347 252 D CA -2.250 51.773 54.000 0.038 0.000 0.988 252 D CB 1.714 42.508 40.800 -0.009 0.000 1.314 252 D HN -0.228 nan 8.370 nan 0.000 0.564 253 P HA 0.067 nan 4.420 nan 0.000 0.233 253 P C -0.242 177.217 177.300 0.265 0.000 1.167 253 P CA 0.671 63.915 63.100 0.240 0.000 0.770 253 P CB 0.225 31.999 31.700 0.123 0.000 0.837 254 D N -1.988 118.528 120.400 0.192 0.000 2.772 254 D HA 0.078 4.718 4.640 -0.000 0.000 0.272 254 D C 0.319 176.720 176.300 0.168 0.000 1.314 254 D CA -0.636 53.470 54.000 0.177 0.000 0.835 254 D CB -0.526 40.331 40.800 0.096 0.000 1.080 254 D HN -0.065 nan 8.370 nan 0.000 0.482 255 R N 1.334 121.940 120.500 0.178 0.000 2.638 255 R HA -0.047 4.293 4.340 -0.000 0.000 0.268 255 R C 0.007 176.381 176.300 0.123 0.000 1.006 255 R CA 0.013 56.142 56.100 0.048 0.000 1.088 255 R CB 0.292 30.472 30.300 -0.200 0.000 0.950 255 R HN 0.202 nan 8.270 nan 0.000 0.419 256 N N 5.975 124.695 118.700 0.033 0.000 2.868 256 N HA 0.109 4.849 4.740 -0.000 0.000 0.252 256 N C -1.290 174.224 175.510 0.007 0.000 1.130 256 N CA -0.152 52.912 53.050 0.023 0.000 1.026 256 N CB 0.325 38.779 38.487 -0.055 0.000 1.335 256 N HN 0.401 nan 8.380 nan 0.000 0.516 257 L N 2.648 123.932 121.223 0.101 0.000 2.455 257 L HA 0.550 4.890 4.340 -0.000 0.000 0.264 257 L C -1.089 175.884 176.870 0.171 0.000 0.968 257 L CA -0.697 54.198 54.840 0.091 0.000 0.827 257 L CB 2.152 44.218 42.059 0.011 0.000 1.317 257 L HN 0.419 nan 8.230 nan 0.000 0.407 258 R N 2.792 123.346 120.500 0.089 0.000 2.795 258 R HA 0.743 5.083 4.340 -0.000 0.000 0.275 258 R C -1.559 174.768 176.300 0.045 0.000 0.981 258 R CA -0.823 55.323 56.100 0.077 0.000 0.917 258 R CB 2.847 33.172 30.300 0.041 0.000 1.202 258 R HN 0.314 nan 8.270 nan 0.000 0.469 259 V N 3.792 123.720 119.914 0.022 0.000 2.540 259 V HA 0.510 4.630 4.120 -0.000 0.000 0.302 259 V C -0.025 176.024 176.094 -0.076 0.000 1.035 259 V CA -0.814 61.474 62.300 -0.020 0.000 0.873 259 V CB 1.779 33.584 31.823 -0.030 0.000 0.992 259 V HN 0.637 nan 8.190 nan 0.000 0.428 260 I N 2.753 123.282 120.570 -0.068 0.000 2.406 260 I HA 0.690 4.860 4.170 -0.000 0.000 0.290 260 I C -1.009 175.044 176.117 -0.107 0.000 0.999 260 I CA -0.545 60.695 61.300 -0.101 0.000 1.124 260 I CB 1.743 39.714 38.000 -0.049 0.000 1.289 260 I HN 0.428 nan 8.210 nan 0.000 0.441 261 I N 6.434 126.874 120.570 -0.218 0.000 2.378 261 I HA 0.424 4.594 4.170 -0.000 0.000 0.291 261 I C -0.771 175.336 176.117 -0.018 0.000 0.992 261 I CA -0.577 60.632 61.300 -0.151 0.000 1.154 261 I CB 1.870 39.571 38.000 -0.498 0.000 1.315 261 I HN 0.723 nan 8.210 nan 0.000 0.448 262 C N 5.222 124.588 119.300 0.109 0.000 2.679 262 C HA 0.785 5.245 4.460 -0.000 0.000 0.354 262 C C 0.576 175.633 174.990 0.113 0.000 1.067 262 C CA 0.041 59.105 59.018 0.078 0.000 1.317 262 C CB -0.035 27.703 27.740 -0.003 0.000 1.843 262 C HN 1.047 nan 8.230 nan 0.000 0.459 263 G N 3.676 112.551 108.800 0.124 0.000 2.892 263 G HA2 0.535 4.495 3.960 -0.000 0.000 0.184 263 G HA3 0.535 4.495 3.960 -0.000 0.000 0.184 263 G C 0.445 175.412 174.900 0.112 0.000 1.238 263 G CA 0.629 45.792 45.100 0.106 0.000 0.722 263 G HN 1.151 nan 8.290 nan 0.000 0.777 264 G N 1.244 110.095 108.800 0.084 0.000 2.441 264 G HA2 0.670 4.630 3.960 -0.000 0.000 0.334 264 G HA3 0.670 4.630 3.960 -0.000 0.000 0.334 264 G C -2.502 172.433 174.900 0.059 0.000 1.161 264 G CA -1.167 43.972 45.100 0.065 0.000 0.935 264 G HN 0.233 nan 8.290 nan 0.000 0.488 275 Y N 1.753 121.960 120.300 -0.155 0.000 2.314 275 Y HA 0.451 5.001 4.550 -0.000 0.000 0.294 275 Y C 2.775 178.638 175.900 -0.062 0.000 1.119 275 Y CA 1.223 59.289 58.100 -0.058 0.000 1.179 275 Y CB -0.210 38.292 38.460 0.069 0.000 1.025 275 Y HN 0.216 nan 8.280 nan 0.000 0.541 276 R N -0.437 119.846 120.500 -0.363 0.000 2.117 276 R HA -0.258 4.082 4.340 -0.000 0.000 0.243 276 R C 2.229 178.501 176.300 -0.048 0.000 1.143 276 R CA 1.791 57.727 56.100 -0.274 0.000 0.968 276 R CB -0.496 29.518 30.300 -0.475 0.000 0.863 276 R HN 0.418 nan 8.270 nan 0.000 0.444 277 H N 0.423 119.412 119.070 -0.135 0.000 2.321 277 H HA -0.167 4.389 4.556 -0.000 0.000 0.300 277 H C 2.010 177.311 175.328 -0.046 0.000 1.087 277 H CA 2.098 58.089 56.048 -0.093 0.000 1.319 277 H CB -0.227 29.458 29.762 -0.127 0.000 1.379 277 H HN 0.268 nan 8.280 nan 0.000 0.501 278 M N 0.035 119.721 119.600 0.143 0.000 2.149 278 M HA -0.148 4.332 4.480 -0.000 0.000 0.261 278 M C 2.377 178.742 176.300 0.109 0.000 1.064 278 M CA 1.736 57.108 55.300 0.120 0.000 1.102 278 M CB -0.161 32.504 32.600 0.108 0.000 1.369 278 M HN 0.290 nan 8.290 nan 0.000 0.408 279 A N 0.941 123.840 122.820 0.131 0.000 1.969 279 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 279 A C 1.870 179.484 177.584 0.049 0.000 1.169 279 A CA 1.651 53.761 52.037 0.121 0.000 0.635 279 A CB -0.730 18.397 19.000 0.211 0.000 0.810 279 A HN 0.790 nan 8.150 nan 0.000 0.445 280 E N -0.111 120.086 120.200 -0.005 0.000 2.072 280 E HA -0.201 4.149 4.350 -0.000 0.000 0.190 280 E C 1.704 178.276 176.600 -0.047 0.000 0.982 280 E CA 1.119 57.484 56.400 -0.058 0.000 0.803 280 E CB -0.529 29.090 29.700 -0.134 0.000 0.755 280 E HN 0.703 nan 8.360 nan 0.000 0.453 281 E N 0.574 120.755 120.200 -0.033 0.000 2.219 281 E HA -0.128 4.222 4.350 -0.000 0.000 0.198 281 E C 1.775 178.388 176.600 0.021 0.000 0.998 281 E CA 0.847 57.252 56.400 0.007 0.000 0.818 281 E CB 0.035 29.773 29.700 0.062 0.000 0.741 281 E HN 0.287 nan 8.360 nan 0.000 0.477 282 L N -1.321 119.920 121.223 0.031 0.000 2.640 282 L HA 0.227 4.567 4.340 -0.000 0.000 0.230 282 L C 1.109 177.996 176.870 0.028 0.000 1.123 282 L CA 0.237 55.102 54.840 0.042 0.000 0.900 282 L CB 0.758 42.857 42.059 0.066 0.000 1.146 282 L HN 0.241 nan 8.230 nan 0.000 0.484 283 G N 0.863 109.664 108.800 0.003 0.000 2.147 283 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.244 283 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.244 283 G C 0.541 175.406 174.900 -0.058 0.000 1.005 283 G CA 0.406 45.491 45.100 -0.025 0.000 0.713 283 G HN 0.347 nan 8.290 nan 0.000 0.515 284 V N -3.189 116.704 119.914 -0.036 0.000 3.166 284 V HA 0.469 4.589 4.120 -0.000 0.000 0.332 284 V C 1.590 177.661 176.094 -0.039 0.000 1.434 284 V CA 0.935 63.190 62.300 -0.075 0.000 1.121 284 V CB 0.304 32.130 31.823 0.004 0.000 1.062 284 V HN 0.274 nan 8.190 nan 0.000 0.489 285 E N 1.511 121.704 120.200 -0.012 0.000 2.118 285 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 285 E C 1.731 178.336 176.600 0.009 0.000 0.992 285 E CA 1.521 57.940 56.400 0.033 0.000 0.804 285 E CB -0.419 29.292 29.700 0.019 0.000 0.741 285 E HN 0.522 nan 8.360 nan 0.000 0.458 286 K N 0.306 120.679 120.400 -0.044 0.000 2.211 286 K HA 0.029 4.349 4.320 -0.000 0.000 0.203 286 K C 1.514 178.078 176.600 -0.059 0.000 1.050 286 K CA 0.888 57.144 56.287 -0.052 0.000 0.945 286 K CB 0.231 32.684 32.500 -0.079 0.000 0.732 286 K HN 0.062 nan 8.250 nan 0.000 0.451 287 R N -0.209 120.236 120.500 -0.091 0.000 2.362 287 R HA 0.273 4.613 4.340 -0.000 0.000 0.227 287 R C 0.124 176.420 176.300 -0.007 0.000 0.905 287 R CA 0.111 56.176 56.100 -0.058 0.000 1.067 287 R CB 0.422 30.648 30.300 -0.123 0.000 1.078 287 R HN 0.137 nan 8.270 nan 0.000 0.516 288 I N 0.884 121.444 120.570 -0.017 0.000 2.648 288 I HA 0.404 4.574 4.170 -0.000 0.000 0.304 288 I C -0.252 175.820 176.117 -0.075 0.000 1.009 288 I CA -1.147 60.110 61.300 -0.073 0.000 1.114 288 I CB 1.979 39.920 38.000 -0.098 0.000 1.293 288 I HN -0.175 nan 8.210 nan 0.000 0.449 289 R N 3.902 124.278 120.500 -0.207 0.000 2.522 289 R HA 0.468 4.808 4.340 -0.000 0.000 0.283 289 R C -2.032 174.136 176.300 -0.219 0.000 1.074 289 R CA -0.459 55.593 56.100 -0.081 0.000 0.925 289 R CB 1.346 31.626 30.300 -0.033 0.000 1.205 289 R HN 0.387 nan 8.270 nan 0.000 0.436 290 F N 5.336 125.290 119.950 0.008 0.000 2.361 290 F HA 0.390 4.917 4.527 -0.000 0.000 0.364 290 F C -0.048 175.757 175.800 0.009 0.000 1.120 290 F CA -0.585 57.420 58.000 0.007 0.000 1.102 290 F CB 1.090 40.095 39.000 0.009 0.000 1.183 290 F HN 0.143 nan 8.300 nan 0.000 0.476 291 L N 3.422 124.709 121.223 0.107 0.000 2.312 291 L HA 0.326 4.666 4.340 -0.000 0.000 0.281 291 L C -0.036 176.885 176.870 0.085 0.000 1.070 291 L CA -0.952 53.933 54.840 0.076 0.000 0.805 291 L CB 0.741 42.815 42.059 0.026 0.000 1.174 291 L HN 0.435 nan 8.230 nan 0.000 0.434 292 D N 3.864 124.303 120.400 0.066 0.000 2.449 292 D HA 0.087 4.727 4.640 -0.000 0.000 0.236 292 D C -2.075 174.247 176.300 0.037 0.000 1.149 292 D CA -0.729 53.302 54.000 0.052 0.000 0.878 292 D CB 0.516 41.338 40.800 0.036 0.000 1.198 292 D HN 0.238 nan 8.370 nan 0.000 0.446 293 P HA 0.084 nan 4.420 nan 0.000 0.269 293 P C -0.278 177.030 177.300 0.013 0.000 1.209 293 P CA -0.003 63.111 63.100 0.024 0.000 0.776 293 P CB 0.666 32.382 31.700 0.026 0.000 0.876 294 R N 1.779 122.283 120.500 0.007 0.000 2.799 294 R HA 0.677 5.017 4.340 -0.000 0.000 0.270 294 R C -2.998 173.309 176.300 0.013 0.000 1.010 294 R CA -2.382 53.722 56.100 0.006 0.000 0.916 294 R CB 0.731 31.031 30.300 -0.000 0.000 1.228 294 R HN 0.175 nan 8.270 nan 0.000 0.469 295 P HA 0.228 nan 4.420 nan 0.000 0.274 295 P C -2.196 175.128 177.300 0.040 0.000 1.237 295 P CA -1.565 61.548 63.100 0.021 0.000 0.793 295 P CB 0.550 32.254 31.700 0.006 0.000 0.977 296 P HA -0.219 nan 4.420 nan 0.000 0.216 296 P C 1.858 179.153 177.300 -0.009 0.000 1.154 296 P CA 2.215 65.376 63.100 0.103 0.000 0.865 296 P CB -0.398 31.352 31.700 0.084 0.000 0.789 297 S N -0.779 114.898 115.700 -0.038 0.000 2.440 297 S HA -0.226 4.244 4.470 -0.000 0.000 0.240 297 S C 1.671 176.259 174.600 -0.019 0.000 1.014 297 S CA 1.541 59.711 58.200 -0.050 0.000 0.980 297 S CB -0.901 62.277 63.200 -0.036 0.000 0.775 297 S HN 0.269 nan 8.310 nan 0.000 0.499 298 E N -0.330 119.871 120.200 0.001 0.000 2.413 298 E HA 0.296 4.646 4.350 -0.000 0.000 0.203 298 E C 1.822 178.425 176.600 0.005 0.000 0.957 298 E CA -0.072 56.331 56.400 0.005 0.000 0.950 298 E CB -0.036 29.665 29.700 0.001 0.000 0.957 298 E HN 0.386 nan 8.360 nan 0.000 0.497 299 L N 1.234 122.471 121.223 0.024 0.000 2.141 299 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 299 L C 2.176 179.038 176.870 -0.013 0.000 1.094 299 L CA 0.848 55.664 54.840 -0.040 0.000 0.763 299 L CB -0.164 41.893 42.059 -0.003 0.000 0.908 299 L HN 0.071 nan 8.230 nan 0.000 0.437 300 V N 0.449 120.470 119.914 0.179 0.000 2.277 300 V HA -0.414 3.706 4.120 -0.000 0.000 0.255 300 V C 2.800 178.990 176.094 0.161 0.000 1.074 300 V CA 2.104 64.566 62.300 0.270 0.000 1.058 300 V CB -1.449 30.452 31.823 0.131 0.000 0.656 300 V HN 0.590 nan 8.190 nan 0.000 0.449 301 A N -0.423 122.438 122.820 0.068 0.000 1.933 301 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 301 A C 2.395 179.999 177.584 0.033 0.000 1.175 301 A CA 2.068 54.136 52.037 0.050 0.000 0.628 301 A CB -0.692 18.324 19.000 0.027 0.000 0.814 301 A HN 0.367 nan 8.150 nan 0.000 0.444 302 V N -1.107 118.786 119.914 -0.035 0.000 2.255 302 V HA -0.307 3.813 4.120 -0.000 0.000 0.247 302 V C 2.402 178.504 176.094 0.013 0.000 1.051 302 V CA 2.144 64.401 62.300 -0.071 0.000 1.018 302 V CB -1.141 30.569 31.823 -0.188 0.000 0.641 302 V HN 0.624 nan 8.190 nan 0.000 0.445 303 Y N 0.767 121.098 120.300 0.052 0.000 2.081 303 Y HA -0.226 4.324 4.550 -0.000 0.000 0.280 303 Y C 2.720 178.647 175.900 0.046 0.000 1.163 303 Y CA 1.537 59.662 58.100 0.041 0.000 1.135 303 Y CB -0.926 37.574 38.460 0.068 0.000 0.970 303 Y HN 0.151 nan 8.280 nan 0.000 0.498 304 R N -0.417 120.224 120.500 0.235 0.000 2.091 304 R HA -0.178 4.162 4.340 -0.000 0.000 0.238 304 R C 2.442 178.802 176.300 0.099 0.000 1.136 304 R CA 1.384 57.570 56.100 0.143 0.000 0.959 304 R CB -0.675 29.696 30.300 0.117 0.000 0.856 304 R HN 0.333 nan 8.270 nan 0.000 0.437 305 A N 1.133 124.002 122.820 0.083 0.000 2.015 305 A HA 0.107 4.427 4.320 -0.000 0.000 0.219 305 A C 1.119 178.734 177.584 0.053 0.000 1.163 305 A CA 0.881 52.951 52.037 0.056 0.000 0.646 305 A CB -0.202 18.821 19.000 0.039 0.000 0.806 305 A HN 0.361 nan 8.150 nan 0.000 0.448 306 A N 0.299 123.162 122.820 0.071 0.000 2.440 306 A HA 0.358 4.678 4.320 -0.000 0.000 0.251 306 A C 0.547 178.162 177.584 0.051 0.000 1.089 306 A CA -0.032 52.043 52.037 0.063 0.000 0.779 306 A CB 0.222 19.275 19.000 0.089 0.000 1.022 306 A HN 0.375 nan 8.150 nan 0.000 0.492 307 D N 1.085 121.505 120.400 0.032 0.000 2.194 307 D HA 0.070 4.710 4.640 -0.000 0.000 0.204 307 D C 0.282 176.593 176.300 0.019 0.000 0.964 307 D CA 1.526 55.538 54.000 0.020 0.000 0.846 307 D CB 0.164 40.967 40.800 0.005 0.000 0.962 307 D HN 0.567 nan 8.370 nan 0.000 0.490 308 I N 0.356 120.942 120.570 0.027 0.000 2.722 308 I HA 0.185 4.355 4.170 -0.000 0.000 0.295 308 I C -1.009 175.137 176.117 0.048 0.000 1.161 308 I CA -0.841 60.475 61.300 0.027 0.000 1.032 308 I CB 3.366 41.380 38.000 0.022 0.000 1.244 308 I HN -0.408 nan 8.210 nan 0.000 0.421 309 V N 4.159 124.101 119.914 0.047 0.000 2.409 309 V HA 0.643 4.763 4.120 -0.000 0.000 0.291 309 V C 0.134 176.270 176.094 0.070 0.000 1.020 309 V CA -0.535 61.800 62.300 0.058 0.000 0.848 309 V CB 1.636 33.489 31.823 0.050 0.000 0.990 309 V HN 0.809 nan 8.190 nan 0.000 0.430 310 A N 4.316 127.197 122.820 0.101 0.000 2.274 310 A HA 0.697 5.017 4.320 -0.000 0.000 0.309 310 A C -0.228 177.412 177.584 0.094 0.000 1.226 310 A CA -0.396 51.758 52.037 0.195 0.000 0.853 310 A CB 1.302 20.444 19.000 0.237 0.000 1.146 310 A HN 1.409 nan 8.150 nan 0.000 0.518 311 V N 3.462 123.467 119.914 0.152 0.000 2.313 311 V HA 0.474 4.594 4.120 -0.000 0.000 0.262 311 V C -2.620 173.553 176.094 0.131 0.000 1.011 311 V CA -1.796 60.523 62.300 0.032 0.000 0.858 311 V CB 1.337 33.122 31.823 -0.063 0.000 1.104 311 V HN 0.600 nan 8.190 nan 0.000 0.456 312 P HA 0.221 nan 4.420 nan 0.000 0.254 312 P C 0.413 177.702 177.300 -0.018 0.000 1.631 312 P CA 0.224 63.171 63.100 -0.255 0.000 0.861 312 P CB -0.351 30.838 31.700 -0.851 0.000 1.663 313 S N -0.236 115.530 115.700 0.110 0.000 2.563 313 S HA 0.098 4.568 4.470 -0.000 0.000 0.284 313 S C 0.746 175.487 174.600 0.235 0.000 1.331 313 S CA 0.077 58.401 58.200 0.206 0.000 1.047 313 S CB 0.128 63.443 63.200 0.193 0.000 0.859 313 S HN 0.146 nan 8.310 nan 0.000 0.514 314 F N 1.206 121.307 119.950 0.251 0.000 2.374 314 F HA 0.205 4.732 4.527 -0.000 0.000 0.291 314 F C 1.138 177.031 175.800 0.153 0.000 1.084 314 F CA 0.188 58.263 58.000 0.124 0.000 1.413 314 F CB 0.178 39.153 39.000 -0.041 0.000 1.099 314 F HN 0.451 nan 8.300 nan 0.000 0.534 315 N N -1.029 117.887 118.700 0.359 0.000 2.453 315 N HA 0.548 5.288 4.740 -0.000 0.000 0.290 315 N C -1.350 174.256 175.510 0.161 0.000 1.250 315 N CA -0.508 52.653 53.050 0.185 0.000 0.815 315 N CB 1.773 40.284 38.487 0.040 0.000 1.381 315 N HN -0.189 nan 8.380 nan 0.000 0.510 316 E N -0.477 119.779 120.200 0.093 0.000 2.367 316 E HA 0.352 4.702 4.350 -0.000 0.000 0.280 316 E C -1.781 174.867 176.600 0.080 0.000 1.228 316 E CA -0.139 56.306 56.400 0.075 0.000 0.990 316 E CB 0.612 30.363 29.700 0.085 0.000 1.208 316 E HN 0.535 nan 8.360 nan 0.000 0.406 317 S N -0.213 115.545 115.700 0.096 0.000 3.377 317 S HA -0.187 4.283 4.470 -0.000 0.000 0.846 317 S C 0.302 174.906 174.600 0.005 0.000 1.142 317 S CA 1.075 59.332 58.200 0.095 0.000 1.051 317 S CB -0.773 62.457 63.200 0.049 0.000 0.704 317 S HN 1.099 nan 8.310 nan 0.000 0.286 318 F N 0.693 120.670 119.950 0.044 0.000 2.746 318 F HA 0.604 5.131 4.527 0.000 0.000 0.313 318 F C 1.488 177.269 175.800 -0.031 0.000 1.095 318 F CA 0.272 58.282 58.000 0.016 0.000 1.224 318 F CB 0.428 39.445 39.000 0.029 0.000 1.060 318 F HN 1.422 nan 8.300 nan 0.000 0.584 319 G N 2.112 110.730 108.800 -0.302 0.000 2.151 319 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.156 319 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.156 319 G C 0.442 175.183 174.900 -0.265 0.000 1.017 319 G CA 0.152 45.127 45.100 -0.210 0.000 0.686 319 G HN 0.357 nan 8.290 nan 0.000 0.503 320 L N 0.544 121.473 121.223 -0.489 0.000 2.021 320 L HA -0.093 4.247 4.340 -0.000 0.000 0.215 320 L C 2.839 179.614 176.870 -0.158 0.000 1.074 320 L CA 2.935 57.643 54.840 -0.220 0.000 0.760 320 L CB -0.842 41.116 42.059 -0.169 0.000 0.889 320 L HN 0.370 nan 8.230 nan 0.000 0.433 321 V N -0.208 119.608 119.914 -0.164 0.000 2.332 321 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 321 V C 2.793 178.772 176.094 -0.191 0.000 1.055 321 V CA 1.663 63.881 62.300 -0.137 0.000 1.038 321 V CB -1.383 30.365 31.823 -0.126 0.000 0.651 321 V HN 0.637 nan 8.190 nan 0.000 0.450 322 A N -0.242 122.487 122.820 -0.152 0.000 1.873 322 A HA -0.311 4.009 4.320 -0.000 0.000 0.218 322 A C 2.245 179.756 177.584 -0.122 0.000 1.193 322 A CA 2.612 54.579 52.037 -0.116 0.000 0.629 322 A CB -0.554 18.409 19.000 -0.062 0.000 0.826 322 A HN 0.519 nan 8.150 nan 0.000 0.447 323 M N -0.878 118.642 119.600 -0.133 0.000 2.082 323 M HA -0.233 4.247 4.480 -0.000 0.000 0.258 323 M C 2.042 178.272 176.300 -0.117 0.000 1.069 323 M CA 2.164 57.415 55.300 -0.081 0.000 1.102 323 M CB -0.677 31.752 32.600 -0.285 0.000 1.336 323 M HN 0.500 nan 8.290 nan 0.000 0.404 324 E N 0.559 120.569 120.200 -0.318 0.000 2.150 324 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 324 E C 2.162 178.229 176.600 -0.889 0.000 0.985 324 E CA 1.061 57.093 56.400 -0.612 0.000 0.814 324 E CB -0.241 28.857 29.700 -1.003 0.000 0.752 324 E HN 0.522 nan 8.360 nan 0.000 0.466 325 A N 1.252 123.517 122.820 -0.926 0.000 1.883 325 A HA -0.320 4.000 4.320 -0.000 0.000 0.217 325 A C 2.165 179.567 177.584 -0.303 0.000 1.186 325 A CA 1.859 53.462 52.037 -0.723 0.000 0.624 325 A CB -0.558 18.216 19.000 -0.375 0.000 0.822 325 A HN 0.132 nan 8.150 nan 0.000 0.444 326 Q N -0.718 118.984 119.800 -0.162 0.000 2.020 326 Q HA -0.058 4.282 4.340 -0.000 0.000 0.202 326 Q C 2.295 178.287 176.000 -0.013 0.000 0.982 326 Q CA 2.109 57.898 55.803 -0.023 0.000 0.838 326 Q CB -0.545 28.252 28.738 0.099 0.000 0.899 326 Q HN 0.630 nan 8.270 nan 0.000 0.423 327 A N -0.103 122.711 122.820 -0.009 0.000 1.958 327 A HA -0.228 4.092 4.320 -0.000 0.000 0.221 327 A C 2.067 179.676 177.584 0.042 0.000 1.178 327 A CA 2.108 54.165 52.037 0.033 0.000 0.642 327 A CB -0.850 18.206 19.000 0.094 0.000 0.816 327 A HN 0.491 nan 8.150 nan 0.000 0.453 328 S N -2.037 113.668 115.700 0.008 0.000 2.605 328 S HA 0.405 4.875 4.470 -0.000 0.000 0.217 328 S C 1.210 175.836 174.600 0.043 0.000 0.958 328 S CA 1.005 59.245 58.200 0.068 0.000 0.919 328 S CB -0.310 62.955 63.200 0.109 0.000 0.780 328 S HN 2.022 nan 8.310 nan 0.000 0.507 329 G N 0.321 109.128 108.800 0.012 0.000 2.132 329 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.234 329 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.234 329 G C 0.003 174.908 174.900 0.008 0.000 0.989 329 G CA 0.118 45.226 45.100 0.014 0.000 0.676 329 G HN 0.648 nan 8.290 nan 0.000 0.522 330 T N 2.995 117.544 114.554 -0.008 0.000 2.779 330 T HA 0.601 4.951 4.350 -0.000 0.000 0.280 330 T C -2.228 172.460 174.700 -0.020 0.000 0.987 330 T CA -1.040 61.058 62.100 -0.003 0.000 0.966 330 T CB 2.804 71.681 68.868 0.016 0.000 0.933 330 T HN 0.138 nan 8.240 nan 0.000 0.442 331 P HA 0.243 nan 4.420 nan 0.000 0.269 331 P C -0.794 176.493 177.300 -0.021 0.000 1.215 331 P CA -0.344 62.742 63.100 -0.023 0.000 0.780 331 P CB 0.638 32.322 31.700 -0.027 0.000 0.898 332 V N 3.697 123.594 119.914 -0.028 0.000 2.513 332 V HA 0.365 4.485 4.120 -0.000 0.000 0.299 332 V C 0.505 176.584 176.094 -0.025 0.000 1.035 332 V CA -0.629 61.660 62.300 -0.018 0.000 0.889 332 V CB 1.550 33.359 31.823 -0.023 0.000 0.988 332 V HN 0.358 nan 8.190 nan 0.000 0.440 333 I N 4.297 124.872 120.570 0.008 0.000 2.330 333 I HA 0.653 4.823 4.170 -0.000 0.000 0.286 333 I C 0.362 176.509 176.117 0.050 0.000 1.025 333 I CA -0.173 61.099 61.300 -0.046 0.000 1.197 333 I CB 1.291 39.243 38.000 -0.079 0.000 1.358 333 I HN 0.708 nan 8.210 nan 0.000 0.467 334 A N 4.899 127.707 122.820 -0.019 0.000 2.322 334 A HA 0.904 5.224 4.320 -0.000 0.000 0.327 334 A C -0.058 177.564 177.584 0.062 0.000 1.134 334 A CA -0.608 51.494 52.037 0.108 0.000 0.831 334 A CB 1.289 20.317 19.000 0.047 0.000 1.288 334 A HN 0.717 nan 8.150 nan 0.000 0.472 335 A N 0.425 123.369 122.820 0.206 0.000 2.388 335 A HA 0.492 4.812 4.320 -0.000 0.000 0.257 335 A C 0.609 178.199 177.584 0.010 0.000 1.095 335 A CA -0.402 51.689 52.037 0.090 0.000 0.791 335 A CB -0.032 19.006 19.000 0.063 0.000 1.029 335 A HN 0.809 nan 8.150 nan 0.000 0.489 336 R N 1.919 122.398 120.500 -0.036 0.000 2.605 336 R HA 0.379 4.719 4.340 -0.000 0.000 0.271 336 R C -1.330 174.996 176.300 0.043 0.000 1.418 336 R CA 0.272 56.368 56.100 -0.006 0.000 1.102 336 R CB -0.513 29.773 30.300 -0.023 0.000 1.131 336 R HN 0.472 nan 8.270 nan 0.000 0.554 337 V N 2.820 122.772 119.914 0.064 0.000 3.023 337 V HA 0.367 4.487 4.120 -0.000 0.000 0.294 337 V C 0.722 176.871 176.094 0.092 0.000 1.324 337 V CA -0.037 62.323 62.300 0.099 0.000 0.979 337 V CB 1.842 33.751 31.823 0.142 0.000 1.093 337 V HN 0.967 nan 8.190 nan 0.000 0.434 338 G N 3.872 112.731 108.800 0.098 0.000 2.661 338 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.327 338 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.327 338 G C 1.153 176.108 174.900 0.093 0.000 1.320 338 G CA 0.820 45.977 45.100 0.095 0.000 0.997 338 G HN 1.982 nan 8.290 nan 0.000 0.543 339 G N -0.447 108.414 108.800 0.101 0.000 2.650 339 G HA2 0.285 4.245 3.960 -0.000 0.000 0.214 339 G HA3 0.285 4.245 3.960 -0.000 0.000 0.214 339 G C 1.870 176.820 174.900 0.082 0.000 1.136 339 G CA 1.063 46.231 45.100 0.113 0.000 0.789 339 G HN 0.634 nan 8.290 nan 0.000 0.536 340 L N 0.754 122.014 121.223 0.061 0.000 2.013 340 L HA -0.105 4.235 4.340 -0.000 0.000 0.212 340 L C 0.082 176.980 176.870 0.046 0.000 1.073 340 L CA 1.439 56.305 54.840 0.043 0.000 0.753 340 L CB -1.273 40.808 42.059 0.038 0.000 0.890 340 L HN 0.126 nan 8.230 nan 0.000 0.432 341 P HA -0.181 nan 4.420 nan 0.000 0.220 341 P C 1.512 178.848 177.300 0.059 0.000 1.144 341 P CA 1.563 64.683 63.100 0.034 0.000 0.800 341 P CB 0.030 31.750 31.700 0.033 0.000 0.772 342 I N -1.686 118.936 120.570 0.087 0.000 2.731 342 I HA -0.015 4.155 4.170 -0.000 0.000 0.260 342 I C 2.286 178.524 176.117 0.202 0.000 1.138 342 I CA 0.705 62.081 61.300 0.127 0.000 1.461 342 I CB -0.670 37.396 38.000 0.109 0.000 1.128 342 I HN -0.162 nan 8.210 nan 0.000 0.438 343 A N 0.503 123.412 122.820 0.149 0.000 1.972 343 A HA -0.003 4.317 4.320 -0.000 0.000 0.219 343 A C 1.186 178.950 177.584 0.300 0.000 1.169 343 A CA 1.034 53.177 52.037 0.177 0.000 0.635 343 A CB -0.446 18.572 19.000 0.029 0.000 0.810 343 A HN 0.174 nan 8.150 nan 0.000 0.446 344 V N -0.093 119.902 119.914 0.134 0.000 2.417 344 V HA 0.552 4.672 4.120 -0.000 0.000 0.291 344 V C 0.314 176.351 176.094 -0.096 0.000 1.024 344 V CA -0.494 61.813 62.300 0.012 0.000 0.861 344 V CB 1.180 32.992 31.823 -0.018 0.000 0.985 344 V HN 0.422 nan 8.190 nan 0.000 0.436 345 A N 3.879 126.505 122.820 -0.323 0.000 2.671 345 A HA 0.308 4.628 4.320 -0.000 0.000 0.306 345 A C 0.469 177.951 177.584 -0.170 0.000 1.473 345 A CA -0.159 51.709 52.037 -0.282 0.000 1.155 345 A CB -0.468 18.265 19.000 -0.445 0.000 1.123 345 A HN 0.940 nan 8.150 nan 0.000 0.545 346 E N 1.896 122.031 120.200 -0.108 0.000 2.708 346 E HA 0.176 4.526 4.350 -0.000 0.000 0.260 346 E C 1.489 178.034 176.600 -0.091 0.000 0.937 346 E CA 1.295 57.639 56.400 -0.092 0.000 0.953 346 E CB 0.087 29.743 29.700 -0.072 0.000 0.915 346 E HN 1.292 nan 8.360 nan 0.000 0.487 347 G N 3.968 112.714 108.800 -0.090 0.000 2.328 347 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.256 347 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.256 347 G C 1.009 175.862 174.900 -0.078 0.000 1.014 347 G CA 0.741 45.794 45.100 -0.079 0.000 0.620 347 G HN 0.618 nan 8.290 nan 0.000 0.530 348 E N -0.689 119.454 120.200 -0.094 0.000 2.201 348 E HA 0.227 4.577 4.350 -0.000 0.000 0.193 348 E C 2.470 179.009 176.600 -0.100 0.000 0.957 348 E CA 1.775 58.118 56.400 -0.095 0.000 0.858 348 E CB 0.226 29.862 29.700 -0.106 0.000 0.816 348 E HN 0.732 nan 8.360 nan 0.000 0.475 349 T N -3.300 111.178 114.554 -0.127 0.000 3.111 349 T HA 0.587 4.937 4.350 -0.000 0.000 0.284 349 T C 0.574 175.225 174.700 -0.082 0.000 0.983 349 T CA 0.104 62.141 62.100 -0.106 0.000 0.900 349 T CB 0.858 69.639 68.868 -0.146 0.000 1.132 349 T HN 0.166 nan 8.240 nan 0.000 0.531 350 G N 0.784 109.531 108.800 -0.088 0.000 2.345 350 G HA2 0.424 4.384 3.960 -0.000 0.000 0.285 350 G HA3 0.424 4.384 3.960 -0.000 0.000 0.285 350 G C -2.278 172.562 174.900 -0.100 0.000 1.297 350 G CA -0.998 44.053 45.100 -0.082 0.000 0.875 350 G HN 0.363 nan 8.290 nan 0.000 0.506 351 L N -0.266 120.887 121.223 -0.118 0.000 2.323 351 L HA 0.754 5.094 4.340 -0.000 0.000 0.265 351 L C -0.504 176.257 176.870 -0.181 0.000 1.012 351 L CA -0.999 53.748 54.840 -0.155 0.000 0.820 351 L CB 2.112 44.056 42.059 -0.191 0.000 1.334 351 L HN 0.390 nan 8.230 nan 0.000 0.427 352 L N 2.222 123.330 121.223 -0.192 0.000 2.349 352 L HA 0.536 4.876 4.340 -0.000 0.000 0.278 352 L C -0.736 175.965 176.870 -0.282 0.000 0.996 352 L CA -0.771 53.947 54.840 -0.202 0.000 0.825 352 L CB 2.153 44.140 42.059 -0.120 0.000 1.243 352 L HN 0.238 nan 8.230 nan 0.000 0.412 353 V N 1.685 121.348 119.914 -0.418 0.000 2.439 353 V HA 0.216 4.336 4.120 -0.000 0.000 0.282 353 V C -0.405 175.519 176.094 -0.282 0.000 1.039 353 V CA -0.558 61.437 62.300 -0.507 0.000 0.913 353 V CB 1.876 33.021 31.823 -1.132 0.000 0.983 353 V HN 0.650 nan 8.190 nan 0.000 0.460 354 D N 3.399 123.683 120.400 -0.193 0.000 2.277 354 D HA 0.563 5.203 4.640 -0.000 0.000 0.249 354 D C 0.599 176.865 176.300 -0.057 0.000 1.134 354 D CA 1.404 55.346 54.000 -0.096 0.000 0.863 354 D CB 1.256 42.025 40.800 -0.051 0.000 1.143 354 D HN 1.042 nan 8.370 nan 0.000 0.458 355 G N 2.043 110.826 108.800 -0.030 0.000 2.782 355 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.228 355 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.228 355 G C -0.314 174.570 174.900 -0.026 0.000 1.372 355 G CA -0.601 44.548 45.100 0.082 0.000 0.862 355 G HN 0.690 nan 8.290 nan 0.000 0.547 356 H N -0.228 118.950 119.070 0.180 0.000 2.575 356 H HA 0.494 5.050 4.556 -0.000 0.000 0.256 356 H C 1.211 176.653 175.328 0.190 0.000 1.162 356 H CA 0.330 56.460 56.048 0.136 0.000 0.969 356 H CB 0.274 29.918 29.762 -0.197 0.000 1.796 356 H HN 0.791 nan 8.280 nan 0.000 0.607 357 S N 0.375 116.274 115.700 0.331 0.000 2.564 357 S HA 0.090 4.560 4.470 -0.000 0.000 0.278 357 S C -1.524 173.263 174.600 0.313 0.000 1.333 357 S CA -1.041 57.323 58.200 0.273 0.000 1.048 357 S CB 1.875 65.209 63.200 0.224 0.000 0.900 357 S HN -0.029 nan 8.310 nan 0.000 0.505 358 P HA -0.147 nan 4.420 nan 0.000 0.215 358 P C 1.274 178.705 177.300 0.219 0.000 1.153 358 P CA 1.581 64.803 63.100 0.204 0.000 0.853 358 P CB -0.152 31.636 31.700 0.148 0.000 0.788 359 H N 0.019 119.164 119.070 0.125 0.000 2.289 359 H HA -0.140 4.416 4.556 -0.000 0.000 0.296 359 H C 1.873 177.248 175.328 0.078 0.000 1.091 359 H CA 2.315 58.414 56.048 0.086 0.000 1.274 359 H CB -0.726 29.073 29.762 0.061 0.000 1.364 359 H HN -0.014 nan 8.280 nan 0.000 0.490 360 A N -0.145 122.777 122.820 0.171 0.000 1.908 360 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 360 A C 2.189 179.717 177.584 -0.094 0.000 1.181 360 A CA 1.584 53.636 52.037 0.025 0.000 0.627 360 A CB -1.246 17.777 19.000 0.039 0.000 0.818 360 A HN 0.685 nan 8.150 nan 0.000 0.445 361 W N -0.457 120.810 121.300 -0.055 0.000 2.418 361 W HA 0.106 4.766 4.660 -0.000 0.000 0.292 361 W C 2.770 179.239 176.519 -0.085 0.000 1.213 361 W CA 1.209 58.515 57.345 -0.065 0.000 1.283 361 W CB -0.295 29.141 29.460 -0.039 0.000 1.119 361 W HN 0.382 nan 8.180 nan 0.000 0.542 362 A N 0.513 123.396 122.820 0.104 0.000 1.865 362 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 362 A C 1.740 179.258 177.584 -0.110 0.000 1.191 362 A CA 2.236 54.260 52.037 -0.021 0.000 0.623 362 A CB -1.027 17.936 19.000 -0.061 0.000 0.826 362 A HN 0.174 nan 8.150 nan 0.000 0.444 363 D N 0.181 120.465 120.400 -0.193 0.000 2.126 363 D HA -0.154 4.486 4.640 -0.000 0.000 0.190 363 D C 2.188 178.393 176.300 -0.158 0.000 1.001 363 D CA 1.917 55.797 54.000 -0.199 0.000 0.841 363 D CB -0.581 40.084 40.800 -0.225 0.000 0.949 363 D HN 0.456 nan 8.370 nan 0.000 0.446 364 A N 0.258 122.966 122.820 -0.187 0.000 1.898 364 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 364 A C 2.423 179.922 177.584 -0.142 0.000 1.181 364 A CA 0.743 52.653 52.037 -0.212 0.000 0.620 364 A CB -0.719 18.056 19.000 -0.375 0.000 0.819 364 A HN 0.189 nan 8.150 nan 0.000 0.442 365 L N -0.717 120.455 121.223 -0.085 0.000 2.046 365 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 365 L C 3.077 179.907 176.870 -0.067 0.000 1.077 365 L CA 1.040 55.857 54.840 -0.039 0.000 0.747 365 L CB -0.414 41.656 42.059 0.018 0.000 0.896 365 L HN 0.433 nan 8.230 nan 0.000 0.432 366 A N -0.174 122.594 122.820 -0.086 0.000 1.933 366 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 366 A C 2.440 179.976 177.584 -0.080 0.000 1.175 366 A CA 2.250 54.232 52.037 -0.091 0.000 0.628 366 A CB -0.986 17.953 19.000 -0.102 0.000 0.814 366 A HN 0.526 nan 8.150 nan 0.000 0.444 367 T N -2.086 112.417 114.554 -0.085 0.000 2.904 367 T HA 0.016 4.366 4.350 -0.000 0.000 0.267 367 T C 1.786 176.446 174.700 -0.066 0.000 1.059 367 T CA 1.365 63.420 62.100 -0.075 0.000 1.137 367 T CB -0.371 68.448 68.868 -0.082 0.000 0.879 367 T HN 0.290 nan 8.240 nan 0.000 0.467 368 L N -0.211 120.971 121.223 -0.067 0.000 2.209 368 L HA 0.246 4.586 4.340 -0.000 0.000 0.207 368 L C 2.689 179.531 176.870 -0.046 0.000 1.094 368 L CA 0.551 55.358 54.840 -0.055 0.000 0.790 368 L CB -0.355 41.672 42.059 -0.053 0.000 0.932 368 L HN 0.259 nan 8.230 nan 0.000 0.447 369 L N -0.298 120.895 121.223 -0.051 0.000 2.056 369 L HA -0.210 4.130 4.340 -0.000 0.000 0.207 369 L C 1.855 178.696 176.870 -0.047 0.000 1.078 369 L CA 1.136 55.946 54.840 -0.050 0.000 0.749 369 L CB -0.393 41.627 42.059 -0.065 0.000 0.901 369 L HN 0.278 nan 8.230 nan 0.000 0.433 370 D N -1.308 119.063 120.400 -0.049 0.000 2.333 370 D HA -0.061 4.579 4.640 -0.000 0.000 0.208 370 D C 0.474 176.755 176.300 -0.032 0.000 0.984 370 D CA 0.661 54.636 54.000 -0.041 0.000 0.873 370 D CB -0.003 40.770 40.800 -0.044 0.000 0.935 370 D HN 0.140 nan 8.370 nan 0.000 0.521 371 D N 0.778 121.158 120.400 -0.034 0.000 2.493 371 D HA 0.061 4.701 4.640 -0.000 0.000 0.235 371 D C 0.356 176.641 176.300 -0.025 0.000 1.117 371 D CA -0.374 53.608 54.000 -0.029 0.000 0.930 371 D CB 0.716 41.495 40.800 -0.034 0.000 1.010 371 D HN -0.295 nan 8.370 nan 0.000 0.514 372 D N 1.558 121.947 120.400 -0.018 0.000 2.117 372 D HA -0.171 4.469 4.640 -0.000 0.000 0.197 372 D C 1.557 177.850 176.300 -0.012 0.000 0.987 372 D CA 0.925 54.918 54.000 -0.013 0.000 0.829 372 D CB 0.233 41.030 40.800 -0.005 0.000 0.961 372 D HN 0.623 nan 8.370 nan 0.000 0.460 373 E N -0.366 119.827 120.200 -0.012 0.000 2.072 373 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 373 E C 1.633 178.223 176.600 -0.016 0.000 0.985 373 E CA 1.281 57.674 56.400 -0.012 0.000 0.801 373 E CB 0.122 29.816 29.700 -0.011 0.000 0.750 373 E HN 0.149 nan 8.360 nan 0.000 0.452 374 T N 0.720 115.261 114.554 -0.022 0.000 2.674 374 T HA -0.185 4.165 4.350 -0.000 0.000 0.265 374 T C 1.879 176.562 174.700 -0.028 0.000 1.039 374 T CA 1.481 63.565 62.100 -0.027 0.000 1.150 374 T CB -0.274 68.574 68.868 -0.034 0.000 0.864 374 T HN 0.189 nan 8.240 nan 0.000 0.427 375 R N 0.531 121.015 120.500 -0.027 0.000 2.081 375 R HA -0.009 4.331 4.340 -0.000 0.000 0.235 375 R C 2.425 178.715 176.300 -0.018 0.000 1.131 375 R CA 1.336 57.421 56.100 -0.025 0.000 0.960 375 R CB -0.468 29.817 30.300 -0.023 0.000 0.856 375 R HN 0.377 nan 8.270 nan 0.000 0.436 376 I N 0.406 120.969 120.570 -0.013 0.000 2.286 376 I HA -0.263 3.907 4.170 -0.000 0.000 0.248 376 I C 2.832 178.943 176.117 -0.009 0.000 1.115 376 I CA 1.145 62.441 61.300 -0.007 0.000 1.392 376 I CB -0.207 37.791 38.000 -0.003 0.000 1.065 376 I HN 0.235 nan 8.210 nan 0.000 0.418 377 R N 0.548 121.040 120.500 -0.014 0.000 2.093 377 R HA -0.067 4.273 4.340 -0.000 0.000 0.224 377 R C 2.331 178.619 176.300 -0.021 0.000 1.101 377 R CA 0.990 57.080 56.100 -0.017 0.000 0.979 377 R CB -0.033 30.255 30.300 -0.019 0.000 0.877 377 R HN 0.281 nan 8.270 nan 0.000 0.441 378 M N -0.437 119.147 119.600 -0.027 0.000 2.080 378 M HA -0.114 4.366 4.480 -0.000 0.000 0.260 378 M C 2.306 178.591 176.300 -0.025 0.000 1.068 378 M CA 1.947 57.227 55.300 -0.034 0.000 1.109 378 M CB -0.671 31.904 32.600 -0.041 0.000 1.342 378 M HN 0.343 nan 8.290 nan 0.000 0.405 379 G N 0.463 109.253 108.800 -0.016 0.000 2.476 379 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 379 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 379 G C 1.283 176.181 174.900 -0.003 0.000 1.164 379 G CA 1.189 46.284 45.100 -0.007 0.000 0.768 379 G HN 0.548 nan 8.290 nan 0.000 0.560 380 E N 0.448 120.645 120.200 -0.005 0.000 2.106 380 E HA -0.085 4.265 4.350 -0.000 0.000 0.192 380 E C 2.112 178.709 176.600 -0.005 0.000 0.984 380 E CA 0.993 57.391 56.400 -0.003 0.000 0.806 380 E CB -0.066 29.632 29.700 -0.005 0.000 0.750 380 E HN 0.285 nan 8.360 nan 0.000 0.458 381 D N 0.708 121.102 120.400 -0.010 0.000 2.144 381 D HA -0.100 4.540 4.640 -0.000 0.000 0.200 381 D C 1.915 178.221 176.300 0.010 0.000 0.978 381 D CA 1.133 55.128 54.000 -0.009 0.000 0.833 381 D CB -0.217 40.568 40.800 -0.026 0.000 0.961 381 D HN 0.160 nan 8.370 nan 0.000 0.470 382 A N 0.676 123.503 122.820 0.011 0.000 1.978 382 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 382 A C 2.502 180.113 177.584 0.046 0.000 1.170 382 A CA 1.178 53.242 52.037 0.046 0.000 0.636 382 A CB -0.650 18.363 19.000 0.022 0.000 0.810 382 A HN 0.149 nan 8.150 nan 0.000 0.448 383 V N 0.153 120.075 119.914 0.013 0.000 2.261 383 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 383 V C 2.635 178.709 176.094 -0.033 0.000 1.047 383 V CA 2.161 64.458 62.300 -0.005 0.000 1.015 383 V CB -0.754 31.067 31.823 -0.003 0.000 0.642 383 V HN 0.666 nan 8.190 nan 0.000 0.446 384 E N -0.296 119.890 120.200 -0.023 0.000 2.118 384 E HA -0.291 4.059 4.350 -0.000 0.000 0.195 384 E C 2.234 178.788 176.600 -0.078 0.000 0.992 384 E CA 1.772 58.145 56.400 -0.046 0.000 0.804 384 E CB -0.355 29.331 29.700 -0.024 0.000 0.741 384 E HN 0.789 nan 8.360 nan 0.000 0.458 385 H N -0.318 118.671 119.070 -0.136 0.000 2.321 385 H HA -0.061 4.495 4.556 0.000 0.000 0.300 385 H C 1.777 176.871 175.328 -0.390 0.000 1.087 385 H CA 1.646 57.581 56.048 -0.189 0.000 1.319 385 H CB 0.115 29.820 29.762 -0.095 0.000 1.379 385 H HN 0.214 nan 8.280 nan 0.000 0.501 386 A N 0.959 123.564 122.820 -0.359 0.000 2.070 386 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 386 A C 2.383 179.520 177.584 -0.746 0.000 1.159 386 A CA 1.056 52.773 52.037 -0.533 0.000 0.656 386 A CB -0.427 18.551 19.000 -0.036 0.000 0.800 386 A HN 0.359 nan 8.150 nan 0.000 0.453 387 R N -0.187 120.027 120.500 -0.477 0.000 2.328 387 R HA -0.049 4.291 4.340 -0.000 0.000 0.207 387 R C 1.941 177.959 176.300 -0.471 0.000 1.056 387 R CA 1.253 57.135 56.100 -0.365 0.000 1.016 387 R CB -0.584 29.600 30.300 -0.194 0.000 0.872 387 R HN 0.687 nan 8.270 nan 0.000 0.471 388 T N -1.524 112.561 114.554 -0.782 0.000 3.163 388 T HA -0.006 4.344 4.350 -0.000 0.000 0.260 388 T C -0.033 174.333 174.700 -0.557 0.000 1.156 388 T CA 0.098 61.793 62.100 -0.676 0.000 1.072 388 T CB -0.401 68.080 68.868 -0.644 0.000 0.937 388 T HN 0.109 nan 8.240 nan 0.000 0.528 389 F N -2.038 117.782 119.950 -0.216 0.000 2.639 389 F HA 0.678 5.205 4.527 -0.000 0.000 0.320 389 F C -0.181 175.441 175.800 -0.296 0.000 1.128 389 F CA -1.619 56.225 58.000 -0.260 0.000 1.037 389 F CB 0.810 39.629 39.000 -0.302 0.000 1.288 389 F HN -0.094 nan 8.300 nan 0.000 0.463 390 S N 1.736 117.367 115.700 -0.115 0.000 3.970 390 S HA -0.135 4.335 4.470 -0.000 0.000 0.634 390 S C -0.034 174.517 174.600 -0.083 0.000 0.604 390 S CA -0.321 57.822 58.200 -0.095 0.000 1.238 390 S CB -1.353 61.819 63.200 -0.047 0.000 0.656 390 S HN 0.923 nan 8.310 nan 0.000 0.815 391 W N 1.543 122.857 121.300 0.025 0.000 2.538 391 W HA -0.021 4.639 4.660 -0.000 0.000 0.254 391 W C 2.108 178.605 176.519 -0.037 0.000 1.249 391 W CA 0.671 57.997 57.345 -0.032 0.000 1.253 391 W CB -0.042 29.400 29.460 -0.030 0.000 1.130 391 W HN 0.739 nan 8.180 nan 0.000 0.618 392 A N 0.003 122.931 122.820 0.181 0.000 1.871 392 A HA 0.236 4.556 4.320 -0.000 0.000 0.211 392 A C 2.026 179.648 177.584 0.062 0.000 1.207 392 A CA 1.880 53.984 52.037 0.111 0.000 0.620 392 A CB -1.185 17.866 19.000 0.085 0.000 0.860 392 A HN 0.278 nan 8.150 nan 0.000 0.450 393 A N -1.741 121.100 122.820 0.035 0.000 2.821 393 A HA -0.440 3.879 4.320 -0.000 0.000 0.370 393 A C 2.127 179.727 177.584 0.027 0.000 1.684 393 A CA 3.421 55.470 52.037 0.021 0.000 0.999 393 A CB -2.328 16.674 19.000 0.003 0.000 1.490 393 A HN 0.729 nan 8.150 nan 0.000 0.672 394 T N -0.055 114.535 114.554 0.060 0.000 2.737 394 T HA 0.157 4.507 4.350 -0.000 0.000 0.265 394 T C 2.225 176.953 174.700 0.047 0.000 1.038 394 T CA 2.737 64.877 62.100 0.066 0.000 1.144 394 T CB -0.680 68.265 68.868 0.129 0.000 0.866 394 T HN 1.374 nan 8.240 nan 0.000 0.434 395 A N 1.620 124.475 122.820 0.059 0.000 1.908 395 A HA 0.090 4.410 4.320 -0.000 0.000 0.218 395 A C 2.664 180.233 177.584 -0.025 0.000 1.181 395 A CA 1.954 54.003 52.037 0.020 0.000 0.627 395 A CB -1.199 17.827 19.000 0.044 0.000 0.818 395 A HN 0.507 nan 8.150 nan 0.000 0.445 396 A N -0.623 122.194 122.820 -0.006 0.000 1.908 396 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 396 A C 2.132 179.687 177.584 -0.049 0.000 1.181 396 A CA 1.784 53.810 52.037 -0.019 0.000 0.627 396 A CB -0.635 18.363 19.000 -0.003 0.000 0.818 396 A HN 0.690 nan 8.150 nan 0.000 0.445 397 Q N -0.469 119.305 119.800 -0.045 0.000 2.050 397 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 397 Q C 2.134 178.050 176.000 -0.141 0.000 0.980 397 Q CA 1.554 57.320 55.803 -0.062 0.000 0.840 397 Q CB -0.392 28.327 28.738 -0.032 0.000 0.898 397 Q HN 0.694 nan 8.270 nan 0.000 0.424 398 L N 0.102 121.203 121.223 -0.202 0.000 2.046 398 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 398 L C 2.639 179.030 176.870 -0.798 0.000 1.077 398 L CA 0.798 55.327 54.840 -0.518 0.000 0.747 398 L CB -0.606 41.179 42.059 -0.456 0.000 0.896 398 L HN 0.171 nan 8.230 nan 0.000 0.432 399 S N -0.379 115.079 115.700 -0.404 0.000 2.380 399 S HA -0.280 4.190 4.470 -0.000 0.000 0.229 399 S C 2.239 176.778 174.600 -0.102 0.000 1.050 399 S CA 2.163 60.257 58.200 -0.178 0.000 1.100 399 S CB -0.202 62.967 63.200 -0.053 0.000 0.984 399 S HN 0.446 nan 8.310 nan 0.000 0.434 400 S N 0.980 116.624 115.700 -0.093 0.000 2.368 400 S HA -0.036 4.433 4.470 -0.000 0.000 0.225 400 S C 1.709 176.293 174.600 -0.026 0.000 1.030 400 S CA 0.996 59.174 58.200 -0.036 0.000 0.999 400 S CB -0.497 62.683 63.200 -0.033 0.000 0.844 400 S HN 0.322 nan 8.310 nan 0.000 0.459 401 L N 1.099 122.266 121.223 -0.093 0.000 2.013 401 L HA -0.125 4.215 4.340 -0.000 0.000 0.212 401 L C 2.038 178.972 176.870 0.107 0.000 1.073 401 L CA 1.836 56.652 54.840 -0.040 0.000 0.753 401 L CB -1.155 40.829 42.059 -0.125 0.000 0.890 401 L HN 0.284 nan 8.230 nan 0.000 0.432 402 Y N -0.122 120.184 120.300 0.010 0.000 2.114 402 Y HA -0.209 4.341 4.550 -0.000 0.000 0.284 402 Y C 2.638 178.556 175.900 0.029 0.000 1.143 402 Y CA 1.039 59.154 58.100 0.024 0.000 1.135 402 Y CB -1.395 37.095 38.460 0.049 0.000 0.980 402 Y HN 0.333 nan 8.280 nan 0.000 0.499 403 N N 0.501 119.317 118.700 0.194 0.000 2.069 403 N HA -0.175 4.565 4.740 -0.000 0.000 0.191 403 N C 1.340 176.901 175.510 0.085 0.000 1.031 403 N CA 1.683 54.803 53.050 0.116 0.000 0.852 403 N CB -0.481 38.055 38.487 0.081 0.000 1.018 403 N HN 0.378 nan 8.380 nan 0.000 0.423 404 D N 1.136 121.579 120.400 0.071 0.000 2.104 404 D HA -0.097 4.543 4.640 -0.000 0.000 0.194 404 D C 1.928 178.263 176.300 0.058 0.000 0.994 404 D CA 1.286 55.318 54.000 0.053 0.000 0.830 404 D CB -0.488 40.335 40.800 0.039 0.000 0.959 404 D HN 0.238 nan 8.370 nan 0.000 0.452 405 A N 0.612 123.478 122.820 0.077 0.000 1.883 405 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 405 A C 2.419 180.042 177.584 0.065 0.000 1.186 405 A CA 1.211 53.290 52.037 0.070 0.000 0.624 405 A CB -0.798 18.253 19.000 0.086 0.000 0.822 405 A HN 0.213 nan 8.150 nan 0.000 0.444 406 I N -0.399 120.216 120.570 0.075 0.000 2.133 406 I HA -0.260 3.910 4.170 -0.000 0.000 0.238 406 I C 2.999 179.147 176.117 0.052 0.000 1.074 406 I CA 1.024 62.362 61.300 0.063 0.000 1.342 406 I CB -0.466 37.575 38.000 0.068 0.000 1.053 406 I HN 0.347 nan 8.210 nan 0.000 0.404 407 A N 0.920 123.770 122.820 0.050 0.000 1.971 407 A HA -0.290 4.030 4.320 -0.000 0.000 0.222 407 A C 1.728 179.334 177.584 0.035 0.000 1.182 407 A CA 2.572 54.633 52.037 0.040 0.000 0.649 407 A CB -1.175 17.847 19.000 0.037 0.000 0.818 407 A HN 0.637 nan 8.150 nan 0.000 0.458 408 N N -0.257 118.465 118.700 0.037 0.000 2.268 408 N HA 0.150 4.890 4.740 -0.000 0.000 0.204 408 N C 0.224 175.754 175.510 0.034 0.000 1.124 408 N CA 0.257 53.326 53.050 0.032 0.000 0.838 408 N CB 0.252 38.756 38.487 0.029 0.000 0.994 408 N HN 0.837 nan 8.380 nan 0.000 0.489 409 E N 0.000 120.223 120.200 0.038 0.000 2.725 409 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 409 E CA 0.000 56.425 56.400 0.042 0.000 0.976 409 E CB 0.000 29.730 29.700 0.050 0.000 0.812 409 E HN 0.000 nan 8.360 nan 0.000 0.440