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 1t7n_1_A DATA FIRST_RESID 27 DATA SEQUENCE SHMAHQDALP RLPVPPLQQS LDYYLKALQP IVSEEEWAHT KQLVDEFQTS DATA SEQUENCE GGVGERLQKG LERRAKKMEN WLSEWWLKTA YLQFRQPVVI YSSPGVILPK DATA SEQUENCE QDFVDLQGQL RFAAKLIEGV LDFKSMIDNE TLPVEFLGGQ PLCMNQYYQI DATA SEQUENCE LSSCRVPGPK QDSVVNFLKS KRPPTHITVV HNYQFFELDV YHSDGTPLTS DATA SEQUENCE DQIFVQLEKI WNSSLQSNKE PVGILTSNHR NTWAKAYNNL IKDKVNRESV DATA SEQUENCE NSIQKSIFTV CLDKQVPRVS DDVYRNHVAG QMLHGGGSKF NSGNRWFDKT DATA SEQUENCE LQFIVAEDGS CGMVYEHAAA EGPPIVALVD HVMEYTKKPE LVRSPMVPLP DATA SEQUENCE MPKKLRFNIT PEIKNDIEKA KQNLSIMIQD LDIMMLTFHH FGKDFPKSEK DATA SEQUENCE LSPDAFIQVA LQLAYYRIYG QACATYESAS LRMFHLGRTD TIRSASIDSL DATA SEQUENCE AFVKGMGDST VPEQQKVELL RKAVQAHRAY TDRAIRGEAF DRHLLGLKLQ DATA SEQUENCE AIEDLVSMPD IFMDTSYAIA MHFNLSTSQV PAKTDCVGFF GPVVPDGYGI DATA SEQUENCE CYNPMEAHIN FSVSAYNSCA ETNAARMAHY LEKALLDMRT LLQNHPRAK 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 27 S HA 0.000 nan 4.470 nan 0.000 0.327 27 S C 0.000 174.617 174.600 0.028 0.000 1.055 27 S CA 0.000 58.195 58.200 -0.009 0.000 1.107 27 S CB 0.000 63.233 63.200 0.055 0.000 0.593 28 H N 1.290 120.331 119.070 -0.049 0.000 3.209 28 H HA -0.055 4.500 4.556 -0.002 0.000 0.297 28 H C 1.352 176.682 175.328 0.004 0.000 0.936 28 H CA 0.709 56.745 56.048 -0.019 0.000 1.392 28 H CB 0.419 30.178 29.762 -0.006 0.000 1.349 28 H HN 0.447 nan 8.280 nan 0.000 0.568 29 M N 5.092 124.722 119.600 0.050 0.000 2.108 29 M HA -0.161 4.319 4.480 -0.002 0.000 0.261 29 M C 2.182 178.409 176.300 -0.122 0.000 1.066 29 M CA 2.215 57.484 55.300 -0.052 0.000 1.107 29 M CB -0.556 32.016 32.600 -0.047 0.000 1.356 29 M HN 0.712 nan 8.290 nan 0.000 0.406 30 A N -1.558 121.107 122.820 -0.258 0.000 1.933 30 A HA -0.218 4.101 4.320 -0.002 0.000 0.218 30 A C 2.088 179.599 177.584 -0.122 0.000 1.175 30 A CA 2.144 54.048 52.037 -0.223 0.000 0.628 30 A CB -1.234 17.569 19.000 -0.328 0.000 0.814 30 A HN 0.767 nan 8.150 nan 0.000 0.444 31 H N -0.443 118.527 119.070 -0.166 0.000 2.270 31 H HA -0.129 4.426 4.556 -0.002 0.000 0.299 31 H C 2.248 177.513 175.328 -0.106 0.000 1.077 31 H CA 2.206 58.203 56.048 -0.085 0.000 1.294 31 H CB -0.040 29.699 29.762 -0.037 0.000 1.371 31 H HN 0.361 nan 8.280 nan 0.000 0.491 32 Q N 0.282 120.061 119.800 -0.034 0.000 2.135 32 Q HA -0.146 4.193 4.340 -0.002 0.000 0.204 32 Q C 1.844 177.670 176.000 -0.289 0.000 0.981 32 Q CA 1.458 57.172 55.803 -0.148 0.000 0.856 32 Q CB -0.264 28.428 28.738 -0.076 0.000 0.902 32 Q HN 0.630 nan 8.270 nan 0.000 0.425 33 D N 0.252 120.523 120.400 -0.216 0.000 2.218 33 D HA -0.070 4.569 4.640 -0.002 0.000 0.204 33 D C 1.414 177.607 176.300 -0.178 0.000 0.976 33 D CA 1.096 54.974 54.000 -0.204 0.000 0.853 33 D CB 0.049 40.767 40.800 -0.138 0.000 0.939 33 D HN 0.247 nan 8.370 nan 0.000 0.481 34 A N 0.027 122.739 122.820 -0.180 0.000 2.208 34 A HA 0.095 4.414 4.320 -0.002 0.000 0.209 34 A C 1.075 178.562 177.584 -0.161 0.000 1.161 34 A CA -0.089 51.860 52.037 -0.147 0.000 0.782 34 A CB -0.224 18.697 19.000 -0.132 0.000 0.816 34 A HN 0.142 nan 8.150 nan 0.000 0.477 35 L N 2.133 123.232 121.223 -0.207 0.000 2.416 35 L HA 0.206 4.545 4.340 -0.002 0.000 0.272 35 L C -1.752 175.089 176.870 -0.049 0.000 1.161 35 L CA -1.635 53.112 54.840 -0.155 0.000 0.845 35 L CB 0.490 42.468 42.059 -0.135 0.000 1.119 35 L HN 0.199 nan 8.230 nan 0.000 0.464 36 P HA 0.123 nan 4.420 nan 0.000 0.274 36 P C -1.104 176.354 177.300 0.263 0.000 1.237 36 P CA -0.618 62.553 63.100 0.118 0.000 0.793 36 P CB 0.640 32.419 31.700 0.132 0.000 0.977 37 R N 1.546 122.193 120.500 0.246 0.000 2.500 37 R HA 0.407 4.746 4.340 -0.002 0.000 0.275 37 R C -0.189 176.249 176.300 0.230 0.000 1.051 37 R CA -0.983 55.261 56.100 0.241 0.000 1.088 37 R CB 0.076 30.473 30.300 0.162 0.000 1.063 37 R HN 0.267 nan 8.270 nan 0.000 0.511 38 L N 4.114 125.393 121.223 0.094 0.000 2.559 38 L HA 0.138 4.477 4.340 -0.002 0.000 0.274 38 L C -2.001 174.856 176.870 -0.022 0.000 1.205 38 L CA -0.922 53.783 54.840 -0.224 0.000 0.907 38 L CB 0.260 42.149 42.059 -0.284 0.000 1.153 38 L HN 0.692 nan 8.230 nan 0.000 0.490 39 P HA 0.182 nan 4.420 nan 0.000 0.279 39 P C -1.379 175.961 177.300 0.067 0.000 1.276 39 P CA -0.452 62.632 63.100 -0.026 0.000 0.801 39 P CB 1.343 32.987 31.700 -0.093 0.000 1.127 40 V N 1.879 121.719 119.914 -0.123 0.000 2.326 40 V HA 0.269 4.388 4.120 -0.002 0.000 0.281 40 V C -2.095 173.803 176.094 -0.327 0.000 1.015 40 V CA -1.731 60.350 62.300 -0.365 0.000 0.823 40 V CB 0.746 32.279 31.823 -0.483 0.000 1.009 40 V HN 0.549 nan 8.190 nan 0.000 0.436 41 P HA 0.239 nan 4.420 nan 0.000 0.270 41 P C -2.663 174.587 177.300 -0.085 0.000 1.223 41 P CA -1.185 61.810 63.100 -0.175 0.000 0.785 41 P CB -0.096 31.585 31.700 -0.031 0.000 0.923 42 P HA 0.006 nan 4.420 nan 0.000 0.268 42 P C 0.737 178.145 177.300 0.180 0.000 1.205 42 P CA -0.136 63.006 63.100 0.070 0.000 0.771 42 P CB 0.351 32.077 31.700 0.043 0.000 0.858 43 L N 3.455 124.776 121.223 0.163 0.000 2.042 43 L HA -0.212 4.127 4.340 -0.002 0.000 0.210 43 L C 2.260 179.186 176.870 0.092 0.000 1.076 43 L CA 1.949 56.887 54.840 0.163 0.000 0.749 43 L CB -1.075 41.013 42.059 0.048 0.000 0.893 43 L HN 0.427 nan 8.230 nan 0.000 0.432 44 Q N -1.133 118.691 119.800 0.040 0.000 2.124 44 Q HA -0.283 4.056 4.340 -0.002 0.000 0.202 44 Q C 2.263 178.250 176.000 -0.021 0.000 0.977 44 Q CA 1.958 57.761 55.803 0.000 0.000 0.850 44 Q CB -0.133 28.593 28.738 -0.020 0.000 0.901 44 Q HN 0.723 nan 8.270 nan 0.000 0.429 45 Q N -0.471 119.331 119.800 0.003 0.000 2.020 45 Q HA -0.153 4.186 4.340 -0.002 0.000 0.202 45 Q C 2.074 178.085 176.000 0.019 0.000 0.982 45 Q CA 1.900 57.671 55.803 -0.054 0.000 0.838 45 Q CB -0.070 28.696 28.738 0.048 0.000 0.899 45 Q HN 0.286 nan 8.270 nan 0.000 0.423 46 S N 0.822 116.657 115.700 0.224 0.000 2.368 46 S HA -0.096 4.373 4.470 -0.002 0.000 0.225 46 S C 1.916 176.570 174.600 0.090 0.000 1.030 46 S CA 1.066 59.468 58.200 0.336 0.000 0.999 46 S CB -0.215 63.266 63.200 0.468 0.000 0.844 46 S HN 0.358 nan 8.310 nan 0.000 0.459 47 L N 0.888 122.127 121.223 0.026 0.000 2.141 47 L HA -0.127 4.212 4.340 -0.002 0.000 0.209 47 L C 2.296 179.146 176.870 -0.033 0.000 1.094 47 L CA 1.288 56.122 54.840 -0.011 0.000 0.763 47 L CB -0.508 41.556 42.059 0.008 0.000 0.908 47 L HN 0.277 nan 8.230 nan 0.000 0.437 48 D N -0.897 119.459 120.400 -0.073 0.000 2.117 48 D HA -0.211 4.428 4.640 -0.002 0.000 0.198 48 D C 2.058 178.322 176.300 -0.060 0.000 0.982 48 D CA 1.211 55.150 54.000 -0.102 0.000 0.828 48 D CB 0.054 40.736 40.800 -0.197 0.000 0.967 48 D HN 0.150 nan 8.370 nan 0.000 0.464 49 Y N -0.609 119.676 120.300 -0.025 0.000 2.242 49 Y HA -0.133 4.416 4.550 -0.002 0.000 0.291 49 Y C 2.038 177.823 175.900 -0.192 0.000 1.137 49 Y CA 0.905 58.998 58.100 -0.011 0.000 1.181 49 Y CB -1.073 37.475 38.460 0.146 0.000 0.989 49 Y HN 0.151 nan 8.280 nan 0.000 0.527 50 Y N 0.245 120.168 120.300 -0.629 0.000 2.097 50 Y HA -0.248 4.301 4.550 -0.002 0.000 0.282 50 Y C 2.107 177.868 175.900 -0.231 0.000 1.152 50 Y CA 1.391 58.910 58.100 -0.968 0.000 1.136 50 Y CB -0.866 37.069 38.460 -0.875 0.000 0.975 50 Y HN 0.059 nan 8.280 nan 0.000 0.498 51 L N 0.108 121.188 121.223 -0.238 0.000 2.042 51 L HA -0.276 4.063 4.340 -0.002 0.000 0.210 51 L C 2.513 179.531 176.870 0.246 0.000 1.076 51 L CA 1.892 56.657 54.840 -0.124 0.000 0.749 51 L CB -0.543 41.494 42.059 -0.037 0.000 0.893 51 L HN 0.182 nan 8.230 nan 0.000 0.432 52 K N -0.176 120.341 120.400 0.194 0.000 2.097 52 K HA -0.142 4.177 4.320 -0.002 0.000 0.206 52 K C 2.111 178.847 176.600 0.226 0.000 1.049 52 K CA 1.378 57.794 56.287 0.215 0.000 0.933 52 K CB -0.212 32.417 32.500 0.216 0.000 0.717 52 K HN 0.295 nan 8.250 nan 0.000 0.442 53 A N 0.727 123.707 122.820 0.268 0.000 2.066 53 A HA -0.021 4.298 4.320 -0.002 0.000 0.218 53 A C 1.922 179.660 177.584 0.256 0.000 1.157 53 A CA 0.878 53.124 52.037 0.349 0.000 0.670 53 A CB -0.277 19.093 19.000 0.616 0.000 0.804 53 A HN 0.147 nan 8.150 nan 0.000 0.453 54 L N -1.323 120.000 121.223 0.166 0.000 2.209 54 L HA -0.119 4.220 4.340 -0.002 0.000 0.207 54 L C 2.669 179.679 176.870 0.232 0.000 1.094 54 L CA 1.073 56.003 54.840 0.149 0.000 0.790 54 L CB -0.376 41.670 42.059 -0.022 0.000 0.932 54 L HN 0.552 nan 8.230 nan 0.000 0.447 55 Q N 0.941 120.866 119.800 0.208 0.000 2.082 55 Q HA -0.222 4.117 4.340 -0.002 0.000 0.211 55 Q C -0.715 175.286 176.000 0.003 0.000 1.002 55 Q CA 2.438 58.216 55.803 -0.042 0.000 0.868 55 Q CB -0.679 27.939 28.738 -0.200 0.000 0.931 55 Q HN 0.318 nan 8.270 nan 0.000 0.414 56 P HA -0.047 nan 4.420 nan 0.000 0.241 56 P C 0.774 178.135 177.300 0.102 0.000 1.191 56 P CA 1.000 64.144 63.100 0.073 0.000 0.771 56 P CB -0.114 31.641 31.700 0.090 0.000 0.929 57 I N -3.261 117.377 120.570 0.113 0.000 4.081 57 I HA 0.252 4.421 4.170 -0.002 0.000 0.333 57 I C 0.210 176.386 176.117 0.098 0.000 1.413 57 I CA -0.643 60.723 61.300 0.109 0.000 1.110 57 I CB 0.842 38.908 38.000 0.110 0.000 1.082 57 I HN -0.303 nan 8.210 nan 0.000 0.402 58 V N -1.216 118.765 119.914 0.111 0.000 3.102 58 V HA 0.723 4.842 4.120 -0.002 0.000 0.312 58 V C 0.331 176.490 176.094 0.109 0.000 1.135 58 V CA -0.275 62.091 62.300 0.110 0.000 1.022 58 V CB 1.383 33.287 31.823 0.136 0.000 1.056 58 V HN 0.307 nan 8.190 nan 0.000 0.436 59 S N 0.422 116.179 115.700 0.096 0.000 2.600 59 S HA 0.267 4.736 4.470 -0.002 0.000 0.265 59 S C 0.743 175.413 174.600 0.118 0.000 1.325 59 S CA 0.435 58.685 58.200 0.083 0.000 1.002 59 S CB 0.590 63.827 63.200 0.062 0.000 0.921 59 S HN 0.870 nan 8.310 nan 0.000 0.554 60 E N 0.854 121.104 120.200 0.083 0.000 2.153 60 E HA -0.178 4.171 4.350 -0.002 0.000 0.194 60 E C 1.718 178.413 176.600 0.158 0.000 0.988 60 E CA 1.563 58.022 56.400 0.097 0.000 0.811 60 E CB -0.146 29.578 29.700 0.040 0.000 0.746 60 E HN 0.749 nan 8.360 nan 0.000 0.466 61 E N 1.104 121.372 120.200 0.114 0.000 2.047 61 E HA -0.155 4.194 4.350 -0.002 0.000 0.191 61 E C 1.809 178.485 176.600 0.127 0.000 0.987 61 E CA 1.054 57.515 56.400 0.102 0.000 0.799 61 E CB -0.102 29.630 29.700 0.053 0.000 0.752 61 E HN 0.277 nan 8.360 nan 0.000 0.449 62 E N -0.417 119.856 120.200 0.121 0.000 2.153 62 E HA -0.179 4.170 4.350 -0.002 0.000 0.194 62 E C 1.689 178.378 176.600 0.148 0.000 0.988 62 E CA 0.799 57.270 56.400 0.119 0.000 0.811 62 E CB -0.208 29.548 29.700 0.093 0.000 0.746 62 E HN 0.339 nan 8.360 nan 0.000 0.466 63 W N 1.237 122.545 121.300 0.013 0.000 2.409 63 W HA -0.069 4.590 4.660 -0.002 0.000 0.299 63 W C 2.388 178.899 176.519 -0.012 0.000 1.203 63 W CA 1.672 59.005 57.345 -0.021 0.000 1.298 63 W CB -0.110 29.332 29.460 -0.031 0.000 1.127 63 W HN 0.011 nan 8.180 nan 0.000 0.528 64 A N -0.832 122.190 122.820 0.336 0.000 1.933 64 A HA -0.289 4.030 4.320 -0.002 0.000 0.218 64 A C 2.030 179.619 177.584 0.007 0.000 1.175 64 A CA 1.931 54.093 52.037 0.207 0.000 0.628 64 A CB -1.440 17.694 19.000 0.222 0.000 0.814 64 A HN 0.623 nan 8.150 nan 0.000 0.444 65 H N -0.364 118.671 119.070 -0.059 0.000 2.326 65 H HA -0.098 4.457 4.556 -0.001 0.000 0.301 65 H C 1.997 177.221 175.328 -0.173 0.000 1.081 65 H CA 1.908 57.903 56.048 -0.088 0.000 1.334 65 H CB 0.006 29.737 29.762 -0.052 0.000 1.385 65 H HN 0.434 nan 8.280 nan 0.000 0.504 66 T N 0.923 115.311 114.554 -0.277 0.000 2.788 66 T HA -0.145 4.204 4.350 -0.002 0.000 0.268 66 T C 1.971 176.357 174.700 -0.522 0.000 1.044 66 T CA 1.629 63.483 62.100 -0.409 0.000 1.139 66 T CB -0.126 68.494 68.868 -0.413 0.000 0.867 66 T HN 0.197 nan 8.240 nan 0.000 0.454 67 K N 1.273 121.268 120.400 -0.676 0.000 2.063 67 K HA -0.109 4.210 4.320 -0.002 0.000 0.208 67 K C 2.370 178.760 176.600 -0.350 0.000 1.048 67 K CA 1.381 57.282 56.287 -0.643 0.000 0.928 67 K CB -0.339 31.734 32.500 -0.712 0.000 0.713 67 K HN 0.168 nan 8.250 nan 0.000 0.442 68 Q N 0.263 119.885 119.800 -0.297 0.000 2.046 68 Q HA -0.066 4.273 4.340 -0.002 0.000 0.200 68 Q C 2.276 178.133 176.000 -0.239 0.000 0.975 68 Q CA 1.462 57.133 55.803 -0.220 0.000 0.836 68 Q CB -0.306 28.321 28.738 -0.186 0.000 0.896 68 Q HN 0.376 nan 8.270 nan 0.000 0.428 69 L N -0.068 120.947 121.223 -0.347 0.000 2.042 69 L HA -0.175 4.164 4.340 -0.002 0.000 0.210 69 L C 2.462 179.217 176.870 -0.192 0.000 1.076 69 L CA 0.849 55.512 54.840 -0.296 0.000 0.749 69 L CB -0.655 41.173 42.059 -0.385 0.000 0.893 69 L HN 0.036 nan 8.230 nan 0.000 0.432 70 V N -0.178 119.610 119.914 -0.210 0.000 2.343 70 V HA -0.295 3.824 4.120 -0.002 0.000 0.247 70 V C 2.170 178.237 176.094 -0.044 0.000 1.051 70 V CA 1.903 64.132 62.300 -0.119 0.000 1.036 70 V CB -0.517 31.212 31.823 -0.158 0.000 0.654 70 V HN 0.438 nan 8.190 nan 0.000 0.451 71 D N -0.092 120.254 120.400 -0.090 0.000 2.104 71 D HA -0.175 4.464 4.640 -0.002 0.000 0.194 71 D C 2.229 178.504 176.300 -0.042 0.000 0.994 71 D CA 1.446 55.408 54.000 -0.063 0.000 0.830 71 D CB -0.201 40.555 40.800 -0.074 0.000 0.959 71 D HN 0.560 nan 8.370 nan 0.000 0.452 72 E N -0.355 119.818 120.200 -0.045 0.000 2.077 72 E HA -0.166 4.183 4.350 -0.002 0.000 0.193 72 E C 1.928 178.534 176.600 0.009 0.000 0.989 72 E CA 0.421 56.803 56.400 -0.029 0.000 0.800 72 E CB -0.206 29.469 29.700 -0.042 0.000 0.746 72 E HN 0.197 nan 8.360 nan 0.000 0.452 73 F N 2.279 122.142 119.950 -0.145 0.000 2.161 73 F HA -0.189 4.337 4.527 -0.001 0.000 0.300 73 F C 2.137 177.867 175.800 -0.117 0.000 1.089 73 F CA 1.729 59.639 58.000 -0.150 0.000 1.282 73 F CB -0.001 38.872 39.000 -0.212 0.000 1.010 73 F HN -0.043 nan 8.300 nan 0.000 0.485 74 Q N -0.382 119.344 119.800 -0.123 0.000 2.204 74 Q HA 0.131 4.470 4.340 -0.002 0.000 0.209 74 Q C 0.587 176.500 176.000 -0.145 0.000 0.861 74 Q CA 0.050 55.730 55.803 -0.206 0.000 0.971 74 Q CB -0.481 28.199 28.738 -0.097 0.000 1.095 74 Q HN 0.185 nan 8.270 nan 0.000 0.486 75 T N 1.123 115.605 114.554 -0.120 0.000 2.932 75 T HA 0.012 4.361 4.350 -0.002 0.000 0.312 75 T C 0.005 174.647 174.700 -0.097 0.000 1.071 75 T CA 0.148 62.194 62.100 -0.089 0.000 1.128 75 T CB 1.004 69.831 68.868 -0.068 0.000 0.984 75 T HN 0.418 nan 8.240 nan 0.000 0.549 76 S N 2.549 118.205 115.700 -0.074 0.000 2.563 76 S HA 0.322 4.791 4.470 -0.002 0.000 0.294 76 S C 1.546 176.104 174.600 -0.069 0.000 1.279 76 S CA 0.895 59.054 58.200 -0.069 0.000 1.069 76 S CB -0.679 62.491 63.200 -0.050 0.000 0.828 76 S HN 1.459 nan 8.310 nan 0.000 0.497 77 G N 3.318 112.074 108.800 -0.074 0.000 2.168 77 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.263 77 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.263 77 G C 0.578 175.431 174.900 -0.079 0.000 0.977 77 G CA 0.397 45.457 45.100 -0.067 0.000 0.659 77 G HN 1.197 nan 8.290 nan 0.000 0.533 78 G N -1.281 107.454 108.800 -0.108 0.000 2.508 78 G HA2 0.534 4.493 3.960 -0.002 0.000 0.278 78 G HA3 0.534 4.493 3.960 -0.002 0.000 0.278 78 G C 1.294 176.098 174.900 -0.161 0.000 1.389 78 G CA 0.437 45.463 45.100 -0.124 0.000 1.050 78 G HN 0.653 nan 8.290 nan 0.000 0.522 79 V N 0.957 120.767 119.914 -0.173 0.000 2.237 79 V HA -0.090 4.029 4.120 -0.002 0.000 0.245 79 V C 3.160 179.032 176.094 -0.370 0.000 1.046 79 V CA 2.515 64.714 62.300 -0.169 0.000 1.007 79 V CB -1.239 30.565 31.823 -0.032 0.000 0.638 79 V HN 0.810 nan 8.190 nan 0.000 0.445 80 G N -0.827 107.428 108.800 -0.910 0.000 2.442 80 G HA2 -0.324 3.635 3.960 -0.002 0.000 0.219 80 G HA3 -0.324 3.635 3.960 -0.002 0.000 0.219 80 G C 1.527 176.082 174.900 -0.576 0.000 1.141 80 G CA 1.062 45.323 45.100 -1.398 0.000 0.763 80 G HN 0.601 nan 8.290 nan 0.000 0.554 81 E N 0.352 120.313 120.200 -0.399 0.000 2.058 81 E HA -0.170 4.179 4.350 -0.002 0.000 0.194 81 E C 2.657 179.167 176.600 -0.150 0.000 0.997 81 E CA 0.902 57.171 56.400 -0.219 0.000 0.801 81 E CB -0.082 29.518 29.700 -0.168 0.000 0.746 81 E HN 0.440 nan 8.360 nan 0.000 0.450 82 R N 0.003 120.420 120.500 -0.138 0.000 2.090 82 R HA -0.047 4.292 4.340 -0.002 0.000 0.228 82 R C 2.612 178.883 176.300 -0.049 0.000 1.110 82 R CA 0.984 57.038 56.100 -0.076 0.000 0.973 82 R CB -0.248 30.018 30.300 -0.056 0.000 0.869 82 R HN 0.269 nan 8.270 nan 0.000 0.440 83 L N 0.624 121.813 121.223 -0.056 0.000 2.093 83 L HA -0.188 4.151 4.340 -0.002 0.000 0.208 83 L C 2.705 179.581 176.870 0.011 0.000 1.085 83 L CA 1.173 56.020 54.840 0.013 0.000 0.755 83 L CB -0.407 41.698 42.059 0.076 0.000 0.904 83 L HN 0.155 nan 8.230 nan 0.000 0.435 84 Q N 0.940 120.723 119.800 -0.029 0.000 2.050 84 Q HA -0.216 4.123 4.340 -0.002 0.000 0.202 84 Q C 2.088 178.062 176.000 -0.044 0.000 0.980 84 Q CA 1.771 57.566 55.803 -0.013 0.000 0.840 84 Q CB -0.011 28.712 28.738 -0.024 0.000 0.898 84 Q HN 0.294 nan 8.270 nan 0.000 0.424 85 K N -0.802 119.570 120.400 -0.046 0.000 2.147 85 K HA -0.063 4.256 4.320 -0.002 0.000 0.205 85 K C 2.000 178.578 176.600 -0.037 0.000 1.049 85 K CA 0.983 57.243 56.287 -0.045 0.000 0.936 85 K CB -0.392 32.084 32.500 -0.040 0.000 0.722 85 K HN 0.417 nan 8.250 nan 0.000 0.446 86 G N 1.490 110.281 108.800 -0.015 0.000 2.421 86 G HA2 -0.224 3.735 3.960 -0.002 0.000 0.216 86 G HA3 -0.224 3.735 3.960 -0.002 0.000 0.216 86 G C 1.460 176.355 174.900 -0.008 0.000 1.171 86 G CA 0.543 45.651 45.100 0.014 0.000 0.775 86 G HN 0.096 nan 8.290 nan 0.000 0.543 87 L N 0.081 121.274 121.223 -0.051 0.000 2.093 87 L HA -0.036 4.303 4.340 -0.002 0.000 0.208 87 L C 2.879 179.597 176.870 -0.254 0.000 1.085 87 L CA 1.145 55.867 54.840 -0.196 0.000 0.755 87 L CB -0.444 41.399 42.059 -0.360 0.000 0.904 87 L HN 0.311 nan 8.230 nan 0.000 0.435 88 E N 0.007 120.101 120.200 -0.178 0.000 2.077 88 E HA -0.194 4.155 4.350 -0.002 0.000 0.193 88 E C 2.336 178.884 176.600 -0.087 0.000 0.989 88 E CA 0.871 57.185 56.400 -0.142 0.000 0.800 88 E CB -0.031 29.610 29.700 -0.099 0.000 0.746 88 E HN 0.419 nan 8.360 nan 0.000 0.452 89 R N 0.539 121.002 120.500 -0.061 0.000 2.096 89 R HA -0.078 4.261 4.340 -0.002 0.000 0.235 89 R C 2.442 178.721 176.300 -0.034 0.000 1.127 89 R CA 0.902 56.981 56.100 -0.035 0.000 0.968 89 R CB -0.232 30.056 30.300 -0.020 0.000 0.861 89 R HN 0.062 nan 8.270 nan 0.000 0.440 90 R N 0.725 121.195 120.500 -0.050 0.000 2.081 90 R HA -0.101 4.238 4.340 -0.002 0.000 0.235 90 R C 2.126 178.428 176.300 0.002 0.000 1.131 90 R CA 1.506 57.578 56.100 -0.046 0.000 0.960 90 R CB -0.194 30.056 30.300 -0.083 0.000 0.856 90 R HN 0.209 nan 8.270 nan 0.000 0.436 91 A N 0.860 123.678 122.820 -0.002 0.000 2.015 91 A HA -0.136 4.183 4.320 -0.002 0.000 0.219 91 A C 1.828 179.441 177.584 0.048 0.000 1.163 91 A CA 1.281 53.364 52.037 0.077 0.000 0.646 91 A CB -0.186 18.829 19.000 0.025 0.000 0.806 91 A HN 0.311 nan 8.150 nan 0.000 0.448 92 K N -0.049 120.358 120.400 0.011 0.000 2.167 92 K HA -0.101 4.218 4.320 -0.002 0.000 0.203 92 K C 1.859 178.467 176.600 0.013 0.000 1.052 92 K CA 1.472 57.766 56.287 0.011 0.000 0.956 92 K CB -0.047 32.451 32.500 -0.002 0.000 0.735 92 K HN 0.713 nan 8.250 nan 0.000 0.451 93 K N -0.351 120.053 120.400 0.007 0.000 2.323 93 K HA 0.145 4.464 4.320 -0.002 0.000 0.197 93 K C 0.788 177.390 176.600 0.003 0.000 1.043 93 K CA 0.309 56.597 56.287 0.002 0.000 0.997 93 K CB 0.272 32.767 32.500 -0.009 0.000 0.807 93 K HN -0.023 nan 8.250 nan 0.000 0.497 94 M N 1.303 120.908 119.600 0.008 0.000 2.598 94 M HA 0.215 4.694 4.480 -0.002 0.000 0.317 94 M C 0.585 176.904 176.300 0.031 0.000 1.201 94 M CA -0.464 54.837 55.300 0.002 0.000 0.971 94 M CB 1.906 34.487 32.600 -0.031 0.000 1.657 94 M HN -0.025 nan 8.290 nan 0.000 0.470 95 E N 1.011 121.224 120.200 0.023 0.000 2.110 95 E HA -0.104 4.245 4.350 -0.002 0.000 0.193 95 E C 0.238 176.863 176.600 0.040 0.000 0.988 95 E CA 0.909 57.348 56.400 0.065 0.000 0.804 95 E CB 0.208 29.934 29.700 0.043 0.000 0.745 95 E HN 0.435 nan 8.360 nan 0.000 0.458 96 N N -0.407 118.273 118.700 -0.034 0.000 2.519 96 N HA -0.021 4.718 4.740 -0.002 0.000 0.291 96 N C 0.135 175.580 175.510 -0.109 0.000 1.107 96 N CA -0.461 52.536 53.050 -0.088 0.000 0.904 96 N CB 0.664 39.048 38.487 -0.171 0.000 1.500 96 N HN 0.167 nan 8.380 nan 0.000 0.510 97 W N 4.161 125.404 121.300 -0.095 0.000 2.421 97 W HA -0.060 4.599 4.660 -0.002 0.000 0.270 97 W C 0.424 176.848 176.519 -0.159 0.000 1.233 97 W CA 0.291 57.541 57.345 -0.159 0.000 1.226 97 W CB -0.145 29.246 29.460 -0.115 0.000 1.121 97 W HN 0.440 nan 8.180 nan 0.000 0.579 98 L N 1.546 122.263 121.223 -0.843 0.000 2.357 98 L HA 0.110 4.449 4.340 -0.002 0.000 0.211 98 L C 2.631 179.397 176.870 -0.173 0.000 1.075 98 L CA 1.471 55.883 54.840 -0.713 0.000 0.830 98 L CB -0.627 40.657 42.059 -1.290 0.000 0.996 98 L HN -0.201 nan 8.230 nan 0.000 0.467 99 S N 0.311 115.905 115.700 -0.177 0.000 2.414 99 S HA -0.332 4.137 4.470 -0.002 0.000 0.238 99 S C 1.783 176.438 174.600 0.091 0.000 1.055 99 S CA 2.314 60.506 58.200 -0.014 0.000 1.174 99 S CB -0.445 62.715 63.200 -0.067 0.000 1.087 99 S HN 0.571 nan 8.310 nan 0.000 0.428 100 E N -0.548 119.669 120.200 0.028 0.000 2.058 100 E HA -0.180 4.169 4.350 -0.002 0.000 0.194 100 E C 2.032 178.763 176.600 0.219 0.000 0.997 100 E CA 1.262 57.707 56.400 0.074 0.000 0.801 100 E CB -0.175 29.521 29.700 -0.006 0.000 0.746 100 E HN 0.548 nan 8.360 nan 0.000 0.450 101 W N 0.775 122.121 121.300 0.078 0.000 2.335 101 W HA -0.213 4.446 4.660 -0.001 0.000 0.311 101 W C 2.115 178.696 176.519 0.104 0.000 1.213 101 W CA 0.521 57.922 57.345 0.093 0.000 1.274 101 W CB -1.259 28.285 29.460 0.139 0.000 1.148 101 W HN 0.350 nan 8.180 nan 0.000 0.498 102 W N 0.521 121.929 121.300 0.180 0.000 2.355 102 W HA -0.237 4.421 4.660 -0.002 0.000 0.309 102 W C 2.167 178.725 176.519 0.066 0.000 1.206 102 W CA 1.391 58.770 57.345 0.058 0.000 1.284 102 W CB -0.740 28.723 29.460 0.006 0.000 1.145 102 W HN -0.168 nan 8.180 nan 0.000 0.502 103 L N 2.191 123.448 121.223 0.056 0.000 2.042 103 L HA -0.227 4.112 4.340 -0.002 0.000 0.210 103 L C 2.528 179.384 176.870 -0.024 0.000 1.076 103 L CA 2.623 57.483 54.840 0.033 0.000 0.749 103 L CB -1.252 40.874 42.059 0.111 0.000 0.893 103 L HN -0.073 nan 8.230 nan 0.000 0.432 104 K N -1.217 119.190 120.400 0.010 0.000 2.001 104 K HA -0.168 4.151 4.320 -0.002 0.000 0.208 104 K C 2.025 178.572 176.600 -0.088 0.000 1.048 104 K CA 1.975 58.266 56.287 0.007 0.000 0.932 104 K CB -0.268 32.284 32.500 0.086 0.000 0.715 104 K HN 0.651 nan 8.250 nan 0.000 0.437 105 T N -1.880 112.580 114.554 -0.157 0.000 2.896 105 T HA 0.069 4.418 4.350 -0.002 0.000 0.263 105 T C 1.974 176.402 174.700 -0.454 0.000 1.050 105 T CA 0.826 62.784 62.100 -0.236 0.000 1.140 105 T CB -0.106 68.652 68.868 -0.184 0.000 0.877 105 T HN 0.216 nan 8.240 nan 0.000 0.457 106 A N -0.237 122.068 122.820 -0.860 0.000 1.970 106 A HA 0.295 4.614 4.320 -0.002 0.000 0.216 106 A C 1.734 178.602 177.584 -1.194 0.000 1.170 106 A CA 0.691 51.904 52.037 -1.375 0.000 0.645 106 A CB -0.423 17.025 19.000 -2.586 0.000 0.816 106 A HN 0.681 nan 8.150 nan 0.000 0.447 107 Y N -1.680 118.396 120.300 -0.372 0.000 2.921 107 Y HA 0.283 4.832 4.550 -0.002 0.000 0.246 107 Y C 1.958 177.839 175.900 -0.030 0.000 1.030 107 Y CA -0.252 57.756 58.100 -0.154 0.000 1.338 107 Y CB -0.118 38.253 38.460 -0.149 0.000 1.493 107 Y HN -0.011 nan 8.280 nan 0.000 0.452 108 L N 0.519 121.812 121.223 0.116 0.000 2.127 108 L HA -0.251 4.088 4.340 -0.002 0.000 0.211 108 L C 1.592 178.488 176.870 0.044 0.000 1.089 108 L CA 1.730 56.612 54.840 0.070 0.000 0.757 108 L CB -0.488 41.599 42.059 0.048 0.000 0.899 108 L HN 0.412 nan 8.230 nan 0.000 0.434 109 Q N -1.151 118.664 119.800 0.024 0.000 2.360 109 Q HA 0.045 4.384 4.340 -0.002 0.000 0.202 109 Q C -0.010 176.030 176.000 0.066 0.000 0.915 109 Q CA -0.271 55.543 55.803 0.019 0.000 0.943 109 Q CB 0.414 29.145 28.738 -0.011 0.000 1.064 109 Q HN 0.191 nan 8.270 nan 0.000 0.511 110 F N 1.568 121.451 119.950 -0.111 0.000 2.444 110 F HA 0.137 4.663 4.527 -0.002 0.000 0.360 110 F C 0.637 176.365 175.800 -0.119 0.000 1.106 110 F CA -0.443 57.483 58.000 -0.125 0.000 1.170 110 F CB 0.586 39.502 39.000 -0.140 0.000 1.113 110 F HN -0.170 nan 8.300 nan 0.000 0.521 111 R N 3.017 123.250 120.500 -0.444 0.000 2.334 111 R HA 0.121 4.460 4.340 -0.002 0.000 0.216 111 R C 0.448 176.115 176.300 -1.055 0.000 0.905 111 R CA 0.058 55.822 56.100 -0.560 0.000 1.064 111 R CB -0.338 29.806 30.300 -0.261 0.000 1.046 111 R HN 0.624 nan 8.270 nan 0.000 0.508 112 Q N 1.275 120.323 119.800 -1.253 0.000 2.454 112 Q HA 0.200 4.539 4.340 -0.002 0.000 0.247 112 Q C -2.148 173.507 176.000 -0.576 0.000 1.028 112 Q CA -1.763 53.458 55.803 -0.970 0.000 0.910 112 Q CB 0.072 28.167 28.738 -1.072 0.000 1.276 112 Q HN -0.044 nan 8.270 nan 0.000 0.489 113 P HA -0.089 nan 4.420 nan 0.000 0.267 113 P C 0.824 178.117 177.300 -0.012 0.000 1.200 113 P CA 0.164 63.216 63.100 -0.080 0.000 0.772 113 P CB 0.437 32.144 31.700 0.012 0.000 0.855 114 V N 0.863 120.740 119.914 -0.061 0.000 2.667 114 V HA -0.055 4.064 4.120 -0.002 0.000 0.252 114 V C 0.838 176.872 176.094 -0.100 0.000 1.065 114 V CA 0.885 63.185 62.300 0.000 0.000 1.083 114 V CB -0.848 30.989 31.823 0.024 0.000 0.692 114 V HN 0.149 nan 8.190 nan 0.000 0.468 115 V N 2.111 121.843 119.914 -0.303 0.000 2.529 115 V HA 0.228 4.347 4.120 -0.002 0.000 0.292 115 V C 1.346 177.165 176.094 -0.458 0.000 1.028 115 V CA 1.004 63.001 62.300 -0.507 0.000 1.074 115 V CB 0.149 31.490 31.823 -0.804 0.000 0.958 115 V HN 0.614 nan 8.190 nan 0.000 0.481 116 I N 1.660 122.037 120.570 -0.322 0.000 4.300 116 I HA -0.420 3.749 4.170 -0.002 0.000 0.079 116 I C 1.284 177.282 176.117 -0.199 0.000 0.562 116 I CA 1.894 62.999 61.300 -0.325 0.000 1.126 116 I CB -1.182 36.435 38.000 -0.637 0.000 1.002 116 I HN 0.660 nan 8.210 nan 0.000 0.174 117 Y N -0.359 120.027 120.300 0.143 0.000 2.523 117 Y HA 0.110 4.659 4.550 -0.002 0.000 0.279 117 Y C 2.239 178.293 175.900 0.256 0.000 1.139 117 Y CA 0.868 59.108 58.100 0.233 0.000 1.296 117 Y CB 0.334 38.930 38.460 0.228 0.000 1.045 117 Y HN 0.312 nan 8.280 nan 0.000 0.538 118 S N -1.603 114.258 115.700 0.270 0.000 3.448 118 S HA 0.119 4.588 4.470 -0.002 0.000 0.254 118 S C 0.444 175.117 174.600 0.121 0.000 1.102 118 S CA -0.221 58.117 58.200 0.230 0.000 0.797 118 S CB -0.386 63.009 63.200 0.324 0.000 0.891 118 S HN 0.052 nan 8.310 nan 0.000 0.474 119 S N 4.169 119.888 115.700 0.031 0.000 2.455 119 S HA 0.453 4.922 4.470 -0.002 0.000 0.278 119 S C -2.690 171.793 174.600 -0.195 0.000 1.216 119 S CA -0.637 57.494 58.200 -0.115 0.000 1.055 119 S CB 1.045 64.216 63.200 -0.048 0.000 0.939 119 S HN 0.373 nan 8.310 nan 0.000 0.494 120 P HA 0.327 nan 4.420 nan 0.000 0.275 120 P C 0.088 177.163 177.300 -0.374 0.000 1.228 120 P CA -0.215 62.666 63.100 -0.364 0.000 0.786 120 P CB 0.659 32.052 31.700 -0.513 0.000 0.927 121 G N 0.767 109.408 108.800 -0.263 0.000 2.417 121 G HA2 0.591 4.550 3.960 -0.002 0.000 0.334 121 G HA3 0.591 4.550 3.960 -0.002 0.000 0.334 121 G C -1.397 172.976 174.900 -0.879 0.000 1.150 121 G CA -0.542 44.379 45.100 -0.299 0.000 0.923 121 G HN 0.360 nan 8.290 nan 0.000 0.485 122 V N 1.742 121.367 119.914 -0.482 0.000 2.686 122 V HA 0.427 4.546 4.120 -0.002 0.000 0.306 122 V C -0.543 175.521 176.094 -0.050 0.000 1.065 122 V CA -0.697 61.360 62.300 -0.405 0.000 0.894 122 V CB 1.854 33.602 31.823 -0.124 0.000 1.004 122 V HN 0.763 nan 8.190 nan 0.000 0.424 123 I N 5.350 125.970 120.570 0.084 0.000 2.339 123 I HA 0.539 4.708 4.170 -0.002 0.000 0.290 123 I C -0.711 175.484 176.117 0.130 0.000 0.994 123 I CA -0.289 61.145 61.300 0.222 0.000 1.191 123 I CB 0.882 39.085 38.000 0.337 0.000 1.343 123 I HN 0.539 nan 8.210 nan 0.000 0.458 124 L N 7.895 129.190 121.223 0.120 0.000 2.376 124 L HA 0.582 4.921 4.340 -0.002 0.000 0.267 124 L C -2.193 174.723 176.870 0.076 0.000 1.035 124 L CA -2.052 52.850 54.840 0.103 0.000 0.800 124 L CB 0.606 42.747 42.059 0.137 0.000 1.290 124 L HN 0.430 nan 8.230 nan 0.000 0.462 125 P HA -0.006 nan 4.420 nan 0.000 0.264 125 P C -0.966 176.318 177.300 -0.026 0.000 1.193 125 P CA -0.046 63.070 63.100 0.026 0.000 0.763 125 P CB 0.358 32.075 31.700 0.027 0.000 0.810 126 K N 3.585 123.960 120.400 -0.041 0.000 2.401 126 K HA 0.020 4.339 4.320 -0.002 0.000 0.278 126 K C 0.256 176.736 176.600 -0.201 0.000 1.018 126 K CA -0.226 55.997 56.287 -0.108 0.000 0.981 126 K CB 0.355 32.820 32.500 -0.058 0.000 0.933 126 K HN 0.382 nan 8.250 nan 0.000 0.477 127 Q N 1.910 121.495 119.800 -0.358 0.000 2.249 127 Q HA 0.030 4.369 4.340 -0.002 0.000 0.226 127 Q C 0.206 175.965 176.000 -0.402 0.000 0.983 127 Q CA -0.139 55.412 55.803 -0.420 0.000 0.930 127 Q CB 1.082 29.437 28.738 -0.638 0.000 1.193 127 Q HN 0.790 nan 8.270 nan 0.000 0.508 128 D N -1.101 119.151 120.400 -0.247 0.000 2.328 128 D HA 0.015 4.654 4.640 -0.002 0.000 0.221 128 D C 0.307 176.534 176.300 -0.122 0.000 1.072 128 D CA -0.221 53.672 54.000 -0.178 0.000 0.850 128 D CB -0.551 40.199 40.800 -0.082 0.000 0.922 128 D HN 0.319 nan 8.370 nan 0.000 0.516 129 F N 0.442 120.343 119.950 -0.081 0.000 2.506 129 F HA 0.326 4.852 4.527 -0.001 0.000 0.351 129 F C 1.094 176.872 175.800 -0.037 0.000 1.136 129 F CA -1.138 56.834 58.000 -0.047 0.000 1.298 129 F CB 0.760 39.745 39.000 -0.025 0.000 1.145 129 F HN -0.157 nan 8.300 nan 0.000 0.593 130 V N -1.727 118.317 119.914 0.216 0.000 3.432 130 V HA 0.364 4.483 4.120 -0.002 0.000 0.298 130 V C -0.923 175.258 176.094 0.145 0.000 1.464 130 V CA 0.341 62.710 62.300 0.115 0.000 1.046 130 V CB -0.933 30.911 31.823 0.036 0.000 0.887 130 V HN 0.935 nan 8.190 nan 0.000 0.441 131 D N -1.350 119.163 120.400 0.188 0.000 2.626 131 D HA 0.316 4.955 4.640 -0.002 0.000 0.278 131 D C 0.588 176.896 176.300 0.013 0.000 1.211 131 D CA -0.371 53.681 54.000 0.086 0.000 0.903 131 D CB 1.526 42.340 40.800 0.024 0.000 1.408 131 D HN -0.072 nan 8.370 nan 0.000 0.454 132 L N 0.012 121.180 121.223 -0.090 0.000 2.043 132 L HA -0.167 4.172 4.340 -0.002 0.000 0.212 132 L C 2.248 178.953 176.870 -0.275 0.000 1.075 132 L CA 2.084 56.773 54.840 -0.253 0.000 0.752 132 L CB -0.624 41.161 42.059 -0.457 0.000 0.891 132 L HN 0.664 nan 8.230 nan 0.000 0.432 133 Q N -0.795 118.899 119.800 -0.177 0.000 2.030 133 Q HA -0.204 4.135 4.340 -0.002 0.000 0.204 133 Q C 2.071 178.028 176.000 -0.073 0.000 0.986 133 Q CA 1.887 57.660 55.803 -0.051 0.000 0.843 133 Q CB -0.568 28.149 28.738 -0.033 0.000 0.904 133 Q HN 0.679 nan 8.270 nan 0.000 0.420 134 G N 0.338 109.075 108.800 -0.106 0.000 2.422 134 G HA2 -0.330 3.629 3.960 -0.002 0.000 0.218 134 G HA3 -0.330 3.629 3.960 -0.002 0.000 0.218 134 G C 1.219 175.831 174.900 -0.481 0.000 1.146 134 G CA 0.859 45.889 45.100 -0.117 0.000 0.769 134 G HN 0.449 nan 8.290 nan 0.000 0.547 135 Q N -0.307 119.013 119.800 -0.800 0.000 2.084 135 Q HA 0.007 4.346 4.340 -0.002 0.000 0.202 135 Q C 2.564 178.285 176.000 -0.465 0.000 0.978 135 Q CA 0.917 56.006 55.803 -1.190 0.000 0.844 135 Q CB -0.193 28.127 28.738 -0.698 0.000 0.898 135 Q HN 0.509 nan 8.270 nan 0.000 0.426 136 L N 0.077 121.155 121.223 -0.242 0.000 2.093 136 L HA -0.156 4.184 4.340 -0.002 0.000 0.208 136 L C 2.697 179.635 176.870 0.114 0.000 1.085 136 L CA 0.697 55.503 54.840 -0.058 0.000 0.755 136 L CB -0.432 41.593 42.059 -0.057 0.000 0.904 136 L HN 0.165 nan 8.230 nan 0.000 0.435 137 R N -0.264 120.291 120.500 0.092 0.000 2.073 137 R HA -0.179 4.160 4.340 -0.002 0.000 0.234 137 R C 2.204 178.518 176.300 0.024 0.000 1.134 137 R CA 1.535 57.639 56.100 0.008 0.000 0.952 137 R CB -0.979 29.236 30.300 -0.141 0.000 0.850 137 R HN 0.252 nan 8.270 nan 0.000 0.433 138 F N 1.469 121.354 119.950 -0.108 0.000 2.102 138 F HA -0.125 4.401 4.527 -0.002 0.000 0.298 138 F C 2.285 178.076 175.800 -0.015 0.000 1.105 138 F CA 1.248 59.229 58.000 -0.032 0.000 1.239 138 F CB -0.621 38.393 39.000 0.024 0.000 0.991 138 F HN 0.040 nan 8.300 nan 0.000 0.474 139 A N 0.583 123.318 122.820 -0.142 0.000 1.917 139 A HA -0.176 4.143 4.320 -0.002 0.000 0.219 139 A C 2.447 179.922 177.584 -0.182 0.000 1.182 139 A CA 2.276 54.209 52.037 -0.172 0.000 0.633 139 A CB -1.666 17.307 19.000 -0.045 0.000 0.819 139 A HN 0.553 nan 8.150 nan 0.000 0.448 140 A N -0.676 122.088 122.820 -0.093 0.000 1.902 140 A HA -0.153 4.166 4.320 -0.002 0.000 0.217 140 A C 2.154 179.678 177.584 -0.100 0.000 1.181 140 A CA 1.771 53.780 52.037 -0.047 0.000 0.623 140 A CB -0.372 18.667 19.000 0.064 0.000 0.818 140 A HN 0.406 nan 8.150 nan 0.000 0.443 141 K N -0.553 119.757 120.400 -0.150 0.000 2.026 141 K HA -0.095 4.224 4.320 -0.002 0.000 0.208 141 K C 2.037 178.501 176.600 -0.226 0.000 1.048 141 K CA 1.351 57.562 56.287 -0.127 0.000 0.929 141 K CB -0.709 31.731 32.500 -0.100 0.000 0.713 141 K HN 0.562 nan 8.250 nan 0.000 0.439 142 L N 1.253 122.186 121.223 -0.484 0.000 1.989 142 L HA -0.199 4.140 4.340 -0.002 0.000 0.211 142 L C 2.300 178.931 176.870 -0.398 0.000 1.071 142 L CA 1.325 55.855 54.840 -0.517 0.000 0.749 142 L CB -0.259 41.395 42.059 -0.675 0.000 0.890 142 L HN 0.091 nan 8.230 nan 0.000 0.431 143 I N -0.056 120.364 120.570 -0.251 0.000 2.151 143 I HA -0.364 3.805 4.170 -0.002 0.000 0.243 143 I C 2.579 178.627 176.117 -0.115 0.000 1.080 143 I CA 1.958 63.219 61.300 -0.066 0.000 1.339 143 I CB -0.450 37.563 38.000 0.021 0.000 1.039 143 I HN 0.461 nan 8.210 nan 0.000 0.409 144 E N 0.999 121.109 120.200 -0.151 0.000 2.110 144 E HA -0.186 4.163 4.350 -0.002 0.000 0.193 144 E C 2.275 178.602 176.600 -0.455 0.000 0.988 144 E CA 1.291 57.581 56.400 -0.184 0.000 0.804 144 E CB -0.199 29.482 29.700 -0.033 0.000 0.745 144 E HN 0.517 nan 8.360 nan 0.000 0.458 145 G N 0.433 108.927 108.800 -0.510 0.000 2.418 145 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.217 145 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.217 145 G C 1.639 176.294 174.900 -0.408 0.000 1.158 145 G CA 0.890 45.568 45.100 -0.703 0.000 0.771 145 G HN 0.231 nan 8.290 nan 0.000 0.545 146 V N 1.033 120.709 119.914 -0.397 0.000 2.343 146 V HA -0.103 4.016 4.120 -0.002 0.000 0.247 146 V C 2.893 178.920 176.094 -0.111 0.000 1.051 146 V CA 1.305 63.387 62.300 -0.363 0.000 1.036 146 V CB -0.408 30.928 31.823 -0.812 0.000 0.654 146 V HN 0.338 nan 8.190 nan 0.000 0.451 147 L N 0.031 121.202 121.223 -0.086 0.000 2.131 147 L HA -0.201 4.138 4.340 -0.002 0.000 0.210 147 L C 2.323 179.175 176.870 -0.030 0.000 1.092 147 L CA 1.956 56.791 54.840 -0.008 0.000 0.759 147 L CB -0.645 41.363 42.059 -0.086 0.000 0.903 147 L HN 0.411 nan 8.230 nan 0.000 0.435 148 D N -0.011 120.302 120.400 -0.144 0.000 2.117 148 D HA -0.259 4.380 4.640 -0.002 0.000 0.197 148 D C 2.046 178.310 176.300 -0.060 0.000 0.987 148 D CA 1.113 55.057 54.000 -0.093 0.000 0.829 148 D CB -0.045 40.605 40.800 -0.249 0.000 0.961 148 D HN 0.228 nan 8.370 nan 0.000 0.460 149 F N 0.996 120.763 119.950 -0.305 0.000 2.171 149 F HA -0.074 4.452 4.527 -0.001 0.000 0.300 149 F C 2.193 177.835 175.800 -0.263 0.000 1.090 149 F CA 1.350 59.054 58.000 -0.494 0.000 1.293 149 F CB -0.064 38.644 39.000 -0.486 0.000 1.013 149 F HN -0.157 nan 8.300 nan 0.000 0.486 150 K N 0.416 120.788 120.400 -0.047 0.000 2.057 150 K HA -0.205 4.114 4.320 -0.002 0.000 0.207 150 K C 2.264 178.795 176.600 -0.115 0.000 1.049 150 K CA 1.775 58.027 56.287 -0.058 0.000 0.931 150 K CB -0.383 32.181 32.500 0.107 0.000 0.714 150 K HN 0.410 nan 8.250 nan 0.000 0.440 151 S N 0.725 116.385 115.700 -0.066 0.000 2.387 151 S HA -0.211 4.258 4.470 -0.002 0.000 0.230 151 S C 2.018 176.539 174.600 -0.131 0.000 1.035 151 S CA 1.567 59.735 58.200 -0.054 0.000 1.014 151 S CB -0.405 62.793 63.200 -0.004 0.000 0.836 151 S HN 0.343 nan 8.310 nan 0.000 0.466 152 M N 0.562 120.016 119.600 -0.243 0.000 2.229 152 M HA 0.104 4.583 4.480 -0.002 0.000 0.264 152 M C 2.138 178.247 176.300 -0.319 0.000 1.063 152 M CA 1.275 56.398 55.300 -0.296 0.000 1.114 152 M CB -0.519 31.821 32.600 -0.434 0.000 1.387 152 M HN 0.343 nan 8.290 nan 0.000 0.420 153 I N -0.117 120.208 120.570 -0.408 0.000 2.333 153 I HA -0.247 3.922 4.170 -0.002 0.000 0.246 153 I C 1.844 177.884 176.117 -0.128 0.000 1.106 153 I CA 0.915 61.959 61.300 -0.428 0.000 1.411 153 I CB -0.458 37.203 38.000 -0.565 0.000 1.082 153 I HN 0.221 nan 8.210 nan 0.000 0.420 154 D N 1.109 121.458 120.400 -0.085 0.000 2.097 154 D HA -0.146 4.493 4.640 -0.002 0.000 0.195 154 D C 1.573 177.884 176.300 0.019 0.000 0.989 154 D CA 1.231 55.232 54.000 0.001 0.000 0.827 154 D CB -0.376 40.410 40.800 -0.023 0.000 0.966 154 D HN 0.322 nan 8.370 nan 0.000 0.456 155 N N 0.999 119.685 118.700 -0.023 0.000 2.398 155 N HA -0.047 4.692 4.740 -0.002 0.000 0.188 155 N C -0.234 175.265 175.510 -0.018 0.000 1.122 155 N CA 0.156 53.193 53.050 -0.021 0.000 0.866 155 N CB 0.400 38.862 38.487 -0.041 0.000 0.970 155 N HN 0.333 nan 8.380 nan 0.000 0.462 156 E N -0.760 119.449 120.200 0.014 0.000 2.586 156 E HA -0.193 4.156 4.350 -0.002 0.000 0.259 156 E C 0.202 176.757 176.600 -0.075 0.000 1.107 156 E CA 0.927 57.348 56.400 0.035 0.000 0.754 156 E CB -1.895 27.832 29.700 0.045 0.000 1.335 156 E HN 0.515 nan 8.360 nan 0.000 0.411 157 T N -2.391 112.094 114.554 -0.115 0.000 3.086 157 T HA 0.210 4.559 4.350 -0.002 0.000 0.250 157 T C 0.664 175.257 174.700 -0.177 0.000 1.074 157 T CA -0.393 61.623 62.100 -0.141 0.000 0.988 157 T CB 0.185 68.987 68.868 -0.111 0.000 0.988 157 T HN 0.157 nan 8.240 nan 0.000 0.530 158 L N 3.541 124.625 121.223 -0.232 0.000 2.559 158 L HA 0.314 4.653 4.340 -0.002 0.000 0.274 158 L C -2.519 174.196 176.870 -0.258 0.000 1.205 158 L CA -1.769 52.878 54.840 -0.323 0.000 0.907 158 L CB -0.127 41.633 42.059 -0.498 0.000 1.153 158 L HN -0.054 nan 8.230 nan 0.000 0.490 159 P HA -0.013 nan 4.420 nan 0.000 0.260 159 P C -0.494 176.685 177.300 -0.201 0.000 1.185 159 P CA -0.083 62.928 63.100 -0.148 0.000 0.763 159 P CB 0.434 32.089 31.700 -0.074 0.000 0.776 160 V N 4.337 124.114 119.914 -0.227 0.000 2.872 160 V HA -0.047 4.072 4.120 -0.002 0.000 0.307 160 V C 0.799 176.685 176.094 -0.348 0.000 1.072 160 V CA 0.649 62.683 62.300 -0.443 0.000 1.148 160 V CB 0.235 31.689 31.823 -0.615 0.000 0.954 160 V HN 0.560 nan 8.190 nan 0.000 0.490 161 E N 3.527 123.468 120.200 -0.432 0.000 2.221 161 E HA 0.622 4.971 4.350 -0.002 0.000 0.268 161 E C -1.501 174.860 176.600 -0.399 0.000 0.933 161 E CA -0.386 55.890 56.400 -0.206 0.000 0.809 161 E CB 2.196 31.878 29.700 -0.029 0.000 1.190 161 E HN 0.478 nan 8.360 nan 0.000 0.406 162 F N 0.552 120.554 119.950 0.087 0.000 2.650 162 F HA 0.570 5.096 4.527 -0.002 0.000 0.320 162 F C -1.017 174.815 175.800 0.054 0.000 1.091 162 F CA -1.106 56.946 58.000 0.086 0.000 0.962 162 F CB 1.474 40.518 39.000 0.073 0.000 1.363 162 F HN 0.214 nan 8.300 nan 0.000 0.482 163 L N 0.787 122.163 121.223 0.255 0.000 2.516 163 L HA 0.641 4.980 4.340 -0.002 0.000 0.267 163 L C 0.177 177.114 176.870 0.111 0.000 0.957 163 L CA -0.117 54.806 54.840 0.138 0.000 0.860 163 L CB 1.630 43.736 42.059 0.079 0.000 1.265 163 L HN 0.812 nan 8.230 nan 0.000 0.403 164 G N 3.101 111.948 108.800 0.080 0.000 2.269 164 G HA2 0.007 3.966 3.960 -0.002 0.000 0.277 164 G HA3 0.007 3.966 3.960 -0.002 0.000 0.277 164 G C 1.138 176.065 174.900 0.044 0.000 1.008 164 G CA 1.120 46.250 45.100 0.050 0.000 0.774 164 G HN 2.294 nan 8.290 nan 0.000 0.511 165 G N -2.650 106.187 108.800 0.061 0.000 2.175 165 G HA2 -0.186 3.773 3.960 -0.002 0.000 0.244 165 G HA3 -0.186 3.773 3.960 -0.002 0.000 0.244 165 G C 0.149 175.117 174.900 0.114 0.000 0.982 165 G CA 0.858 45.966 45.100 0.014 0.000 0.641 165 G HN 1.064 nan 8.290 nan 0.000 0.527 166 Q N 0.520 120.434 119.800 0.190 0.000 2.282 166 Q HA 0.505 4.844 4.340 -0.002 0.000 0.260 166 Q C -2.594 173.582 176.000 0.294 0.000 0.964 166 Q CA -2.064 53.851 55.803 0.186 0.000 0.880 166 Q CB 1.922 30.679 28.738 0.032 0.000 1.286 166 Q HN 0.205 nan 8.270 nan 0.000 0.445 167 P HA 0.150 nan 4.420 nan 0.000 0.271 167 P C -0.585 176.616 177.300 -0.165 0.000 1.218 167 P CA 0.046 63.031 63.100 -0.193 0.000 0.780 167 P CB 0.561 31.974 31.700 -0.479 0.000 0.901 168 L N 2.239 123.411 121.223 -0.085 0.000 2.329 168 L HA 0.382 4.721 4.340 -0.002 0.000 0.279 168 L C 0.507 177.447 176.870 0.117 0.000 1.014 168 L CA -1.071 53.771 54.840 0.004 0.000 0.814 168 L CB 1.775 43.850 42.059 0.026 0.000 1.257 168 L HN 0.468 nan 8.230 nan 0.000 0.424 169 C N 4.657 124.010 119.300 0.089 0.000 2.611 169 C HA 0.061 4.520 4.460 -0.002 0.000 0.416 169 C C 1.516 176.633 174.990 0.212 0.000 1.366 169 C CA -0.264 58.848 59.018 0.158 0.000 1.761 169 C CB 0.020 27.849 27.740 0.149 0.000 2.619 169 C HN 0.791 nan 8.230 nan 0.000 0.606 170 M N 4.823 124.578 119.600 0.259 0.000 2.371 170 M HA 0.077 4.556 4.480 -0.002 0.000 0.246 170 M C 1.610 178.176 176.300 0.444 0.000 1.103 170 M CA 0.386 55.905 55.300 0.365 0.000 1.010 170 M CB -1.759 30.998 32.600 0.261 0.000 1.457 170 M HN 0.890 nan 8.290 nan 0.000 0.486 171 N N 1.415 120.284 118.700 0.282 0.000 2.137 171 N HA -0.201 4.538 4.740 -0.002 0.000 0.190 171 N C 1.581 177.251 175.510 0.266 0.000 1.017 171 N CA 1.652 54.850 53.050 0.246 0.000 0.859 171 N CB 0.087 38.643 38.487 0.114 0.000 1.002 171 N HN 0.433 nan 8.380 nan 0.000 0.428 172 Q N -1.368 118.524 119.800 0.153 0.000 2.181 172 Q HA -0.195 4.144 4.340 -0.002 0.000 0.205 172 Q C 1.354 177.342 176.000 -0.020 0.000 0.980 172 Q CA 1.460 57.270 55.803 0.012 0.000 0.862 172 Q CB -0.217 28.445 28.738 -0.128 0.000 0.905 172 Q HN 0.616 nan 8.270 nan 0.000 0.429 173 Y N -1.512 118.845 120.300 0.095 0.000 2.333 173 Y HA -0.191 4.358 4.550 -0.001 0.000 0.290 173 Y C 0.911 176.693 175.900 -0.198 0.000 1.144 173 Y CA 0.861 58.927 58.100 -0.058 0.000 1.228 173 Y CB 0.062 38.415 38.460 -0.179 0.000 0.985 173 Y HN 0.169 nan 8.280 nan 0.000 0.542 174 Y N -0.406 119.988 120.300 0.157 0.000 2.537 174 Y HA 0.090 4.639 4.550 -0.002 0.000 0.303 174 Y C 1.139 177.078 175.900 0.065 0.000 1.176 174 Y CA -0.263 57.895 58.100 0.098 0.000 1.273 174 Y CB -0.010 38.496 38.460 0.076 0.000 1.110 174 Y HN 0.149 nan 8.280 nan 0.000 0.518 175 Q N -0.585 119.294 119.800 0.131 0.000 2.179 175 Q HA 0.219 4.558 4.340 -0.002 0.000 0.244 175 Q C 1.832 177.865 176.000 0.055 0.000 0.808 175 Q CA 0.338 56.191 55.803 0.084 0.000 0.955 175 Q CB 0.574 29.347 28.738 0.059 0.000 1.141 175 Q HN 0.710 nan 8.270 nan 0.000 0.485 176 I N -2.945 117.651 120.570 0.044 0.000 2.852 176 I HA 0.144 4.313 4.170 -0.002 0.000 0.264 176 I C 0.606 176.781 176.117 0.097 0.000 1.179 176 I CA 0.266 61.589 61.300 0.038 0.000 1.480 176 I CB 0.147 38.137 38.000 -0.016 0.000 1.111 176 I HN -0.135 nan 8.210 nan 0.000 0.441 177 L N 1.603 122.901 121.223 0.124 0.000 2.379 177 L HA 0.341 4.680 4.340 -0.002 0.000 0.269 177 L C 0.759 177.736 176.870 0.179 0.000 1.084 177 L CA -0.644 54.305 54.840 0.182 0.000 0.802 177 L CB 1.354 43.524 42.059 0.184 0.000 1.175 177 L HN 0.195 nan 8.230 nan 0.000 0.448 178 S N 0.382 116.203 115.700 0.201 0.000 3.549 178 S HA -0.164 4.305 4.470 -0.002 0.000 0.366 178 S C -0.006 174.765 174.600 0.284 0.000 1.012 178 S CA 0.889 59.216 58.200 0.213 0.000 1.141 178 S CB -1.456 61.871 63.200 0.211 0.000 0.910 178 S HN 0.875 nan 8.310 nan 0.000 0.471 179 S N -1.478 114.357 115.700 0.225 0.000 2.667 179 S HA 0.900 5.369 4.470 -0.002 0.000 0.292 179 S C -0.462 174.261 174.600 0.204 0.000 1.126 179 S CA -0.362 57.949 58.200 0.184 0.000 0.881 179 S CB 2.629 65.888 63.200 0.098 0.000 1.132 179 S HN 0.946 nan 8.310 nan 0.000 0.492 180 C N 0.595 120.003 119.300 0.179 0.000 3.302 180 C HA 0.681 5.140 4.460 -0.002 0.000 0.347 180 C C -0.866 174.218 174.990 0.157 0.000 1.218 180 C CA -0.508 58.636 59.018 0.210 0.000 1.234 180 C CB 1.471 29.381 27.740 0.283 0.000 1.551 180 C HN 1.228 nan 8.230 nan 0.000 0.501 181 R N 2.512 123.111 120.500 0.165 0.000 2.404 181 R HA 0.777 5.116 4.340 -0.002 0.000 0.291 181 R C -1.368 174.988 176.300 0.094 0.000 1.025 181 R CA -0.207 55.958 56.100 0.109 0.000 0.991 181 R CB 1.048 31.411 30.300 0.105 0.000 1.053 181 R HN 0.614 nan 8.270 nan 0.000 0.479 182 V N 6.235 126.156 119.914 0.011 0.000 2.444 182 V HA 0.363 4.482 4.120 -0.002 0.000 0.294 182 V C -2.251 173.716 176.094 -0.211 0.000 1.022 182 V CA -2.300 59.934 62.300 -0.110 0.000 0.850 182 V CB 1.633 33.432 31.823 -0.039 0.000 0.992 182 V HN 0.854 nan 8.190 nan 0.000 0.426 183 P HA 0.342 nan 4.420 nan 0.000 0.268 183 P C 0.063 177.208 177.300 -0.258 0.000 1.205 183 P CA 0.352 63.198 63.100 -0.424 0.000 0.771 183 P CB 0.724 31.895 31.700 -0.882 0.000 0.858 184 G N 2.591 111.309 108.800 -0.136 0.000 2.612 184 G HA2 0.445 4.404 3.960 -0.002 0.000 0.298 184 G HA3 0.445 4.404 3.960 -0.002 0.000 0.298 184 G C -2.161 172.713 174.900 -0.043 0.000 1.336 184 G CA -1.432 43.631 45.100 -0.062 0.000 0.953 184 G HN 0.170 nan 8.290 nan 0.000 0.482 185 P HA -0.152 nan 4.420 nan 0.000 0.216 185 P C 1.116 178.415 177.300 -0.002 0.000 1.150 185 P CA 1.307 64.402 63.100 -0.009 0.000 0.837 185 P CB 0.605 32.304 31.700 -0.002 0.000 0.786 186 K N -0.549 119.850 120.400 -0.001 0.000 2.240 186 K HA 0.039 4.358 4.320 -0.002 0.000 0.202 186 K C 1.170 177.770 176.600 0.000 0.000 1.053 186 K CA 0.292 56.581 56.287 0.003 0.000 0.973 186 K CB 0.519 33.022 32.500 0.006 0.000 0.924 186 K HN 0.210 nan 8.250 nan 0.000 0.477 187 Q N 0.440 120.239 119.800 -0.001 0.000 2.416 187 Q HA 0.300 4.639 4.340 -0.002 0.000 0.281 187 Q C -1.544 174.452 176.000 -0.006 0.000 1.067 187 Q CA -1.080 54.723 55.803 0.000 0.000 0.809 187 Q CB 1.978 30.722 28.738 0.011 0.000 1.418 187 Q HN -0.136 nan 8.270 nan 0.000 0.411 188 D N 0.992 121.390 120.400 -0.003 0.000 2.478 188 D HA 0.556 5.195 4.640 -0.002 0.000 0.269 188 D C -0.280 176.022 176.300 0.003 0.000 1.232 188 D CA -0.048 53.945 54.000 -0.013 0.000 1.059 188 D CB 1.397 42.195 40.800 -0.004 0.000 1.104 188 D HN 0.689 nan 8.370 nan 0.000 0.566 189 S N -1.644 114.056 115.700 -0.000 0.000 2.671 189 S HA 0.725 5.194 4.470 -0.002 0.000 0.277 189 S C -1.209 173.397 174.600 0.011 0.000 1.165 189 S CA -0.797 57.408 58.200 0.008 0.000 0.822 189 S CB 1.254 64.457 63.200 0.005 0.000 1.150 189 S HN 0.149 nan 8.310 nan 0.000 0.479 190 V N 1.281 121.197 119.914 0.004 0.000 2.656 190 V HA 0.742 4.861 4.120 -0.002 0.000 0.307 190 V C -0.542 175.525 176.094 -0.045 0.000 1.051 190 V CA -0.536 61.764 62.300 0.000 0.000 0.893 190 V CB 1.785 33.610 31.823 0.003 0.000 0.999 190 V HN 1.130 nan 8.190 nan 0.000 0.426 191 V N 1.696 121.568 119.914 -0.070 0.000 2.628 191 V HA 0.702 4.821 4.120 -0.002 0.000 0.306 191 V C -0.518 175.371 176.094 -0.342 0.000 1.045 191 V CA -0.650 61.493 62.300 -0.262 0.000 0.905 191 V CB 1.737 33.397 31.823 -0.272 0.000 0.997 191 V HN 0.962 nan 8.190 nan 0.000 0.436 192 N N 2.035 120.418 118.700 -0.529 0.000 2.500 192 N HA 0.520 5.259 4.740 -0.002 0.000 0.291 192 N C -0.936 174.320 175.510 -0.422 0.000 1.092 192 N CA -0.633 52.231 53.050 -0.311 0.000 0.890 192 N CB 1.573 39.995 38.487 -0.108 0.000 1.466 192 N HN 0.653 nan 8.380 nan 0.000 0.507 193 F N 2.798 122.788 119.950 0.066 0.000 2.653 193 F HA 0.216 4.742 4.527 -0.002 0.000 0.304 193 F C 1.682 177.518 175.800 0.060 0.000 1.092 193 F CA -0.494 57.541 58.000 0.060 0.000 1.279 193 F CB 0.225 39.259 39.000 0.057 0.000 1.044 193 F HN 0.446 nan 8.300 nan 0.000 0.564 194 L N 1.022 122.361 121.223 0.193 0.000 2.051 194 L HA -0.197 4.142 4.340 -0.002 0.000 0.214 194 L C 1.186 178.136 176.870 0.134 0.000 1.076 194 L CA 2.125 57.059 54.840 0.158 0.000 0.758 194 L CB -0.311 41.837 42.059 0.148 0.000 0.890 194 L HN 0.031 nan 8.230 nan 0.000 0.433 195 K N -0.647 119.824 120.400 0.119 0.000 2.896 195 K HA 0.225 4.544 4.320 -0.002 0.000 0.210 195 K C 0.281 176.932 176.600 0.084 0.000 1.116 195 K CA 0.188 56.530 56.287 0.092 0.000 1.050 195 K CB 0.399 32.948 32.500 0.081 0.000 0.812 195 K HN 0.390 nan 8.250 nan 0.000 0.462 196 S N -0.357 115.414 115.700 0.118 0.000 2.661 196 S HA 0.247 4.716 4.470 -0.002 0.000 0.265 196 S C 1.345 175.999 174.600 0.091 0.000 1.225 196 S CA -0.724 57.550 58.200 0.123 0.000 0.986 196 S CB 1.309 64.642 63.200 0.222 0.000 1.008 196 S HN -0.024 nan 8.310 nan 0.000 0.565 197 K N 1.208 121.656 120.400 0.081 0.000 2.034 197 K HA -0.159 4.160 4.320 -0.002 0.000 0.214 197 K C 0.868 177.497 176.600 0.048 0.000 1.051 197 K CA 1.686 58.007 56.287 0.056 0.000 0.931 197 K CB -0.442 32.088 32.500 0.051 0.000 0.715 197 K HN 0.839 nan 8.250 nan 0.000 0.446 198 R N 1.131 121.665 120.500 0.056 0.000 2.477 198 R HA 0.368 4.707 4.340 -0.002 0.000 0.285 198 R C -2.788 173.544 176.300 0.054 0.000 1.415 198 R CA -1.733 54.391 56.100 0.040 0.000 1.446 198 R CB 0.461 30.777 30.300 0.026 0.000 1.110 198 R HN -0.167 nan 8.270 nan 0.000 0.590 199 P HA 0.042 nan 4.420 nan 0.000 0.264 199 P C -2.298 175.038 177.300 0.060 0.000 1.183 199 P CA -0.593 62.553 63.100 0.076 0.000 0.763 199 P CB 0.131 31.861 31.700 0.051 0.000 0.807 200 P HA 0.013 nan 4.420 nan 0.000 0.266 200 P C 0.517 177.873 177.300 0.093 0.000 1.195 200 P CA 0.346 63.485 63.100 0.065 0.000 0.768 200 P CB 0.260 31.929 31.700 -0.050 0.000 0.838 201 T N -2.201 112.459 114.554 0.176 0.000 3.145 201 T HA 0.207 4.556 4.350 -0.002 0.000 0.281 201 T C 0.154 174.987 174.700 0.222 0.000 1.003 201 T CA -0.342 61.933 62.100 0.292 0.000 0.901 201 T CB -0.848 68.182 68.868 0.269 0.000 1.112 201 T HN 0.613 nan 8.240 nan 0.000 0.535 202 H N 0.257 119.334 119.070 0.012 0.000 2.731 202 H HA 0.814 5.369 4.556 -0.002 0.000 0.368 202 H C -0.353 174.883 175.328 -0.154 0.000 1.168 202 H CA -1.515 54.486 56.048 -0.078 0.000 1.181 202 H CB 1.420 31.143 29.762 -0.066 0.000 1.743 202 H HN 0.331 nan 8.280 nan 0.000 0.547 203 I N -0.890 119.514 120.570 -0.276 0.000 3.237 203 I HA 0.718 4.887 4.170 -0.002 0.000 0.308 203 I C -0.773 175.285 176.117 -0.099 0.000 1.093 203 I CA -1.142 59.901 61.300 -0.428 0.000 1.001 203 I CB 2.574 40.129 38.000 -0.743 0.000 1.245 203 I HN 0.805 nan 8.210 nan 0.000 0.485 204 T N 0.347 114.872 114.554 -0.047 0.000 2.856 204 T HA 0.745 5.094 4.350 -0.002 0.000 0.283 204 T C -0.554 174.231 174.700 0.141 0.000 1.008 204 T CA -0.699 61.482 62.100 0.134 0.000 0.997 204 T CB 1.784 70.787 68.868 0.224 0.000 0.992 204 T HN 0.479 nan 8.240 nan 0.000 0.454 205 V N 2.352 122.379 119.914 0.188 0.000 2.604 205 V HA 0.731 4.850 4.120 -0.002 0.000 0.305 205 V C -0.546 175.647 176.094 0.164 0.000 1.043 205 V CA -0.880 61.510 62.300 0.150 0.000 0.888 205 V CB 1.841 33.720 31.823 0.093 0.000 0.995 205 V HN 0.869 nan 8.190 nan 0.000 0.429 206 V N 4.629 124.564 119.914 0.035 0.000 2.483 206 V HA 0.699 4.819 4.120 -0.002 0.000 0.297 206 V C -1.335 174.797 176.094 0.064 0.000 1.027 206 V CA -0.208 61.997 62.300 -0.158 0.000 0.855 206 V CB 1.685 33.070 31.823 -0.730 0.000 0.995 206 V HN 1.061 nan 8.190 nan 0.000 0.424 207 H N 5.969 125.063 119.070 0.041 0.000 2.759 207 H HA 0.500 5.055 4.556 -0.002 0.000 0.354 207 H C 0.340 175.697 175.328 0.049 0.000 1.074 207 H CA -0.242 55.844 56.048 0.063 0.000 1.226 207 H CB 1.152 30.959 29.762 0.076 0.000 1.648 207 H HN 0.729 nan 8.280 nan 0.000 0.529 208 N N 4.505 122.867 118.700 -0.565 0.000 2.735 208 N HA -0.258 4.481 4.740 -0.002 0.000 0.248 208 N C -0.524 174.761 175.510 -0.375 0.000 1.083 208 N CA 1.645 54.319 53.050 -0.628 0.000 0.703 208 N CB -1.625 36.487 38.487 -0.624 0.000 1.005 208 N HN 0.958 nan 8.380 nan 0.000 0.550 209 Y N -4.074 116.187 120.300 -0.064 0.000 4.929 209 Y HA -0.373 4.176 4.550 -0.002 0.000 0.253 209 Y C 0.438 176.374 175.900 0.061 0.000 0.946 209 Y CA 0.470 58.571 58.100 0.002 0.000 1.905 209 Y CB -1.605 36.889 38.460 0.057 0.000 1.400 209 Y HN 0.319 nan 8.280 nan 0.000 0.531 210 Q N 0.666 120.560 119.800 0.156 0.000 2.307 210 Q HA 0.525 4.864 4.340 -0.002 0.000 0.262 210 Q C -0.792 175.270 176.000 0.103 0.000 0.961 210 Q CA -0.680 55.234 55.803 0.186 0.000 0.882 210 Q CB 1.091 29.942 28.738 0.188 0.000 1.264 210 Q HN 0.112 nan 8.270 nan 0.000 0.446 211 F N 2.010 121.990 119.950 0.051 0.000 2.385 211 F HA 0.489 5.014 4.527 -0.002 0.000 0.336 211 F C -0.315 175.326 175.800 -0.266 0.000 1.100 211 F CA -0.330 57.695 58.000 0.043 0.000 1.116 211 F CB 0.688 39.714 39.000 0.042 0.000 1.166 211 F HN 0.392 nan 8.300 nan 0.000 0.511 212 F N 0.522 120.577 119.950 0.176 0.000 2.565 212 F HA 0.307 4.833 4.527 -0.002 0.000 0.313 212 F C -0.187 175.652 175.800 0.064 0.000 1.091 212 F CA -1.185 56.862 58.000 0.078 0.000 0.915 212 F CB 1.834 40.859 39.000 0.041 0.000 1.208 212 F HN 0.371 nan 8.300 nan 0.000 0.453 213 E N 3.227 123.524 120.200 0.162 0.000 2.115 213 E HA 0.459 4.808 4.350 -0.002 0.000 0.282 213 E C -1.760 174.893 176.600 0.090 0.000 0.987 213 E CA -0.720 55.731 56.400 0.084 0.000 0.797 213 E CB 1.071 30.712 29.700 -0.098 0.000 1.086 213 E HN 0.556 nan 8.360 nan 0.000 0.397 214 L N 5.447 126.729 121.223 0.098 0.000 2.319 214 L HA 0.388 4.727 4.340 -0.002 0.000 0.281 214 L C -1.043 175.836 176.870 0.015 0.000 1.005 214 L CA -0.553 54.307 54.840 0.034 0.000 0.828 214 L CB 1.486 43.541 42.059 -0.007 0.000 1.227 214 L HN 0.471 nan 8.230 nan 0.000 0.415 215 D N 3.702 124.104 120.400 0.004 0.000 2.390 215 D HA 0.175 4.814 4.640 -0.002 0.000 0.249 215 D C 0.812 177.048 176.300 -0.106 0.000 1.144 215 D CA 0.315 54.314 54.000 -0.001 0.000 0.880 215 D CB 2.002 42.808 40.800 0.010 0.000 1.182 215 D HN 0.501 nan 8.370 nan 0.000 0.451 216 V N 0.387 120.185 119.914 -0.194 0.000 3.176 216 V HA 0.322 4.441 4.120 -0.002 0.000 0.332 216 V C -0.733 175.004 176.094 -0.594 0.000 1.414 216 V CA -0.249 61.816 62.300 -0.392 0.000 1.133 216 V CB -0.775 30.765 31.823 -0.472 0.000 1.088 216 V HN 0.264 nan 8.190 nan 0.000 0.473 217 Y N -0.102 120.103 120.300 -0.157 0.000 2.442 217 Y HA 0.698 5.247 4.550 -0.002 0.000 0.344 217 Y C 0.577 176.381 175.900 -0.160 0.000 0.976 217 Y CA -1.171 56.842 58.100 -0.146 0.000 1.040 217 Y CB 1.344 39.775 38.460 -0.047 0.000 1.228 217 Y HN 0.140 nan 8.280 nan 0.000 0.451 218 H N 0.308 119.485 119.070 0.178 0.000 2.597 218 H HA 0.146 4.701 4.556 -0.002 0.000 0.370 218 H C 0.790 176.173 175.328 0.091 0.000 1.281 218 H CA 0.362 56.471 56.048 0.101 0.000 1.422 218 H CB 1.215 31.022 29.762 0.074 0.000 1.524 218 H HN 0.711 nan 8.280 nan 0.000 0.607 219 S N 0.166 115.987 115.700 0.202 0.000 2.419 219 S HA -0.185 4.284 4.470 -0.002 0.000 0.235 219 S C 0.945 175.597 174.600 0.087 0.000 1.019 219 S CA 1.764 60.031 58.200 0.111 0.000 0.982 219 S CB -0.316 62.931 63.200 0.078 0.000 0.789 219 S HN 0.661 nan 8.310 nan 0.000 0.490 220 D N -0.305 120.158 120.400 0.105 0.000 2.325 220 D HA 0.359 4.998 4.640 -0.002 0.000 0.234 220 D C 1.219 177.560 176.300 0.068 0.000 1.122 220 D CA 0.568 54.609 54.000 0.069 0.000 0.850 220 D CB -0.484 40.349 40.800 0.056 0.000 0.921 220 D HN 0.307 nan 8.370 nan 0.000 0.513 221 G N 0.314 109.160 108.800 0.077 0.000 2.284 221 G HA2 -0.334 3.625 3.960 -0.002 0.000 0.247 221 G HA3 -0.334 3.625 3.960 -0.002 0.000 0.247 221 G C 0.685 175.650 174.900 0.108 0.000 1.012 221 G CA 0.469 45.581 45.100 0.021 0.000 0.618 221 G HN 0.786 nan 8.290 nan 0.000 0.521 222 T N 1.504 116.168 114.554 0.184 0.000 2.930 222 T HA 0.533 4.882 4.350 -0.002 0.000 0.306 222 T C -1.752 173.151 174.700 0.337 0.000 1.045 222 T CA -0.502 61.743 62.100 0.242 0.000 1.134 222 T CB 2.104 71.102 68.868 0.218 0.000 0.961 222 T HN 0.388 nan 8.240 nan 0.000 0.545 223 P HA 0.310 nan 4.420 nan 0.000 0.277 223 P C -0.482 176.791 177.300 -0.045 0.000 1.240 223 P CA -0.804 62.336 63.100 0.066 0.000 0.798 223 P CB 0.677 32.390 31.700 0.023 0.000 0.979 224 L N 1.833 122.901 121.223 -0.258 0.000 2.452 224 L HA 0.216 4.555 4.340 -0.002 0.000 0.267 224 L C 1.603 178.457 176.870 -0.026 0.000 1.188 224 L CA 0.705 55.437 54.840 -0.181 0.000 0.821 224 L CB -0.303 41.600 42.059 -0.260 0.000 1.102 224 L HN 0.500 nan 8.230 nan 0.000 0.470 225 T N -1.966 112.626 114.554 0.064 0.000 2.849 225 T HA 0.223 4.572 4.350 -0.002 0.000 0.284 225 T C 1.311 176.038 174.700 0.044 0.000 1.004 225 T CA -0.124 62.016 62.100 0.066 0.000 1.021 225 T CB 0.800 69.719 68.868 0.085 0.000 1.013 225 T HN 0.663 nan 8.240 nan 0.000 0.527 226 S N 0.381 116.111 115.700 0.050 0.000 2.383 226 S HA -0.211 4.258 4.470 -0.002 0.000 0.229 226 S C 1.487 176.127 174.600 0.066 0.000 1.030 226 S CA 1.544 59.769 58.200 0.042 0.000 1.002 226 S CB -0.900 62.323 63.200 0.038 0.000 0.829 226 S HN 0.821 nan 8.310 nan 0.000 0.467 227 D N 1.536 121.971 120.400 0.059 0.000 2.092 227 D HA -0.098 4.541 4.640 -0.002 0.000 0.193 227 D C 2.383 178.760 176.300 0.128 0.000 0.994 227 D CA 1.535 55.581 54.000 0.076 0.000 0.828 227 D CB -0.290 40.538 40.800 0.048 0.000 0.963 227 D HN 0.576 nan 8.370 nan 0.000 0.450 228 Q N -0.467 119.390 119.800 0.095 0.000 2.119 228 Q HA -0.073 4.266 4.340 -0.002 0.000 0.201 228 Q C 2.361 178.391 176.000 0.050 0.000 0.972 228 Q CA 0.812 56.667 55.803 0.085 0.000 0.847 228 Q CB 0.022 28.822 28.738 0.103 0.000 0.903 228 Q HN 0.404 nan 8.270 nan 0.000 0.433 229 I N -0.071 120.520 120.570 0.035 0.000 2.226 229 I HA -0.265 3.904 4.170 -0.002 0.000 0.245 229 I C 2.107 178.231 176.117 0.013 0.000 1.100 229 I CA 1.014 62.311 61.300 -0.004 0.000 1.374 229 I CB -0.270 37.718 38.000 -0.020 0.000 1.057 229 I HN 0.181 nan 8.210 nan 0.000 0.413 230 F N 1.436 121.348 119.950 -0.064 0.000 2.095 230 F HA -0.233 4.293 4.527 -0.002 0.000 0.298 230 F C 2.343 178.103 175.800 -0.066 0.000 1.104 230 F CA 1.673 59.627 58.000 -0.075 0.000 1.232 230 F CB -0.484 38.474 39.000 -0.069 0.000 0.987 230 F HN -0.220 nan 8.300 nan 0.000 0.475 231 V N 0.613 120.496 119.914 -0.051 0.000 2.332 231 V HA -0.317 3.802 4.120 -0.002 0.000 0.248 231 V C 2.470 178.447 176.094 -0.194 0.000 1.055 231 V CA 2.107 64.326 62.300 -0.134 0.000 1.038 231 V CB -0.752 31.083 31.823 0.021 0.000 0.651 231 V HN 0.398 nan 8.190 nan 0.000 0.450 232 Q N -0.560 119.158 119.800 -0.138 0.000 2.123 232 Q HA -0.030 4.309 4.340 -0.002 0.000 0.199 232 Q C 2.256 178.137 176.000 -0.199 0.000 0.966 232 Q CA 1.305 57.027 55.803 -0.134 0.000 0.845 232 Q CB -0.323 28.361 28.738 -0.091 0.000 0.907 232 Q HN 0.555 nan 8.270 nan 0.000 0.439 233 L N 0.408 121.484 121.223 -0.246 0.000 2.141 233 L HA -0.152 4.187 4.340 -0.002 0.000 0.209 233 L C 2.411 179.087 176.870 -0.323 0.000 1.094 233 L CA 0.982 55.658 54.840 -0.274 0.000 0.763 233 L CB -0.309 41.598 42.059 -0.253 0.000 0.908 233 L HN 0.271 nan 8.230 nan 0.000 0.437 234 E N 0.674 120.608 120.200 -0.443 0.000 2.077 234 E HA -0.227 4.122 4.350 -0.002 0.000 0.193 234 E C 2.122 178.645 176.600 -0.128 0.000 0.989 234 E CA 1.171 57.359 56.400 -0.353 0.000 0.800 234 E CB 0.194 29.581 29.700 -0.520 0.000 0.746 234 E HN 0.373 nan 8.360 nan 0.000 0.452 235 K N 0.130 120.428 120.400 -0.171 0.000 2.057 235 K HA -0.116 4.203 4.320 -0.002 0.000 0.207 235 K C 2.175 178.643 176.600 -0.221 0.000 1.049 235 K CA 1.285 57.490 56.287 -0.137 0.000 0.931 235 K CB -0.096 32.335 32.500 -0.115 0.000 0.714 235 K HN 0.215 nan 8.250 nan 0.000 0.440 236 I N -0.301 120.060 120.570 -0.348 0.000 2.179 236 I HA -0.268 3.901 4.170 -0.002 0.000 0.242 236 I C 2.358 178.165 176.117 -0.517 0.000 1.088 236 I CA 1.177 62.041 61.300 -0.726 0.000 1.357 236 I CB -0.306 37.251 38.000 -0.740 0.000 1.051 236 I HN 0.334 nan 8.210 nan 0.000 0.409 237 W N 2.443 123.458 121.300 -0.476 0.000 2.317 237 W HA -0.260 4.398 4.660 -0.002 0.000 0.318 237 W C 2.395 178.797 176.519 -0.194 0.000 1.227 237 W CA 1.720 58.812 57.345 -0.421 0.000 1.269 237 W CB -0.542 28.648 29.460 -0.451 0.000 1.155 237 W HN 0.066 nan 8.180 nan 0.000 0.484 238 N N -0.103 118.429 118.700 -0.280 0.000 2.223 238 N HA -0.141 4.598 4.740 -0.002 0.000 0.185 238 N C 1.636 176.972 175.510 -0.290 0.000 1.016 238 N CA 1.778 54.576 53.050 -0.420 0.000 0.863 238 N CB -0.592 37.804 38.487 -0.151 0.000 0.983 238 N HN 0.119 nan 8.380 nan 0.000 0.429 239 S N -0.197 115.391 115.700 -0.187 0.000 2.607 239 S HA 0.005 4.474 4.470 -0.002 0.000 0.224 239 S C 0.777 175.432 174.600 0.092 0.000 0.969 239 S CA 0.183 58.372 58.200 -0.019 0.000 0.927 239 S CB 0.097 63.357 63.200 0.100 0.000 0.772 239 S HN 0.398 nan 8.310 nan 0.000 0.533 240 S N 0.251 115.946 115.700 -0.009 0.000 2.512 240 S HA 0.399 4.868 4.470 -0.002 0.000 0.161 240 S C 0.455 175.008 174.600 -0.078 0.000 1.383 240 S CA -0.559 57.687 58.200 0.078 0.000 1.248 240 S CB -0.426 62.960 63.200 0.310 0.000 1.488 240 S HN 0.220 nan 8.310 nan 0.000 0.382 241 L N 0.154 121.241 121.223 -0.227 0.000 2.156 241 L HA 0.061 4.400 4.340 -0.002 0.000 0.208 241 L C 0.736 177.505 176.870 -0.169 0.000 1.095 241 L CA 1.111 55.754 54.840 -0.328 0.000 0.770 241 L CB -0.127 41.709 42.059 -0.371 0.000 0.914 241 L HN 0.457 nan 8.230 nan 0.000 0.439 242 Q N -1.555 118.168 119.800 -0.128 0.000 2.297 242 Q HA 0.218 4.557 4.340 -0.002 0.000 0.268 242 Q C 0.043 175.955 176.000 -0.146 0.000 1.045 242 Q CA -0.186 55.552 55.803 -0.109 0.000 0.861 242 Q CB 1.821 30.517 28.738 -0.070 0.000 1.344 242 Q HN -0.216 nan 8.270 nan 0.000 0.452 243 S N 1.583 117.177 115.700 -0.177 0.000 2.994 243 S HA 0.061 4.530 4.470 -0.002 0.000 0.247 243 S C -0.337 174.198 174.600 -0.108 0.000 1.323 243 S CA -0.394 57.642 58.200 -0.273 0.000 1.246 243 S CB -0.815 62.154 63.200 -0.386 0.000 0.994 243 S HN 0.562 nan 8.310 nan 0.000 0.484 244 N N 1.744 120.415 118.700 -0.048 0.000 2.920 244 N HA 0.247 4.986 4.740 -0.002 0.000 0.310 244 N C -0.764 174.775 175.510 0.049 0.000 1.384 244 N CA -0.424 52.632 53.050 0.009 0.000 1.083 244 N CB 0.163 38.649 38.487 -0.002 0.000 1.389 244 N HN 0.098 nan 8.380 nan 0.000 0.521 245 K N 0.212 120.671 120.400 0.099 0.000 2.527 245 K HA 0.251 4.570 4.320 -0.002 0.000 0.260 245 K C -0.525 176.194 176.600 0.199 0.000 0.937 245 K CA -0.490 55.880 56.287 0.138 0.000 0.826 245 K CB 2.278 34.869 32.500 0.152 0.000 1.359 245 K HN 0.139 nan 8.250 nan 0.000 0.434 246 E N 2.859 123.152 120.200 0.155 0.000 2.414 246 E HA 0.060 4.409 4.350 -0.002 0.000 0.263 246 E C -1.975 174.702 176.600 0.128 0.000 1.000 246 E CA -1.449 55.024 56.400 0.121 0.000 0.914 246 E CB 0.308 30.051 29.700 0.071 0.000 0.948 246 E HN 0.167 nan 8.360 nan 0.000 0.444 247 P HA 0.053 nan 4.420 nan 0.000 0.225 247 P C 0.887 178.131 177.300 -0.094 0.000 1.813 247 P CA -0.008 63.003 63.100 -0.147 0.000 1.013 247 P CB 0.071 31.394 31.700 -0.627 0.000 1.961 248 V N 2.379 122.277 119.914 -0.027 0.000 2.370 248 V HA -0.251 3.868 4.120 -0.002 0.000 0.252 248 V C 2.807 178.815 176.094 -0.143 0.000 1.068 248 V CA 2.712 64.917 62.300 -0.159 0.000 1.061 248 V CB -1.563 29.964 31.823 -0.493 0.000 0.656 248 V HN 0.422 nan 8.190 nan 0.000 0.455 249 G N -0.667 108.185 108.800 0.086 0.000 2.475 249 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.220 249 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.220 249 G C 1.608 176.370 174.900 -0.229 0.000 1.125 249 G CA 0.970 46.122 45.100 0.087 0.000 0.755 249 G HN 0.538 nan 8.290 nan 0.000 0.565 250 I N 0.362 120.819 120.570 -0.187 0.000 2.700 250 I HA -0.085 4.084 4.170 -0.002 0.000 0.261 250 I C 2.401 178.324 176.117 -0.323 0.000 1.219 250 I CA 0.394 61.582 61.300 -0.187 0.000 1.463 250 I CB 0.057 37.952 38.000 -0.175 0.000 1.092 250 I HN 0.165 nan 8.210 nan 0.000 0.452 251 L N 0.211 121.144 121.223 -0.483 0.000 2.131 251 L HA -0.212 4.127 4.340 -0.002 0.000 0.210 251 L C 2.500 178.650 176.870 -1.199 0.000 1.092 251 L CA 1.870 56.305 54.840 -0.676 0.000 0.759 251 L CB -1.047 40.613 42.059 -0.665 0.000 0.903 251 L HN 0.428 nan 8.230 nan 0.000 0.435 252 T N -4.054 109.671 114.554 -1.381 0.000 3.155 252 T HA -0.080 4.269 4.350 -0.002 0.000 0.264 252 T C 1.646 175.966 174.700 -0.632 0.000 1.160 252 T CA 0.892 62.149 62.100 -1.405 0.000 1.075 252 T CB -0.293 67.912 68.868 -1.105 0.000 0.921 252 T HN 0.425 nan 8.240 nan 0.000 0.533 253 S N -0.343 115.101 115.700 -0.427 0.000 2.556 253 S HA 0.216 4.685 4.470 -0.002 0.000 0.216 253 S C 0.700 175.147 174.600 -0.254 0.000 0.970 253 S CA -0.740 57.255 58.200 -0.343 0.000 0.912 253 S CB -0.320 62.700 63.200 -0.300 0.000 0.790 253 S HN 0.384 nan 8.310 nan 0.000 0.504 254 N N 1.871 120.434 118.700 -0.229 0.000 2.413 254 N HA 0.189 4.928 4.740 -0.002 0.000 0.266 254 N C -0.335 175.179 175.510 0.005 0.000 1.238 254 N CA -0.343 52.662 53.050 -0.074 0.000 0.972 254 N CB 0.436 38.910 38.487 -0.022 0.000 1.210 254 N HN 0.462 nan 8.380 nan 0.000 0.547 255 H N 0.775 119.827 119.070 -0.030 0.000 3.016 255 H HA -0.004 4.551 4.556 -0.002 0.000 0.345 255 H C 1.175 176.515 175.328 0.020 0.000 1.066 255 H CA 0.388 56.412 56.048 -0.039 0.000 1.390 255 H CB 0.747 30.476 29.762 -0.056 0.000 1.344 255 H HN 0.329 nan 8.280 nan 0.000 0.605 256 R N 3.072 123.394 120.500 -0.297 0.000 2.152 256 R HA -0.111 4.228 4.340 -0.002 0.000 0.232 256 R C 1.330 177.692 176.300 0.103 0.000 1.117 256 R CA 0.895 56.966 56.100 -0.049 0.000 0.981 256 R CB -0.468 29.733 30.300 -0.165 0.000 0.870 256 R HN 0.684 nan 8.270 nan 0.000 0.451 257 N N -0.056 118.824 118.700 0.299 0.000 2.216 257 N HA -0.062 4.677 4.740 -0.002 0.000 0.183 257 N C 1.493 177.097 175.510 0.157 0.000 1.017 257 N CA 1.420 54.595 53.050 0.207 0.000 0.861 257 N CB -0.233 38.371 38.487 0.195 0.000 0.986 257 N HN 0.169 nan 8.380 nan 0.000 0.428 258 T N 0.248 114.930 114.554 0.212 0.000 2.737 258 T HA -0.119 4.231 4.350 -0.002 0.000 0.265 258 T C 1.515 176.353 174.700 0.231 0.000 1.038 258 T CA 0.613 62.807 62.100 0.158 0.000 1.144 258 T CB -0.300 68.649 68.868 0.136 0.000 0.866 258 T HN 0.477 nan 8.240 nan 0.000 0.434 259 W N 1.863 123.179 121.300 0.027 0.000 2.402 259 W HA -0.071 4.588 4.660 -0.002 0.000 0.286 259 W C 2.405 178.961 176.519 0.062 0.000 1.221 259 W CA 0.579 57.931 57.345 0.012 0.000 1.257 259 W CB -0.138 29.294 29.460 -0.048 0.000 1.120 259 W HN 0.292 nan 8.180 nan 0.000 0.551 260 A N 1.286 124.059 122.820 -0.079 0.000 1.908 260 A HA -0.248 4.072 4.320 -0.002 0.000 0.218 260 A C 1.928 179.453 177.584 -0.097 0.000 1.181 260 A CA 2.122 54.039 52.037 -0.200 0.000 0.627 260 A CB -0.748 18.201 19.000 -0.085 0.000 0.818 260 A HN 0.356 nan 8.150 nan 0.000 0.445 261 K N -0.510 119.882 120.400 -0.013 0.000 2.031 261 K HA 0.042 4.361 4.320 -0.002 0.000 0.205 261 K C 2.324 178.931 176.600 0.012 0.000 1.049 261 K CA 1.014 57.303 56.287 0.004 0.000 0.939 261 K CB -0.309 32.206 32.500 0.024 0.000 0.717 261 K HN 0.413 nan 8.250 nan 0.000 0.438 262 A N 0.730 123.601 122.820 0.086 0.000 1.972 262 A HA -0.203 4.116 4.320 -0.002 0.000 0.219 262 A C 2.053 179.687 177.584 0.084 0.000 1.169 262 A CA 1.263 53.395 52.037 0.159 0.000 0.635 262 A CB -0.671 18.540 19.000 0.352 0.000 0.810 262 A HN 0.446 nan 8.150 nan 0.000 0.446 263 Y N 1.099 121.174 120.300 -0.376 0.000 2.200 263 Y HA -0.186 4.363 4.550 -0.002 0.000 0.290 263 Y C 2.285 178.026 175.900 -0.265 0.000 1.137 263 Y CA 1.852 59.543 58.100 -0.682 0.000 1.163 263 Y CB -0.387 37.214 38.460 -1.433 0.000 0.988 263 Y HN 0.441 nan 8.280 nan 0.000 0.518 264 N N 0.429 118.977 118.700 -0.252 0.000 2.120 264 N HA -0.270 4.469 4.740 -0.002 0.000 0.188 264 N C 1.673 177.067 175.510 -0.194 0.000 1.024 264 N CA 1.660 54.571 53.050 -0.232 0.000 0.852 264 N CB -0.450 37.988 38.487 -0.082 0.000 1.003 264 N HN 0.513 nan 8.380 nan 0.000 0.424 265 N N 0.643 119.278 118.700 -0.109 0.000 2.142 265 N HA -0.142 4.597 4.740 -0.002 0.000 0.186 265 N C 1.933 177.408 175.510 -0.058 0.000 1.023 265 N CA 0.720 53.735 53.050 -0.058 0.000 0.852 265 N CB -0.382 38.098 38.487 -0.011 0.000 0.998 265 N HN 0.185 nan 8.380 nan 0.000 0.424 266 L N 1.231 122.419 121.223 -0.058 0.000 2.013 266 L HA -0.079 4.260 4.340 -0.002 0.000 0.212 266 L C 1.648 178.497 176.870 -0.035 0.000 1.073 266 L CA 1.646 56.484 54.840 -0.002 0.000 0.753 266 L CB -0.727 41.381 42.059 0.081 0.000 0.890 266 L HN 0.505 nan 8.230 nan 0.000 0.432 267 I N -4.222 116.237 120.570 -0.186 0.000 3.680 267 I HA -0.008 4.161 4.170 -0.002 0.000 0.306 267 I C 1.709 177.764 176.117 -0.104 0.000 1.260 267 I CA 0.341 61.544 61.300 -0.162 0.000 1.201 267 I CB -0.641 37.166 38.000 -0.322 0.000 1.009 267 I HN 0.136 nan 8.210 nan 0.000 0.467 268 K N 1.237 121.591 120.400 -0.076 0.000 2.217 268 K HA -0.057 4.262 4.320 -0.002 0.000 0.202 268 K C 0.397 176.981 176.600 -0.027 0.000 1.051 268 K CA 0.722 56.980 56.287 -0.049 0.000 0.952 268 K CB -0.155 32.323 32.500 -0.037 0.000 0.736 268 K HN 0.456 nan 8.250 nan 0.000 0.453 269 D N 0.876 121.268 120.400 -0.012 0.000 2.304 269 D HA -0.003 4.636 4.640 -0.002 0.000 0.250 269 D C 0.902 177.194 176.300 -0.013 0.000 1.107 269 D CA -0.060 53.939 54.000 -0.002 0.000 0.885 269 D CB 1.292 42.106 40.800 0.024 0.000 1.192 269 D HN -0.135 nan 8.370 nan 0.000 0.436 270 K N 2.378 122.765 120.400 -0.022 0.000 2.032 270 K HA -0.143 4.176 4.320 -0.002 0.000 0.209 270 K C 1.476 178.045 176.600 -0.052 0.000 1.048 270 K CA 1.247 57.513 56.287 -0.035 0.000 0.927 270 K CB -0.030 32.450 32.500 -0.033 0.000 0.712 270 K HN 0.404 nan 8.250 nan 0.000 0.441 271 V N 2.033 121.913 119.914 -0.056 0.000 2.358 271 V HA -0.231 3.888 4.120 -0.002 0.000 0.246 271 V C 1.886 177.900 176.094 -0.133 0.000 1.047 271 V CA 1.887 64.128 62.300 -0.099 0.000 1.035 271 V CB -0.680 31.086 31.823 -0.096 0.000 0.658 271 V HN 0.409 nan 8.190 nan 0.000 0.452 272 N N 0.362 119.034 118.700 -0.046 0.000 2.084 272 N HA -0.183 4.556 4.740 -0.002 0.000 0.190 272 N C 1.939 177.461 175.510 0.021 0.000 1.030 272 N CA 1.549 54.628 53.050 0.049 0.000 0.849 272 N CB -0.487 38.140 38.487 0.232 0.000 1.012 272 N HN 0.428 nan 8.380 nan 0.000 0.423 273 R N 1.167 121.661 120.500 -0.010 0.000 2.091 273 R HA -0.078 4.261 4.340 -0.002 0.000 0.238 273 R C 1.774 178.040 176.300 -0.057 0.000 1.136 273 R CA 1.431 57.516 56.100 -0.025 0.000 0.959 273 R CB -0.012 30.265 30.300 -0.039 0.000 0.856 273 R HN 0.329 nan 8.270 nan 0.000 0.437 274 E N -0.508 119.633 120.200 -0.097 0.000 2.077 274 E HA -0.140 4.209 4.350 -0.002 0.000 0.193 274 E C 2.043 178.526 176.600 -0.194 0.000 0.989 274 E CA 1.562 57.883 56.400 -0.132 0.000 0.800 274 E CB 0.068 29.686 29.700 -0.136 0.000 0.746 274 E HN 0.272 nan 8.360 nan 0.000 0.452 275 S N 0.214 115.744 115.700 -0.283 0.000 2.356 275 S HA -0.134 4.335 4.470 -0.002 0.000 0.223 275 S C 2.176 176.574 174.600 -0.336 0.000 1.032 275 S CA 0.875 58.815 58.200 -0.433 0.000 1.005 275 S CB -0.154 62.501 63.200 -0.908 0.000 0.867 275 S HN 0.061 nan 8.310 nan 0.000 0.449 276 V N 3.141 122.951 119.914 -0.172 0.000 2.287 276 V HA -0.221 3.898 4.120 -0.002 0.000 0.248 276 V C 2.395 178.424 176.094 -0.108 0.000 1.053 276 V CA 1.796 64.030 62.300 -0.110 0.000 1.027 276 V CB -0.788 31.140 31.823 0.175 0.000 0.646 276 V HN 0.578 nan 8.190 nan 0.000 0.447 277 N N -0.212 118.450 118.700 -0.064 0.000 2.069 277 N HA -0.221 4.518 4.740 -0.002 0.000 0.191 277 N C 2.163 177.605 175.510 -0.112 0.000 1.031 277 N CA 1.917 54.932 53.050 -0.058 0.000 0.852 277 N CB -0.054 38.394 38.487 -0.065 0.000 1.018 277 N HN 0.457 nan 8.380 nan 0.000 0.423 278 S N 0.479 116.090 115.700 -0.150 0.000 2.368 278 S HA -0.040 4.429 4.470 -0.002 0.000 0.225 278 S C 2.131 176.731 174.600 0.000 0.000 1.030 278 S CA 0.707 58.839 58.200 -0.113 0.000 0.999 278 S CB -0.205 62.869 63.200 -0.210 0.000 0.844 278 S HN 0.336 nan 8.310 nan 0.000 0.459 279 I N 1.269 121.736 120.570 -0.172 0.000 2.202 279 I HA -0.204 3.965 4.170 -0.002 0.000 0.242 279 I C 2.776 178.825 176.117 -0.114 0.000 1.091 279 I CA 1.316 62.474 61.300 -0.237 0.000 1.368 279 I CB -0.412 37.149 38.000 -0.731 0.000 1.058 279 I HN 0.404 nan 8.210 nan 0.000 0.410 280 Q N 0.720 120.481 119.800 -0.066 0.000 2.124 280 Q HA -0.216 4.123 4.340 -0.002 0.000 0.202 280 Q C 2.002 178.096 176.000 0.157 0.000 0.977 280 Q CA 1.317 57.190 55.803 0.117 0.000 0.850 280 Q CB -0.149 28.713 28.738 0.208 0.000 0.901 280 Q HN 0.501 nan 8.270 nan 0.000 0.429 281 K N 0.987 121.350 120.400 -0.062 0.000 2.365 281 K HA 0.025 4.344 4.320 -0.002 0.000 0.197 281 K C 0.792 177.303 176.600 -0.148 0.000 1.042 281 K CA 0.194 56.326 56.287 -0.259 0.000 0.987 281 K CB 0.235 32.429 32.500 -0.510 0.000 0.779 281 K HN 0.123 nan 8.250 nan 0.000 0.484 282 S N 0.711 116.310 115.700 -0.169 0.000 2.558 282 S HA 0.019 4.488 4.470 -0.002 0.000 0.288 282 S C 1.294 175.764 174.600 -0.217 0.000 1.318 282 S CA -0.358 57.563 58.200 -0.464 0.000 1.056 282 S CB 0.380 63.443 63.200 -0.228 0.000 0.853 282 S HN 0.106 nan 8.310 nan 0.000 0.505 283 I N 1.217 121.612 120.570 -0.291 0.000 2.194 283 I HA -0.052 4.117 4.170 -0.002 0.000 0.246 283 I C 0.690 176.922 176.117 0.193 0.000 1.093 283 I CA 1.428 62.709 61.300 -0.031 0.000 1.355 283 I CB -0.503 37.465 38.000 -0.053 0.000 1.046 283 I HN 0.823 nan 8.210 nan 0.000 0.413 284 F N -3.015 116.974 119.950 0.064 0.000 2.900 284 F HA 0.517 5.043 4.527 -0.002 0.000 0.321 284 F C -1.003 174.887 175.800 0.150 0.000 1.160 284 F CA -1.227 56.859 58.000 0.142 0.000 0.890 284 F CB 0.751 39.916 39.000 0.274 0.000 1.334 284 F HN -0.510 nan 8.300 nan 0.000 0.459 285 T N 1.636 116.458 114.554 0.447 0.000 2.856 285 T HA 0.704 5.053 4.350 -0.002 0.000 0.283 285 T C -1.217 173.752 174.700 0.448 0.000 1.008 285 T CA -0.678 61.620 62.100 0.330 0.000 0.997 285 T CB 1.944 70.989 68.868 0.295 0.000 0.992 285 T HN 0.607 nan 8.240 nan 0.000 0.454 286 V N 2.153 122.267 119.914 0.333 0.000 2.448 286 V HA 0.364 4.483 4.120 -0.002 0.000 0.295 286 V C -0.327 175.889 176.094 0.203 0.000 1.025 286 V CA -0.851 61.644 62.300 0.325 0.000 0.859 286 V CB 1.487 33.481 31.823 0.285 0.000 0.988 286 V HN 1.070 nan 8.190 nan 0.000 0.431 287 C N 6.260 125.677 119.300 0.195 0.000 2.255 287 C HA 0.536 4.995 4.460 -0.002 0.000 0.326 287 C C 0.321 175.414 174.990 0.172 0.000 1.258 287 C CA -0.919 58.188 59.018 0.148 0.000 1.676 287 C CB -0.295 27.520 27.740 0.126 0.000 2.314 287 C HN 0.704 nan 8.230 nan 0.000 0.509 288 L N 3.941 125.271 121.223 0.179 0.000 2.328 288 L HA 0.255 4.594 4.340 -0.002 0.000 0.280 288 L C -0.150 176.880 176.870 0.268 0.000 1.111 288 L CA 0.100 55.065 54.840 0.209 0.000 0.909 288 L CB -0.182 41.989 42.059 0.187 0.000 1.277 288 L HN 0.627 nan 8.230 nan 0.000 0.433 289 D N 2.766 123.301 120.400 0.225 0.000 2.362 289 D HA 0.152 4.791 4.640 -0.002 0.000 0.242 289 D C 0.278 176.710 176.300 0.219 0.000 1.132 289 D CA -0.099 54.029 54.000 0.213 0.000 0.907 289 D CB 1.019 41.939 40.800 0.200 0.000 1.195 289 D HN 0.389 nan 8.370 nan 0.000 0.429 290 K N 0.311 120.821 120.400 0.184 0.000 2.098 290 K HA 0.250 4.569 4.320 -0.002 0.000 0.257 290 K C 0.116 176.823 176.600 0.179 0.000 0.999 290 K CA -0.876 55.512 56.287 0.169 0.000 0.924 290 K CB 1.009 33.565 32.500 0.093 0.000 1.028 290 K HN 0.293 nan 8.250 nan 0.000 0.466 291 Q N 1.416 121.316 119.800 0.167 0.000 2.315 291 Q HA 0.077 4.416 4.340 -0.002 0.000 0.289 291 Q C -0.503 175.596 176.000 0.166 0.000 1.044 291 Q CA -0.472 55.424 55.803 0.154 0.000 0.920 291 Q CB 0.632 29.450 28.738 0.134 0.000 1.214 291 Q HN 0.539 nan 8.270 nan 0.000 0.392 292 V N 1.398 121.399 119.914 0.145 0.000 2.919 292 V HA 0.694 4.813 4.120 -0.002 0.000 0.316 292 V C -2.371 173.781 176.094 0.096 0.000 1.077 292 V CA -2.217 60.168 62.300 0.141 0.000 0.977 292 V CB 0.821 32.664 31.823 0.033 0.000 1.039 292 V HN 0.797 nan 8.190 nan 0.000 0.441 293 P HA 0.262 nan 4.420 nan 0.000 0.269 293 P C -0.420 176.884 177.300 0.008 0.000 1.217 293 P CA -0.285 62.857 63.100 0.069 0.000 0.783 293 P CB 0.346 32.110 31.700 0.107 0.000 0.898 294 R N 1.055 121.556 120.500 0.001 0.000 2.539 294 R HA 0.421 4.760 4.340 -0.002 0.000 0.275 294 R C -0.619 175.641 176.300 -0.068 0.000 1.077 294 R CA -0.478 55.605 56.100 -0.027 0.000 1.097 294 R CB 0.269 30.552 30.300 -0.029 0.000 1.018 294 R HN 0.385 nan 8.270 nan 0.000 0.483 295 V N 0.322 120.181 119.914 -0.092 0.000 3.007 295 V HA 0.499 4.618 4.120 -0.002 0.000 0.311 295 V C -0.281 175.757 176.094 -0.092 0.000 1.120 295 V CA -0.907 61.297 62.300 -0.161 0.000 0.980 295 V CB 1.768 33.343 31.823 -0.413 0.000 1.033 295 V HN 0.986 nan 8.190 nan 0.000 0.429 296 S N 1.113 116.767 115.700 -0.076 0.000 2.558 296 S HA 0.020 4.489 4.470 -0.002 0.000 0.291 296 S C 0.667 175.261 174.600 -0.009 0.000 1.306 296 S CA 0.512 58.690 58.200 -0.037 0.000 1.056 296 S CB 0.293 63.483 63.200 -0.017 0.000 0.836 296 S HN 0.859 nan 8.310 nan 0.000 0.504 297 D N 1.963 122.352 120.400 -0.019 0.000 2.133 297 D HA -0.168 4.471 4.640 -0.002 0.000 0.195 297 D C 1.575 177.913 176.300 0.062 0.000 0.997 297 D CA 1.781 55.781 54.000 -0.001 0.000 0.840 297 D CB -0.412 40.365 40.800 -0.038 0.000 0.947 297 D HN 0.924 nan 8.370 nan 0.000 0.452 298 D N 0.914 121.341 120.400 0.044 0.000 2.384 298 D HA -0.119 4.520 4.640 -0.002 0.000 0.222 298 D C 1.650 177.999 176.300 0.082 0.000 0.976 298 D CA 0.614 54.648 54.000 0.057 0.000 0.915 298 D CB -0.114 40.710 40.800 0.039 0.000 0.896 298 D HN 0.313 nan 8.370 nan 0.000 0.523 299 V N -4.016 115.960 119.914 0.104 0.000 3.330 299 V HA 0.229 4.348 4.120 -0.002 0.000 0.309 299 V C 1.709 177.930 176.094 0.212 0.000 1.481 299 V CA -0.709 61.682 62.300 0.153 0.000 1.068 299 V CB -0.839 31.096 31.823 0.187 0.000 0.935 299 V HN -0.045 nan 8.190 nan 0.000 0.453 300 Y N 2.498 122.812 120.300 0.023 0.000 2.070 300 Y HA -0.141 4.408 4.550 -0.002 0.000 0.280 300 Y C 2.719 178.640 175.900 0.035 0.000 1.148 300 Y CA 2.647 60.747 58.100 0.001 0.000 1.125 300 Y CB -0.172 38.270 38.460 -0.030 0.000 0.975 300 Y HN 0.280 nan 8.280 nan 0.000 0.492 301 R N 0.184 120.638 120.500 -0.077 0.000 2.105 301 R HA -0.197 4.142 4.340 -0.002 0.000 0.239 301 R C 1.920 178.107 176.300 -0.188 0.000 1.135 301 R CA 1.758 57.748 56.100 -0.182 0.000 0.967 301 R CB -0.267 30.020 30.300 -0.022 0.000 0.861 301 R HN 0.409 nan 8.270 nan 0.000 0.442 302 N N -0.110 118.536 118.700 -0.091 0.000 2.120 302 N HA -0.160 4.579 4.740 -0.002 0.000 0.188 302 N C 1.516 176.878 175.510 -0.247 0.000 1.024 302 N CA 1.471 54.428 53.050 -0.155 0.000 0.852 302 N CB -0.486 37.952 38.487 -0.081 0.000 1.003 302 N HN 0.412 nan 8.380 nan 0.000 0.424 303 H N -0.156 118.782 119.070 -0.221 0.000 2.395 303 H HA 0.079 4.634 4.556 -0.002 0.000 0.299 303 H C 2.037 177.184 175.328 -0.302 0.000 1.070 303 H CA 0.820 56.731 56.048 -0.227 0.000 1.356 303 H CB -0.127 29.530 29.762 -0.174 0.000 1.401 303 H HN -0.053 nan 8.280 nan 0.000 0.524 304 V N 0.568 120.304 119.914 -0.297 0.000 2.427 304 V HA -0.243 3.876 4.120 -0.002 0.000 0.248 304 V C 2.577 178.508 176.094 -0.273 0.000 1.051 304 V CA 1.522 63.637 62.300 -0.308 0.000 1.048 304 V CB -1.059 30.508 31.823 -0.428 0.000 0.666 304 V HN 0.559 nan 8.190 nan 0.000 0.456 305 A N 0.885 123.463 122.820 -0.404 0.000 1.883 305 A HA -0.138 4.181 4.320 -0.002 0.000 0.217 305 A C 2.458 179.625 177.584 -0.695 0.000 1.186 305 A CA 2.103 53.672 52.037 -0.781 0.000 0.624 305 A CB -1.349 16.969 19.000 -1.138 0.000 0.822 305 A HN 0.525 nan 8.150 nan 0.000 0.444 306 G N -0.937 107.524 108.800 -0.565 0.000 2.440 306 G HA2 -0.327 3.632 3.960 -0.002 0.000 0.218 306 G HA3 -0.327 3.632 3.960 -0.002 0.000 0.218 306 G C 1.631 176.115 174.900 -0.693 0.000 1.154 306 G CA 1.195 45.877 45.100 -0.697 0.000 0.767 306 G HN 0.660 nan 8.290 nan 0.000 0.552 307 Q N -0.786 118.829 119.800 -0.309 0.000 2.096 307 Q HA -0.114 4.225 4.340 -0.002 0.000 0.204 307 Q C 2.520 178.500 176.000 -0.034 0.000 0.982 307 Q CA 1.361 57.095 55.803 -0.115 0.000 0.850 307 Q CB -0.136 28.578 28.738 -0.041 0.000 0.901 307 Q HN 0.369 nan 8.270 nan 0.000 0.422 308 M N -0.237 119.361 119.600 -0.003 0.000 2.288 308 M HA -0.071 4.408 4.480 -0.002 0.000 0.266 308 M C 2.067 178.484 176.300 0.195 0.000 1.072 308 M CA 0.752 56.145 55.300 0.154 0.000 1.132 308 M CB -0.839 31.942 32.600 0.302 0.000 1.386 308 M HN 0.289 nan 8.290 nan 0.000 0.432 309 L N 0.539 121.837 121.223 0.125 0.000 2.068 309 L HA -0.122 4.217 4.340 -0.002 0.000 0.204 309 L C 2.418 179.330 176.870 0.071 0.000 1.076 309 L CA 1.819 56.738 54.840 0.133 0.000 0.753 309 L CB -0.515 41.593 42.059 0.081 0.000 0.910 309 L HN 0.530 nan 8.230 nan 0.000 0.439 310 H N -4.264 114.861 119.070 0.092 0.000 3.360 310 H HA 0.399 4.954 4.556 -0.002 0.000 0.262 310 H C 1.316 176.767 175.328 0.204 0.000 1.149 310 H CA 0.602 56.675 56.048 0.042 0.000 1.181 310 H CB 0.635 30.339 29.762 -0.097 0.000 1.564 310 H HN 0.269 nan 8.280 nan 0.000 0.565 311 G N 0.769 109.712 108.800 0.238 0.000 2.213 311 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.236 311 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.236 311 G C 1.325 176.421 174.900 0.327 0.000 0.991 311 G CA 0.694 45.968 45.100 0.291 0.000 0.629 311 G HN 1.344 nan 8.290 nan 0.000 0.517 312 G N -1.117 107.988 108.800 0.509 0.000 2.225 312 G HA2 0.448 4.407 3.960 -0.002 0.000 0.254 312 G HA3 0.448 4.407 3.960 -0.002 0.000 0.254 312 G C 1.468 176.687 174.900 0.533 0.000 0.988 312 G CA 0.861 46.216 45.100 0.425 0.000 0.625 312 G HN 2.963 nan 8.290 nan 0.000 0.527 313 G N -1.789 107.264 108.800 0.423 0.000 2.357 313 G HA2 0.466 4.425 3.960 -0.002 0.000 0.643 313 G HA3 0.466 4.425 3.960 -0.002 0.000 0.643 313 G C 0.793 175.778 174.900 0.142 0.000 1.358 313 G CA 0.873 46.134 45.100 0.268 0.000 0.986 313 G HN 1.754 nan 8.290 nan 0.000 0.620 314 S N -0.586 115.114 115.700 -0.000 0.000 2.442 314 S HA -0.123 4.346 4.470 -0.002 0.000 0.236 314 S C 1.807 176.354 174.600 -0.089 0.000 1.007 314 S CA 1.814 59.975 58.200 -0.065 0.000 0.965 314 S CB -0.271 62.879 63.200 -0.084 0.000 0.773 314 S HN 1.099 nan 8.310 nan 0.000 0.504 315 K N -0.270 119.973 120.400 -0.261 0.000 2.404 315 K HA 0.265 4.584 4.320 -0.002 0.000 0.194 315 K C 0.560 176.912 176.600 -0.415 0.000 1.023 315 K CA 0.069 56.123 56.287 -0.388 0.000 1.094 315 K CB -0.168 31.965 32.500 -0.611 0.000 0.841 315 K HN 0.468 nan 8.250 nan 0.000 0.523 316 F N 1.097 121.148 119.950 0.169 0.000 2.243 316 F HA 0.261 4.786 4.527 -0.002 0.000 0.205 316 F C 1.533 177.478 175.800 0.243 0.000 1.141 316 F CA -0.911 57.197 58.000 0.181 0.000 1.193 316 F CB 0.083 39.176 39.000 0.154 0.000 1.576 316 F HN -0.151 nan 8.300 nan 0.000 0.484 317 N N -0.582 118.393 118.700 0.458 0.000 2.170 317 N HA 0.107 4.846 4.740 -0.002 0.000 0.222 317 N C 1.004 176.683 175.510 0.281 0.000 1.218 317 N CA 0.227 53.493 53.050 0.360 0.000 0.889 317 N CB 0.737 39.392 38.487 0.280 0.000 1.083 317 N HN 0.086 nan 8.380 nan 0.000 0.520 318 S N 0.129 115.981 115.700 0.255 0.000 2.419 318 S HA -0.068 4.401 4.470 -0.002 0.000 0.233 318 S C 1.916 176.566 174.600 0.085 0.000 1.016 318 S CA 1.179 59.515 58.200 0.226 0.000 0.974 318 S CB -0.145 63.173 63.200 0.198 0.000 0.786 318 S HN 0.491 nan 8.310 nan 0.000 0.492 319 G N 0.871 109.596 108.800 -0.125 0.000 2.744 319 G HA2 -0.067 3.892 3.960 -0.002 0.000 0.211 319 G HA3 -0.067 3.892 3.960 -0.002 0.000 0.211 319 G C 0.769 175.604 174.900 -0.107 0.000 1.143 319 G CA -0.055 44.793 45.100 -0.419 0.000 0.788 319 G HN 0.410 nan 8.290 nan 0.000 0.534 320 N N 0.617 119.401 118.700 0.141 0.000 2.575 320 N HA 0.181 4.920 4.740 -0.002 0.000 0.275 320 N C -0.001 175.529 175.510 0.034 0.000 1.202 320 N CA -0.135 53.022 53.050 0.179 0.000 0.945 320 N CB -0.004 38.631 38.487 0.248 0.000 1.247 320 N HN 0.078 nan 8.380 nan 0.000 0.510 321 R N -0.557 119.954 120.500 0.018 0.000 2.781 321 R HA 0.339 4.678 4.340 -0.002 0.000 0.269 321 R C -1.452 174.922 176.300 0.123 0.000 1.025 321 R CA -0.632 55.382 56.100 -0.144 0.000 0.914 321 R CB 1.179 31.010 30.300 -0.782 0.000 1.236 321 R HN 0.217 nan 8.270 nan 0.000 0.465 322 W N 2.736 123.932 121.300 -0.172 0.000 2.258 322 W HA 0.250 4.909 4.660 -0.001 0.000 0.287 322 W C -0.817 175.635 176.519 -0.111 0.000 1.024 322 W CA -0.679 56.653 57.345 -0.022 0.000 1.377 322 W CB 0.280 29.829 29.460 0.149 0.000 1.351 322 W HN 0.640 nan 8.180 nan 0.000 0.334 323 F N 1.204 121.064 119.950 -0.150 0.000 2.583 323 F HA -0.167 4.360 4.527 -0.001 0.000 0.297 323 F C 1.796 177.569 175.800 -0.044 0.000 1.131 323 F CA 1.074 59.020 58.000 -0.090 0.000 1.467 323 F CB -0.082 38.824 39.000 -0.156 0.000 1.097 323 F HN 0.003 nan 8.300 nan 0.000 0.586 324 D N -0.030 120.411 120.400 0.069 0.000 2.277 324 D HA -0.059 4.580 4.640 -0.002 0.000 0.208 324 D C 1.054 177.538 176.300 0.308 0.000 0.962 324 D CA 0.654 54.779 54.000 0.209 0.000 0.865 324 D CB -0.088 40.893 40.800 0.303 0.000 0.939 324 D HN -0.003 nan 8.370 nan 0.000 0.510 325 K N 0.669 121.312 120.400 0.405 0.000 2.412 325 K HA 0.046 4.365 4.320 -0.002 0.000 0.281 325 K C 1.092 177.816 176.600 0.207 0.000 1.027 325 K CA 0.254 56.739 56.287 0.331 0.000 0.989 325 K CB 0.645 33.355 32.500 0.351 0.000 0.935 325 K HN -0.221 nan 8.250 nan 0.000 0.475 326 T N 3.387 118.045 114.554 0.173 0.000 2.684 326 T HA -0.078 4.271 4.350 -0.002 0.000 0.267 326 T C 0.343 175.093 174.700 0.084 0.000 1.036 326 T CA 1.174 63.347 62.100 0.121 0.000 1.148 326 T CB -0.092 68.839 68.868 0.105 0.000 0.863 326 T HN 0.400 nan 8.240 nan 0.000 0.436 327 L N 1.473 122.738 121.223 0.070 0.000 2.325 327 L HA 0.472 4.811 4.340 -0.002 0.000 0.281 327 L C -0.525 176.281 176.870 -0.106 0.000 1.004 327 L CA -0.531 54.252 54.840 -0.094 0.000 0.823 327 L CB 1.820 43.823 42.059 -0.093 0.000 1.236 327 L HN 0.063 nan 8.230 nan 0.000 0.415 328 Q N 3.636 123.277 119.800 -0.264 0.000 2.309 328 Q HA 0.485 4.824 4.340 -0.002 0.000 0.270 328 Q C -1.476 174.345 176.000 -0.297 0.000 1.023 328 Q CA -0.460 55.267 55.803 -0.127 0.000 0.758 328 Q CB 2.492 31.213 28.738 -0.028 0.000 1.247 328 Q HN 0.399 nan 8.270 nan 0.000 0.455 329 F N 2.783 122.808 119.950 0.126 0.000 2.408 329 F HA 0.482 5.008 4.527 -0.001 0.000 0.344 329 F C 0.214 176.090 175.800 0.127 0.000 1.112 329 F CA -0.649 57.405 58.000 0.090 0.000 1.096 329 F CB 0.962 39.977 39.000 0.024 0.000 1.129 329 F HN 0.308 nan 8.300 nan 0.000 0.486 330 I N 4.119 124.857 120.570 0.280 0.000 2.362 330 I HA 0.392 4.561 4.170 -0.002 0.000 0.289 330 I C -0.976 175.311 176.117 0.284 0.000 0.994 330 I CA -0.874 60.569 61.300 0.240 0.000 1.158 330 I CB 1.601 39.712 38.000 0.185 0.000 1.315 330 I HN 0.191 nan 8.210 nan 0.000 0.451 331 V N 6.058 126.142 119.914 0.282 0.000 2.350 331 V HA 0.545 4.664 4.120 -0.002 0.000 0.285 331 V C 0.551 176.834 176.094 0.315 0.000 1.014 331 V CA -0.581 61.928 62.300 0.348 0.000 0.831 331 V CB 1.248 33.271 31.823 0.333 0.000 1.000 331 V HN 0.852 nan 8.190 nan 0.000 0.433 332 A N 3.259 126.277 122.820 0.330 0.000 2.313 332 A HA 0.431 4.750 4.320 -0.002 0.000 0.261 332 A C 1.289 179.101 177.584 0.380 0.000 1.090 332 A CA -0.133 52.073 52.037 0.281 0.000 0.807 332 A CB 0.468 19.582 19.000 0.189 0.000 1.055 332 A HN 0.821 nan 8.150 nan 0.000 0.492 333 E N 0.341 120.715 120.200 0.290 0.000 2.150 333 E HA -0.193 4.156 4.350 -0.002 0.000 0.193 333 E C 0.584 177.379 176.600 0.325 0.000 0.985 333 E CA 1.644 58.231 56.400 0.311 0.000 0.814 333 E CB -0.073 29.756 29.700 0.214 0.000 0.752 333 E HN 0.787 nan 8.360 nan 0.000 0.466 334 D N -1.443 119.058 120.400 0.169 0.000 2.319 334 D HA 0.086 4.725 4.640 -0.002 0.000 0.230 334 D C 1.214 177.366 176.300 -0.246 0.000 1.094 334 D CA 0.837 54.849 54.000 0.021 0.000 0.856 334 D CB 0.213 41.050 40.800 0.062 0.000 0.915 334 D HN 0.296 nan 8.370 nan 0.000 0.517 335 G N -0.584 107.877 108.800 -0.565 0.000 2.259 335 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.217 335 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.217 335 G C 0.457 175.053 174.900 -0.506 0.000 1.001 335 G CA 0.069 44.433 45.100 -1.226 0.000 0.627 335 G HN 0.402 nan 8.290 nan 0.000 0.501 336 S N 0.450 116.063 115.700 -0.144 0.000 2.584 336 S HA 0.573 5.042 4.470 -0.002 0.000 0.270 336 S C 0.592 175.238 174.600 0.077 0.000 1.346 336 S CA 0.514 58.702 58.200 -0.019 0.000 1.018 336 S CB 1.241 64.454 63.200 0.023 0.000 0.899 336 S HN 1.762 nan 8.310 nan 0.000 0.542 337 C N -0.592 118.768 119.300 0.100 0.000 3.311 337 C HA 1.025 5.484 4.460 -0.002 0.000 0.325 337 C C 0.142 175.248 174.990 0.193 0.000 1.352 337 C CA -0.048 59.095 59.018 0.207 0.000 1.308 337 C CB 0.860 28.786 27.740 0.310 0.000 1.619 337 C HN 1.093 nan 8.230 nan 0.000 0.469 338 G N 0.546 109.484 108.800 0.231 0.000 2.364 338 G HA2 0.822 4.781 3.960 -0.002 0.000 0.286 338 G HA3 0.822 4.781 3.960 -0.002 0.000 0.286 338 G C -1.356 173.659 174.900 0.191 0.000 1.241 338 G CA -0.119 45.099 45.100 0.195 0.000 0.887 338 G HN 2.056 nan 8.290 nan 0.000 0.484 339 M N -1.763 117.903 119.600 0.109 0.000 2.833 339 M HA 0.820 5.299 4.480 -0.002 0.000 0.270 339 M C -2.088 174.216 176.300 0.005 0.000 1.209 339 M CA -1.044 54.263 55.300 0.012 0.000 0.826 339 M CB 2.006 34.528 32.600 -0.130 0.000 1.657 339 M HN 1.360 nan 8.290 nan 0.000 0.492 340 V N 2.294 122.192 119.914 -0.026 0.000 2.733 340 V HA 0.769 4.888 4.120 -0.002 0.000 0.306 340 V C -2.084 174.014 176.094 0.007 0.000 1.084 340 V CA -0.248 62.053 62.300 0.001 0.000 0.905 340 V CB 2.242 34.134 31.823 0.114 0.000 1.010 340 V HN 0.933 nan 8.190 nan 0.000 0.424 341 Y N 3.094 123.330 120.300 -0.107 0.000 2.446 341 Y HA 0.761 5.310 4.550 -0.001 0.000 0.345 341 Y C -0.247 175.602 175.900 -0.085 0.000 0.984 341 Y CA -1.079 56.942 58.100 -0.132 0.000 1.058 341 Y CB 1.480 39.813 38.460 -0.212 0.000 1.220 341 Y HN 0.586 nan 8.280 nan 0.000 0.455 342 E N 2.762 123.008 120.200 0.075 0.000 2.180 342 E HA 0.019 4.368 4.350 -0.002 0.000 0.283 342 E C 0.245 176.850 176.600 0.010 0.000 1.061 342 E CA 0.148 56.569 56.400 0.034 0.000 0.861 342 E CB 0.313 30.063 29.700 0.084 0.000 1.056 342 E HN 0.937 nan 8.360 nan 0.000 0.407 343 H N 3.724 122.707 119.070 -0.146 0.000 2.491 343 H HA -0.058 4.497 4.556 -0.002 0.000 0.290 343 H C 1.454 176.356 175.328 -0.710 0.000 1.050 343 H CA 1.376 57.229 56.048 -0.324 0.000 1.309 343 H CB 0.365 29.913 29.762 -0.357 0.000 1.392 343 H HN 0.608 nan 8.280 nan 0.000 0.554 344 A N 0.385 122.953 122.820 -0.420 0.000 1.877 344 A HA -0.089 4.230 4.320 -0.002 0.000 0.216 344 A C 2.583 180.051 177.584 -0.193 0.000 1.186 344 A CA 1.920 53.708 52.037 -0.415 0.000 0.620 344 A CB -0.677 18.264 19.000 -0.099 0.000 0.822 344 A HN 0.436 nan 8.150 nan 0.000 0.443 345 A N -1.579 121.190 122.820 -0.084 0.000 2.095 345 A HA 0.634 4.953 4.320 -0.002 0.000 0.212 345 A C 1.159 178.729 177.584 -0.023 0.000 1.162 345 A CA 0.951 52.973 52.037 -0.025 0.000 0.753 345 A CB -0.288 18.720 19.000 0.013 0.000 0.840 345 A HN 1.124 nan 8.150 nan 0.000 0.468 346 A N 0.291 123.091 122.820 -0.034 0.000 2.331 346 A HA 0.647 4.966 4.320 -0.002 0.000 0.320 346 A C -0.511 177.013 177.584 -0.100 0.000 1.138 346 A CA -0.526 51.464 52.037 -0.079 0.000 0.790 346 A CB 0.873 19.810 19.000 -0.106 0.000 1.206 346 A HN 0.131 nan 8.150 nan 0.000 0.470 347 E N 1.075 121.204 120.200 -0.118 0.000 2.254 347 E HA 0.444 4.793 4.350 -0.002 0.000 0.261 347 E C 1.472 177.941 176.600 -0.218 0.000 1.051 347 E CA 0.278 56.650 56.400 -0.047 0.000 0.902 347 E CB 1.491 31.192 29.700 0.001 0.000 1.168 347 E HN 0.678 nan 8.360 nan 0.000 0.423 348 G N 1.638 110.373 108.800 -0.108 0.000 2.421 348 G HA2 -0.174 3.785 3.960 -0.002 0.000 0.216 348 G HA3 -0.174 3.785 3.960 -0.002 0.000 0.216 348 G C -1.081 173.687 174.900 -0.220 0.000 1.171 348 G CA 0.562 45.557 45.100 -0.174 0.000 0.775 348 G HN 0.398 nan 8.290 nan 0.000 0.543 349 P HA -0.111 nan 4.420 nan 0.000 0.215 349 P C -1.268 175.868 177.300 -0.273 0.000 1.163 349 P CA 2.082 65.079 63.100 -0.172 0.000 0.894 349 P CB -0.770 30.846 31.700 -0.141 0.000 0.791 350 P HA -0.111 nan 4.420 nan 0.000 0.217 350 P C 1.474 178.592 177.300 -0.304 0.000 1.150 350 P CA 1.147 63.903 63.100 -0.573 0.000 0.832 350 P CB -0.526 30.803 31.700 -0.618 0.000 0.787 351 I N -0.943 119.395 120.570 -0.387 0.000 2.179 351 I HA -0.155 4.014 4.170 -0.002 0.000 0.242 351 I C 2.312 178.268 176.117 -0.269 0.000 1.088 351 I CA 1.415 62.465 61.300 -0.417 0.000 1.357 351 I CB -1.554 36.004 38.000 -0.736 0.000 1.051 351 I HN -0.133 nan 8.210 nan 0.000 0.409 352 V N 1.523 121.313 119.914 -0.206 0.000 2.287 352 V HA -0.296 3.823 4.120 -0.002 0.000 0.248 352 V C 2.866 178.914 176.094 -0.076 0.000 1.053 352 V CA 2.006 64.239 62.300 -0.112 0.000 1.027 352 V CB -1.163 30.618 31.823 -0.070 0.000 0.646 352 V HN 0.473 nan 8.190 nan 0.000 0.447 353 A N -0.493 122.308 122.820 -0.031 0.000 1.908 353 A HA -0.223 4.096 4.320 -0.002 0.000 0.218 353 A C 2.276 179.738 177.584 -0.202 0.000 1.181 353 A CA 2.236 54.314 52.037 0.069 0.000 0.627 353 A CB -0.593 18.648 19.000 0.402 0.000 0.818 353 A HN 0.524 nan 8.150 nan 0.000 0.445 354 L N -0.309 120.602 121.223 -0.519 0.000 2.017 354 L HA -0.136 4.203 4.340 -0.002 0.000 0.208 354 L C 2.395 179.000 176.870 -0.442 0.000 1.073 354 L CA 1.584 55.817 54.840 -1.012 0.000 0.745 354 L CB -0.257 41.334 42.059 -0.779 0.000 0.894 354 L HN 0.217 nan 8.230 nan 0.000 0.432 355 V N 0.331 120.113 119.914 -0.220 0.000 2.255 355 V HA -0.319 3.800 4.120 -0.002 0.000 0.247 355 V C 2.236 178.302 176.094 -0.047 0.000 1.051 355 V CA 2.203 64.452 62.300 -0.085 0.000 1.018 355 V CB -0.706 31.093 31.823 -0.040 0.000 0.641 355 V HN 0.511 nan 8.190 nan 0.000 0.445 356 D N -1.272 119.110 120.400 -0.031 0.000 2.123 356 D HA -0.193 4.446 4.640 -0.002 0.000 0.196 356 D C 2.096 178.417 176.300 0.034 0.000 0.992 356 D CA 1.478 55.486 54.000 0.014 0.000 0.833 356 D CB -0.381 40.439 40.800 0.034 0.000 0.954 356 D HN 0.532 nan 8.370 nan 0.000 0.455 357 H N 0.617 119.650 119.070 -0.061 0.000 2.326 357 H HA -0.048 4.507 4.556 -0.002 0.000 0.301 357 H C 2.091 177.422 175.328 0.006 0.000 1.081 357 H CA 1.043 57.092 56.048 0.003 0.000 1.334 357 H CB -0.032 29.752 29.762 0.037 0.000 1.385 357 H HN -0.050 nan 8.280 nan 0.000 0.504 358 V N 1.341 121.285 119.914 0.049 0.000 2.307 358 V HA -0.265 3.854 4.120 -0.002 0.000 0.245 358 V C 2.836 178.946 176.094 0.027 0.000 1.045 358 V CA 1.583 63.878 62.300 -0.008 0.000 1.024 358 V CB -0.487 31.230 31.823 -0.176 0.000 0.651 358 V HN 0.356 nan 8.190 nan 0.000 0.449 359 M N -0.412 119.206 119.600 0.031 0.000 2.213 359 M HA -0.173 4.306 4.480 -0.002 0.000 0.263 359 M C 2.122 178.458 176.300 0.061 0.000 1.062 359 M CA 1.578 56.924 55.300 0.077 0.000 1.105 359 M CB -1.179 31.465 32.600 0.074 0.000 1.385 359 M HN 0.540 nan 8.290 nan 0.000 0.417 360 E N -0.720 119.489 120.200 0.016 0.000 2.046 360 E HA -0.216 4.133 4.350 -0.002 0.000 0.190 360 E C 2.061 178.649 176.600 -0.020 0.000 0.982 360 E CA 0.798 57.188 56.400 -0.016 0.000 0.800 360 E CB -0.201 29.462 29.700 -0.062 0.000 0.756 360 E HN 0.441 nan 8.360 nan 0.000 0.449 361 Y N 1.678 121.888 120.300 -0.149 0.000 2.193 361 Y HA -0.248 4.300 4.550 -0.002 0.000 0.285 361 Y C 2.460 178.326 175.900 -0.057 0.000 1.166 361 Y CA 2.345 60.372 58.100 -0.122 0.000 1.181 361 Y CB -0.452 37.937 38.460 -0.118 0.000 0.976 361 Y HN 0.198 nan 8.280 nan 0.000 0.520 362 T N -2.860 111.779 114.554 0.142 0.000 3.098 362 T HA -0.076 4.273 4.350 -0.002 0.000 0.266 362 T C 1.428 176.165 174.700 0.061 0.000 1.145 362 T CA 1.252 63.425 62.100 0.122 0.000 1.092 362 T CB -0.214 68.778 68.868 0.206 0.000 0.908 362 T HN 0.362 nan 8.240 nan 0.000 0.526 363 K N 0.199 120.598 120.400 -0.001 0.000 2.370 363 K HA 0.221 4.540 4.320 -0.002 0.000 0.194 363 K C 0.541 177.094 176.600 -0.078 0.000 1.070 363 K CA -0.107 56.169 56.287 -0.019 0.000 0.998 363 K CB 0.430 32.925 32.500 -0.008 0.000 0.911 363 K HN 0.300 nan 8.250 nan 0.000 0.533 364 K N 2.194 122.499 120.400 -0.159 0.000 2.414 364 K HA 0.046 4.365 4.320 -0.002 0.000 0.272 364 K C -2.530 173.969 176.600 -0.169 0.000 0.993 364 K CA -1.297 54.868 56.287 -0.203 0.000 0.964 364 K CB 0.040 32.323 32.500 -0.363 0.000 0.925 364 K HN -0.167 nan 8.250 nan 0.000 0.487 365 P HA 0.001 nan 4.420 nan 0.000 0.265 365 P C -0.962 176.278 177.300 -0.099 0.000 1.222 365 P CA 0.152 63.198 63.100 -0.091 0.000 0.767 365 P CB 0.427 32.086 31.700 -0.068 0.000 0.801 366 E N 2.397 122.549 120.200 -0.080 0.000 2.384 366 E HA 0.083 4.432 4.350 -0.002 0.000 0.266 366 E C 0.244 176.816 176.600 -0.046 0.000 1.012 366 E CA -0.276 56.085 56.400 -0.065 0.000 0.901 366 E CB 0.410 30.083 29.700 -0.046 0.000 0.967 366 E HN 0.381 nan 8.360 nan 0.000 0.435 367 L N 2.325 123.528 121.223 -0.035 0.000 2.476 367 L HA 0.106 4.445 4.340 -0.002 0.000 0.255 367 L C 0.393 177.253 176.870 -0.016 0.000 1.218 367 L CA -0.802 54.024 54.840 -0.022 0.000 0.819 367 L CB 0.111 42.164 42.059 -0.010 0.000 1.119 367 L HN 0.379 nan 8.230 nan 0.000 0.485 368 V N -0.419 119.488 119.914 -0.013 0.000 2.694 368 V HA 0.071 4.190 4.120 -0.002 0.000 0.306 368 V C 0.503 176.594 176.094 -0.006 0.000 1.054 368 V CA -0.750 61.543 62.300 -0.011 0.000 1.161 368 V CB -0.066 31.752 31.823 -0.009 0.000 0.916 368 V HN 0.588 nan 8.190 nan 0.000 0.490 369 R N 3.797 124.292 120.500 -0.008 0.000 2.399 369 R HA 0.248 4.588 4.340 -0.002 0.000 0.324 369 R C 0.360 176.661 176.300 0.002 0.000 1.030 369 R CA 0.355 56.453 56.100 -0.003 0.000 0.984 369 R CB -0.131 30.164 30.300 -0.008 0.000 0.961 369 R HN 0.925 nan 8.270 nan 0.000 0.433 370 S N 4.896 120.601 115.700 0.008 0.000 2.565 370 S HA 0.259 4.728 4.470 -0.002 0.000 0.276 370 S C -1.839 172.766 174.600 0.008 0.000 1.326 370 S CA -0.972 57.232 58.200 0.007 0.000 1.045 370 S CB 0.608 63.813 63.200 0.009 0.000 0.918 370 S HN 0.360 nan 8.310 nan 0.000 0.505 371 P HA -0.013 nan 4.420 nan 0.000 0.268 371 P C -0.546 176.758 177.300 0.007 0.000 1.189 371 P CA 0.279 63.382 63.100 0.004 0.000 0.771 371 P CB 0.339 32.039 31.700 -0.001 0.000 0.822 372 M N 2.604 122.212 119.600 0.013 0.000 2.404 372 M HA 0.368 4.847 4.480 -0.002 0.000 0.338 372 M C -0.391 175.915 176.300 0.011 0.000 1.150 372 M CA -0.967 54.345 55.300 0.020 0.000 1.016 372 M CB 1.261 33.883 32.600 0.038 0.000 1.672 372 M HN 0.152 nan 8.290 nan 0.000 0.448 373 V N 2.152 122.068 119.914 0.004 0.000 3.109 373 V HA 0.713 4.832 4.120 -0.002 0.000 0.317 373 V C -2.555 173.551 176.094 0.020 0.000 1.074 373 V CA -1.699 60.598 62.300 -0.005 0.000 1.033 373 V CB -0.047 31.749 31.823 -0.045 0.000 1.111 373 V HN 0.729 nan 8.190 nan 0.000 0.458 374 P HA 0.480 nan 4.420 nan 0.000 0.269 374 P C -1.026 176.301 177.300 0.046 0.000 1.215 374 P CA -0.013 63.103 63.100 0.027 0.000 0.780 374 P CB 0.314 32.025 31.700 0.019 0.000 0.898 375 L N 2.809 124.057 121.223 0.043 0.000 2.422 375 L HA 0.520 4.859 4.340 -0.002 0.000 0.264 375 L C -2.134 174.753 176.870 0.028 0.000 0.984 375 L CA -2.092 52.778 54.840 0.050 0.000 0.819 375 L CB 2.231 44.319 42.059 0.047 0.000 1.330 375 L HN 0.314 nan 8.230 nan 0.000 0.410 376 P HA 0.175 nan 4.420 nan 0.000 0.274 376 P C -0.861 176.444 177.300 0.009 0.000 1.256 376 P CA -0.679 62.431 63.100 0.016 0.000 0.795 376 P CB 0.857 32.567 31.700 0.017 0.000 1.038 377 M N 1.787 121.393 119.600 0.010 0.000 2.162 377 M HA 0.350 4.829 4.480 -0.002 0.000 0.356 377 M C -2.432 173.885 176.300 0.028 0.000 1.303 377 M CA -2.263 53.044 55.300 0.013 0.000 1.116 377 M CB -0.300 32.311 32.600 0.019 0.000 1.632 377 M HN 0.077 nan 8.290 nan 0.000 0.469 378 P HA 0.069 nan 4.420 nan 0.000 0.268 378 P C -1.389 176.008 177.300 0.162 0.000 1.204 378 P CA -0.068 63.078 63.100 0.078 0.000 0.768 378 P CB 0.338 32.071 31.700 0.055 0.000 0.842 379 K N 3.542 124.003 120.400 0.102 0.000 2.379 379 K HA 0.061 4.380 4.320 -0.002 0.000 0.284 379 K C 0.085 176.701 176.600 0.027 0.000 1.044 379 K CA -0.297 56.019 56.287 0.049 0.000 0.974 379 K CB 0.314 32.790 32.500 -0.041 0.000 0.962 379 K HN 0.278 nan 8.250 nan 0.000 0.474 380 K N 5.333 125.685 120.400 -0.080 0.000 2.322 380 K HA 0.118 4.437 4.320 -0.002 0.000 0.283 380 K C -0.570 175.805 176.600 -0.376 0.000 1.042 380 K CA -0.335 55.663 56.287 -0.481 0.000 0.958 380 K CB 0.490 32.723 32.500 -0.444 0.000 0.984 380 K HN 0.569 nan 8.250 nan 0.000 0.473 381 L N 6.591 127.557 121.223 -0.429 0.000 2.328 381 L HA 0.300 4.639 4.340 -0.002 0.000 0.280 381 L C 0.441 177.015 176.870 -0.494 0.000 1.111 381 L CA -0.487 54.113 54.840 -0.400 0.000 0.909 381 L CB 0.378 42.227 42.059 -0.350 0.000 1.277 381 L HN 0.539 nan 8.230 nan 0.000 0.433 382 R N 1.971 122.219 120.500 -0.419 0.000 2.679 382 R HA 0.464 4.803 4.340 -0.002 0.000 0.269 382 R C -1.081 174.918 176.300 -0.502 0.000 1.076 382 R CA -0.149 55.757 56.100 -0.324 0.000 1.160 382 R CB 0.777 30.970 30.300 -0.177 0.000 1.054 382 R HN 0.183 nan 8.270 nan 0.000 0.507 383 F N 0.396 120.341 119.950 -0.008 0.000 2.536 383 F HA 0.249 4.775 4.527 -0.001 0.000 0.322 383 F C -0.006 175.805 175.800 0.018 0.000 1.144 383 F CA -0.966 57.042 58.000 0.014 0.000 0.924 383 F CB 1.583 40.617 39.000 0.056 0.000 1.181 383 F HN 0.267 nan 8.300 nan 0.000 0.438 384 N N 4.614 123.431 118.700 0.194 0.000 2.401 384 N HA 0.237 4.976 4.740 -0.002 0.000 0.255 384 N C -0.427 175.157 175.510 0.124 0.000 1.110 384 N CA -0.162 52.957 53.050 0.116 0.000 0.949 384 N CB 1.019 39.545 38.487 0.066 0.000 1.110 384 N HN 0.304 nan 8.380 nan 0.000 0.490 385 I N 1.816 122.448 120.570 0.103 0.000 2.519 385 I HA 0.187 4.356 4.170 -0.002 0.000 0.287 385 I C 1.305 177.455 176.117 0.055 0.000 1.047 385 I CA -0.203 61.146 61.300 0.081 0.000 1.381 385 I CB 0.503 38.547 38.000 0.073 0.000 1.417 385 I HN 0.407 nan 8.210 nan 0.000 0.540 386 T N 2.592 117.174 114.554 0.046 0.000 2.887 386 T HA 0.497 4.846 4.350 -0.002 0.000 0.292 386 T C -2.278 172.439 174.700 0.028 0.000 1.087 386 T CA -1.721 60.399 62.100 0.033 0.000 1.009 386 T CB 2.006 70.893 68.868 0.031 0.000 1.203 386 T HN 0.199 nan 8.240 nan 0.000 0.518 387 P HA -0.026 nan 4.420 nan 0.000 0.218 387 P C 1.361 178.672 177.300 0.017 0.000 1.148 387 P CA 0.862 63.973 63.100 0.017 0.000 0.822 387 P CB 0.218 31.926 31.700 0.013 0.000 0.784 388 E N -0.380 119.831 120.200 0.019 0.000 2.047 388 E HA -0.143 4.206 4.350 -0.002 0.000 0.191 388 E C 1.925 178.541 176.600 0.027 0.000 0.987 388 E CA 0.928 57.341 56.400 0.021 0.000 0.799 388 E CB -0.416 29.295 29.700 0.019 0.000 0.752 388 E HN 0.143 nan 8.360 nan 0.000 0.449 389 I N 0.878 121.467 120.570 0.032 0.000 2.226 389 I HA -0.256 3.913 4.170 -0.002 0.000 0.245 389 I C 2.536 178.668 176.117 0.024 0.000 1.100 389 I CA 1.018 62.340 61.300 0.037 0.000 1.374 389 I CB -0.243 37.782 38.000 0.043 0.000 1.057 389 I HN 0.043 nan 8.210 nan 0.000 0.413 390 K N 1.731 122.144 120.400 0.022 0.000 2.063 390 K HA -0.246 4.073 4.320 -0.002 0.000 0.208 390 K C 1.801 178.406 176.600 0.007 0.000 1.048 390 K CA 1.956 58.252 56.287 0.014 0.000 0.928 390 K CB -0.472 32.038 32.500 0.017 0.000 0.713 390 K HN 0.159 nan 8.250 nan 0.000 0.442 391 N N 0.664 119.370 118.700 0.011 0.000 2.120 391 N HA -0.142 4.597 4.740 -0.002 0.000 0.188 391 N C 1.093 176.607 175.510 0.007 0.000 1.024 391 N CA 1.804 54.858 53.050 0.007 0.000 0.852 391 N CB -0.290 38.203 38.487 0.009 0.000 1.003 391 N HN 0.251 nan 8.380 nan 0.000 0.424 392 D N -0.016 120.395 120.400 0.018 0.000 2.144 392 D HA -0.086 4.553 4.640 -0.002 0.000 0.199 392 D C 1.970 178.271 176.300 0.001 0.000 0.984 392 D CA 0.688 54.705 54.000 0.028 0.000 0.834 392 D CB -0.138 40.701 40.800 0.065 0.000 0.955 392 D HN 0.422 nan 8.370 nan 0.000 0.465 393 I N 1.175 121.736 120.570 -0.014 0.000 2.202 393 I HA -0.205 3.964 4.170 -0.002 0.000 0.242 393 I C 2.291 178.380 176.117 -0.046 0.000 1.091 393 I CA 0.912 62.185 61.300 -0.046 0.000 1.368 393 I CB -0.076 37.897 38.000 -0.045 0.000 1.058 393 I HN -0.117 nan 8.210 nan 0.000 0.410 394 E N 1.184 121.368 120.200 -0.028 0.000 2.110 394 E HA -0.217 4.132 4.350 -0.002 0.000 0.193 394 E C 2.105 178.688 176.600 -0.029 0.000 0.988 394 E CA 1.219 57.603 56.400 -0.027 0.000 0.804 394 E CB -0.214 29.476 29.700 -0.016 0.000 0.745 394 E HN 0.505 nan 8.360 nan 0.000 0.458 395 K N 0.474 120.860 120.400 -0.022 0.000 2.097 395 K HA -0.016 4.303 4.320 -0.002 0.000 0.205 395 K C 2.141 178.722 176.600 -0.032 0.000 1.050 395 K CA 1.036 57.310 56.287 -0.021 0.000 0.938 395 K CB -0.077 32.419 32.500 -0.008 0.000 0.718 395 K HN 0.038 nan 8.250 nan 0.000 0.442 396 A N 1.878 124.671 122.820 -0.045 0.000 1.930 396 A HA -0.173 4.146 4.320 -0.002 0.000 0.217 396 A C 1.853 179.391 177.584 -0.076 0.000 1.175 396 A CA 1.385 53.379 52.037 -0.073 0.000 0.627 396 A CB -0.223 18.709 19.000 -0.114 0.000 0.815 396 A HN 0.167 nan 8.150 nan 0.000 0.443 397 K N -0.452 119.906 120.400 -0.070 0.000 2.057 397 K HA -0.180 4.139 4.320 -0.002 0.000 0.207 397 K C 2.330 178.898 176.600 -0.054 0.000 1.049 397 K CA 1.702 57.949 56.287 -0.067 0.000 0.931 397 K CB -0.218 32.245 32.500 -0.062 0.000 0.714 397 K HN 0.613 nan 8.250 nan 0.000 0.440 398 Q N 0.456 120.230 119.800 -0.044 0.000 2.084 398 Q HA -0.190 4.149 4.340 -0.002 0.000 0.202 398 Q C 1.992 177.970 176.000 -0.038 0.000 0.978 398 Q CA 1.647 57.428 55.803 -0.036 0.000 0.844 398 Q CB -0.216 28.504 28.738 -0.030 0.000 0.898 398 Q HN 0.298 nan 8.270 nan 0.000 0.426 399 N N 0.605 119.282 118.700 -0.040 0.000 2.084 399 N HA -0.183 4.556 4.740 -0.002 0.000 0.190 399 N C 1.616 177.098 175.510 -0.046 0.000 1.030 399 N CA 0.746 53.774 53.050 -0.035 0.000 0.849 399 N CB -0.156 38.313 38.487 -0.028 0.000 1.012 399 N HN 0.124 nan 8.380 nan 0.000 0.423 400 L N 0.210 121.392 121.223 -0.068 0.000 2.083 400 L HA -0.015 4.324 4.340 -0.002 0.000 0.209 400 L C 2.343 179.157 176.870 -0.095 0.000 1.083 400 L CA 1.568 56.350 54.840 -0.096 0.000 0.752 400 L CB -1.240 40.758 42.059 -0.101 0.000 0.899 400 L HN 0.262 nan 8.230 nan 0.000 0.433 401 S N -0.766 114.896 115.700 -0.064 0.000 2.368 401 S HA -0.160 4.309 4.470 -0.002 0.000 0.225 401 S C 2.037 176.608 174.600 -0.048 0.000 1.030 401 S CA 1.566 59.736 58.200 -0.050 0.000 0.999 401 S CB -0.368 62.813 63.200 -0.032 0.000 0.844 401 S HN 0.495 nan 8.310 nan 0.000 0.459 402 I N 0.960 121.507 120.570 -0.039 0.000 2.179 402 I HA -0.217 3.952 4.170 -0.002 0.000 0.242 402 I C 2.587 178.690 176.117 -0.023 0.000 1.088 402 I CA 1.452 62.736 61.300 -0.026 0.000 1.357 402 I CB -0.373 37.614 38.000 -0.022 0.000 1.051 402 I HN 0.364 nan 8.210 nan 0.000 0.409 403 M N 0.278 119.860 119.600 -0.030 0.000 2.080 403 M HA -0.240 4.239 4.480 -0.002 0.000 0.260 403 M C 2.357 178.609 176.300 -0.080 0.000 1.068 403 M CA 2.073 57.364 55.300 -0.014 0.000 1.109 403 M CB -0.436 32.131 32.600 -0.055 0.000 1.342 403 M HN 0.178 nan 8.290 nan 0.000 0.405 404 I N -0.359 120.097 120.570 -0.190 0.000 2.252 404 I HA -0.293 3.876 4.170 -0.002 0.000 0.245 404 I C 2.394 178.437 176.117 -0.124 0.000 1.102 404 I CA 1.393 62.514 61.300 -0.300 0.000 1.385 404 I CB -0.497 37.254 38.000 -0.416 0.000 1.064 404 I HN 0.378 nan 8.210 nan 0.000 0.414 405 Q N 0.128 119.891 119.800 -0.062 0.000 2.234 405 Q HA -0.266 4.073 4.340 -0.002 0.000 0.206 405 Q C 1.442 177.450 176.000 0.013 0.000 0.980 405 Q CA 1.627 57.421 55.803 -0.016 0.000 0.869 405 Q CB -0.068 28.668 28.738 -0.004 0.000 0.912 405 Q HN 0.368 nan 8.270 nan 0.000 0.436 406 D N -0.753 119.669 120.400 0.037 0.000 2.349 406 D HA -0.012 4.627 4.640 -0.002 0.000 0.215 406 D C -0.560 175.849 176.300 0.183 0.000 1.016 406 D CA -0.034 54.029 54.000 0.104 0.000 0.870 406 D CB 0.341 41.206 40.800 0.107 0.000 0.917 406 D HN 0.006 nan 8.370 nan 0.000 0.524 407 L N 1.175 122.465 121.223 0.112 0.000 2.281 407 L HA 0.296 4.636 4.340 -0.002 0.000 0.285 407 L C -0.833 176.032 176.870 -0.008 0.000 1.074 407 L CA -0.228 54.653 54.840 0.069 0.000 0.817 407 L CB 1.278 43.359 42.059 0.037 0.000 1.168 407 L HN -0.189 nan 8.230 nan 0.000 0.434 408 D N 5.829 126.200 120.400 -0.049 0.000 2.441 408 D HA 0.354 4.993 4.640 -0.002 0.000 0.231 408 D C -0.817 175.439 176.300 -0.074 0.000 1.073 408 D CA -0.085 53.885 54.000 -0.050 0.000 0.850 408 D CB 0.418 41.200 40.800 -0.031 0.000 1.062 408 D HN 0.452 nan 8.370 nan 0.000 0.524 409 I N 3.290 123.810 120.570 -0.083 0.000 2.404 409 I HA 0.371 4.540 4.170 -0.002 0.000 0.293 409 I C -0.456 175.619 176.117 -0.070 0.000 0.992 409 I CA -1.041 60.198 61.300 -0.102 0.000 1.149 409 I CB 1.742 39.633 38.000 -0.182 0.000 1.315 409 I HN 0.336 nan 8.210 nan 0.000 0.446 410 M N 8.229 127.810 119.600 -0.032 0.000 2.142 410 M HA 0.472 4.951 4.480 -0.002 0.000 0.299 410 M C -1.351 174.962 176.300 0.023 0.000 0.960 410 M CA -0.420 54.883 55.300 0.004 0.000 0.920 410 M CB 1.409 34.033 32.600 0.040 0.000 1.541 410 M HN 0.316 nan 8.290 nan 0.000 0.429 411 M N 5.443 125.055 119.600 0.020 0.000 2.188 411 M HA 0.495 4.974 4.480 -0.002 0.000 0.357 411 M C -1.289 175.079 176.300 0.112 0.000 1.204 411 M CA -0.655 54.683 55.300 0.063 0.000 1.095 411 M CB 0.936 33.548 32.600 0.021 0.000 1.604 411 M HN 0.781 nan 8.290 nan 0.000 0.464 412 L N 3.344 124.678 121.223 0.185 0.000 2.376 412 L HA 0.534 4.873 4.340 -0.002 0.000 0.275 412 L C -0.679 176.364 176.870 0.288 0.000 0.987 412 L CA 0.194 55.165 54.840 0.218 0.000 0.828 412 L CB 1.988 44.178 42.059 0.219 0.000 1.249 412 L HN 0.665 nan 8.230 nan 0.000 0.409 413 T N 5.992 120.673 114.554 0.212 0.000 2.832 413 T HA 0.298 4.647 4.350 -0.002 0.000 0.313 413 T C -0.560 174.243 174.700 0.171 0.000 1.035 413 T CA 0.125 62.351 62.100 0.209 0.000 0.950 413 T CB -0.381 68.561 68.868 0.122 0.000 0.984 413 T HN 0.377 nan 8.240 nan 0.000 0.486 414 F N 5.986 126.011 119.950 0.125 0.000 2.439 414 F HA 0.182 4.708 4.527 -0.002 0.000 0.356 414 F C 1.723 177.489 175.800 -0.057 0.000 1.161 414 F CA -0.710 57.288 58.000 -0.004 0.000 1.151 414 F CB 0.169 39.276 39.000 0.177 0.000 1.222 414 F HN 0.689 nan 8.300 nan 0.000 0.558 415 H N 3.399 122.209 119.070 -0.433 0.000 2.563 415 H HA 0.017 4.572 4.556 -0.001 0.000 0.264 415 H C 1.036 176.077 175.328 -0.479 0.000 0.957 415 H CA 0.309 56.135 56.048 -0.370 0.000 1.173 415 H CB -0.248 29.300 29.762 -0.356 0.000 1.420 415 H HN 0.646 nan 8.280 nan 0.000 0.551 416 H N 1.643 120.373 119.070 -0.567 0.000 2.352 416 H HA -0.057 4.498 4.556 -0.002 0.000 0.299 416 H C 0.381 175.737 175.328 0.046 0.000 1.097 416 H CA 1.776 57.630 56.048 -0.322 0.000 1.311 416 H CB -0.061 29.302 29.762 -0.665 0.000 1.377 416 H HN 0.466 nan 8.280 nan 0.000 0.504 417 F N -2.993 117.046 119.950 0.149 0.000 2.842 417 F HA 0.584 5.110 4.527 -0.002 0.000 0.319 417 F C 0.021 176.041 175.800 0.366 0.000 1.159 417 F CA -0.642 57.519 58.000 0.268 0.000 0.902 417 F CB 0.832 39.986 39.000 0.258 0.000 1.311 417 F HN -0.005 nan 8.300 nan 0.000 0.453 418 G N 0.583 109.698 108.800 0.524 0.000 3.356 418 G HA2 0.316 4.275 3.960 -0.002 0.000 0.178 418 G HA3 0.316 4.275 3.960 -0.002 0.000 0.178 418 G C -0.147 174.941 174.900 0.313 0.000 1.130 418 G CA -0.706 44.582 45.100 0.315 0.000 0.800 418 G HN 0.661 nan 8.290 nan 0.000 0.669 419 K N 0.622 121.111 120.400 0.149 0.000 2.283 419 K HA -0.060 4.259 4.320 -0.002 0.000 0.202 419 K C 2.126 178.761 176.600 0.059 0.000 1.048 419 K CA 1.493 57.832 56.287 0.087 0.000 0.948 419 K CB -0.021 32.507 32.500 0.048 0.000 0.742 419 K HN 0.522 nan 8.250 nan 0.000 0.458 420 D N 1.018 121.482 120.400 0.107 0.000 2.116 420 D HA -0.256 4.384 4.640 -0.002 0.000 0.193 420 D C 1.768 178.077 176.300 0.016 0.000 0.998 420 D CA 1.246 55.290 54.000 0.073 0.000 0.836 420 D CB -0.709 40.161 40.800 0.117 0.000 0.951 420 D HN 0.179 nan 8.370 nan 0.000 0.449 421 F N 2.104 121.989 119.950 -0.109 0.000 2.075 421 F HA 0.034 4.560 4.527 -0.001 0.000 0.297 421 F C -0.905 174.672 175.800 -0.371 0.000 1.113 421 F CA 0.664 58.464 58.000 -0.333 0.000 1.218 421 F CB -1.365 37.155 39.000 -0.800 0.000 0.984 421 F HN -0.017 nan 8.300 nan 0.000 0.472 422 P HA -0.206 nan 4.420 nan 0.000 0.215 422 P C 1.317 178.348 177.300 -0.448 0.000 1.157 422 P CA 2.377 65.031 63.100 -0.744 0.000 0.874 422 P CB -0.159 31.260 31.700 -0.468 0.000 0.790 423 K N -0.259 119.980 120.400 -0.269 0.000 2.209 423 K HA -0.090 4.229 4.320 -0.002 0.000 0.204 423 K C 2.177 178.664 176.600 -0.189 0.000 1.048 423 K CA 1.770 57.957 56.287 -0.166 0.000 0.940 423 K CB -0.485 31.965 32.500 -0.084 0.000 0.729 423 K HN 0.243 nan 8.250 nan 0.000 0.451 424 S N 0.676 116.217 115.700 -0.265 0.000 2.489 424 S HA -0.033 4.436 4.470 -0.002 0.000 0.228 424 S C 1.348 175.791 174.600 -0.262 0.000 0.995 424 S CA 0.649 58.718 58.200 -0.218 0.000 0.934 424 S CB 0.137 63.229 63.200 -0.180 0.000 0.771 424 S HN 0.151 nan 8.310 nan 0.000 0.522 425 E N 0.999 120.960 120.200 -0.399 0.000 2.465 425 E HA 0.162 4.511 4.350 -0.002 0.000 0.195 425 E C -0.307 176.179 176.600 -0.190 0.000 1.028 425 E CA -0.088 56.117 56.400 -0.325 0.000 0.899 425 E CB 0.166 29.567 29.700 -0.500 0.000 1.032 425 E HN 0.341 nan 8.360 nan 0.000 0.468 426 K N 0.150 120.455 120.400 -0.159 0.000 3.096 426 K HA -0.184 4.135 4.320 -0.002 0.000 0.266 426 K C -0.301 176.255 176.600 -0.072 0.000 1.043 426 K CA 0.574 56.806 56.287 -0.091 0.000 0.758 426 K CB -2.256 30.209 32.500 -0.060 0.000 1.260 426 K HN 0.233 nan 8.250 nan 0.000 0.481 427 L N -0.123 121.042 121.223 -0.097 0.000 2.381 427 L HA 0.332 4.671 4.340 -0.002 0.000 0.268 427 L C 0.738 177.604 176.870 -0.007 0.000 0.997 427 L CA -0.895 53.925 54.840 -0.033 0.000 0.818 427 L CB 2.020 44.075 42.059 -0.006 0.000 1.310 427 L HN 0.092 nan 8.230 nan 0.000 0.416 428 S N 2.288 118.019 115.700 0.051 0.000 2.516 428 S HA 0.165 4.634 4.470 -0.002 0.000 0.282 428 S C -1.678 172.989 174.600 0.111 0.000 1.286 428 S CA -0.930 57.315 58.200 0.075 0.000 1.066 428 S CB 0.882 64.145 63.200 0.105 0.000 0.884 428 S HN 0.372 nan 8.310 nan 0.000 0.491 429 P HA -0.078 nan 4.420 nan 0.000 0.215 429 P C 0.927 178.336 177.300 0.182 0.000 1.153 429 P CA 1.026 64.196 63.100 0.116 0.000 0.853 429 P CB 0.101 31.849 31.700 0.079 0.000 0.788 430 D N -0.699 119.806 120.400 0.175 0.000 2.117 430 D HA -0.138 4.501 4.640 -0.002 0.000 0.197 430 D C 1.924 178.306 176.300 0.137 0.000 0.987 430 D CA 1.385 55.511 54.000 0.210 0.000 0.829 430 D CB -0.589 40.353 40.800 0.237 0.000 0.961 430 D HN -0.046 nan 8.370 nan 0.000 0.460 431 A N -0.470 122.446 122.820 0.159 0.000 1.902 431 A HA -0.113 4.206 4.320 -0.002 0.000 0.217 431 A C 2.157 179.727 177.584 -0.024 0.000 1.181 431 A CA 1.152 53.235 52.037 0.077 0.000 0.623 431 A CB -1.187 17.938 19.000 0.210 0.000 0.818 431 A HN 0.434 nan 8.150 nan 0.000 0.443 432 F N 0.699 120.623 119.950 -0.043 0.000 2.095 432 F HA -0.187 4.339 4.527 -0.001 0.000 0.298 432 F C 1.994 177.760 175.800 -0.057 0.000 1.104 432 F CA 1.947 59.929 58.000 -0.030 0.000 1.232 432 F CB -0.216 38.807 39.000 0.038 0.000 0.987 432 F HN 0.189 nan 8.300 nan 0.000 0.475 433 I N -0.025 120.628 120.570 0.139 0.000 2.179 433 I HA -0.319 3.850 4.170 -0.002 0.000 0.242 433 I C 2.456 178.443 176.117 -0.217 0.000 1.088 433 I CA 1.106 62.366 61.300 -0.067 0.000 1.357 433 I CB -0.674 37.157 38.000 -0.281 0.000 1.051 433 I HN 0.219 nan 8.210 nan 0.000 0.409 434 Q N 0.327 119.976 119.800 -0.252 0.000 2.096 434 Q HA -0.159 4.180 4.340 -0.002 0.000 0.204 434 Q C 2.524 178.375 176.000 -0.248 0.000 0.982 434 Q CA 1.478 57.105 55.803 -0.294 0.000 0.850 434 Q CB -0.533 27.827 28.738 -0.630 0.000 0.901 434 Q HN 0.420 nan 8.270 nan 0.000 0.422 435 V N 1.131 120.881 119.914 -0.275 0.000 2.427 435 V HA -0.234 3.885 4.120 -0.002 0.000 0.248 435 V C 2.408 178.439 176.094 -0.105 0.000 1.051 435 V CA 1.603 63.802 62.300 -0.168 0.000 1.048 435 V CB -1.054 30.626 31.823 -0.239 0.000 0.666 435 V HN 0.318 nan 8.190 nan 0.000 0.456 436 A N 0.059 122.747 122.820 -0.219 0.000 1.908 436 A HA -0.220 4.099 4.320 -0.002 0.000 0.218 436 A C 2.172 179.700 177.584 -0.092 0.000 1.181 436 A CA 2.166 54.103 52.037 -0.165 0.000 0.627 436 A CB -0.600 18.262 19.000 -0.230 0.000 0.818 436 A HN 0.465 nan 8.150 nan 0.000 0.445 437 L N -0.531 120.625 121.223 -0.111 0.000 2.046 437 L HA -0.186 4.153 4.340 -0.002 0.000 0.208 437 L C 2.344 179.237 176.870 0.039 0.000 1.077 437 L CA 2.173 56.976 54.840 -0.062 0.000 0.747 437 L CB -0.670 41.352 42.059 -0.061 0.000 0.896 437 L HN 0.362 nan 8.230 nan 0.000 0.432 438 Q N -0.626 119.200 119.800 0.043 0.000 2.084 438 Q HA -0.192 4.147 4.340 -0.002 0.000 0.202 438 Q C 2.277 178.379 176.000 0.170 0.000 0.978 438 Q CA 1.831 57.704 55.803 0.116 0.000 0.844 438 Q CB -0.701 28.093 28.738 0.093 0.000 0.898 438 Q HN 0.518 nan 8.270 nan 0.000 0.426 439 L N 0.623 121.914 121.223 0.113 0.000 2.056 439 L HA -0.049 4.290 4.340 -0.002 0.000 0.207 439 L C 2.139 179.087 176.870 0.130 0.000 1.078 439 L CA 2.084 56.973 54.840 0.082 0.000 0.749 439 L CB -0.916 41.169 42.059 0.043 0.000 0.901 439 L HN 0.110 nan 8.230 nan 0.000 0.433 440 A N -1.290 121.590 122.820 0.101 0.000 1.883 440 A HA -0.304 4.015 4.320 -0.002 0.000 0.217 440 A C 2.330 179.974 177.584 0.099 0.000 1.186 440 A CA 1.966 54.072 52.037 0.114 0.000 0.624 440 A CB -1.296 17.727 19.000 0.037 0.000 0.822 440 A HN 0.632 nan 8.150 nan 0.000 0.444 441 Y N -1.545 118.777 120.300 0.037 0.000 2.145 441 Y HA -0.277 4.274 4.550 0.002 0.000 0.286 441 Y C 2.285 178.274 175.900 0.148 0.000 1.145 441 Y CA 2.243 60.400 58.100 0.095 0.000 1.148 441 Y CB -0.561 37.980 38.460 0.135 0.000 0.981 441 Y HN 0.432 nan 8.280 nan 0.000 0.507 442 Y N 0.842 121.259 120.300 0.194 0.000 2.181 442 Y HA -0.238 4.314 4.550 0.002 0.000 0.288 442 Y C 2.477 178.366 175.900 -0.018 0.000 1.146 442 Y CA 1.938 60.103 58.100 0.108 0.000 1.164 442 Y CB -0.332 38.178 38.460 0.083 0.000 0.982 442 Y HN 0.017 nan 8.280 nan 0.000 0.515 443 R N -0.313 120.243 120.500 0.093 0.000 2.120 443 R HA -0.145 4.194 4.340 -0.002 0.000 0.234 443 R C 2.114 178.320 176.300 -0.157 0.000 1.123 443 R CA 1.862 57.990 56.100 0.048 0.000 0.975 443 R CB -0.307 30.129 30.300 0.227 0.000 0.866 443 R HN 0.423 nan 8.270 nan 0.000 0.446 444 I N -1.454 118.849 120.570 -0.445 0.000 2.339 444 I HA -0.182 3.987 4.170 -0.002 0.000 0.245 444 I C 1.188 176.784 176.117 -0.867 0.000 1.096 444 I CA 1.148 61.929 61.300 -0.865 0.000 1.408 444 I CB 0.056 37.260 38.000 -1.328 0.000 1.092 444 I HN 0.110 nan 8.210 nan 0.000 0.423 445 Y N 0.255 120.263 120.300 -0.487 0.000 2.449 445 Y HA 0.316 4.864 4.550 -0.003 0.000 0.254 445 Y C 1.814 177.498 175.900 -0.361 0.000 1.140 445 Y CA 0.314 58.170 58.100 -0.407 0.000 1.272 445 Y CB 0.411 38.566 38.460 -0.509 0.000 1.114 445 Y HN 0.250 nan 8.280 nan 0.000 0.525 446 G N 1.070 109.596 108.800 -0.456 0.000 2.155 446 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.257 446 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.257 446 G C -0.031 174.513 174.900 -0.593 0.000 0.983 446 G CA 0.640 45.325 45.100 -0.690 0.000 0.676 446 G HN 0.495 nan 8.290 nan 0.000 0.528 447 Q N -1.905 117.737 119.800 -0.264 0.000 2.633 447 Q HA 0.778 5.117 4.340 -0.002 0.000 0.289 447 Q C -0.380 175.885 176.000 0.441 0.000 0.940 447 Q CA -0.539 55.372 55.803 0.180 0.000 0.785 447 Q CB 0.832 29.658 28.738 0.146 0.000 1.467 447 Q HN 1.331 nan 8.270 nan 0.000 0.401 448 A N 0.353 123.424 122.820 0.418 0.000 2.242 448 A HA 0.867 5.186 4.320 -0.002 0.000 0.304 448 A C 0.039 177.743 177.584 0.200 0.000 1.100 448 A CA 0.083 52.324 52.037 0.341 0.000 0.860 448 A CB 0.685 19.822 19.000 0.229 0.000 1.168 448 A HN 1.182 nan 8.150 nan 0.000 0.503 449 C N -1.961 117.329 119.300 -0.015 0.000 3.090 449 C HA 0.849 5.308 4.460 -0.002 0.000 0.305 449 C C 0.388 175.369 174.990 -0.014 0.000 1.292 449 C CA -0.512 58.466 59.018 -0.066 0.000 1.482 449 C CB 0.658 28.222 27.740 -0.294 0.000 1.897 449 C HN 1.797 nan 8.230 nan 0.000 0.469 450 A N 2.011 124.864 122.820 0.055 0.000 2.548 450 A HA 0.509 4.828 4.320 -0.002 0.000 0.247 450 A C 0.415 178.192 177.584 0.322 0.000 1.067 450 A CA 0.811 52.939 52.037 0.150 0.000 0.757 450 A CB -0.498 18.478 19.000 -0.041 0.000 0.996 450 A HN 1.050 nan 8.150 nan 0.000 0.504 451 T N 2.351 117.140 114.554 0.392 0.000 2.861 451 T HA 0.490 4.839 4.350 -0.002 0.000 0.287 451 T C -1.132 173.677 174.700 0.182 0.000 1.003 451 T CA -0.073 62.203 62.100 0.294 0.000 0.977 451 T CB 0.990 69.922 68.868 0.107 0.000 0.996 451 T HN 0.515 nan 8.240 nan 0.000 0.448 452 Y N 2.144 122.288 120.300 -0.260 0.000 2.352 452 Y HA 0.594 5.143 4.550 -0.002 0.000 0.339 452 Y C -0.175 175.557 175.900 -0.281 0.000 0.992 452 Y CA -0.678 57.035 58.100 -0.646 0.000 1.100 452 Y CB 1.114 38.757 38.460 -1.363 0.000 1.192 452 Y HN 0.669 nan 8.280 nan 0.000 0.458 453 E N 4.274 124.107 120.200 -0.611 0.000 2.275 453 E HA 0.308 4.657 4.350 -0.002 0.000 0.270 453 E C -1.474 174.744 176.600 -0.636 0.000 0.882 453 E CA -0.738 55.461 56.400 -0.335 0.000 0.758 453 E CB 1.791 31.436 29.700 -0.092 0.000 1.195 453 E HN 0.607 nan 8.360 nan 0.000 0.419 454 S N 2.223 117.714 115.700 -0.348 0.000 2.549 454 S HA 0.552 5.021 4.470 -0.002 0.000 0.279 454 S C -0.595 173.889 174.600 -0.193 0.000 1.321 454 S CA -0.101 57.936 58.200 -0.271 0.000 1.054 454 S CB 0.574 63.781 63.200 0.011 0.000 0.899 454 S HN 0.533 nan 8.310 nan 0.000 0.497 455 A N 3.696 126.394 122.820 -0.204 0.000 2.342 455 A HA 0.663 4.982 4.320 -0.002 0.000 0.323 455 A C -0.055 177.483 177.584 -0.077 0.000 1.125 455 A CA -0.652 51.309 52.037 -0.126 0.000 0.785 455 A CB 1.446 20.361 19.000 -0.141 0.000 1.221 455 A HN 0.736 nan 8.150 nan 0.000 0.463 456 S N 1.426 117.108 115.700 -0.030 0.000 2.513 456 S HA 0.435 4.904 4.470 -0.002 0.000 0.276 456 S C 0.302 174.915 174.600 0.022 0.000 1.254 456 S CA -0.487 57.709 58.200 -0.006 0.000 1.053 456 S CB -0.030 63.174 63.200 0.006 0.000 0.958 456 S HN 0.579 nan 8.310 nan 0.000 0.491 457 L N 5.520 126.764 121.223 0.035 0.000 2.791 457 L HA 0.311 4.650 4.340 -0.002 0.000 0.239 457 L C 1.896 178.861 176.870 0.160 0.000 1.203 457 L CA -0.084 54.839 54.840 0.138 0.000 1.002 457 L CB -0.117 41.987 42.059 0.075 0.000 1.295 457 L HN 0.669 nan 8.230 nan 0.000 0.504 458 R N -0.126 120.414 120.500 0.066 0.000 2.341 458 R HA -0.047 4.292 4.340 -0.002 0.000 0.213 458 R C 1.858 178.140 176.300 -0.029 0.000 1.082 458 R CA 0.850 56.976 56.100 0.044 0.000 1.017 458 R CB -0.087 30.236 30.300 0.039 0.000 0.860 458 R HN 0.458 nan 8.270 nan 0.000 0.473 459 M N -0.265 119.243 119.600 -0.153 0.000 2.557 459 M HA -0.005 4.474 4.480 -0.002 0.000 0.259 459 M C -0.317 175.599 176.300 -0.641 0.000 1.086 459 M CA 1.095 56.133 55.300 -0.437 0.000 1.096 459 M CB 0.193 32.390 32.600 -0.670 0.000 1.424 459 M HN -0.069 nan 8.290 nan 0.000 0.488 460 F N -1.696 118.265 119.950 0.018 0.000 2.522 460 F HA 0.317 4.843 4.527 -0.002 0.000 0.324 460 F C 0.654 176.496 175.800 0.069 0.000 1.077 460 F CA -1.254 56.766 58.000 0.033 0.000 0.944 460 F CB 0.486 39.494 39.000 0.014 0.000 1.175 460 F HN -0.073 nan 8.300 nan 0.000 0.468 461 H N 3.942 123.100 119.070 0.148 0.000 3.107 461 H HA 0.074 4.629 4.556 -0.002 0.000 0.301 461 H C 0.651 176.015 175.328 0.060 0.000 0.981 461 H CA 0.494 56.583 56.048 0.069 0.000 1.443 461 H CB 0.308 30.098 29.762 0.046 0.000 1.479 461 H HN 0.832 nan 8.280 nan 0.000 0.564 462 L N 2.933 124.085 121.223 -0.118 0.000 4.496 462 L HA -0.220 4.119 4.340 -0.002 0.000 0.419 462 L C 0.989 177.827 176.870 -0.053 0.000 1.139 462 L CA 0.556 55.297 54.840 -0.166 0.000 0.975 462 L CB -1.811 40.045 42.059 -0.337 0.000 2.099 462 L HN 0.785 nan 8.230 nan 0.000 0.818 463 G N 0.005 108.818 108.800 0.023 0.000 2.380 463 G HA2 0.340 4.299 3.960 -0.002 0.000 0.242 463 G HA3 0.340 4.299 3.960 -0.002 0.000 0.242 463 G C 0.801 175.707 174.900 0.011 0.000 1.298 463 G CA -0.254 44.861 45.100 0.025 0.000 0.878 463 G HN 0.131 nan 8.290 nan 0.000 0.542 464 R N 0.617 121.096 120.500 -0.035 0.000 1.776 464 R HA 0.352 4.691 4.340 -0.002 0.000 0.146 464 R C 0.985 177.250 176.300 -0.059 0.000 2.057 464 R CA 0.940 57.042 56.100 0.003 0.000 1.641 464 R CB -0.620 29.737 30.300 0.095 0.000 1.256 464 R HN 0.682 nan 8.270 nan 0.000 0.478 465 T N -1.245 113.180 114.554 -0.215 0.000 2.865 465 T HA 0.564 4.913 4.350 -0.002 0.000 0.294 465 T C -0.942 173.495 174.700 -0.437 0.000 1.119 465 T CA -0.819 61.135 62.100 -0.243 0.000 1.007 465 T CB 2.865 71.664 68.868 -0.114 0.000 1.225 465 T HN 0.093 nan 8.240 nan 0.000 0.515 466 D N -0.829 119.377 120.400 -0.324 0.000 2.652 466 D HA 0.525 5.164 4.640 -0.002 0.000 0.285 466 D C -1.062 175.025 176.300 -0.355 0.000 1.173 466 D CA -0.273 53.525 54.000 -0.337 0.000 0.981 466 D CB 2.547 43.215 40.800 -0.219 0.000 1.440 466 D HN 0.658 nan 8.370 nan 0.000 0.485 467 T N 1.018 115.351 114.554 -0.367 0.000 2.795 467 T HA 0.559 4.908 4.350 -0.002 0.000 0.282 467 T C 0.179 174.575 174.700 -0.506 0.000 0.980 467 T CA -0.366 61.406 62.100 -0.548 0.000 1.012 467 T CB 0.574 69.192 68.868 -0.416 0.000 0.936 467 T HN 0.157 nan 8.240 nan 0.000 0.457 468 I N 3.250 123.424 120.570 -0.660 0.000 2.339 468 I HA 0.371 4.540 4.170 -0.002 0.000 0.290 468 I C 0.490 176.119 176.117 -0.812 0.000 0.994 468 I CA -0.680 60.110 61.300 -0.849 0.000 1.191 468 I CB 1.232 38.861 38.000 -0.619 0.000 1.343 468 I HN 0.317 nan 8.210 nan 0.000 0.458 469 R N 4.151 124.031 120.500 -1.034 0.000 2.198 469 R HA 0.279 4.618 4.340 -0.002 0.000 0.339 469 R C 0.713 176.881 176.300 -0.220 0.000 1.020 469 R CA -0.225 55.663 56.100 -0.354 0.000 0.864 469 R CB 1.147 31.471 30.300 0.039 0.000 1.105 469 R HN 0.620 nan 8.270 nan 0.000 0.463 470 S N 1.550 117.238 115.700 -0.021 0.000 2.489 470 S HA -0.029 4.440 4.470 -0.002 0.000 0.228 470 S C 0.853 175.540 174.600 0.144 0.000 0.995 470 S CA 0.364 58.650 58.200 0.143 0.000 0.934 470 S CB 0.361 63.628 63.200 0.112 0.000 0.771 470 S HN 0.672 nan 8.310 nan 0.000 0.522 471 A N 2.394 125.295 122.820 0.134 0.000 2.279 471 A HA 0.623 4.942 4.320 -0.002 0.000 0.306 471 A C 0.432 178.123 177.584 0.179 0.000 1.300 471 A CA -0.562 51.560 52.037 0.141 0.000 0.925 471 A CB 0.222 19.301 19.000 0.131 0.000 1.152 471 A HN 0.339 nan 8.150 nan 0.000 0.544 472 S N 1.877 117.680 115.700 0.171 0.000 2.697 472 S HA 0.604 5.073 4.470 -0.002 0.000 0.289 472 S C 0.826 175.506 174.600 0.132 0.000 1.149 472 S CA -0.656 57.656 58.200 0.187 0.000 0.850 472 S CB 0.468 63.803 63.200 0.226 0.000 1.151 472 S HN 0.411 nan 8.310 nan 0.000 0.491 473 I N 1.002 121.642 120.570 0.117 0.000 2.208 473 I HA -0.205 3.964 4.170 -0.002 0.000 0.245 473 I C 1.782 177.939 176.117 0.066 0.000 1.097 473 I CA 1.649 62.989 61.300 0.067 0.000 1.363 473 I CB -0.401 37.628 38.000 0.049 0.000 1.051 473 I HN 0.665 nan 8.210 nan 0.000 0.413 474 D N 0.378 120.831 120.400 0.089 0.000 2.149 474 D HA -0.126 4.513 4.640 -0.002 0.000 0.201 474 D C 2.388 178.754 176.300 0.110 0.000 0.972 474 D CA 1.795 55.847 54.000 0.087 0.000 0.835 474 D CB -0.118 40.733 40.800 0.085 0.000 0.966 474 D HN 0.381 nan 8.370 nan 0.000 0.476 475 S N 0.897 116.671 115.700 0.124 0.000 2.368 475 S HA -0.150 4.319 4.470 -0.002 0.000 0.225 475 S C 2.086 176.745 174.600 0.098 0.000 1.030 475 S CA 0.534 58.823 58.200 0.148 0.000 0.999 475 S CB -0.583 62.700 63.200 0.137 0.000 0.844 475 S HN 0.148 nan 8.310 nan 0.000 0.459 476 L N 2.269 123.520 121.223 0.046 0.000 2.046 476 L HA 0.166 4.505 4.340 -0.002 0.000 0.208 476 L C 2.710 179.518 176.870 -0.103 0.000 1.077 476 L CA 1.650 56.462 54.840 -0.046 0.000 0.747 476 L CB -1.363 40.697 42.059 0.001 0.000 0.896 476 L HN 0.383 nan 8.230 nan 0.000 0.432 477 A N -0.878 121.931 122.820 -0.018 0.000 1.902 477 A HA -0.268 4.051 4.320 -0.002 0.000 0.217 477 A C 2.250 179.827 177.584 -0.012 0.000 1.181 477 A CA 1.911 53.938 52.037 -0.017 0.000 0.623 477 A CB -1.151 17.864 19.000 0.026 0.000 0.818 477 A HN 0.553 nan 8.150 nan 0.000 0.443 478 F N 1.454 121.347 119.950 -0.095 0.000 2.084 478 F HA -0.169 4.358 4.527 0.000 0.000 0.296 478 F C 2.348 178.061 175.800 -0.145 0.000 1.111 478 F CA 2.160 60.102 58.000 -0.097 0.000 1.224 478 F CB -0.738 38.218 39.000 -0.074 0.000 0.991 478 F HN 0.130 nan 8.300 nan 0.000 0.471 479 V N -0.847 118.718 119.914 -0.582 0.000 2.392 479 V HA -0.257 3.862 4.120 -0.002 0.000 0.249 479 V C 2.281 177.923 176.094 -0.753 0.000 1.059 479 V CA 2.184 64.018 62.300 -0.776 0.000 1.051 479 V CB -1.194 30.270 31.823 -0.598 0.000 0.658 479 V HN 0.364 nan 8.190 nan 0.000 0.455 480 K N 1.233 121.229 120.400 -0.672 0.000 2.025 480 K HA 0.012 4.331 4.320 -0.002 0.000 0.207 480 K C 2.364 178.820 176.600 -0.240 0.000 1.049 480 K CA 1.527 57.549 56.287 -0.442 0.000 0.933 480 K CB -0.832 31.506 32.500 -0.270 0.000 0.714 480 K HN 0.602 nan 8.250 nan 0.000 0.438 481 G N 1.206 109.873 108.800 -0.222 0.000 2.432 481 G HA2 -0.265 3.694 3.960 -0.002 0.000 0.219 481 G HA3 -0.265 3.694 3.960 -0.002 0.000 0.219 481 G C 1.445 176.244 174.900 -0.167 0.000 1.135 481 G CA 0.652 45.670 45.100 -0.137 0.000 0.767 481 G HN 0.147 nan 8.290 nan 0.000 0.550 482 M N 1.468 120.870 119.600 -0.330 0.000 2.159 482 M HA 0.101 4.580 4.480 -0.002 0.000 0.263 482 M C 2.151 178.355 176.300 -0.160 0.000 1.063 482 M CA 1.720 56.833 55.300 -0.312 0.000 1.110 482 M CB -0.356 31.869 32.600 -0.625 0.000 1.374 482 M HN 0.084 nan 8.290 nan 0.000 0.411 483 G N -0.898 107.825 108.800 -0.128 0.000 3.337 483 G HA2 0.029 3.988 3.960 -0.002 0.000 0.246 483 G HA3 0.029 3.988 3.960 -0.002 0.000 0.246 483 G C -0.422 174.467 174.900 -0.017 0.000 1.131 483 G CA -0.253 44.824 45.100 -0.039 0.000 0.773 483 G HN 0.369 nan 8.290 nan 0.000 0.544 484 D N 0.415 120.793 120.400 -0.037 0.000 2.359 484 D HA 0.295 4.934 4.640 -0.002 0.000 0.230 484 D C 1.251 177.541 176.300 -0.016 0.000 1.118 484 D CA -0.232 53.756 54.000 -0.019 0.000 0.844 484 D CB 1.511 42.295 40.800 -0.027 0.000 1.059 484 D HN -0.052 nan 8.370 nan 0.000 0.493 485 S N 1.634 117.330 115.700 -0.007 0.000 2.440 485 S HA -0.160 4.309 4.470 -0.002 0.000 0.238 485 S C 1.873 176.471 174.600 -0.004 0.000 1.010 485 S CA 1.574 59.771 58.200 -0.004 0.000 0.972 485 S CB -0.063 63.137 63.200 -0.000 0.000 0.774 485 S HN 0.759 nan 8.310 nan 0.000 0.501 486 T N -1.029 113.522 114.554 -0.005 0.000 3.100 486 T HA 0.173 4.522 4.350 -0.002 0.000 0.253 486 T C 0.422 175.118 174.700 -0.007 0.000 1.118 486 T CA -0.039 62.059 62.100 -0.004 0.000 1.058 486 T CB -0.190 68.676 68.868 -0.002 0.000 0.953 486 T HN 0.045 nan 8.240 nan 0.000 0.515 487 V N 3.821 123.727 119.914 -0.013 0.000 2.348 487 V HA 0.359 4.478 4.120 -0.002 0.000 0.270 487 V C -2.337 173.744 176.094 -0.021 0.000 1.037 487 V CA -2.251 60.039 62.300 -0.017 0.000 0.872 487 V CB 0.926 32.735 31.823 -0.023 0.000 1.002 487 V HN 0.228 nan 8.190 nan 0.000 0.464 488 P HA 0.076 nan 4.420 nan 0.000 0.266 488 P C 0.878 178.137 177.300 -0.068 0.000 1.195 488 P CA 0.106 63.189 63.100 -0.028 0.000 0.768 488 P CB 0.673 32.363 31.700 -0.017 0.000 0.838 489 E N 1.436 121.574 120.200 -0.103 0.000 2.130 489 E HA -0.323 4.026 4.350 -0.002 0.000 0.196 489 E C 1.666 178.029 176.600 -0.396 0.000 0.998 489 E CA 1.224 57.475 56.400 -0.248 0.000 0.806 489 E CB -0.119 29.402 29.700 -0.298 0.000 0.738 489 E HN 0.459 nan 8.360 nan 0.000 0.459 490 Q N 0.636 120.258 119.800 -0.297 0.000 2.170 490 Q HA -0.197 4.142 4.340 -0.002 0.000 0.203 490 Q C 1.903 177.847 176.000 -0.092 0.000 0.976 490 Q CA 1.498 57.190 55.803 -0.185 0.000 0.858 490 Q CB 0.078 28.794 28.738 -0.037 0.000 0.907 490 Q HN 0.197 nan 8.270 nan 0.000 0.433 491 Q N -0.020 119.742 119.800 -0.064 0.000 2.137 491 Q HA -0.034 4.305 4.340 -0.002 0.000 0.198 491 Q C 1.847 177.848 176.000 0.002 0.000 0.960 491 Q CA 1.133 56.924 55.803 -0.020 0.000 0.847 491 Q CB -0.101 28.630 28.738 -0.012 0.000 0.915 491 Q HN 0.466 nan 8.270 nan 0.000 0.448 492 K N 0.312 120.705 120.400 -0.012 0.000 2.057 492 K HA -0.078 4.241 4.320 -0.002 0.000 0.207 492 K C 2.129 178.800 176.600 0.118 0.000 1.049 492 K CA 1.185 57.513 56.287 0.068 0.000 0.931 492 K CB -0.290 32.228 32.500 0.030 0.000 0.714 492 K HN -0.006 nan 8.250 nan 0.000 0.440 493 V N 1.839 121.757 119.914 0.007 0.000 2.515 493 V HA -0.213 3.906 4.120 -0.002 0.000 0.250 493 V C 1.664 177.757 176.094 -0.000 0.000 1.058 493 V CA 1.746 64.056 62.300 0.016 0.000 1.064 493 V CB -0.168 31.659 31.823 0.006 0.000 0.675 493 V HN 0.285 nan 8.190 nan 0.000 0.461 494 E N -0.309 119.893 120.200 0.004 0.000 2.107 494 E HA -0.139 4.210 4.350 -0.002 0.000 0.191 494 E C 2.163 178.762 176.600 -0.002 0.000 0.982 494 E CA 1.248 57.649 56.400 0.001 0.000 0.809 494 E CB -0.129 29.575 29.700 0.008 0.000 0.756 494 E HN 0.540 nan 8.360 nan 0.000 0.459 495 L N 0.832 122.080 121.223 0.041 0.000 2.093 495 L HA -0.155 4.184 4.340 -0.002 0.000 0.208 495 L C 2.482 179.311 176.870 -0.068 0.000 1.085 495 L CA 0.628 55.517 54.840 0.081 0.000 0.755 495 L CB -0.259 41.932 42.059 0.220 0.000 0.904 495 L HN 0.228 nan 8.230 nan 0.000 0.435 496 L N -0.178 120.889 121.223 -0.260 0.000 1.994 496 L HA -0.242 4.097 4.340 -0.002 0.000 0.208 496 L C 2.946 179.549 176.870 -0.445 0.000 1.071 496 L CA 1.501 55.806 54.840 -0.890 0.000 0.745 496 L CB -0.214 41.444 42.059 -0.669 0.000 0.892 496 L HN 0.195 nan 8.230 nan 0.000 0.431 497 R N -0.211 120.168 120.500 -0.203 0.000 2.096 497 R HA -0.227 4.112 4.340 -0.002 0.000 0.235 497 R C 2.325 178.580 176.300 -0.076 0.000 1.127 497 R CA 1.666 57.703 56.100 -0.104 0.000 0.968 497 R CB -0.328 29.945 30.300 -0.045 0.000 0.861 497 R HN 0.386 nan 8.270 nan 0.000 0.440 498 K N 0.712 121.073 120.400 -0.066 0.000 2.097 498 K HA -0.074 4.245 4.320 -0.002 0.000 0.205 498 K C 2.082 178.672 176.600 -0.016 0.000 1.050 498 K CA 1.199 57.474 56.287 -0.021 0.000 0.938 498 K CB -0.029 32.471 32.500 0.001 0.000 0.718 498 K HN 0.147 nan 8.250 nan 0.000 0.442 499 A N 0.382 123.161 122.820 -0.069 0.000 1.898 499 A HA -0.092 4.227 4.320 -0.002 0.000 0.216 499 A C 2.190 179.766 177.584 -0.014 0.000 1.181 499 A CA 1.444 53.460 52.037 -0.036 0.000 0.620 499 A CB -0.529 18.411 19.000 -0.100 0.000 0.819 499 A HN 0.152 nan 8.150 nan 0.000 0.442 500 V N 0.003 119.869 119.914 -0.081 0.000 2.307 500 V HA -0.233 3.886 4.120 -0.002 0.000 0.245 500 V C 2.710 178.845 176.094 0.069 0.000 1.045 500 V CA 1.950 64.243 62.300 -0.012 0.000 1.024 500 V CB -0.724 31.079 31.823 -0.033 0.000 0.651 500 V HN 0.535 nan 8.190 nan 0.000 0.449 501 Q N -0.147 119.676 119.800 0.039 0.000 2.124 501 Q HA -0.133 4.206 4.340 -0.002 0.000 0.202 501 Q C 2.401 178.447 176.000 0.077 0.000 0.977 501 Q CA 1.816 57.652 55.803 0.054 0.000 0.850 501 Q CB -0.611 28.146 28.738 0.031 0.000 0.901 501 Q HN 0.659 nan 8.270 nan 0.000 0.429 502 A N 0.522 123.393 122.820 0.085 0.000 1.930 502 A HA -0.208 4.111 4.320 -0.002 0.000 0.217 502 A C 2.009 179.680 177.584 0.145 0.000 1.175 502 A CA 1.471 53.572 52.037 0.106 0.000 0.627 502 A CB -0.755 18.311 19.000 0.110 0.000 0.815 502 A HN 0.416 nan 8.150 nan 0.000 0.443 503 H N -0.291 118.830 119.070 0.083 0.000 2.357 503 H HA -0.077 4.478 4.556 -0.001 0.000 0.301 503 H C 2.332 177.717 175.328 0.094 0.000 1.082 503 H CA 1.751 57.852 56.048 0.089 0.000 1.342 503 H CB -0.111 29.674 29.762 0.039 0.000 1.389 503 H HN 0.518 nan 8.280 nan 0.000 0.511 504 R N 0.412 121.001 120.500 0.149 0.000 2.091 504 R HA -0.128 4.211 4.340 -0.002 0.000 0.238 504 R C 2.446 178.776 176.300 0.050 0.000 1.136 504 R CA 1.396 57.556 56.100 0.100 0.000 0.959 504 R CB -0.274 30.086 30.300 0.101 0.000 0.856 504 R HN 0.313 nan 8.270 nan 0.000 0.437 505 A N -0.006 122.847 122.820 0.055 0.000 1.902 505 A HA -0.228 4.091 4.320 -0.002 0.000 0.217 505 A C 2.080 179.682 177.584 0.030 0.000 1.181 505 A CA 1.396 53.456 52.037 0.039 0.000 0.623 505 A CB -0.985 18.039 19.000 0.040 0.000 0.818 505 A HN 0.635 nan 8.150 nan 0.000 0.443 506 Y N 0.787 121.010 120.300 -0.130 0.000 2.128 506 Y HA -0.243 4.306 4.550 -0.002 0.000 0.284 506 Y C 2.832 178.608 175.900 -0.208 0.000 1.154 506 Y CA 1.850 59.832 58.100 -0.197 0.000 1.149 506 Y CB -0.211 38.099 38.460 -0.250 0.000 0.976 506 Y HN 0.360 nan 8.280 nan 0.000 0.505 507 T N 0.139 114.691 114.554 -0.004 0.000 2.684 507 T HA -0.216 4.133 4.350 -0.002 0.000 0.267 507 T C 1.224 175.932 174.700 0.015 0.000 1.036 507 T CA 1.705 63.777 62.100 -0.047 0.000 1.148 507 T CB -0.422 68.415 68.868 -0.053 0.000 0.863 507 T HN 0.395 nan 8.240 nan 0.000 0.436 508 D N 0.712 121.127 120.400 0.026 0.000 2.144 508 D HA -0.031 4.608 4.640 -0.002 0.000 0.199 508 D C 2.421 178.743 176.300 0.036 0.000 0.984 508 D CA 0.851 54.870 54.000 0.033 0.000 0.834 508 D CB -0.230 40.591 40.800 0.034 0.000 0.955 508 D HN 0.338 nan 8.370 nan 0.000 0.465 509 R N 0.682 121.193 120.500 0.018 0.000 2.073 509 R HA -0.036 4.303 4.340 -0.002 0.000 0.234 509 R C 2.322 178.638 176.300 0.026 0.000 1.134 509 R CA 1.198 57.296 56.100 -0.003 0.000 0.952 509 R CB -0.326 29.897 30.300 -0.129 0.000 0.850 509 R HN 0.099 nan 8.270 nan 0.000 0.433 510 A N 1.461 124.306 122.820 0.042 0.000 1.883 510 A HA -0.161 4.158 4.320 -0.002 0.000 0.217 510 A C 2.167 179.788 177.584 0.061 0.000 1.186 510 A CA 1.343 53.404 52.037 0.040 0.000 0.624 510 A CB -0.559 18.453 19.000 0.020 0.000 0.822 510 A HN 0.202 nan 8.150 nan 0.000 0.444 511 I N -1.172 119.435 120.570 0.062 0.000 2.454 511 I HA -0.220 3.949 4.170 -0.002 0.000 0.254 511 I C 2.301 178.526 176.117 0.179 0.000 1.156 511 I CA 1.192 62.545 61.300 0.088 0.000 1.433 511 I CB -0.204 37.824 38.000 0.046 0.000 1.082 511 I HN 0.223 nan 8.210 nan 0.000 0.432 512 R N 0.647 121.254 120.500 0.177 0.000 2.320 512 R HA 0.142 4.481 4.340 -0.002 0.000 0.211 512 R C 1.222 177.776 176.300 0.423 0.000 0.931 512 R CA 0.583 56.841 56.100 0.264 0.000 1.071 512 R CB 0.178 30.571 30.300 0.155 0.000 1.025 512 R HN 0.429 nan 8.270 nan 0.000 0.495 513 G N 1.058 110.035 108.800 0.295 0.000 2.143 513 G HA2 -0.301 3.658 3.960 -0.002 0.000 0.248 513 G HA3 -0.301 3.658 3.960 -0.002 0.000 0.248 513 G C 0.332 175.257 174.900 0.042 0.000 0.991 513 G CA 0.239 45.365 45.100 0.043 0.000 0.689 513 G HN 0.476 nan 8.290 nan 0.000 0.522 514 E N -0.191 120.057 120.200 0.079 0.000 2.476 514 E HA 0.510 4.859 4.350 -0.002 0.000 0.196 514 E C 1.648 178.277 176.600 0.049 0.000 1.029 514 E CA 0.234 56.688 56.400 0.090 0.000 0.896 514 E CB 0.477 30.232 29.700 0.093 0.000 1.012 514 E HN 0.734 nan 8.360 nan 0.000 0.475 515 A N 0.500 123.337 122.820 0.028 0.000 2.267 515 A HA 0.302 4.621 4.320 -0.002 0.000 0.271 515 A C 0.458 178.146 177.584 0.172 0.000 1.131 515 A CA -0.187 51.856 52.037 0.011 0.000 0.818 515 A CB 0.077 19.072 19.000 -0.009 0.000 1.118 515 A HN 0.346 nan 8.150 nan 0.000 0.501 516 F N -2.776 117.290 119.950 0.193 0.000 2.789 516 F HA 0.299 4.825 4.527 -0.002 0.000 0.320 516 F C 0.811 176.763 175.800 0.254 0.000 1.079 516 F CA 0.307 58.470 58.000 0.271 0.000 1.205 516 F CB -0.383 38.799 39.000 0.302 0.000 1.046 516 F HN 0.475 nan 8.300 nan 0.000 0.586 517 D N 1.203 121.430 120.400 -0.290 0.000 2.123 517 D HA -0.116 4.523 4.640 -0.002 0.000 0.196 517 D C 2.065 178.460 176.300 0.159 0.000 0.992 517 D CA 1.528 55.514 54.000 -0.023 0.000 0.833 517 D CB 0.030 40.752 40.800 -0.131 0.000 0.954 517 D HN 0.047 nan 8.370 nan 0.000 0.455 518 R N -0.407 120.148 120.500 0.092 0.000 2.115 518 R HA -0.059 4.280 4.340 -0.002 0.000 0.226 518 R C 2.056 178.624 176.300 0.446 0.000 1.100 518 R CA 0.759 56.942 56.100 0.138 0.000 0.980 518 R CB -0.914 29.333 30.300 -0.088 0.000 0.875 518 R HN 0.550 nan 8.270 nan 0.000 0.445 519 H N 0.719 120.004 119.070 0.358 0.000 2.321 519 H HA 0.017 4.572 4.556 -0.002 0.000 0.300 519 H C 2.013 177.535 175.328 0.322 0.000 1.087 519 H CA 1.160 57.448 56.048 0.401 0.000 1.319 519 H CB 0.192 30.138 29.762 0.306 0.000 1.379 519 H HN 0.040 nan 8.280 nan 0.000 0.501 520 L N 0.428 121.825 121.223 0.290 0.000 2.083 520 L HA -0.188 4.151 4.340 -0.002 0.000 0.209 520 L C 2.732 179.711 176.870 0.181 0.000 1.083 520 L CA 0.619 55.570 54.840 0.186 0.000 0.752 520 L CB -0.363 41.833 42.059 0.227 0.000 0.899 520 L HN 0.336 nan 8.230 nan 0.000 0.433 521 L N 0.329 121.681 121.223 0.216 0.000 2.046 521 L HA -0.054 4.285 4.340 -0.002 0.000 0.208 521 L C 2.340 179.221 176.870 0.020 0.000 1.077 521 L CA 2.059 56.952 54.840 0.088 0.000 0.747 521 L CB -0.959 41.221 42.059 0.202 0.000 0.896 521 L HN 0.098 nan 8.230 nan 0.000 0.432 522 G N -0.272 108.708 108.800 0.300 0.000 2.421 522 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.216 522 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.216 522 G C 1.594 176.560 174.900 0.110 0.000 1.171 522 G CA 1.093 46.444 45.100 0.417 0.000 0.775 522 G HN 0.439 nan 8.290 nan 0.000 0.543 523 L N 0.199 121.497 121.223 0.124 0.000 2.042 523 L HA -0.085 4.254 4.340 -0.002 0.000 0.210 523 L C 2.813 179.676 176.870 -0.012 0.000 1.076 523 L CA 1.682 56.606 54.840 0.139 0.000 0.749 523 L CB -0.315 41.918 42.059 0.290 0.000 0.893 523 L HN 0.243 nan 8.230 nan 0.000 0.432 524 K N 0.672 120.830 120.400 -0.404 0.000 2.025 524 K HA -0.157 4.162 4.320 -0.002 0.000 0.207 524 K C 2.137 178.440 176.600 -0.495 0.000 1.049 524 K CA 1.231 56.999 56.287 -0.865 0.000 0.933 524 K CB -0.053 31.519 32.500 -1.546 0.000 0.714 524 K HN 0.237 nan 8.250 nan 0.000 0.438 525 L N 0.785 121.678 121.223 -0.549 0.000 2.141 525 L HA -0.168 4.171 4.340 -0.002 0.000 0.209 525 L C 2.737 179.310 176.870 -0.494 0.000 1.094 525 L CA 1.011 55.416 54.840 -0.725 0.000 0.763 525 L CB -0.471 40.695 42.059 -1.489 0.000 0.908 525 L HN 0.315 nan 8.230 nan 0.000 0.437 526 Q N 0.682 120.319 119.800 -0.272 0.000 2.084 526 Q HA -0.179 4.160 4.340 -0.002 0.000 0.202 526 Q C 2.227 178.257 176.000 0.050 0.000 0.978 526 Q CA 2.179 58.039 55.803 0.095 0.000 0.844 526 Q CB -0.263 28.588 28.738 0.189 0.000 0.898 526 Q HN 0.417 nan 8.270 nan 0.000 0.426 527 A N 0.208 123.029 122.820 0.001 0.000 1.902 527 A HA -0.148 4.171 4.320 -0.002 0.000 0.217 527 A C 2.163 179.745 177.584 -0.004 0.000 1.181 527 A CA 1.524 53.576 52.037 0.025 0.000 0.623 527 A CB -0.771 18.262 19.000 0.055 0.000 0.818 527 A HN 0.491 nan 8.150 nan 0.000 0.443 528 I N -0.731 119.801 120.570 -0.064 0.000 2.142 528 I HA -0.276 3.893 4.170 -0.002 0.000 0.240 528 I C 2.609 178.724 176.117 -0.002 0.000 1.078 528 I CA 1.945 63.211 61.300 -0.057 0.000 1.343 528 I CB -0.393 37.534 38.000 -0.122 0.000 1.046 528 I HN 0.541 nan 8.210 nan 0.000 0.405 529 E N 0.921 121.140 120.200 0.031 0.000 2.110 529 E HA -0.258 4.091 4.350 -0.002 0.000 0.193 529 E C 1.314 177.964 176.600 0.082 0.000 0.988 529 E CA 1.387 57.846 56.400 0.098 0.000 0.804 529 E CB 0.089 29.920 29.700 0.218 0.000 0.745 529 E HN 0.401 nan 8.360 nan 0.000 0.458 530 D N 0.063 120.506 120.400 0.071 0.000 2.363 530 D HA -0.013 4.626 4.640 -0.002 0.000 0.220 530 D C 0.633 176.956 176.300 0.040 0.000 0.994 530 D CA 0.399 54.434 54.000 0.057 0.000 0.890 530 D CB 0.193 41.026 40.800 0.055 0.000 0.906 530 D HN 0.252 nan 8.370 nan 0.000 0.530 531 L N -0.493 120.750 121.223 0.033 0.000 3.730 531 L HA -0.190 4.149 4.340 -0.002 0.000 0.410 531 L C 0.107 176.991 176.870 0.022 0.000 1.234 531 L CA -0.161 54.694 54.840 0.024 0.000 0.911 531 L CB -2.222 39.851 42.059 0.024 0.000 1.942 531 L HN -0.039 nan 8.230 nan 0.000 0.860 532 V N -3.657 116.272 119.914 0.026 0.000 2.834 532 V HA 0.667 4.786 4.120 -0.002 0.000 0.313 532 V C 1.078 177.191 176.094 0.030 0.000 1.060 532 V CA -0.486 61.831 62.300 0.029 0.000 0.989 532 V CB 1.808 33.653 31.823 0.037 0.000 1.041 532 V HN 0.219 nan 8.190 nan 0.000 0.459 533 S N 3.821 119.540 115.700 0.031 0.000 2.546 533 S HA 0.215 4.684 4.470 -0.002 0.000 0.290 533 S C 0.128 174.756 174.600 0.048 0.000 1.290 533 S CA -0.172 58.047 58.200 0.032 0.000 1.069 533 S CB 0.116 63.333 63.200 0.028 0.000 0.846 533 S HN 0.951 nan 8.310 nan 0.000 0.495 534 M N 5.297 124.923 119.600 0.044 0.000 2.323 534 M HA 0.056 4.535 4.480 -0.002 0.000 0.386 534 M C -2.501 173.856 176.300 0.096 0.000 1.525 534 M CA -1.280 54.061 55.300 0.068 0.000 0.914 534 M CB -0.504 32.126 32.600 0.050 0.000 2.042 534 M HN 0.252 nan 8.290 nan 0.000 0.483 535 P HA 0.023 nan 4.420 nan 0.000 0.266 535 P C -0.092 177.178 177.300 -0.052 0.000 1.195 535 P CA -0.070 63.080 63.100 0.083 0.000 0.768 535 P CB 0.538 32.313 31.700 0.125 0.000 0.838 536 D N 2.154 122.502 120.400 -0.087 0.000 2.158 536 D HA -0.179 4.460 4.640 -0.002 0.000 0.197 536 D C 1.694 177.853 176.300 -0.234 0.000 0.995 536 D CA 1.197 55.131 54.000 -0.109 0.000 0.846 536 D CB -0.441 40.308 40.800 -0.086 0.000 0.941 536 D HN 0.400 nan 8.370 nan 0.000 0.456 537 I N -0.325 119.950 120.570 -0.493 0.000 2.530 537 I HA -0.262 3.907 4.170 -0.002 0.000 0.257 537 I C 1.429 177.073 176.117 -0.788 0.000 1.179 537 I CA 1.009 61.873 61.300 -0.726 0.000 1.440 537 I CB -0.014 37.260 38.000 -1.209 0.000 1.087 537 I HN -0.107 nan 8.210 nan 0.000 0.440 538 F N -0.685 119.025 119.950 -0.400 0.000 2.698 538 F HA 0.088 4.614 4.527 -0.002 0.000 0.295 538 F C 2.107 177.850 175.800 -0.096 0.000 1.124 538 F CA 0.177 57.929 58.000 -0.415 0.000 1.426 538 F CB -0.041 38.720 39.000 -0.397 0.000 1.120 538 F HN -0.047 nan 8.300 nan 0.000 0.583 539 M N -0.558 119.082 119.600 0.065 0.000 2.502 539 M HA 0.028 4.507 4.480 -0.002 0.000 0.243 539 M C 0.005 176.357 176.300 0.086 0.000 1.130 539 M CA 0.125 55.477 55.300 0.086 0.000 1.055 539 M CB -0.239 32.393 32.600 0.053 0.000 1.457 539 M HN -0.139 nan 8.290 nan 0.000 0.488 540 D N 0.974 121.417 120.400 0.072 0.000 2.455 540 D HA -0.022 4.617 4.640 -0.002 0.000 0.241 540 D C 0.865 177.248 176.300 0.138 0.000 1.138 540 D CA 0.690 54.751 54.000 0.101 0.000 0.877 540 D CB 1.209 42.042 40.800 0.055 0.000 1.187 540 D HN 0.009 nan 8.370 nan 0.000 0.451 541 T N 2.001 116.617 114.554 0.103 0.000 2.759 541 T HA -0.138 4.211 4.350 -0.002 0.000 0.269 541 T C 1.958 176.713 174.700 0.091 0.000 1.042 541 T CA 1.457 63.601 62.100 0.074 0.000 1.140 541 T CB -0.094 68.795 68.868 0.035 0.000 0.864 541 T HN 0.363 nan 8.240 nan 0.000 0.455 542 S N 0.101 115.869 115.700 0.113 0.000 2.383 542 S HA -0.111 4.358 4.470 -0.002 0.000 0.229 542 S C 1.646 176.364 174.600 0.196 0.000 1.030 542 S CA 1.009 59.278 58.200 0.114 0.000 1.002 542 S CB -0.443 62.793 63.200 0.060 0.000 0.829 542 S HN 0.638 nan 8.310 nan 0.000 0.467 543 Y N 1.785 122.169 120.300 0.140 0.000 2.242 543 Y HA -0.099 4.450 4.550 -0.001 0.000 0.291 543 Y C 2.412 178.378 175.900 0.110 0.000 1.137 543 Y CA 0.936 59.148 58.100 0.186 0.000 1.181 543 Y CB -0.410 38.135 38.460 0.140 0.000 0.989 543 Y HN 0.264 nan 8.280 nan 0.000 0.527 544 A N 0.457 123.323 122.820 0.077 0.000 1.877 544 A HA -0.196 4.123 4.320 -0.002 0.000 0.216 544 A C 2.167 179.702 177.584 -0.081 0.000 1.186 544 A CA 2.002 54.027 52.037 -0.020 0.000 0.620 544 A CB -1.060 17.954 19.000 0.023 0.000 0.822 544 A HN 0.571 nan 8.150 nan 0.000 0.443 545 I N -0.277 120.265 120.570 -0.047 0.000 2.226 545 I HA -0.265 3.904 4.170 -0.002 0.000 0.245 545 I C 2.962 179.016 176.117 -0.105 0.000 1.100 545 I CA 1.027 62.290 61.300 -0.061 0.000 1.374 545 I CB -0.392 37.599 38.000 -0.014 0.000 1.057 545 I HN 0.353 nan 8.210 nan 0.000 0.413 546 A N 0.637 123.405 122.820 -0.086 0.000 1.940 546 A HA -0.176 4.143 4.320 -0.002 0.000 0.219 546 A C 2.127 179.442 177.584 -0.448 0.000 1.176 546 A CA 1.523 53.500 52.037 -0.100 0.000 0.631 546 A CB -0.314 18.780 19.000 0.157 0.000 0.814 546 A HN 0.340 nan 8.150 nan 0.000 0.446 547 M N -0.558 118.722 119.600 -0.534 0.000 2.495 547 M HA 0.112 4.591 4.480 -0.002 0.000 0.237 547 M C 0.472 176.375 176.300 -0.662 0.000 1.131 547 M CA 0.344 55.237 55.300 -0.678 0.000 1.032 547 M CB -0.769 31.539 32.600 -0.486 0.000 1.513 547 M HN 0.451 nan 8.290 nan 0.000 0.488 548 H N 0.590 119.297 119.070 -0.605 0.000 2.746 548 H HA 0.240 4.794 4.556 -0.002 0.000 0.269 548 H C -1.274 173.848 175.328 -0.342 0.000 1.248 548 H CA -0.491 55.351 56.048 -0.342 0.000 1.258 548 H CB -0.033 29.618 29.762 -0.185 0.000 1.441 548 H HN -0.037 nan 8.280 nan 0.000 0.508 549 F N 4.549 124.445 119.950 -0.090 0.000 2.509 549 F HA 0.108 4.634 4.527 -0.002 0.000 0.350 549 F C 1.711 177.503 175.800 -0.014 0.000 1.220 549 F CA -0.369 57.621 58.000 -0.016 0.000 1.151 549 F CB 0.058 39.060 39.000 0.003 0.000 1.379 549 F HN 0.497 nan 8.300 nan 0.000 0.610 550 N N 2.343 121.148 118.700 0.175 0.000 2.348 550 N HA -0.108 4.631 4.740 -0.002 0.000 0.185 550 N C 0.199 175.836 175.510 0.211 0.000 1.019 550 N CA 0.969 54.118 53.050 0.166 0.000 0.880 550 N CB 0.365 38.932 38.487 0.134 0.000 0.965 550 N HN 0.384 nan 8.380 nan 0.000 0.437 551 L N 0.497 121.830 121.223 0.183 0.000 2.372 551 L HA 0.263 4.602 4.340 -0.002 0.000 0.274 551 L C -0.513 176.498 176.870 0.235 0.000 0.988 551 L CA -0.352 54.603 54.840 0.192 0.000 0.833 551 L CB 2.135 44.223 42.059 0.048 0.000 1.236 551 L HN -0.199 nan 8.230 nan 0.000 0.410 552 S N 2.005 117.863 115.700 0.265 0.000 2.552 552 S HA 0.724 5.193 4.470 -0.002 0.000 0.314 552 S C -0.308 174.529 174.600 0.395 0.000 1.099 552 S CA -0.407 57.944 58.200 0.251 0.000 1.070 552 S CB 1.172 64.486 63.200 0.189 0.000 0.998 552 S HN 0.688 nan 8.310 nan 0.000 0.474 553 T N 1.006 115.778 114.554 0.364 0.000 2.926 553 T HA 0.888 5.237 4.350 -0.002 0.000 0.289 553 T C -0.622 174.287 174.700 0.348 0.000 1.054 553 T CA -0.658 61.693 62.100 0.420 0.000 1.015 553 T CB 1.574 70.654 68.868 0.352 0.000 1.167 553 T HN 0.973 nan 8.240 nan 0.000 0.526 554 S N 0.289 116.157 115.700 0.281 0.000 2.542 554 S HA 0.477 4.946 4.470 -0.002 0.000 0.276 554 S C -1.319 173.106 174.600 -0.292 0.000 1.148 554 S CA -0.972 57.273 58.200 0.074 0.000 0.886 554 S CB 1.734 65.030 63.200 0.161 0.000 1.109 554 S HN 1.136 nan 8.310 nan 0.000 0.458 555 Q N 1.329 120.899 119.800 -0.383 0.000 2.274 555 Q HA 0.698 5.037 4.340 -0.002 0.000 0.260 555 Q C -1.599 174.239 176.000 -0.269 0.000 0.974 555 Q CA -0.915 54.503 55.803 -0.642 0.000 0.876 555 Q CB 1.753 30.242 28.738 -0.414 0.000 1.297 555 Q HN 0.681 nan 8.270 nan 0.000 0.446 556 V N 6.611 126.384 119.914 -0.235 0.000 2.266 556 V HA 0.286 4.405 4.120 -0.002 0.000 0.266 556 V C -2.109 173.936 176.094 -0.081 0.000 1.036 556 V CA -1.234 61.000 62.300 -0.110 0.000 0.828 556 V CB 1.142 32.917 31.823 -0.079 0.000 1.081 556 V HN 0.763 nan 8.190 nan 0.000 0.449 557 P HA 0.218 nan 4.420 nan 0.000 0.231 557 P C 0.077 177.370 177.300 -0.012 0.000 1.756 557 P CA 0.316 63.403 63.100 -0.022 0.000 0.990 557 P CB 0.462 32.160 31.700 -0.003 0.000 1.973 558 A N 1.940 124.749 122.820 -0.018 0.000 2.279 558 A HA 0.347 4.666 4.320 -0.002 0.000 0.303 558 A C 1.304 178.890 177.584 0.003 0.000 1.108 558 A CA -0.592 51.441 52.037 -0.007 0.000 0.830 558 A CB 0.901 19.893 19.000 -0.012 0.000 1.106 558 A HN 0.109 nan 8.150 nan 0.000 0.493 559 K N 0.061 120.470 120.400 0.015 0.000 2.167 559 K HA 0.009 4.328 4.320 -0.002 0.000 0.203 559 K C 0.171 176.786 176.600 0.025 0.000 1.052 559 K CA 0.885 57.185 56.287 0.021 0.000 0.956 559 K CB -0.091 32.425 32.500 0.028 0.000 0.735 559 K HN 0.737 nan 8.250 nan 0.000 0.451 560 T N 1.921 116.491 114.554 0.026 0.000 2.930 560 T HA -0.036 4.314 4.350 -0.002 0.000 0.306 560 T C -0.091 174.635 174.700 0.044 0.000 1.045 560 T CA -0.080 62.043 62.100 0.037 0.000 1.134 560 T CB 0.785 69.675 68.868 0.037 0.000 0.961 560 T HN 0.029 nan 8.240 nan 0.000 0.545 561 D N 2.603 123.043 120.400 0.066 0.000 2.545 561 D HA 0.203 4.842 4.640 -0.002 0.000 0.227 561 D C 0.135 176.490 176.300 0.091 0.000 1.150 561 D CA -0.486 53.573 54.000 0.098 0.000 1.046 561 D CB -0.859 40.025 40.800 0.140 0.000 1.098 561 D HN 0.632 nan 8.370 nan 0.000 0.502 562 C N 0.316 119.656 119.300 0.067 0.000 3.259 562 C HA 0.920 5.379 4.460 -0.002 0.000 0.328 562 C C -0.499 174.520 174.990 0.049 0.000 1.425 562 C CA -0.830 58.227 59.018 0.065 0.000 1.465 562 C CB 1.411 29.178 27.740 0.046 0.000 1.890 562 C HN 0.247 nan 8.230 nan 0.000 0.450 563 V N -0.215 119.728 119.914 0.048 0.000 3.204 563 V HA 0.852 4.971 4.120 -0.002 0.000 0.298 563 V C 0.115 176.159 176.094 -0.083 0.000 1.328 563 V CA 0.775 63.092 62.300 0.028 0.000 1.035 563 V CB 2.226 34.112 31.823 0.106 0.000 1.095 563 V HN 1.671 nan 8.190 nan 0.000 0.442 564 G N 2.126 110.844 108.800 -0.136 0.000 2.597 564 G HA2 0.899 4.858 3.960 -0.002 0.000 0.317 564 G HA3 0.899 4.858 3.960 -0.002 0.000 0.317 564 G C -1.453 173.261 174.900 -0.310 0.000 1.230 564 G CA -0.505 44.345 45.100 -0.416 0.000 0.996 564 G HN 1.155 nan 8.290 nan 0.000 0.490 565 F N -2.060 117.926 119.950 0.060 0.000 2.719 565 F HA 0.778 5.304 4.527 -0.001 0.000 0.309 565 F C -1.166 174.637 175.800 0.005 0.000 1.138 565 F CA -2.159 55.772 58.000 -0.116 0.000 0.943 565 F CB 1.236 40.167 39.000 -0.115 0.000 1.304 565 F HN 0.715 nan 8.300 nan 0.000 0.445 566 F N -1.352 118.731 119.950 0.222 0.000 2.770 566 F HA 0.853 5.379 4.527 -0.001 0.000 0.313 566 F C -0.257 175.596 175.800 0.089 0.000 1.154 566 F CA -1.693 56.381 58.000 0.122 0.000 0.923 566 F CB 0.796 39.838 39.000 0.070 0.000 1.301 566 F HN 0.849 nan 8.300 nan 0.000 0.449 567 G N 0.372 109.338 108.800 0.277 0.000 2.537 567 G HA2 0.589 4.548 3.960 -0.002 0.000 0.273 567 G HA3 0.589 4.548 3.960 -0.002 0.000 0.273 567 G C -3.020 172.044 174.900 0.274 0.000 1.189 567 G CA -1.826 43.355 45.100 0.135 0.000 0.881 567 G HN 0.496 nan 8.290 nan 0.000 0.535 568 P HA 0.059 nan 4.420 nan 0.000 0.268 568 P C 1.195 178.706 177.300 0.353 0.000 1.208 568 P CA -0.265 62.935 63.100 0.168 0.000 0.777 568 P CB 0.979 32.659 31.700 -0.034 0.000 0.875 569 V N 0.865 120.918 119.914 0.231 0.000 3.306 569 V HA 0.060 4.179 4.120 -0.002 0.000 0.264 569 V C 0.614 176.744 176.094 0.060 0.000 1.149 569 V CA 0.762 63.137 62.300 0.126 0.000 1.143 569 V CB -0.845 30.969 31.823 -0.015 0.000 0.767 569 V HN 0.343 nan 8.190 nan 0.000 0.476 570 V N -5.769 114.187 119.914 0.070 0.000 3.040 570 V HA 0.646 4.765 4.120 -0.002 0.000 0.312 570 V C -2.012 174.162 176.094 0.133 0.000 1.115 570 V CA -1.895 60.372 62.300 -0.055 0.000 0.998 570 V CB 1.284 32.831 31.823 -0.461 0.000 1.042 570 V HN 0.000 nan 8.190 nan 0.000 0.433 571 P HA -0.103 nan 4.420 nan 0.000 0.215 571 P C 0.417 177.823 177.300 0.178 0.000 1.153 571 P CA 1.841 64.997 63.100 0.094 0.000 0.853 571 P CB -0.016 31.685 31.700 0.001 0.000 0.788 572 D N -1.237 119.243 120.400 0.134 0.000 2.706 572 D HA 0.220 4.859 4.640 -0.002 0.000 0.236 572 D C 0.730 177.058 176.300 0.047 0.000 1.231 572 D CA -0.313 53.736 54.000 0.081 0.000 0.828 572 D CB -0.392 40.463 40.800 0.092 0.000 1.015 572 D HN 0.043 nan 8.370 nan 0.000 0.484 573 G N -0.862 107.959 108.800 0.035 0.000 3.140 573 G HA2 0.577 4.536 3.960 -0.002 0.000 0.271 573 G HA3 0.577 4.536 3.960 -0.002 0.000 0.271 573 G C -1.643 173.174 174.900 -0.139 0.000 1.370 573 G CA -0.819 44.304 45.100 0.038 0.000 1.014 573 G HN 0.083 nan 8.290 nan 0.000 0.541 574 Y N -1.410 118.951 120.300 0.101 0.000 2.536 574 Y HA 0.613 5.161 4.550 -0.003 0.000 0.347 574 Y C 0.593 176.533 175.900 0.067 0.000 1.000 574 Y CA -0.625 57.510 58.100 0.057 0.000 1.051 574 Y CB 2.757 41.280 38.460 0.105 0.000 1.259 574 Y HN 0.709 nan 8.280 nan 0.000 0.468 575 G N 2.855 111.738 108.800 0.139 0.000 2.533 575 G HA2 0.657 4.616 3.960 -0.002 0.000 0.310 575 G HA3 0.657 4.616 3.960 -0.002 0.000 0.310 575 G C -1.267 173.540 174.900 -0.155 0.000 1.266 575 G CA -0.470 44.632 45.100 0.003 0.000 0.967 575 G HN 0.521 nan 8.290 nan 0.000 0.493 576 I N 1.980 122.555 120.570 0.009 0.000 2.418 576 I HA 0.331 4.500 4.170 -0.002 0.000 0.287 576 I C -0.435 175.805 176.117 0.204 0.000 1.008 576 I CA -0.709 60.649 61.300 0.097 0.000 1.104 576 I CB 2.003 40.122 38.000 0.198 0.000 1.264 576 I HN 0.414 nan 8.210 nan 0.000 0.438 577 C N 7.854 127.246 119.300 0.153 0.000 2.561 577 C HA 0.850 5.309 4.460 -0.002 0.000 0.319 577 C C -1.052 174.099 174.990 0.268 0.000 1.198 577 C CA -0.362 58.761 59.018 0.176 0.000 1.665 577 C CB 1.103 28.895 27.740 0.086 0.000 2.258 577 C HN 0.745 nan 8.230 nan 0.000 0.493 578 Y N 2.684 123.026 120.300 0.071 0.000 2.581 578 Y HA 0.624 5.173 4.550 -0.002 0.000 0.337 578 Y C -0.981 174.836 175.900 -0.140 0.000 1.108 578 Y CA -1.144 56.866 58.100 -0.149 0.000 1.033 578 Y CB 0.918 39.141 38.460 -0.395 0.000 1.318 578 Y HN 0.577 nan 8.280 nan 0.000 0.459 579 N N 2.848 121.501 118.700 -0.078 0.000 2.576 579 N HA 0.487 5.226 4.740 -0.002 0.000 0.269 579 N C -3.448 172.011 175.510 -0.085 0.000 1.058 579 N CA -2.475 50.533 53.050 -0.070 0.000 0.860 579 N CB 2.099 40.550 38.487 -0.059 0.000 1.249 579 N HN 0.404 nan 8.380 nan 0.000 0.525 580 P HA 0.248 nan 4.420 nan 0.000 0.282 580 P C -0.190 177.058 177.300 -0.088 0.000 1.274 580 P CA -0.250 62.822 63.100 -0.047 0.000 0.770 580 P CB 0.599 32.334 31.700 0.058 0.000 0.867 581 M N 1.745 121.223 119.600 -0.204 0.000 2.705 581 M HA 0.275 4.754 4.480 -0.002 0.000 0.272 581 M C 1.706 177.947 176.300 -0.098 0.000 1.172 581 M CA -0.894 54.277 55.300 -0.216 0.000 0.901 581 M CB 0.247 32.538 32.600 -0.514 0.000 1.516 581 M HN 0.230 nan 8.290 nan 0.000 0.530 582 E N 1.298 121.479 120.200 -0.031 0.000 2.031 582 E HA -0.054 4.295 4.350 -0.002 0.000 0.193 582 E C 1.180 177.837 176.600 0.096 0.000 0.994 582 E CA 2.264 58.688 56.400 0.041 0.000 0.800 582 E CB 0.083 29.816 29.700 0.055 0.000 0.752 582 E HN 0.694 nan 8.360 nan 0.000 0.447 583 A N -0.358 122.541 122.820 0.132 0.000 2.508 583 A HA 0.209 4.528 4.320 -0.002 0.000 0.257 583 A C -0.019 177.736 177.584 0.286 0.000 1.226 583 A CA 0.072 52.237 52.037 0.213 0.000 0.947 583 A CB -0.226 18.890 19.000 0.193 0.000 1.079 583 A HN 0.493 nan 8.150 nan 0.000 0.531 584 H N -2.277 116.872 119.070 0.133 0.000 2.948 584 H HA 0.676 5.231 4.556 -0.002 0.000 0.315 584 H C -1.998 173.404 175.328 0.123 0.000 1.360 584 H CA -1.272 54.853 56.048 0.128 0.000 1.125 584 H CB 0.709 30.521 29.762 0.084 0.000 1.844 584 H HN 0.004 nan 8.280 nan 0.000 0.529 585 I N 1.371 122.032 120.570 0.152 0.000 2.533 585 I HA 0.232 4.401 4.170 -0.002 0.000 0.290 585 I C -0.662 175.422 176.117 -0.055 0.000 1.056 585 I CA -0.592 60.643 61.300 -0.108 0.000 1.057 585 I CB 2.091 39.933 38.000 -0.264 0.000 1.240 585 I HN 0.448 nan 8.210 nan 0.000 0.423 586 N N 5.484 124.105 118.700 -0.132 0.000 2.444 586 N HA 0.542 5.281 4.740 -0.002 0.000 0.271 586 N C -1.387 174.032 175.510 -0.152 0.000 1.069 586 N CA -0.265 52.789 53.050 0.008 0.000 0.965 586 N CB 0.998 39.523 38.487 0.064 0.000 1.092 586 N HN 0.268 nan 8.380 nan 0.000 0.476 587 F N 0.486 120.540 119.950 0.174 0.000 2.577 587 F HA 0.499 5.026 4.527 0.000 0.000 0.318 587 F C 0.216 176.096 175.800 0.134 0.000 1.065 587 F CA -0.807 57.288 58.000 0.159 0.000 0.929 587 F CB 1.928 40.993 39.000 0.108 0.000 1.237 587 F HN 0.304 nan 8.300 nan 0.000 0.468 588 S N 1.041 116.954 115.700 0.355 0.000 2.547 588 S HA 0.888 5.357 4.470 -0.002 0.000 0.281 588 S C -1.659 173.022 174.600 0.134 0.000 1.118 588 S CA -0.707 57.616 58.200 0.205 0.000 0.947 588 S CB 1.587 64.929 63.200 0.235 0.000 1.053 588 S HN 0.385 nan 8.310 nan 0.000 0.482 589 V N 2.851 122.807 119.914 0.070 0.000 2.525 589 V HA 0.761 4.880 4.120 -0.002 0.000 0.299 589 V C -0.097 176.011 176.094 0.025 0.000 1.034 589 V CA -0.477 61.857 62.300 0.057 0.000 0.863 589 V CB 1.506 33.371 31.823 0.070 0.000 0.999 589 V HN 1.143 nan 8.190 nan 0.000 0.423 590 S N 3.503 119.197 115.700 -0.010 0.000 2.568 590 S HA 1.012 5.481 4.470 -0.002 0.000 0.302 590 S C -0.442 174.085 174.600 -0.122 0.000 1.082 590 S CA -0.131 58.012 58.200 -0.096 0.000 1.009 590 S CB 2.525 65.612 63.200 -0.188 0.000 1.069 590 S HN 1.656 nan 8.310 nan 0.000 0.500 591 A N 0.793 123.451 122.820 -0.269 0.000 2.599 591 A HA 0.710 5.029 4.320 -0.002 0.000 0.290 591 A C -2.270 175.059 177.584 -0.425 0.000 1.101 591 A CA -0.838 50.952 52.037 -0.411 0.000 0.674 591 A CB 0.630 19.426 19.000 -0.340 0.000 1.277 591 A HN 0.766 nan 8.150 nan 0.000 0.419 592 Y N 1.408 121.662 120.300 -0.077 0.000 2.341 592 Y HA 0.321 4.869 4.550 -0.003 0.000 0.337 592 Y C 1.382 177.261 175.900 -0.036 0.000 1.014 592 Y CA -1.095 56.989 58.100 -0.027 0.000 1.111 592 Y CB 1.428 39.888 38.460 -0.001 0.000 1.194 592 Y HN 0.719 nan 8.280 nan 0.000 0.462 593 N N 0.637 119.421 118.700 0.140 0.000 2.223 593 N HA -0.162 4.577 4.740 -0.002 0.000 0.185 593 N C 1.736 177.284 175.510 0.064 0.000 1.016 593 N CA 1.546 54.640 53.050 0.072 0.000 0.863 593 N CB -0.214 38.306 38.487 0.055 0.000 0.983 593 N HN 0.683 nan 8.380 nan 0.000 0.429 594 S N -0.595 115.152 115.700 0.077 0.000 2.465 594 S HA -0.091 4.378 4.470 -0.002 0.000 0.241 594 S C 1.289 175.910 174.600 0.035 0.000 1.000 594 S CA 0.165 58.388 58.200 0.038 0.000 0.964 594 S CB -0.617 62.587 63.200 0.007 0.000 0.763 594 S HN 0.381 nan 8.310 nan 0.000 0.512 595 C N 2.258 121.592 119.300 0.055 0.000 2.225 595 C HA 0.822 5.281 4.460 -0.002 0.000 0.323 595 C C 1.699 176.707 174.990 0.031 0.000 1.164 595 C CA -0.634 58.407 59.018 0.040 0.000 1.565 595 C CB -0.586 27.181 27.740 0.045 0.000 2.124 595 C HN 0.559 nan 8.230 nan 0.000 0.461 596 A N 3.724 126.562 122.820 0.029 0.000 2.024 596 A HA -0.106 4.213 4.320 -0.002 0.000 0.220 596 A C 1.792 179.403 177.584 0.045 0.000 1.164 596 A CA 1.736 53.792 52.037 0.031 0.000 0.643 596 A CB -0.215 18.800 19.000 0.025 0.000 0.806 596 A HN 0.889 nan 8.150 nan 0.000 0.451 597 E N 0.026 120.263 120.200 0.061 0.000 2.427 597 E HA 0.019 4.368 4.350 -0.002 0.000 0.196 597 E C 0.839 177.551 176.600 0.187 0.000 1.028 597 E CA 0.958 57.432 56.400 0.124 0.000 0.864 597 E CB -0.177 29.601 29.700 0.130 0.000 0.813 597 E HN 0.727 nan 8.360 nan 0.000 0.514 598 T N -1.047 113.552 114.554 0.075 0.000 2.895 598 T HA 0.491 4.840 4.350 -0.002 0.000 0.283 598 T C -0.306 174.418 174.700 0.039 0.000 1.014 598 T CA -1.026 61.085 62.100 0.019 0.000 1.037 598 T CB 1.549 70.163 68.868 -0.422 0.000 1.006 598 T HN -0.076 nan 8.240 nan 0.000 0.468 599 N N 0.626 119.434 118.700 0.179 0.000 2.572 599 N HA 0.334 5.073 4.740 -0.002 0.000 0.287 599 N C 0.822 176.497 175.510 0.276 0.000 1.136 599 N CA -0.248 52.892 53.050 0.151 0.000 0.900 599 N CB 1.992 40.536 38.487 0.095 0.000 1.484 599 N HN 0.768 nan 8.380 nan 0.000 0.526 600 A N 3.374 126.318 122.820 0.206 0.000 1.883 600 A HA -0.092 4.227 4.320 -0.002 0.000 0.217 600 A C 2.085 179.752 177.584 0.138 0.000 1.186 600 A CA 2.249 54.415 52.037 0.215 0.000 0.624 600 A CB -0.647 18.413 19.000 0.101 0.000 0.822 600 A HN 0.746 nan 8.150 nan 0.000 0.444 601 A N -0.473 122.406 122.820 0.098 0.000 1.877 601 A HA -0.196 4.123 4.320 -0.002 0.000 0.216 601 A C 2.281 179.933 177.584 0.115 0.000 1.186 601 A CA 1.848 53.935 52.037 0.084 0.000 0.620 601 A CB -0.535 18.498 19.000 0.055 0.000 0.822 601 A HN 0.562 nan 8.150 nan 0.000 0.443 602 R N -1.441 119.125 120.500 0.110 0.000 2.096 602 R HA -0.165 4.174 4.340 -0.002 0.000 0.235 602 R C 2.123 178.502 176.300 0.133 0.000 1.127 602 R CA 1.957 58.137 56.100 0.134 0.000 0.968 602 R CB -0.295 30.024 30.300 0.031 0.000 0.861 602 R HN 0.486 nan 8.270 nan 0.000 0.440 603 M N 0.343 119.967 119.600 0.039 0.000 2.132 603 M HA -0.016 4.463 4.480 -0.002 0.000 0.263 603 M C 2.006 178.291 176.300 -0.024 0.000 1.065 603 M CA 1.951 57.192 55.300 -0.098 0.000 1.122 603 M CB -0.259 32.154 32.600 -0.310 0.000 1.365 603 M HN 0.198 nan 8.290 nan 0.000 0.411 604 A N -1.354 121.480 122.820 0.023 0.000 1.933 604 A HA -0.227 4.092 4.320 -0.002 0.000 0.218 604 A C 2.093 179.706 177.584 0.048 0.000 1.175 604 A CA 2.173 54.207 52.037 -0.005 0.000 0.628 604 A CB -1.254 17.771 19.000 0.042 0.000 0.814 604 A HN 0.751 nan 8.150 nan 0.000 0.444 605 H N -1.920 117.180 119.070 0.049 0.000 2.321 605 H HA -0.153 4.402 4.556 -0.002 0.000 0.300 605 H C 1.733 177.076 175.328 0.026 0.000 1.087 605 H CA 2.171 58.250 56.048 0.051 0.000 1.319 605 H CB -0.364 29.449 29.762 0.085 0.000 1.379 605 H HN 0.505 nan 8.280 nan 0.000 0.501 606 Y N -0.498 119.721 120.300 -0.134 0.000 2.242 606 Y HA -0.126 4.422 4.550 -0.003 0.000 0.291 606 Y C 2.453 178.228 175.900 -0.208 0.000 1.137 606 Y CA 1.136 59.118 58.100 -0.197 0.000 1.181 606 Y CB -0.593 37.782 38.460 -0.142 0.000 0.989 606 Y HN 0.283 nan 8.280 nan 0.000 0.527 607 L N 0.587 121.768 121.223 -0.071 0.000 2.046 607 L HA -0.192 4.147 4.340 -0.002 0.000 0.208 607 L C 2.263 178.977 176.870 -0.260 0.000 1.077 607 L CA 2.089 56.796 54.840 -0.222 0.000 0.747 607 L CB -0.934 40.892 42.059 -0.388 0.000 0.896 607 L HN 0.332 nan 8.230 nan 0.000 0.432 608 E N -0.597 119.488 120.200 -0.191 0.000 2.077 608 E HA -0.318 4.031 4.350 -0.002 0.000 0.193 608 E C 2.127 178.713 176.600 -0.025 0.000 0.989 608 E CA 1.392 57.784 56.400 -0.014 0.000 0.800 608 E CB -0.074 29.682 29.700 0.093 0.000 0.746 608 E HN 0.324 nan 8.360 nan 0.000 0.452 609 K N 0.546 120.832 120.400 -0.191 0.000 2.148 609 K HA -0.009 4.310 4.320 -0.002 0.000 0.204 609 K C 1.690 178.226 176.600 -0.107 0.000 1.050 609 K CA 1.258 57.423 56.287 -0.204 0.000 0.942 609 K CB -0.404 31.866 32.500 -0.383 0.000 0.724 609 K HN 0.215 nan 8.250 nan 0.000 0.446 610 A N 0.604 123.364 122.820 -0.101 0.000 1.873 610 A HA -0.085 4.234 4.320 -0.002 0.000 0.215 610 A C 2.186 179.775 177.584 0.008 0.000 1.186 610 A CA 1.486 53.496 52.037 -0.046 0.000 0.616 610 A CB -0.699 18.268 19.000 -0.055 0.000 0.823 610 A HN 0.295 nan 8.150 nan 0.000 0.442 611 L N -0.624 120.594 121.223 -0.008 0.000 2.042 611 L HA -0.206 4.133 4.340 -0.002 0.000 0.210 611 L C 2.606 179.732 176.870 0.426 0.000 1.076 611 L CA 1.205 56.148 54.840 0.171 0.000 0.749 611 L CB -0.530 41.393 42.059 -0.228 0.000 0.893 611 L HN 0.381 nan 8.230 nan 0.000 0.432 612 L N -0.679 120.716 121.223 0.287 0.000 2.056 612 L HA -0.220 4.119 4.340 -0.002 0.000 0.207 612 L C 2.236 179.179 176.870 0.122 0.000 1.078 612 L CA 1.076 56.044 54.840 0.213 0.000 0.749 612 L CB -0.612 41.443 42.059 -0.008 0.000 0.901 612 L HN 0.275 nan 8.230 nan 0.000 0.433 613 D N -0.258 120.190 120.400 0.080 0.000 2.144 613 D HA -0.169 4.470 4.640 -0.002 0.000 0.199 613 D C 2.319 178.697 176.300 0.130 0.000 0.984 613 D CA 1.286 55.328 54.000 0.069 0.000 0.834 613 D CB -0.084 40.736 40.800 0.032 0.000 0.955 613 D HN 0.304 nan 8.370 nan 0.000 0.465 614 M N -0.059 119.647 119.600 0.177 0.000 2.132 614 M HA -0.115 4.364 4.480 -0.002 0.000 0.263 614 M C 2.312 178.800 176.300 0.312 0.000 1.065 614 M CA 1.070 56.506 55.300 0.226 0.000 1.122 614 M CB -0.078 32.569 32.600 0.078 0.000 1.365 614 M HN -0.093 nan 8.290 nan 0.000 0.411 615 R N 0.036 120.686 120.500 0.250 0.000 2.073 615 R HA -0.125 4.214 4.340 -0.002 0.000 0.234 615 R C 1.928 178.187 176.300 -0.069 0.000 1.134 615 R CA 2.064 58.065 56.100 -0.165 0.000 0.952 615 R CB -0.354 29.489 30.300 -0.762 0.000 0.850 615 R HN 0.245 nan 8.270 nan 0.000 0.433 616 T N 1.906 116.457 114.554 -0.005 0.000 2.684 616 T HA -0.174 4.175 4.350 -0.002 0.000 0.267 616 T C 1.689 176.454 174.700 0.108 0.000 1.036 616 T CA 1.403 63.519 62.100 0.025 0.000 1.148 616 T CB -0.292 68.594 68.868 0.031 0.000 0.863 616 T HN 0.175 nan 8.240 nan 0.000 0.436 617 L N 0.843 122.165 121.223 0.165 0.000 2.012 617 L HA 0.005 4.344 4.340 -0.002 0.000 0.210 617 L C 2.206 179.252 176.870 0.292 0.000 1.073 617 L CA 1.607 56.596 54.840 0.249 0.000 0.748 617 L CB -0.729 41.452 42.059 0.203 0.000 0.891 617 L HN 0.247 nan 8.230 nan 0.000 0.431 618 L N -1.006 120.372 121.223 0.259 0.000 2.017 618 L HA -0.248 4.091 4.340 -0.002 0.000 0.208 618 L C 2.651 179.651 176.870 0.218 0.000 1.073 618 L CA 1.532 56.528 54.840 0.261 0.000 0.745 618 L CB -0.628 41.650 42.059 0.365 0.000 0.894 618 L HN 0.390 nan 8.230 nan 0.000 0.432 619 Q N -0.313 119.607 119.800 0.201 0.000 2.291 619 Q HA -0.166 4.173 4.340 -0.002 0.000 0.205 619 Q C 1.402 177.422 176.000 0.034 0.000 0.970 619 Q CA 1.252 57.128 55.803 0.121 0.000 0.876 619 Q CB -0.125 28.660 28.738 0.079 0.000 0.935 619 Q HN 0.546 nan 8.270 nan 0.000 0.455 620 N N -0.656 118.045 118.700 0.001 0.000 2.353 620 N HA -0.009 4.730 4.740 -0.002 0.000 0.185 620 N C -0.398 174.832 175.510 -0.467 0.000 1.098 620 N CA 0.407 53.335 53.050 -0.204 0.000 0.872 620 N CB 0.604 38.947 38.487 -0.240 0.000 0.970 620 N HN 0.171 nan 8.380 nan 0.000 0.467 621 H N -0.565 118.536 119.070 0.051 0.000 2.379 621 H HA 0.302 4.857 4.556 -0.002 0.000 0.229 621 H C -2.471 172.882 175.328 0.041 0.000 1.423 621 H CA -1.504 54.570 56.048 0.044 0.000 1.375 621 H CB 0.541 30.332 29.762 0.048 0.000 1.592 621 H HN 0.117 nan 8.280 nan 0.000 0.507 622 P HA 0.068 nan 4.420 nan 0.000 0.274 622 P C 1.270 178.604 177.300 0.056 0.000 1.260 622 P CA -0.555 62.581 63.100 0.060 0.000 0.793 622 P CB 1.618 33.336 31.700 0.031 0.000 1.048 623 R N 0.380 120.902 120.500 0.037 0.000 2.053 623 R HA 0.401 4.740 4.340 -0.002 0.000 0.174 623 R C 0.442 176.758 176.300 0.026 0.000 0.971 623 R CA 0.919 57.037 56.100 0.030 0.000 1.242 623 R CB -1.626 28.684 30.300 0.017 0.000 0.679 623 R HN 0.618 nan 8.270 nan 0.000 0.567 624 A N 0.189 123.019 122.820 0.017 0.000 2.572 624 A HA 0.627 4.946 4.320 -0.002 0.000 0.295 624 A C -1.052 176.538 177.584 0.010 0.000 1.072 624 A CA -0.695 51.351 52.037 0.015 0.000 0.691 624 A CB 1.687 20.696 19.000 0.015 0.000 1.291 624 A HN 0.124 nan 8.150 nan 0.000 0.404 625 K N 0.000 120.405 120.400 0.009 0.000 2.780 625 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 625 K CA 0.000 56.291 56.287 0.006 0.000 0.838 625 K CB 0.000 32.503 32.500 0.006 0.000 1.064 625 K HN 0.000 nan 8.250 nan 0.000 0.543