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 1ndi_1_A DATA FIRST_RESID 30 DATA SEQUENCE AHQDALPRLP VPPLQQSLDY YLKALQPIVS EEEWAHTKQL VDEFQTSGGV DATA SEQUENCE GERLQKGLER RAKKMENWLS EWWLKTAYLQ FRQPVVIYSS PGVILPKQDF DATA SEQUENCE VDLQGQLRFA AKLIEGVLDF KSMIDNETLP VEFLGGQPLC MNQYYQILSS DATA SEQUENCE CRVPGPKQDS VVNFLKSKRP PTHITVVHNY QFFELDVYHS DGTPLTSDQI DATA SEQUENCE FVQLEKIWNS SLQSNKEPVG ILTSNHRNTW AKAYNNLIKD KVNRESVNSI DATA SEQUENCE QKSIFTVCLD KQVPRVSDDV YRNHVAGQML HGGGSKFNSG NRWFDKTLQF DATA SEQUENCE IVAEDGSCGM VYEHAAAEGP PIVALVDHVM EYTKKPELVR SPMVPLPMPK DATA SEQUENCE KLRFNITPEI KNDIEKAKQN LSIMIQDLDI MMLTFHHFGK DFPKSEKLSP DATA SEQUENCE DAFIQVALQL AYYRIYGQAC ATYESASLRM FHLGRTDTIR SASIDSLAFV DATA SEQUENCE KGMGDSTVPE QQKVELLRKA VQAHRAYTDR AIRGEAFDRH LLGLKLQAIE DATA SEQUENCE DLVSMPDIFM DTSYAIAMHF NLSTSQVPAK TDCVMFFGPV VPDGYGICYN DATA SEQUENCE PMEAHINFSV SAYNSCAETN AARMAHYLEK ALLDMRTLLQ NHPRAK 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 30 A HA 0.000 nan 4.320 nan 0.000 0.244 30 A C 0.000 177.595 177.584 0.019 0.000 1.274 30 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 30 A CB 0.000 19.001 19.000 0.002 0.000 0.831 31 H N 0.458 119.500 119.070 -0.046 0.000 2.465 31 H HA 0.140 4.696 4.556 -0.001 0.000 0.289 31 H C 1.491 176.787 175.328 -0.053 0.000 1.022 31 H CA 2.036 58.061 56.048 -0.038 0.000 1.340 31 H CB 0.255 30.002 29.762 -0.026 0.000 1.437 31 H HN 0.276 nan 8.280 nan 0.000 0.539 32 Q N 0.232 119.789 119.800 -0.405 0.000 2.515 32 Q HA -0.031 4.309 4.340 -0.001 0.000 0.212 32 Q C 0.463 176.190 176.000 -0.454 0.000 0.970 32 Q CA 0.635 56.158 55.803 -0.466 0.000 0.941 32 Q CB 0.353 28.903 28.738 -0.313 0.000 0.998 32 Q HN 0.689 nan 8.270 nan 0.000 0.518 33 D N -0.916 119.316 120.400 -0.280 0.000 2.407 33 D HA 0.154 4.794 4.640 -0.001 0.000 0.208 33 D C 0.994 177.224 176.300 -0.117 0.000 1.083 33 D CA 0.192 54.068 54.000 -0.206 0.000 0.844 33 D CB 0.792 41.511 40.800 -0.136 0.000 0.967 33 D HN 0.136 nan 8.370 nan 0.000 0.506 34 A N 0.346 123.110 122.820 -0.094 0.000 2.115 34 A HA 0.181 4.500 4.320 -0.001 0.000 0.211 34 A C 1.139 178.721 177.584 -0.003 0.000 1.169 34 A CA -0.037 51.990 52.037 -0.016 0.000 0.787 34 A CB 0.067 19.094 19.000 0.045 0.000 0.858 34 A HN 0.077 nan 8.150 nan 0.000 0.474 35 L N 2.208 123.400 121.223 -0.052 0.000 2.426 35 L HA 0.214 4.553 4.340 -0.001 0.000 0.271 35 L C -1.867 175.052 176.870 0.082 0.000 1.169 35 L CA -1.640 53.211 54.840 0.018 0.000 0.836 35 L CB 0.382 42.429 42.059 -0.020 0.000 1.112 35 L HN 0.211 nan 8.230 nan 0.000 0.465 36 P HA 0.224 nan 4.420 nan 0.000 0.274 36 P C -0.906 176.513 177.300 0.198 0.000 1.237 36 P CA -0.672 62.538 63.100 0.183 0.000 0.793 36 P CB 0.945 32.796 31.700 0.253 0.000 0.977 37 R N 0.551 121.080 120.500 0.049 0.000 2.500 37 R HA 0.359 4.699 4.340 -0.001 0.000 0.275 37 R C -0.263 175.840 176.300 -0.329 0.000 1.051 37 R CA -1.085 55.001 56.100 -0.022 0.000 1.088 37 R CB -0.466 29.842 30.300 0.012 0.000 1.063 37 R HN 0.411 nan 8.270 nan 0.000 0.511 38 L N 5.748 126.763 121.223 -0.347 0.000 2.698 38 L HA 0.122 4.462 4.340 -0.001 0.000 0.272 38 L C -1.867 174.853 176.870 -0.250 0.000 1.154 38 L CA -0.624 53.877 54.840 -0.565 0.000 0.964 38 L CB -0.130 41.733 42.059 -0.327 0.000 1.272 38 L HN 0.580 nan 8.230 nan 0.000 0.483 39 P HA 0.105 nan 4.420 nan 0.000 0.288 39 P C -1.189 176.160 177.300 0.082 0.000 1.291 39 P CA -0.324 62.708 63.100 -0.114 0.000 0.766 39 P CB 0.707 32.303 31.700 -0.173 0.000 1.242 40 V N 0.207 120.097 119.914 -0.040 0.000 2.447 40 V HA 0.270 4.389 4.120 -0.001 0.000 0.292 40 V C -2.315 173.652 176.094 -0.212 0.000 1.021 40 V CA -1.630 60.571 62.300 -0.166 0.000 0.850 40 V CB 0.965 32.581 31.823 -0.346 0.000 1.005 40 V HN 0.489 nan 8.190 nan 0.000 0.426 41 P HA 0.251 nan 4.420 nan 0.000 0.269 41 P C -2.661 174.549 177.300 -0.151 0.000 1.209 41 P CA -1.111 61.916 63.100 -0.123 0.000 0.776 41 P CB -0.039 31.659 31.700 -0.004 0.000 0.876 42 P HA -0.006 nan 4.420 nan 0.000 0.268 42 P C 0.886 178.231 177.300 0.074 0.000 1.204 42 P CA -0.119 62.971 63.100 -0.017 0.000 0.768 42 P CB 0.358 32.045 31.700 -0.022 0.000 0.842 43 L N 3.991 125.299 121.223 0.140 0.000 2.021 43 L HA -0.292 4.048 4.340 -0.001 0.000 0.215 43 L C 2.187 179.122 176.870 0.109 0.000 1.074 43 L CA 2.064 57.037 54.840 0.221 0.000 0.760 43 L CB -0.891 41.271 42.059 0.171 0.000 0.889 43 L HN 0.425 nan 8.230 nan 0.000 0.433 44 Q N -1.237 118.594 119.800 0.052 0.000 2.050 44 Q HA -0.302 4.038 4.340 -0.001 0.000 0.202 44 Q C 2.217 178.190 176.000 -0.045 0.000 0.980 44 Q CA 2.016 57.827 55.803 0.014 0.000 0.840 44 Q CB -0.333 28.411 28.738 0.010 0.000 0.898 44 Q HN 0.692 nan 8.270 nan 0.000 0.424 45 Q N 0.469 120.217 119.800 -0.088 0.000 2.002 45 Q HA -0.192 4.147 4.340 -0.001 0.000 0.204 45 Q C 2.174 177.915 176.000 -0.432 0.000 0.988 45 Q CA 1.931 57.576 55.803 -0.263 0.000 0.843 45 Q CB -0.012 28.585 28.738 -0.235 0.000 0.908 45 Q HN 0.197 nan 8.270 nan 0.000 0.420 46 S N 0.739 116.330 115.700 -0.182 0.000 2.351 46 S HA -0.134 4.336 4.470 -0.001 0.000 0.220 46 S C 1.901 176.415 174.600 -0.143 0.000 1.035 46 S CA 1.308 59.462 58.200 -0.076 0.000 1.031 46 S CB -0.450 62.910 63.200 0.266 0.000 0.928 46 S HN 0.402 nan 8.310 nan 0.000 0.433 47 L N 1.176 122.348 121.223 -0.085 0.000 2.351 47 L HA -0.219 4.120 4.340 -0.001 0.000 0.220 47 L C 2.153 179.000 176.870 -0.039 0.000 1.127 47 L CA 1.218 56.016 54.840 -0.070 0.000 0.786 47 L CB -0.515 41.524 42.059 -0.033 0.000 0.914 47 L HN 0.367 nan 8.230 nan 0.000 0.443 48 D N -0.542 119.825 120.400 -0.054 0.000 2.085 48 D HA -0.211 4.429 4.640 -0.001 0.000 0.199 48 D C 2.077 178.470 176.300 0.155 0.000 0.981 48 D CA 1.232 55.259 54.000 0.045 0.000 0.834 48 D CB -0.178 40.655 40.800 0.056 0.000 0.992 48 D HN 0.342 nan 8.370 nan 0.000 0.457 49 Y N -1.135 119.112 120.300 -0.089 0.000 2.569 49 Y HA -0.198 4.351 4.550 -0.000 0.000 0.293 49 Y C 1.751 177.454 175.900 -0.328 0.000 1.144 49 Y CA 0.151 58.186 58.100 -0.108 0.000 1.321 49 Y CB -0.089 38.350 38.460 -0.036 0.000 0.982 49 Y HN 0.188 nan 8.280 nan 0.000 0.558 50 Y N 0.617 120.559 120.300 -0.597 0.000 2.286 50 Y HA -0.137 4.413 4.550 -0.001 0.000 0.293 50 Y C 1.829 177.596 175.900 -0.223 0.000 1.124 50 Y CA 0.822 58.421 58.100 -0.836 0.000 1.178 50 Y CB -0.532 37.493 38.460 -0.726 0.000 1.010 50 Y HN 0.003 nan 8.280 nan 0.000 0.536 51 L N -0.147 120.970 121.223 -0.176 0.000 2.049 51 L HA -0.162 4.178 4.340 -0.001 0.000 0.203 51 L C 2.504 179.525 176.870 0.252 0.000 1.074 51 L CA 1.347 56.157 54.840 -0.050 0.000 0.749 51 L CB -0.518 41.565 42.059 0.041 0.000 0.907 51 L HN -0.013 nan 8.230 nan 0.000 0.439 52 K N 0.245 120.763 120.400 0.197 0.000 2.059 52 K HA -0.238 4.082 4.320 -0.001 0.000 0.212 52 K C 2.054 178.746 176.600 0.152 0.000 1.050 52 K CA 1.803 58.189 56.287 0.166 0.000 0.927 52 K CB -0.357 32.218 32.500 0.124 0.000 0.714 52 K HN 0.316 nan 8.250 nan 0.000 0.447 53 A N 0.779 123.712 122.820 0.188 0.000 2.119 53 A HA -0.029 4.291 4.320 -0.001 0.000 0.217 53 A C 1.983 179.676 177.584 0.181 0.000 1.153 53 A CA 0.853 53.030 52.037 0.233 0.000 0.692 53 A CB -0.287 18.966 19.000 0.422 0.000 0.799 53 A HN 0.168 nan 8.150 nan 0.000 0.458 54 L N -1.005 120.302 121.223 0.141 0.000 2.131 54 L HA -0.172 4.168 4.340 -0.001 0.000 0.206 54 L C 2.738 179.717 176.870 0.182 0.000 1.087 54 L CA 0.793 55.707 54.840 0.124 0.000 0.767 54 L CB -0.465 41.580 42.059 -0.023 0.000 0.917 54 L HN 0.486 nan 8.230 nan 0.000 0.441 55 Q N 0.595 120.493 119.800 0.162 0.000 2.047 55 Q HA -0.241 4.099 4.340 -0.001 0.000 0.211 55 Q C -0.643 175.342 176.000 -0.025 0.000 1.005 55 Q CA 2.162 57.924 55.803 -0.068 0.000 0.866 55 Q CB -1.479 27.090 28.738 -0.281 0.000 0.938 55 Q HN 0.441 nan 8.270 nan 0.000 0.414 56 P HA -0.117 nan 4.420 nan 0.000 0.231 56 P C 0.975 178.291 177.300 0.026 0.000 1.158 56 P CA 1.281 64.378 63.100 -0.004 0.000 0.763 56 P CB -0.156 31.541 31.700 -0.004 0.000 0.805 57 I N -3.636 116.965 120.570 0.053 0.000 4.327 57 I HA 0.205 4.374 4.170 -0.001 0.000 0.331 57 I C 0.389 176.543 176.117 0.063 0.000 1.348 57 I CA -0.436 60.900 61.300 0.059 0.000 1.152 57 I CB 0.866 38.901 38.000 0.059 0.000 1.151 57 I HN -0.306 nan 8.210 nan 0.000 0.410 58 V N -1.131 118.829 119.914 0.077 0.000 2.769 58 V HA 0.578 4.698 4.120 -0.001 0.000 0.312 58 V C 0.368 176.521 176.094 0.097 0.000 1.061 58 V CA -0.645 61.708 62.300 0.088 0.000 0.931 58 V CB 1.554 33.441 31.823 0.108 0.000 1.010 58 V HN 0.227 nan 8.190 nan 0.000 0.433 59 S N 1.686 117.439 115.700 0.089 0.000 2.554 59 S HA -0.006 4.463 4.470 -0.001 0.000 0.290 59 S C 0.949 175.618 174.600 0.114 0.000 1.309 59 S CA 0.771 59.021 58.200 0.084 0.000 1.047 59 S CB 0.301 63.546 63.200 0.075 0.000 0.828 59 S HN 0.971 nan 8.310 nan 0.000 0.509 60 E N 1.371 121.617 120.200 0.077 0.000 2.516 60 E HA -0.091 4.259 4.350 -0.001 0.000 0.199 60 E C 1.508 178.188 176.600 0.134 0.000 1.069 60 E CA 0.683 57.129 56.400 0.077 0.000 0.876 60 E CB 0.148 29.855 29.700 0.010 0.000 0.843 60 E HN 0.732 nan 8.360 nan 0.000 0.530 61 E N 1.210 121.482 120.200 0.121 0.000 2.038 61 E HA -0.118 4.231 4.350 -0.001 0.000 0.190 61 E C 1.458 178.149 176.600 0.151 0.000 0.967 61 E CA 1.145 57.613 56.400 0.113 0.000 0.816 61 E CB 0.088 29.833 29.700 0.075 0.000 0.784 61 E HN 0.180 nan 8.360 nan 0.000 0.456 62 E N -0.350 119.940 120.200 0.149 0.000 2.118 62 E HA -0.204 4.145 4.350 -0.001 0.000 0.195 62 E C 1.773 178.459 176.600 0.143 0.000 0.992 62 E CA 1.103 57.593 56.400 0.151 0.000 0.804 62 E CB -0.413 29.355 29.700 0.112 0.000 0.741 62 E HN 0.418 nan 8.360 nan 0.000 0.458 63 W N 1.567 122.869 121.300 0.003 0.000 2.363 63 W HA -0.157 4.503 4.660 -0.000 0.000 0.296 63 W C 2.399 178.911 176.519 -0.011 0.000 1.212 63 W CA 1.852 59.176 57.345 -0.035 0.000 1.260 63 W CB -0.085 29.349 29.460 -0.042 0.000 1.131 63 W HN 0.044 nan 8.180 nan 0.000 0.530 64 A N -0.967 122.056 122.820 0.337 0.000 1.898 64 A HA -0.265 4.054 4.320 -0.001 0.000 0.216 64 A C 1.878 179.483 177.584 0.035 0.000 1.181 64 A CA 1.938 54.108 52.037 0.222 0.000 0.620 64 A CB -1.473 17.664 19.000 0.228 0.000 0.819 64 A HN 0.647 nan 8.150 nan 0.000 0.442 65 H N -0.490 118.545 119.070 -0.059 0.000 2.267 65 H HA -0.137 4.419 4.556 -0.001 0.000 0.297 65 H C 2.194 177.420 175.328 -0.171 0.000 1.080 65 H CA 1.790 57.788 56.048 -0.084 0.000 1.278 65 H CB 0.038 29.771 29.762 -0.048 0.000 1.365 65 H HN 0.440 nan 8.280 nan 0.000 0.489 66 T N 0.646 115.058 114.554 -0.236 0.000 2.737 66 T HA -0.188 4.162 4.350 -0.001 0.000 0.269 66 T C 1.902 176.334 174.700 -0.447 0.000 1.040 66 T CA 1.635 63.489 62.100 -0.409 0.000 1.142 66 T CB -0.223 68.334 68.868 -0.518 0.000 0.861 66 T HN 0.213 nan 8.240 nan 0.000 0.456 67 K N 1.557 121.592 120.400 -0.608 0.000 2.032 67 K HA -0.135 4.185 4.320 -0.001 0.000 0.209 67 K C 2.303 178.751 176.600 -0.253 0.000 1.048 67 K CA 1.636 57.563 56.287 -0.599 0.000 0.927 67 K CB -0.404 31.675 32.500 -0.701 0.000 0.712 67 K HN 0.458 nan 8.250 nan 0.000 0.441 68 Q N -0.158 119.562 119.800 -0.134 0.000 2.079 68 Q HA -0.040 4.300 4.340 -0.001 0.000 0.200 68 Q C 2.261 178.241 176.000 -0.034 0.000 0.974 68 Q CA 1.427 57.205 55.803 -0.041 0.000 0.840 68 Q CB -0.161 28.590 28.738 0.021 0.000 0.898 68 Q HN 0.248 nan 8.270 nan 0.000 0.430 69 L N 0.151 121.341 121.223 -0.056 0.000 2.042 69 L HA -0.207 4.133 4.340 -0.001 0.000 0.210 69 L C 2.318 179.157 176.870 -0.052 0.000 1.076 69 L CA 0.925 55.724 54.840 -0.068 0.000 0.749 69 L CB -0.406 41.544 42.059 -0.180 0.000 0.893 69 L HN 0.129 nan 8.230 nan 0.000 0.432 70 V N -0.289 119.562 119.914 -0.105 0.000 2.427 70 V HA -0.257 3.862 4.120 -0.001 0.000 0.248 70 V C 2.061 178.167 176.094 0.021 0.000 1.051 70 V CA 1.747 64.011 62.300 -0.061 0.000 1.048 70 V CB -0.580 31.170 31.823 -0.121 0.000 0.666 70 V HN 0.475 nan 8.190 nan 0.000 0.456 71 D N -0.015 120.378 120.400 -0.013 0.000 2.117 71 D HA -0.198 4.442 4.640 -0.001 0.000 0.197 71 D C 2.113 178.430 176.300 0.029 0.000 0.987 71 D CA 1.421 55.426 54.000 0.008 0.000 0.829 71 D CB -0.085 40.712 40.800 -0.006 0.000 0.961 71 D HN 0.513 nan 8.370 nan 0.000 0.460 72 E N 0.185 120.404 120.200 0.033 0.000 2.077 72 E HA -0.160 4.189 4.350 -0.001 0.000 0.193 72 E C 1.865 178.491 176.600 0.043 0.000 0.989 72 E CA 0.549 56.967 56.400 0.030 0.000 0.800 72 E CB -0.407 29.312 29.700 0.030 0.000 0.746 72 E HN 0.159 nan 8.360 nan 0.000 0.452 73 F N 1.829 121.733 119.950 -0.076 0.000 2.069 73 F HA -0.185 4.342 4.527 -0.001 0.000 0.298 73 F C 1.961 177.725 175.800 -0.060 0.000 1.113 73 F CA 2.163 60.111 58.000 -0.086 0.000 1.214 73 F CB -0.255 38.670 39.000 -0.126 0.000 0.978 73 F HN 0.169 nan 8.300 nan 0.000 0.474 74 Q N -0.013 119.853 119.800 0.111 0.000 2.253 74 Q HA 0.071 4.411 4.340 -0.001 0.000 0.210 74 Q C 0.478 176.467 176.000 -0.018 0.000 0.907 74 Q CA 0.235 56.056 55.803 0.030 0.000 0.948 74 Q CB -0.785 28.005 28.738 0.086 0.000 1.033 74 Q HN 0.197 nan 8.270 nan 0.000 0.471 75 T N 1.285 115.814 114.554 -0.042 0.000 2.888 75 T HA -0.021 4.328 4.350 -0.001 0.000 0.301 75 T C 0.119 174.789 174.700 -0.050 0.000 1.001 75 T CA 0.061 62.139 62.100 -0.037 0.000 1.147 75 T CB 0.918 69.762 68.868 -0.040 0.000 0.931 75 T HN 0.419 nan 8.240 nan 0.000 0.541 76 S N 3.839 119.519 115.700 -0.034 0.000 2.671 76 S HA 0.377 4.847 4.470 -0.001 0.000 0.331 76 S C 1.135 175.710 174.600 -0.041 0.000 1.182 76 S CA 0.437 58.616 58.200 -0.035 0.000 1.276 76 S CB -1.410 61.777 63.200 -0.022 0.000 1.360 76 S HN 1.446 nan 8.310 nan 0.000 0.563 77 G N 2.744 111.510 108.800 -0.056 0.000 2.189 77 G HA2 0.041 4.000 3.960 -0.001 0.000 0.113 77 G HA3 0.041 4.000 3.960 -0.001 0.000 0.113 77 G C 0.190 175.045 174.900 -0.074 0.000 1.038 77 G CA -0.315 44.751 45.100 -0.057 0.000 0.704 77 G HN 1.157 nan 8.290 nan 0.000 0.490 78 G N -1.469 107.266 108.800 -0.108 0.000 3.108 78 G HA2 0.720 4.680 3.960 -0.001 0.000 0.268 78 G HA3 0.720 4.680 3.960 -0.001 0.000 0.268 78 G C 1.119 175.896 174.900 -0.205 0.000 1.361 78 G CA 0.378 45.393 45.100 -0.141 0.000 1.047 78 G HN 0.700 nan 8.290 nan 0.000 0.540 79 V N 1.105 120.861 119.914 -0.263 0.000 2.219 79 V HA -0.157 3.963 4.120 -0.001 0.000 0.248 79 V C 3.233 179.051 176.094 -0.460 0.000 1.053 79 V CA 2.841 64.952 62.300 -0.316 0.000 1.009 79 V CB -1.416 30.207 31.823 -0.333 0.000 0.636 79 V HN 0.897 nan 8.190 nan 0.000 0.445 80 G N -0.593 107.644 108.800 -0.938 0.000 2.624 80 G HA2 -0.412 3.548 3.960 -0.001 0.000 0.221 80 G HA3 -0.412 3.548 3.960 -0.001 0.000 0.221 80 G C 1.542 176.257 174.900 -0.308 0.000 1.169 80 G CA 1.344 45.874 45.100 -0.950 0.000 0.771 80 G HN 0.646 nan 8.290 nan 0.000 0.598 81 E N -0.102 119.962 120.200 -0.227 0.000 2.160 81 E HA -0.176 4.173 4.350 -0.001 0.000 0.195 81 E C 2.587 179.136 176.600 -0.085 0.000 0.991 81 E CA 0.940 57.275 56.400 -0.109 0.000 0.810 81 E CB -0.051 29.594 29.700 -0.092 0.000 0.742 81 E HN 0.386 nan 8.360 nan 0.000 0.466 82 R N 0.045 120.481 120.500 -0.106 0.000 2.057 82 R HA 0.027 4.367 4.340 -0.001 0.000 0.229 82 R C 2.477 178.753 176.300 -0.040 0.000 1.136 82 R CA 1.159 57.219 56.100 -0.068 0.000 0.952 82 R CB -0.248 30.010 30.300 -0.070 0.000 0.848 82 R HN 0.206 nan 8.270 nan 0.000 0.430 83 L N 0.219 121.420 121.223 -0.036 0.000 2.131 83 L HA -0.186 4.154 4.340 -0.001 0.000 0.210 83 L C 2.425 179.316 176.870 0.036 0.000 1.092 83 L CA 1.130 55.986 54.840 0.025 0.000 0.759 83 L CB -0.399 41.707 42.059 0.079 0.000 0.903 83 L HN 0.258 nan 8.230 nan 0.000 0.435 84 Q N 0.862 120.680 119.800 0.029 0.000 2.124 84 Q HA -0.245 4.095 4.340 -0.001 0.000 0.202 84 Q C 2.064 178.044 176.000 -0.033 0.000 0.977 84 Q CA 1.699 57.525 55.803 0.038 0.000 0.850 84 Q CB -0.057 28.712 28.738 0.052 0.000 0.901 84 Q HN 0.104 nan 8.270 nan 0.000 0.429 85 K N -0.668 119.711 120.400 -0.035 0.000 2.147 85 K HA -0.038 4.282 4.320 -0.001 0.000 0.205 85 K C 1.739 178.306 176.600 -0.054 0.000 1.049 85 K CA 1.364 57.622 56.287 -0.047 0.000 0.936 85 K CB -0.830 31.648 32.500 -0.037 0.000 0.722 85 K HN 0.361 nan 8.250 nan 0.000 0.446 86 G N 0.627 109.407 108.800 -0.034 0.000 2.453 86 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.215 86 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.215 86 G C 1.387 176.239 174.900 -0.079 0.000 1.201 86 G CA 1.032 46.118 45.100 -0.023 0.000 0.784 86 G HN 0.282 nan 8.290 nan 0.000 0.545 87 L N 0.452 121.588 121.223 -0.145 0.000 2.131 87 L HA -0.024 4.316 4.340 -0.001 0.000 0.210 87 L C 2.447 179.069 176.870 -0.414 0.000 1.092 87 L CA 0.908 55.513 54.840 -0.393 0.000 0.759 87 L CB -0.389 41.292 42.059 -0.631 0.000 0.903 87 L HN 0.278 nan 8.230 nan 0.000 0.435 88 E N -0.183 119.864 120.200 -0.255 0.000 2.512 88 E HA -0.082 4.268 4.350 -0.001 0.000 0.195 88 E C 1.720 178.244 176.600 -0.126 0.000 1.083 88 E CA 0.168 56.454 56.400 -0.191 0.000 0.873 88 E CB 0.268 29.889 29.700 -0.132 0.000 0.897 88 E HN 0.421 nan 8.360 nan 0.000 0.514 89 R N -0.053 120.375 120.500 -0.119 0.000 2.350 89 R HA 0.152 4.492 4.340 -0.001 0.000 0.199 89 R C 2.059 178.320 176.300 -0.064 0.000 0.876 89 R CA -0.189 55.868 56.100 -0.072 0.000 1.062 89 R CB 0.415 30.684 30.300 -0.053 0.000 1.263 89 R HN -0.125 nan 8.270 nan 0.000 0.641 90 R N 0.382 120.830 120.500 -0.087 0.000 2.357 90 R HA 0.016 4.356 4.340 -0.001 0.000 0.202 90 R C 1.102 177.412 176.300 0.016 0.000 1.047 90 R CA 1.082 57.147 56.100 -0.059 0.000 1.034 90 R CB 0.159 30.407 30.300 -0.088 0.000 0.875 90 R HN 0.183 nan 8.270 nan 0.000 0.473 91 A N 0.303 123.120 122.820 -0.006 0.000 1.973 91 A HA 0.059 4.379 4.320 -0.001 0.000 0.210 91 A C 1.635 179.242 177.584 0.038 0.000 1.200 91 A CA 0.304 52.387 52.037 0.078 0.000 0.707 91 A CB 0.151 19.180 19.000 0.049 0.000 0.862 91 A HN 0.186 nan 8.150 nan 0.000 0.461 92 K N 0.184 120.583 120.400 -0.000 0.000 2.366 92 K HA -0.059 4.261 4.320 -0.001 0.000 0.198 92 K C 0.722 177.321 176.600 -0.002 0.000 1.044 92 K CA 1.333 57.618 56.287 -0.003 0.000 0.973 92 K CB -0.017 32.474 32.500 -0.016 0.000 0.767 92 K HN 0.661 nan 8.250 nan 0.000 0.475 93 K N 0.008 120.405 120.400 -0.004 0.000 2.646 93 K HA 0.308 4.628 4.320 -0.001 0.000 0.206 93 K C -0.268 176.326 176.600 -0.009 0.000 1.069 93 K CA -0.167 56.115 56.287 -0.009 0.000 1.067 93 K CB 0.477 32.966 32.500 -0.019 0.000 0.807 93 K HN -0.128 nan 8.250 nan 0.000 0.482 94 M N 0.527 120.131 119.600 0.007 0.000 2.426 94 M HA 0.153 4.633 4.480 -0.001 0.000 0.289 94 M C -0.233 176.085 176.300 0.031 0.000 1.168 94 M CA -0.481 54.823 55.300 0.006 0.000 0.933 94 M CB 2.577 35.172 32.600 -0.008 0.000 1.750 94 M HN 0.016 nan 8.290 nan 0.000 0.494 95 E N 1.056 121.271 120.200 0.026 0.000 2.038 95 E HA -0.142 4.207 4.350 -0.001 0.000 0.195 95 E C 0.182 176.789 176.600 0.011 0.000 1.000 95 E CA 1.354 57.792 56.400 0.063 0.000 0.803 95 E CB 0.139 29.882 29.700 0.072 0.000 0.750 95 E HN 0.443 nan 8.360 nan 0.000 0.448 96 N N -0.461 118.200 118.700 -0.065 0.000 2.430 96 N HA 0.011 4.751 4.740 -0.001 0.000 0.290 96 N C -0.355 175.086 175.510 -0.115 0.000 1.063 96 N CA -0.721 52.250 53.050 -0.131 0.000 0.883 96 N CB 0.640 38.992 38.487 -0.225 0.000 1.465 96 N HN 0.222 nan 8.380 nan 0.000 0.493 97 W N 3.466 124.717 121.300 -0.082 0.000 2.961 97 W HA 0.131 4.791 4.660 -0.001 0.000 0.240 97 W C -0.368 176.110 176.519 -0.068 0.000 1.305 97 W CA -0.083 57.190 57.345 -0.121 0.000 1.465 97 W CB -0.069 29.337 29.460 -0.091 0.000 1.135 97 W HN 0.393 nan 8.180 nan 0.000 0.688 98 L N 1.151 122.052 121.223 -0.536 0.000 2.717 98 L HA 0.217 4.557 4.340 -0.001 0.000 0.239 98 L C 2.306 179.150 176.870 -0.044 0.000 1.086 98 L CA 0.904 55.523 54.840 -0.368 0.000 0.897 98 L CB -0.430 41.116 42.059 -0.855 0.000 1.214 98 L HN -0.215 nan 8.230 nan 0.000 0.508 99 S N 0.398 116.034 115.700 -0.106 0.000 2.427 99 S HA -0.325 4.145 4.470 -0.001 0.000 0.231 99 S C 1.732 176.396 174.600 0.107 0.000 1.045 99 S CA 2.234 60.435 58.200 0.001 0.000 1.154 99 S CB -0.380 62.784 63.200 -0.059 0.000 1.093 99 S HN 0.554 nan 8.310 nan 0.000 0.422 100 E N -0.328 119.900 120.200 0.047 0.000 2.058 100 E HA -0.179 4.171 4.350 -0.001 0.000 0.194 100 E C 2.015 178.748 176.600 0.221 0.000 0.997 100 E CA 1.293 57.742 56.400 0.082 0.000 0.801 100 E CB -0.120 29.572 29.700 -0.015 0.000 0.746 100 E HN 0.526 nan 8.360 nan 0.000 0.450 101 W N 0.640 121.993 121.300 0.088 0.000 2.317 101 W HA -0.239 4.420 4.660 -0.001 0.000 0.318 101 W C 2.228 178.790 176.519 0.072 0.000 1.227 101 W CA 0.677 58.074 57.345 0.087 0.000 1.269 101 W CB -1.449 28.094 29.460 0.137 0.000 1.155 101 W HN 0.410 nan 8.180 nan 0.000 0.484 102 W N 0.553 121.978 121.300 0.208 0.000 2.358 102 W HA -0.237 4.423 4.660 -0.001 0.000 0.303 102 W C 2.119 178.667 176.519 0.050 0.000 1.208 102 W CA 1.547 58.930 57.345 0.064 0.000 1.274 102 W CB -0.793 28.681 29.460 0.023 0.000 1.138 102 W HN -0.149 nan 8.180 nan 0.000 0.515 103 L N 2.027 123.333 121.223 0.139 0.000 2.046 103 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 103 L C 2.638 179.532 176.870 0.038 0.000 1.077 103 L CA 2.545 57.476 54.840 0.151 0.000 0.747 103 L CB -1.105 41.077 42.059 0.205 0.000 0.896 103 L HN -0.108 nan 8.230 nan 0.000 0.432 104 K N -1.518 118.902 120.400 0.033 0.000 2.031 104 K HA -0.135 4.184 4.320 -0.001 0.000 0.205 104 K C 1.884 178.428 176.600 -0.094 0.000 1.049 104 K CA 1.813 58.111 56.287 0.018 0.000 0.939 104 K CB -0.229 32.325 32.500 0.090 0.000 0.717 104 K HN 0.352 nan 8.250 nan 0.000 0.438 105 T N 0.789 115.237 114.554 -0.177 0.000 2.674 105 T HA -0.090 4.260 4.350 -0.001 0.000 0.265 105 T C 1.883 176.268 174.700 -0.525 0.000 1.039 105 T CA 1.485 63.405 62.100 -0.300 0.000 1.150 105 T CB -0.263 68.428 68.868 -0.295 0.000 0.864 105 T HN 0.428 nan 8.240 nan 0.000 0.427 106 A N -0.384 121.856 122.820 -0.965 0.000 1.968 106 A HA 0.090 4.410 4.320 -0.001 0.000 0.217 106 A C 1.676 178.544 177.584 -1.192 0.000 1.169 106 A CA 1.104 52.297 52.037 -1.407 0.000 0.638 106 A CB -0.384 17.147 19.000 -2.450 0.000 0.812 106 A HN 0.657 nan 8.150 nan 0.000 0.446 107 Y N -1.915 118.186 120.300 -0.331 0.000 2.886 107 Y HA 0.299 4.849 4.550 -0.001 0.000 0.244 107 Y C 1.967 177.850 175.900 -0.028 0.000 1.017 107 Y CA -0.255 57.750 58.100 -0.159 0.000 1.389 107 Y CB -0.346 38.036 38.460 -0.130 0.000 1.477 107 Y HN -0.005 nan 8.280 nan 0.000 0.466 108 L N 0.611 121.919 121.223 0.140 0.000 2.051 108 L HA -0.315 4.024 4.340 -0.001 0.000 0.214 108 L C 2.092 178.992 176.870 0.050 0.000 1.076 108 L CA 1.888 56.780 54.840 0.088 0.000 0.758 108 L CB -0.510 41.590 42.059 0.069 0.000 0.890 108 L HN 0.423 nan 8.230 nan 0.000 0.433 109 Q N -1.107 118.705 119.800 0.020 0.000 2.331 109 Q HA -0.053 4.286 4.340 -0.001 0.000 0.203 109 Q C 0.399 176.410 176.000 0.017 0.000 0.944 109 Q CA -0.098 55.706 55.803 0.002 0.000 0.892 109 Q CB 0.189 28.910 28.738 -0.027 0.000 0.983 109 Q HN 0.244 nan 8.270 nan 0.000 0.482 110 F N 2.301 122.179 119.950 -0.119 0.000 2.495 110 F HA -0.065 4.462 4.527 -0.001 0.000 0.370 110 F C 0.746 176.477 175.800 -0.114 0.000 1.117 110 F CA 0.196 58.121 58.000 -0.126 0.000 1.060 110 F CB 0.365 39.285 39.000 -0.134 0.000 1.065 110 F HN -0.134 nan 8.300 nan 0.000 0.571 111 R N 2.872 123.099 120.500 -0.455 0.000 2.313 111 R HA 0.048 4.387 4.340 -0.001 0.000 0.199 111 R C 0.659 176.446 176.300 -0.855 0.000 0.958 111 R CA 0.216 56.025 56.100 -0.484 0.000 1.047 111 R CB -0.398 29.760 30.300 -0.237 0.000 0.955 111 R HN 0.619 nan 8.270 nan 0.000 0.481 112 Q N 0.910 120.059 119.800 -1.085 0.000 2.471 112 Q HA 0.228 4.567 4.340 -0.001 0.000 0.223 112 Q C -2.069 173.698 176.000 -0.387 0.000 1.045 112 Q CA -1.805 53.502 55.803 -0.826 0.000 0.956 112 Q CB -0.147 27.919 28.738 -1.120 0.000 1.249 112 Q HN -0.044 nan 8.270 nan 0.000 0.549 113 P HA -0.104 nan 4.420 nan 0.000 0.271 113 P C 0.762 178.194 177.300 0.219 0.000 1.238 113 P CA 0.198 63.357 63.100 0.099 0.000 0.794 113 P CB 0.433 32.238 31.700 0.175 0.000 0.959 114 V N -1.250 118.712 119.914 0.079 0.000 2.725 114 V HA 0.018 4.137 4.120 -0.001 0.000 0.247 114 V C 0.759 176.862 176.094 0.015 0.000 1.058 114 V CA 0.733 63.098 62.300 0.110 0.000 1.080 114 V CB -0.741 31.126 31.823 0.074 0.000 0.713 114 V HN 0.110 nan 8.190 nan 0.000 0.465 115 V N 2.248 122.061 119.914 -0.168 0.000 2.599 115 V HA 0.197 4.317 4.120 -0.001 0.000 0.300 115 V C 1.465 177.338 176.094 -0.367 0.000 1.034 115 V CA 1.007 63.120 62.300 -0.312 0.000 1.115 115 V CB 0.135 31.633 31.823 -0.541 0.000 0.934 115 V HN 0.627 nan 8.190 nan 0.000 0.485 116 I N 1.195 121.641 120.570 -0.206 0.000 4.014 116 I HA -0.432 3.738 4.170 -0.001 0.000 0.127 116 I C 1.283 177.344 176.117 -0.093 0.000 0.414 116 I CA 1.988 63.180 61.300 -0.180 0.000 1.230 116 I CB -1.257 36.528 38.000 -0.359 0.000 1.086 116 I HN 0.684 nan 8.210 nan 0.000 0.197 117 Y N -0.844 119.558 120.300 0.170 0.000 2.503 117 Y HA 0.075 4.624 4.550 -0.001 0.000 0.278 117 Y C 2.386 178.325 175.900 0.065 0.000 1.111 117 Y CA 0.893 59.115 58.100 0.202 0.000 1.270 117 Y CB 0.256 38.940 38.460 0.373 0.000 1.063 117 Y HN 0.312 nan 8.280 nan 0.000 0.548 118 S N -1.331 114.468 115.700 0.166 0.000 3.325 118 S HA 0.110 4.579 4.470 -0.001 0.000 0.254 118 S C 0.486 175.089 174.600 0.005 0.000 1.084 118 S CA -0.227 58.002 58.200 0.049 0.000 0.786 118 S CB -0.380 62.889 63.200 0.115 0.000 0.849 118 S HN 0.058 nan 8.310 nan 0.000 0.483 119 S N 4.353 120.032 115.700 -0.035 0.000 2.414 119 S HA 0.419 4.889 4.470 -0.001 0.000 0.290 119 S C -2.758 171.710 174.600 -0.219 0.000 1.160 119 S CA -0.706 57.384 58.200 -0.184 0.000 1.069 119 S CB 0.884 64.043 63.200 -0.069 0.000 1.012 119 S HN 0.386 nan 8.310 nan 0.000 0.510 120 P HA 0.221 nan 4.420 nan 0.000 0.271 120 P C 0.507 177.585 177.300 -0.370 0.000 1.226 120 P CA -0.004 62.935 63.100 -0.269 0.000 0.765 120 P CB 0.493 32.059 31.700 -0.223 0.000 0.835 121 G N 2.004 110.413 108.800 -0.651 0.000 2.588 121 G HA2 0.554 4.514 3.960 -0.001 0.000 0.281 121 G HA3 0.554 4.514 3.960 -0.001 0.000 0.281 121 G C -1.064 173.271 174.900 -0.941 0.000 1.236 121 G CA -0.431 44.172 45.100 -0.828 0.000 0.969 121 G HN 0.387 nan 8.290 nan 0.000 0.504 122 V N -0.195 119.431 119.914 -0.480 0.000 2.969 122 V HA 0.428 4.547 4.120 -0.001 0.000 0.304 122 V C -0.724 175.454 176.094 0.139 0.000 1.192 122 V CA -0.511 61.704 62.300 -0.140 0.000 0.962 122 V CB 2.056 33.812 31.823 -0.112 0.000 1.045 122 V HN 0.647 nan 8.190 nan 0.000 0.428 123 I N 4.279 124.984 120.570 0.226 0.000 2.436 123 I HA 0.526 4.695 4.170 -0.001 0.000 0.289 123 I C -0.775 175.408 176.117 0.111 0.000 1.010 123 I CA -0.381 61.028 61.300 0.180 0.000 1.098 123 I CB 1.724 39.830 38.000 0.177 0.000 1.266 123 I HN 0.377 nan 8.210 nan 0.000 0.434 124 L N 6.781 128.062 121.223 0.097 0.000 2.313 124 L HA 0.584 4.924 4.340 -0.001 0.000 0.268 124 L C -2.354 174.562 176.870 0.077 0.000 1.010 124 L CA -2.160 52.734 54.840 0.091 0.000 0.814 124 L CB 0.953 43.083 42.059 0.119 0.000 1.304 124 L HN 0.260 nan 8.230 nan 0.000 0.441 125 P HA -0.033 nan 4.420 nan 0.000 0.260 125 P C -0.763 176.530 177.300 -0.012 0.000 1.185 125 P CA 0.072 63.191 63.100 0.032 0.000 0.763 125 P CB 0.274 31.993 31.700 0.032 0.000 0.776 126 K N 3.989 124.371 120.400 -0.029 0.000 2.472 126 K HA -0.029 4.291 4.320 -0.001 0.000 0.280 126 K C 0.371 176.836 176.600 -0.224 0.000 1.028 126 K CA -0.119 56.109 56.287 -0.098 0.000 1.045 126 K CB 0.315 32.782 32.500 -0.056 0.000 0.902 126 K HN 0.377 nan 8.250 nan 0.000 0.478 127 Q N 2.254 121.811 119.800 -0.406 0.000 2.382 127 Q HA 0.001 4.340 4.340 -0.001 0.000 0.229 127 Q C 0.367 175.984 176.000 -0.638 0.000 1.006 127 Q CA 0.191 55.640 55.803 -0.590 0.000 0.916 127 Q CB 1.094 29.288 28.738 -0.907 0.000 1.235 127 Q HN 0.823 nan 8.270 nan 0.000 0.512 128 D N -1.340 118.774 120.400 -0.477 0.000 2.354 128 D HA -0.011 4.629 4.640 -0.001 0.000 0.209 128 D C 0.272 176.385 176.300 -0.311 0.000 1.015 128 D CA -0.150 53.642 54.000 -0.348 0.000 0.867 128 D CB -0.347 40.348 40.800 -0.175 0.000 0.933 128 D HN 0.364 nan 8.370 nan 0.000 0.520 129 F N 1.071 120.954 119.950 -0.112 0.000 2.646 129 F HA 0.220 4.746 4.527 -0.000 0.000 0.363 129 F C 0.707 176.476 175.800 -0.052 0.000 1.143 129 F CA -1.119 56.836 58.000 -0.076 0.000 1.356 129 F CB 0.324 39.283 39.000 -0.069 0.000 1.055 129 F HN -0.073 nan 8.300 nan 0.000 0.606 130 V N -0.561 119.468 119.914 0.192 0.000 2.872 130 V HA 0.443 4.562 4.120 -0.001 0.000 0.367 130 V C -1.144 175.022 176.094 0.119 0.000 1.343 130 V CA -0.014 62.355 62.300 0.115 0.000 1.219 130 V CB -0.686 31.155 31.823 0.031 0.000 1.308 130 V HN 1.064 nan 8.190 nan 0.000 0.610 131 D N -0.629 119.864 120.400 0.155 0.000 2.694 131 D HA 0.134 4.774 4.640 -0.001 0.000 0.260 131 D C 0.260 176.566 176.300 0.010 0.000 1.250 131 D CA -0.720 53.326 54.000 0.076 0.000 0.763 131 D CB 1.273 42.098 40.800 0.042 0.000 1.311 131 D HN -0.107 nan 8.370 nan 0.000 0.420 132 L N 0.446 121.654 121.223 -0.025 0.000 2.642 132 L HA -0.101 4.239 4.340 -0.001 0.000 0.236 132 L C 1.892 178.537 176.870 -0.375 0.000 1.169 132 L CA 1.648 56.380 54.840 -0.180 0.000 0.851 132 L CB -1.647 40.388 42.059 -0.041 0.000 0.968 132 L HN 0.606 nan 8.230 nan 0.000 0.453 133 Q N -1.672 117.999 119.800 -0.215 0.000 2.391 133 Q HA 0.119 4.459 4.340 -0.001 0.000 0.243 133 Q C 1.881 177.767 176.000 -0.190 0.000 0.874 133 Q CA 1.022 56.721 55.803 -0.174 0.000 0.950 133 Q CB -0.485 28.215 28.738 -0.064 0.000 1.103 133 Q HN 0.114 nan 8.270 nan 0.000 0.544 134 G N 0.722 109.410 108.800 -0.188 0.000 2.430 134 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.216 134 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.216 134 G C 1.367 175.876 174.900 -0.653 0.000 1.146 134 G CA 0.553 45.525 45.100 -0.213 0.000 0.793 134 G HN 0.440 nan 8.290 nan 0.000 0.537 135 Q N -0.117 119.200 119.800 -0.807 0.000 2.084 135 Q HA -0.015 4.325 4.340 -0.001 0.000 0.202 135 Q C 2.444 178.097 176.000 -0.579 0.000 0.978 135 Q CA 1.023 56.165 55.803 -1.101 0.000 0.844 135 Q CB -0.211 28.226 28.738 -0.502 0.000 0.898 135 Q HN 0.497 nan 8.270 nan 0.000 0.426 136 L N -0.085 120.895 121.223 -0.404 0.000 2.109 136 L HA -0.120 4.219 4.340 -0.001 0.000 0.207 136 L C 2.702 179.550 176.870 -0.037 0.000 1.086 136 L CA 0.530 55.250 54.840 -0.200 0.000 0.760 136 L CB -0.537 41.404 42.059 -0.197 0.000 0.910 136 L HN 0.157 nan 8.230 nan 0.000 0.437 137 R N 0.102 120.523 120.500 -0.132 0.000 2.094 137 R HA -0.211 4.129 4.340 -0.001 0.000 0.239 137 R C 2.236 178.516 176.300 -0.033 0.000 1.137 137 R CA 1.736 57.726 56.100 -0.184 0.000 0.943 137 R CB -1.045 29.105 30.300 -0.250 0.000 0.850 137 R HN 0.240 nan 8.270 nan 0.000 0.433 138 F N 1.283 121.109 119.950 -0.207 0.000 2.075 138 F HA -0.159 4.368 4.527 -0.000 0.000 0.297 138 F C 2.301 178.081 175.800 -0.033 0.000 1.113 138 F CA 1.174 59.131 58.000 -0.072 0.000 1.218 138 F CB -0.830 38.158 39.000 -0.019 0.000 0.984 138 F HN 0.071 nan 8.300 nan 0.000 0.472 139 A N 0.577 123.318 122.820 -0.133 0.000 1.903 139 A HA -0.227 4.093 4.320 -0.001 0.000 0.219 139 A C 2.490 179.978 177.584 -0.160 0.000 1.191 139 A CA 2.679 54.611 52.037 -0.176 0.000 0.638 139 A CB -1.704 17.252 19.000 -0.073 0.000 0.823 139 A HN 0.562 nan 8.150 nan 0.000 0.451 140 A N -0.940 121.840 122.820 -0.066 0.000 1.865 140 A HA -0.182 4.138 4.320 -0.001 0.000 0.217 140 A C 2.163 179.706 177.584 -0.069 0.000 1.191 140 A CA 1.997 54.020 52.037 -0.024 0.000 0.623 140 A CB -0.477 18.567 19.000 0.073 0.000 0.826 140 A HN 0.344 nan 8.150 nan 0.000 0.444 141 K N -0.454 119.909 120.400 -0.061 0.000 2.103 141 K HA -0.125 4.194 4.320 -0.001 0.000 0.207 141 K C 1.961 178.487 176.600 -0.124 0.000 1.048 141 K CA 1.559 57.843 56.287 -0.005 0.000 0.930 141 K CB -0.643 31.913 32.500 0.094 0.000 0.716 141 K HN 0.585 nan 8.250 nan 0.000 0.444 142 L N 0.466 121.478 121.223 -0.351 0.000 2.027 142 L HA -0.109 4.231 4.340 -0.001 0.000 0.206 142 L C 2.230 178.889 176.870 -0.352 0.000 1.074 142 L CA 1.064 55.647 54.840 -0.428 0.000 0.745 142 L CB -0.163 41.513 42.059 -0.639 0.000 0.898 142 L HN 0.069 nan 8.230 nan 0.000 0.433 143 I N 0.056 120.471 120.570 -0.259 0.000 2.264 143 I HA -0.325 3.844 4.170 -0.001 0.000 0.248 143 I C 2.502 178.514 176.117 -0.175 0.000 1.111 143 I CA 1.736 62.954 61.300 -0.137 0.000 1.382 143 I CB -0.351 37.640 38.000 -0.016 0.000 1.060 143 I HN 0.449 nan 8.210 nan 0.000 0.418 144 E N 1.065 121.125 120.200 -0.233 0.000 2.150 144 E HA -0.165 4.184 4.350 -0.001 0.000 0.193 144 E C 2.250 178.442 176.600 -0.679 0.000 0.985 144 E CA 1.162 57.354 56.400 -0.346 0.000 0.814 144 E CB -0.120 29.441 29.700 -0.231 0.000 0.752 144 E HN 0.500 nan 8.360 nan 0.000 0.466 145 G N 0.436 108.814 108.800 -0.704 0.000 2.402 145 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.216 145 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.216 145 G C 1.625 176.335 174.900 -0.316 0.000 1.162 145 G CA 0.835 45.534 45.100 -0.668 0.000 0.777 145 G HN 0.212 nan 8.290 nan 0.000 0.539 146 V N 1.343 121.066 119.914 -0.320 0.000 2.255 146 V HA -0.169 3.950 4.120 -0.001 0.000 0.247 146 V C 2.928 178.989 176.094 -0.056 0.000 1.051 146 V CA 1.638 63.776 62.300 -0.270 0.000 1.018 146 V CB -0.579 30.865 31.823 -0.631 0.000 0.641 146 V HN 0.352 nan 8.190 nan 0.000 0.445 147 L N 0.125 121.316 121.223 -0.053 0.000 2.083 147 L HA -0.214 4.126 4.340 -0.001 0.000 0.209 147 L C 2.357 179.210 176.870 -0.028 0.000 1.083 147 L CA 2.081 56.926 54.840 0.009 0.000 0.752 147 L CB -0.805 41.213 42.059 -0.069 0.000 0.899 147 L HN 0.414 nan 8.230 nan 0.000 0.433 148 D N -0.060 120.272 120.400 -0.113 0.000 2.178 148 D HA -0.251 4.388 4.640 -0.001 0.000 0.201 148 D C 1.968 178.228 176.300 -0.066 0.000 0.980 148 D CA 1.001 54.964 54.000 -0.060 0.000 0.842 148 D CB 0.025 40.784 40.800 -0.069 0.000 0.948 148 D HN 0.260 nan 8.370 nan 0.000 0.472 149 F N 0.860 120.653 119.950 -0.261 0.000 2.187 149 F HA 0.104 4.631 4.527 -0.001 0.000 0.295 149 F C 2.107 177.784 175.800 -0.204 0.000 1.091 149 F CA 0.927 58.707 58.000 -0.367 0.000 1.308 149 F CB -0.124 38.664 39.000 -0.354 0.000 1.030 149 F HN -0.210 nan 8.300 nan 0.000 0.487 150 K N 0.181 120.625 120.400 0.073 0.000 2.152 150 K HA -0.160 4.160 4.320 -0.001 0.000 0.206 150 K C 2.032 178.598 176.600 -0.058 0.000 1.048 150 K CA 1.649 57.962 56.287 0.043 0.000 0.933 150 K CB -0.202 32.382 32.500 0.140 0.000 0.721 150 K HN 0.282 nan 8.250 nan 0.000 0.447 151 S N 1.201 116.868 115.700 -0.055 0.000 2.359 151 S HA -0.228 4.242 4.470 -0.001 0.000 0.222 151 S C 1.891 176.420 174.600 -0.118 0.000 1.038 151 S CA 1.974 60.148 58.200 -0.045 0.000 1.051 151 S CB -0.320 62.861 63.200 -0.030 0.000 0.944 151 S HN 0.347 nan 8.310 nan 0.000 0.433 152 M N 0.490 119.943 119.600 -0.244 0.000 2.202 152 M HA -0.106 4.374 4.480 -0.001 0.000 0.262 152 M C 1.988 178.114 176.300 -0.290 0.000 1.063 152 M CA 1.387 56.510 55.300 -0.295 0.000 1.097 152 M CB -0.661 31.654 32.600 -0.474 0.000 1.382 152 M HN 0.292 nan 8.290 nan 0.000 0.413 153 I N -0.217 120.143 120.570 -0.350 0.000 2.110 153 I HA -0.293 3.877 4.170 -0.001 0.000 0.236 153 I C 2.082 178.171 176.117 -0.046 0.000 1.068 153 I CA 1.248 62.353 61.300 -0.325 0.000 1.333 153 I CB -0.576 37.231 38.000 -0.323 0.000 1.054 153 I HN 0.234 nan 8.210 nan 0.000 0.402 154 D N 0.978 121.379 120.400 0.002 0.000 2.104 154 D HA -0.170 4.469 4.640 -0.001 0.000 0.194 154 D C 1.648 177.992 176.300 0.074 0.000 0.994 154 D CA 1.491 55.539 54.000 0.080 0.000 0.830 154 D CB -0.463 40.371 40.800 0.057 0.000 0.959 154 D HN 0.294 nan 8.370 nan 0.000 0.452 155 N N 0.767 119.483 118.700 0.025 0.000 2.521 155 N HA -0.037 4.703 4.740 -0.001 0.000 0.188 155 N C -0.207 175.318 175.510 0.025 0.000 1.146 155 N CA 0.162 53.224 53.050 0.020 0.000 0.893 155 N CB 0.072 38.558 38.487 -0.002 0.000 0.975 155 N HN 0.187 nan 8.380 nan 0.000 0.451 156 E N -1.670 118.563 120.200 0.056 0.000 2.660 156 E HA -0.210 4.140 4.350 -0.001 0.000 0.260 156 E C -0.578 176.028 176.600 0.011 0.000 1.122 156 E CA 1.095 57.553 56.400 0.097 0.000 0.755 156 E CB -1.958 27.809 29.700 0.112 0.000 1.345 156 E HN 0.485 nan 8.360 nan 0.000 0.421 157 T N -1.429 113.093 114.554 -0.053 0.000 3.240 157 T HA 0.443 4.792 4.350 -0.001 0.000 0.248 157 T C 0.101 174.717 174.700 -0.140 0.000 0.929 157 T CA -0.560 61.495 62.100 -0.075 0.000 0.939 157 T CB 0.107 68.939 68.868 -0.060 0.000 1.114 157 T HN -0.002 nan 8.240 nan 0.000 0.558 158 L N 2.903 124.017 121.223 -0.181 0.000 2.305 158 L HA 0.477 4.817 4.340 -0.001 0.000 0.281 158 L C -2.101 174.648 176.870 -0.200 0.000 1.085 158 L CA -1.948 52.723 54.840 -0.281 0.000 0.813 158 L CB 0.524 42.329 42.059 -0.424 0.000 1.157 158 L HN 0.124 nan 8.230 nan 0.000 0.436 159 P HA 0.073 nan 4.420 nan 0.000 0.268 159 P C -1.000 176.219 177.300 -0.135 0.000 1.205 159 P CA -0.405 62.635 63.100 -0.100 0.000 0.771 159 P CB 0.424 32.101 31.700 -0.039 0.000 0.858 160 V N 3.288 123.117 119.914 -0.141 0.000 2.485 160 V HA -0.016 4.103 4.120 -0.001 0.000 0.287 160 V C 0.834 176.743 176.094 -0.308 0.000 1.022 160 V CA 0.341 62.454 62.300 -0.311 0.000 1.067 160 V CB -0.525 31.056 31.823 -0.403 0.000 0.967 160 V HN 0.516 nan 8.190 nan 0.000 0.479 161 E N 4.345 124.361 120.200 -0.306 0.000 2.283 161 E HA 0.450 4.799 4.350 -0.001 0.000 0.278 161 E C -1.146 175.223 176.600 -0.385 0.000 1.027 161 E CA -0.231 56.073 56.400 -0.159 0.000 0.843 161 E CB 1.174 30.867 29.700 -0.012 0.000 1.062 161 E HN 0.521 nan 8.360 nan 0.000 0.401 162 F N 1.865 121.827 119.950 0.021 0.000 2.469 162 F HA 0.266 4.792 4.527 -0.001 0.000 0.332 162 F C 0.136 175.942 175.800 0.011 0.000 1.103 162 F CA -0.963 57.046 58.000 0.014 0.000 0.979 162 F CB 1.060 40.065 39.000 0.008 0.000 1.137 162 F HN 0.278 nan 8.300 nan 0.000 0.463 163 L N 3.535 124.845 121.223 0.145 0.000 2.843 163 L HA 0.609 4.948 4.340 -0.001 0.000 0.234 163 L C 0.348 177.269 176.870 0.084 0.000 1.264 163 L CA 0.408 55.293 54.840 0.076 0.000 1.052 163 L CB -0.530 41.529 42.059 -0.001 0.000 1.372 163 L HN 0.859 nan 8.230 nan 0.000 0.466 164 G N 1.051 109.923 108.800 0.120 0.000 2.979 164 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.238 164 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.238 164 G C 0.607 175.564 174.900 0.096 0.000 1.805 164 G CA -0.087 45.063 45.100 0.084 0.000 1.389 164 G HN 0.890 nan 8.290 nan 0.000 0.517 165 G N 0.723 109.588 108.800 0.107 0.000 4.379 165 G HA2 0.569 4.529 3.960 -0.001 0.000 0.290 165 G HA3 0.569 4.529 3.960 -0.001 0.000 0.290 165 G C -0.026 174.985 174.900 0.186 0.000 1.065 165 G CA 1.023 46.186 45.100 0.106 0.000 0.833 165 G HN 0.953 nan 8.290 nan 0.000 0.512 166 Q N 0.062 120.017 119.800 0.258 0.000 2.379 166 Q HA 0.457 4.796 4.340 -0.001 0.000 0.278 166 Q C -3.336 172.744 176.000 0.134 0.000 1.068 166 Q CA -2.573 53.348 55.803 0.196 0.000 0.816 166 Q CB 1.954 30.733 28.738 0.070 0.000 1.387 166 Q HN -0.087 nan 8.270 nan 0.000 0.413 167 P HA 0.232 nan 4.420 nan 0.000 0.271 167 P C -0.519 176.719 177.300 -0.102 0.000 1.218 167 P CA -0.119 62.848 63.100 -0.222 0.000 0.780 167 P CB 0.593 32.287 31.700 -0.010 0.000 0.901 168 L N 1.965 123.111 121.223 -0.129 0.000 2.331 168 L HA 0.382 4.721 4.340 -0.001 0.000 0.275 168 L C 0.522 177.458 176.870 0.110 0.000 1.022 168 L CA -1.022 53.805 54.840 -0.023 0.000 0.812 168 L CB 1.620 43.659 42.059 -0.033 0.000 1.257 168 L HN 0.476 nan 8.230 nan 0.000 0.435 169 C N 4.272 123.621 119.300 0.082 0.000 2.634 169 C HA 0.093 4.553 4.460 -0.001 0.000 0.418 169 C C 1.425 176.536 174.990 0.202 0.000 1.373 169 C CA -0.423 58.664 59.018 0.115 0.000 1.756 169 C CB -0.010 27.782 27.740 0.086 0.000 2.589 169 C HN 0.775 nan 8.230 nan 0.000 0.602 170 M N 4.748 124.516 119.600 0.280 0.000 2.371 170 M HA 0.076 4.556 4.480 -0.001 0.000 0.246 170 M C 1.634 178.224 176.300 0.483 0.000 1.103 170 M CA 0.347 55.893 55.300 0.410 0.000 1.010 170 M CB -1.945 30.902 32.600 0.413 0.000 1.457 170 M HN 0.912 nan 8.290 nan 0.000 0.486 171 N N 1.717 120.620 118.700 0.338 0.000 2.036 171 N HA -0.245 4.494 4.740 -0.001 0.000 0.199 171 N C 1.536 177.230 175.510 0.306 0.000 1.036 171 N CA 2.144 55.392 53.050 0.331 0.000 0.870 171 N CB -0.038 38.546 38.487 0.162 0.000 1.055 171 N HN 0.402 nan 8.380 nan 0.000 0.436 172 Q N -1.576 118.300 119.800 0.127 0.000 2.344 172 Q HA -0.247 4.092 4.340 -0.001 0.000 0.212 172 Q C 1.360 177.309 176.000 -0.085 0.000 0.991 172 Q CA 1.662 57.452 55.803 -0.022 0.000 0.897 172 Q CB -0.276 28.369 28.738 -0.156 0.000 0.915 172 Q HN 0.644 nan 8.270 nan 0.000 0.438 173 Y N -1.944 118.379 120.300 0.038 0.000 2.439 173 Y HA -0.134 4.415 4.550 -0.001 0.000 0.292 173 Y C 0.593 176.367 175.900 -0.210 0.000 1.130 173 Y CA 0.644 58.678 58.100 -0.110 0.000 1.254 173 Y CB 0.256 38.566 38.460 -0.250 0.000 1.000 173 Y HN 0.147 nan 8.280 nan 0.000 0.554 174 Y N -0.342 120.065 120.300 0.179 0.000 2.801 174 Y HA 0.170 4.720 4.550 -0.001 0.000 0.340 174 Y C 1.027 176.981 175.900 0.091 0.000 1.088 174 Y CA -0.267 57.908 58.100 0.126 0.000 1.444 174 Y CB 0.049 38.570 38.460 0.102 0.000 1.251 174 Y HN 0.105 nan 8.280 nan 0.000 0.522 175 Q N -0.822 119.079 119.800 0.168 0.000 1.985 175 Q HA 0.175 4.514 4.340 -0.001 0.000 0.221 175 Q C 1.763 177.821 176.000 0.097 0.000 0.728 175 Q CA 0.383 56.261 55.803 0.125 0.000 0.882 175 Q CB 0.391 29.185 28.738 0.094 0.000 1.203 175 Q HN 0.696 nan 8.270 nan 0.000 0.441 176 I N -2.127 118.487 120.570 0.072 0.000 2.617 176 I HA 0.096 4.265 4.170 -0.001 0.000 0.256 176 I C 0.679 176.868 176.117 0.120 0.000 1.167 176 I CA 0.557 61.894 61.300 0.062 0.000 1.469 176 I CB 0.045 38.036 38.000 -0.015 0.000 1.098 176 I HN -0.147 nan 8.210 nan 0.000 0.436 177 L N 1.086 122.394 121.223 0.142 0.000 2.334 177 L HA 0.384 4.723 4.340 -0.001 0.000 0.275 177 L C 0.699 177.670 176.870 0.167 0.000 1.036 177 L CA -0.634 54.313 54.840 0.179 0.000 0.807 177 L CB 1.583 43.754 42.059 0.186 0.000 1.231 177 L HN 0.113 nan 8.230 nan 0.000 0.438 178 S N 0.222 116.015 115.700 0.155 0.000 3.698 178 S HA -0.157 4.312 4.470 -0.001 0.000 0.338 178 S C 0.002 174.734 174.600 0.221 0.000 1.089 178 S CA 0.945 59.228 58.200 0.139 0.000 0.991 178 S CB -1.246 62.042 63.200 0.147 0.000 0.909 178 S HN 0.892 nan 8.310 nan 0.000 0.485 179 S N -1.432 114.389 115.700 0.202 0.000 2.740 179 S HA 0.922 5.392 4.470 -0.001 0.000 0.300 179 S C -0.323 174.405 174.600 0.214 0.000 1.147 179 S CA -0.347 57.989 58.200 0.227 0.000 0.871 179 S CB 2.597 65.902 63.200 0.176 0.000 1.173 179 S HN 0.967 nan 8.310 nan 0.000 0.510 180 C N 0.187 119.615 119.300 0.213 0.000 3.249 180 C HA 0.627 5.087 4.460 -0.001 0.000 0.358 180 C C -1.114 173.986 174.990 0.184 0.000 1.187 180 C CA -0.492 58.657 59.018 0.218 0.000 1.170 180 C CB 1.298 29.187 27.740 0.248 0.000 1.478 180 C HN 1.186 nan 8.230 nan 0.000 0.508 181 R N 2.438 123.042 120.500 0.175 0.000 2.486 181 R HA 0.874 5.213 4.340 -0.001 0.000 0.286 181 R C -1.384 174.974 176.300 0.095 0.000 0.999 181 R CA -0.283 55.891 56.100 0.123 0.000 0.993 181 R CB 1.359 31.726 30.300 0.112 0.000 1.084 181 R HN 0.629 nan 8.270 nan 0.000 0.487 182 V N 4.469 124.398 119.914 0.025 0.000 2.656 182 V HA 0.392 4.512 4.120 -0.001 0.000 0.307 182 V C -2.408 173.597 176.094 -0.147 0.000 1.051 182 V CA -2.314 59.923 62.300 -0.105 0.000 0.893 182 V CB 1.940 33.721 31.823 -0.072 0.000 0.999 182 V HN 0.827 nan 8.190 nan 0.000 0.426 183 P HA 0.279 nan 4.420 nan 0.000 0.270 183 P C 0.036 177.246 177.300 -0.150 0.000 1.242 183 P CA 0.445 63.383 63.100 -0.270 0.000 0.768 183 P CB 0.569 31.912 31.700 -0.596 0.000 0.820 184 G N 4.588 113.345 108.800 -0.072 0.000 2.420 184 G HA2 0.406 4.366 3.960 -0.001 0.000 0.331 184 G HA3 0.406 4.366 3.960 -0.001 0.000 0.331 184 G C -1.806 173.080 174.900 -0.024 0.000 1.168 184 G CA -1.670 43.411 45.100 -0.032 0.000 0.936 184 G HN 0.194 nan 8.290 nan 0.000 0.479 185 P HA -0.095 nan 4.420 nan 0.000 0.222 185 P C 0.824 178.123 177.300 -0.001 0.000 1.147 185 P CA 1.210 64.307 63.100 -0.004 0.000 0.790 185 P CB 0.610 32.309 31.700 -0.001 0.000 0.780 186 K N -1.728 118.671 120.400 -0.003 0.000 2.556 186 K HA 0.145 4.465 4.320 -0.001 0.000 0.201 186 K C 0.591 177.188 176.600 -0.005 0.000 1.423 186 K CA 0.069 56.354 56.287 -0.003 0.000 1.010 186 K CB 1.104 33.604 32.500 0.001 0.000 1.409 186 K HN -0.027 nan 8.250 nan 0.000 0.538 187 Q N 0.689 120.489 119.800 -0.001 0.000 2.416 187 Q HA 0.227 4.567 4.340 -0.001 0.000 0.281 187 Q C -1.914 174.088 176.000 0.003 0.000 1.067 187 Q CA -0.783 55.022 55.803 0.004 0.000 0.809 187 Q CB 2.455 31.201 28.738 0.014 0.000 1.418 187 Q HN 0.027 nan 8.270 nan 0.000 0.411 188 D N 0.523 120.929 120.400 0.011 0.000 2.277 188 D HA 0.484 5.124 4.640 -0.001 0.000 0.250 188 D C -0.832 175.483 176.300 0.024 0.000 1.032 188 D CA 0.021 54.027 54.000 0.010 0.000 0.947 188 D CB 1.548 42.360 40.800 0.020 0.000 1.159 188 D HN 0.483 nan 8.370 nan 0.000 0.460 189 S N -0.854 114.858 115.700 0.020 0.000 2.600 189 S HA 0.777 5.247 4.470 -0.001 0.000 0.300 189 S C -0.879 173.748 174.600 0.045 0.000 1.087 189 S CA -0.851 57.368 58.200 0.031 0.000 0.965 189 S CB 1.565 64.781 63.200 0.026 0.000 1.089 189 S HN 0.139 nan 8.310 nan 0.000 0.496 190 V N 1.973 121.918 119.914 0.052 0.000 2.443 190 V HA 0.468 4.588 4.120 -0.001 0.000 0.293 190 V C -0.316 175.818 176.094 0.066 0.000 1.021 190 V CA -0.796 61.547 62.300 0.070 0.000 0.848 190 V CB 1.434 33.297 31.823 0.067 0.000 0.998 190 V HN 0.907 nan 8.190 nan 0.000 0.424 191 V N 2.258 122.236 119.914 0.106 0.000 2.465 191 V HA 0.534 4.653 4.120 -0.001 0.000 0.279 191 V C -0.015 176.155 176.094 0.128 0.000 1.045 191 V CA -0.429 61.924 62.300 0.089 0.000 0.938 191 V CB 1.109 33.072 31.823 0.233 0.000 0.986 191 V HN 0.910 nan 8.190 nan 0.000 0.467 192 N N 2.712 121.399 118.700 -0.020 0.000 2.442 192 N HA 0.520 5.260 4.740 -0.001 0.000 0.274 192 N C -0.801 174.667 175.510 -0.070 0.000 1.002 192 N CA -0.647 52.436 53.050 0.054 0.000 0.910 192 N CB 1.183 39.694 38.487 0.041 0.000 1.244 192 N HN 0.684 nan 8.380 nan 0.000 0.492 193 F N 2.936 122.918 119.950 0.054 0.000 2.647 193 F HA 0.190 4.717 4.527 -0.001 0.000 0.300 193 F C 1.316 177.140 175.800 0.040 0.000 1.106 193 F CA -0.403 57.623 58.000 0.043 0.000 1.313 193 F CB 0.268 39.293 39.000 0.040 0.000 1.007 193 F HN 0.493 nan 8.300 nan 0.000 0.536 194 L N 0.856 122.190 121.223 0.184 0.000 1.937 194 L HA -0.080 4.259 4.340 -0.001 0.000 0.213 194 L C 1.122 178.057 176.870 0.107 0.000 1.077 194 L CA 1.989 56.916 54.840 0.145 0.000 0.758 194 L CB -0.332 41.820 42.059 0.155 0.000 0.888 194 L HN -0.094 nan 8.230 nan 0.000 0.433 195 K N 0.457 120.908 120.400 0.084 0.000 2.535 195 K HA 0.201 4.521 4.320 -0.001 0.000 0.242 195 K C -0.200 176.417 176.600 0.028 0.000 1.210 195 K CA -0.018 56.301 56.287 0.054 0.000 1.178 195 K CB -0.075 32.451 32.500 0.043 0.000 1.778 195 K HN 0.486 nan 8.250 nan 0.000 0.372 196 S N -0.799 114.926 115.700 0.041 0.000 2.786 196 S HA 0.361 4.831 4.470 -0.001 0.000 0.307 196 S C 1.074 175.694 174.600 0.032 0.000 1.121 196 S CA -0.927 57.290 58.200 0.028 0.000 0.975 196 S CB 1.435 64.668 63.200 0.055 0.000 1.220 196 S HN 0.047 nan 8.310 nan 0.000 0.550 197 K N 1.294 121.711 120.400 0.029 0.000 2.009 197 K HA -0.090 4.229 4.320 -0.001 0.000 0.210 197 K C 1.018 177.633 176.600 0.026 0.000 1.049 197 K CA 1.484 57.785 56.287 0.023 0.000 0.929 197 K CB -0.484 32.029 32.500 0.021 0.000 0.714 197 K HN 0.813 nan 8.250 nan 0.000 0.440 198 R N 1.260 121.786 120.500 0.042 0.000 3.057 198 R HA 0.346 4.686 4.340 -0.001 0.000 0.291 198 R C -2.646 173.677 176.300 0.039 0.000 1.394 198 R CA -1.653 54.464 56.100 0.030 0.000 1.630 198 R CB -0.157 30.159 30.300 0.026 0.000 1.268 198 R HN -0.177 nan 8.270 nan 0.000 0.621 199 P HA -0.050 nan 4.420 nan 0.000 0.255 199 P C -2.193 175.097 177.300 -0.017 0.000 1.151 199 P CA -0.187 62.926 63.100 0.021 0.000 0.767 199 P CB 0.060 31.747 31.700 -0.021 0.000 0.736 200 P HA -0.067 nan 4.420 nan 0.000 0.267 200 P C 0.722 177.991 177.300 -0.051 0.000 1.195 200 P CA 0.554 63.681 63.100 0.045 0.000 0.773 200 P CB 0.305 32.020 31.700 0.023 0.000 0.837 201 T N -3.144 111.422 114.554 0.021 0.000 3.111 201 T HA 0.184 4.534 4.350 -0.001 0.000 0.284 201 T C 0.253 175.023 174.700 0.117 0.000 0.983 201 T CA -0.327 61.741 62.100 -0.053 0.000 0.900 201 T CB -0.855 67.982 68.868 -0.052 0.000 1.132 201 T HN 0.632 nan 8.240 nan 0.000 0.531 202 H N 0.506 119.525 119.070 -0.085 0.000 2.693 202 H HA 0.867 5.423 4.556 -0.001 0.000 0.348 202 H C -0.162 175.044 175.328 -0.203 0.000 1.222 202 H CA -1.340 54.641 56.048 -0.111 0.000 1.270 202 H CB 1.428 31.128 29.762 -0.103 0.000 1.798 202 H HN 0.366 nan 8.280 nan 0.000 0.592 203 I N -2.392 117.956 120.570 -0.370 0.000 3.343 203 I HA 0.627 4.796 4.170 -0.001 0.000 0.315 203 I C -1.187 174.782 176.117 -0.247 0.000 1.153 203 I CA -1.250 59.720 61.300 -0.549 0.000 0.952 203 I CB 2.594 40.099 38.000 -0.825 0.000 1.287 203 I HN 0.703 nan 8.210 nan 0.000 0.472 204 T N 1.035 115.488 114.554 -0.169 0.000 2.855 204 T HA 0.749 5.099 4.350 -0.001 0.000 0.281 204 T C -0.563 174.182 174.700 0.075 0.000 1.007 204 T CA -0.690 61.436 62.100 0.043 0.000 1.009 204 T CB 2.104 71.055 68.868 0.138 0.000 0.983 204 T HN 0.470 nan 8.240 nan 0.000 0.455 205 V N 2.304 122.294 119.914 0.126 0.000 2.638 205 V HA 0.561 4.681 4.120 -0.001 0.000 0.306 205 V C -0.733 175.398 176.094 0.062 0.000 1.052 205 V CA -0.850 61.508 62.300 0.096 0.000 0.885 205 V CB 2.036 33.914 31.823 0.091 0.000 0.999 205 V HN 0.856 nan 8.190 nan 0.000 0.424 206 V N 3.416 123.306 119.914 -0.040 0.000 2.407 206 V HA 0.555 4.674 4.120 -0.001 0.000 0.291 206 V C -0.881 175.259 176.094 0.077 0.000 1.018 206 V CA -0.616 61.581 62.300 -0.171 0.000 0.842 206 V CB 1.470 32.957 31.823 -0.559 0.000 0.996 206 V HN 0.973 nan 8.190 nan 0.000 0.426 207 H N 4.806 123.890 119.070 0.022 0.000 2.744 207 H HA 0.471 5.026 4.556 -0.001 0.000 0.339 207 H C 0.379 175.714 175.328 0.012 0.000 1.004 207 H CA -0.549 55.513 56.048 0.023 0.000 1.257 207 H CB 0.892 30.636 29.762 -0.030 0.000 1.552 207 H HN 0.686 nan 8.280 nan 0.000 0.522 208 N N 5.093 123.596 118.700 -0.327 0.000 2.776 208 N HA -0.240 4.499 4.740 -0.001 0.000 0.249 208 N C -0.423 174.984 175.510 -0.172 0.000 1.111 208 N CA 1.397 54.175 53.050 -0.453 0.000 0.711 208 N CB -1.501 36.638 38.487 -0.579 0.000 1.065 208 N HN 1.013 nan 8.380 nan 0.000 0.556 209 Y N -3.652 116.642 120.300 -0.010 0.000 4.894 209 Y HA -0.359 4.191 4.550 -0.001 0.000 0.270 209 Y C 0.475 176.456 175.900 0.134 0.000 0.930 209 Y CA 0.623 58.760 58.100 0.062 0.000 1.814 209 Y CB -1.350 37.162 38.460 0.087 0.000 1.235 209 Y HN 0.298 nan 8.280 nan 0.000 0.480 210 Q N 0.851 120.803 119.800 0.253 0.000 2.290 210 Q HA 0.499 4.838 4.340 -0.001 0.000 0.259 210 Q C -0.679 175.481 176.000 0.267 0.000 0.941 210 Q CA -0.591 55.396 55.803 0.306 0.000 0.912 210 Q CB 0.940 29.840 28.738 0.270 0.000 1.244 210 Q HN 0.083 nan 8.270 nan 0.000 0.441 211 F N 1.857 121.913 119.950 0.176 0.000 2.389 211 F HA 0.482 5.009 4.527 -0.001 0.000 0.337 211 F C -0.186 175.553 175.800 -0.102 0.000 1.112 211 F CA -0.132 57.946 58.000 0.129 0.000 1.192 211 F CB 0.567 39.599 39.000 0.054 0.000 1.185 211 F HN 0.395 nan 8.300 nan 0.000 0.552 212 F N 0.242 120.298 119.950 0.178 0.000 2.601 212 F HA 0.316 4.843 4.527 -0.001 0.000 0.309 212 F C -0.169 175.678 175.800 0.078 0.000 1.089 212 F CA -1.110 56.944 58.000 0.090 0.000 0.940 212 F CB 1.846 40.879 39.000 0.055 0.000 1.273 212 F HN 0.385 nan 8.300 nan 0.000 0.450 213 E N 1.766 122.083 120.200 0.195 0.000 2.283 213 E HA 0.672 5.021 4.350 -0.001 0.000 0.271 213 E C -1.807 174.872 176.600 0.131 0.000 1.031 213 E CA -0.785 55.704 56.400 0.149 0.000 0.868 213 E CB 1.680 31.402 29.700 0.036 0.000 1.094 213 E HN 0.520 nan 8.360 nan 0.000 0.401 214 L N 3.850 125.137 121.223 0.108 0.000 2.676 214 L HA 0.303 4.643 4.340 -0.001 0.000 0.262 214 L C -1.670 175.218 176.870 0.031 0.000 0.965 214 L CA -0.405 54.462 54.840 0.045 0.000 0.920 214 L CB 1.605 43.669 42.059 0.008 0.000 1.260 214 L HN 0.532 nan 8.230 nan 0.000 0.422 215 D N 3.764 124.182 120.400 0.031 0.000 2.382 215 D HA 0.340 4.980 4.640 -0.001 0.000 0.245 215 D C 0.643 176.932 176.300 -0.017 0.000 1.120 215 D CA 0.346 54.369 54.000 0.038 0.000 0.890 215 D CB 2.298 43.109 40.800 0.018 0.000 1.201 215 D HN 0.498 nan 8.370 nan 0.000 0.433 216 V N -0.308 119.622 119.914 0.027 0.000 3.017 216 V HA 0.347 4.467 4.120 -0.001 0.000 0.354 216 V C -0.808 175.099 176.094 -0.311 0.000 1.389 216 V CA -0.563 61.659 62.300 -0.131 0.000 1.163 216 V CB -0.914 30.813 31.823 -0.160 0.000 1.178 216 V HN 0.368 nan 8.190 nan 0.000 0.547 217 Y N -1.012 119.171 120.300 -0.195 0.000 2.581 217 Y HA 0.749 5.299 4.550 -0.001 0.000 0.345 217 Y C 0.245 175.983 175.900 -0.271 0.000 1.036 217 Y CA -0.879 57.116 58.100 -0.175 0.000 1.042 217 Y CB 1.875 40.296 38.460 -0.065 0.000 1.289 217 Y HN 0.153 nan 8.280 nan 0.000 0.471 218 H N -0.430 118.733 119.070 0.154 0.000 2.567 218 H HA 0.161 4.717 4.556 -0.001 0.000 0.345 218 H C 0.233 175.614 175.328 0.089 0.000 1.169 218 H CA -0.408 55.694 56.048 0.089 0.000 1.227 218 H CB 2.313 32.105 29.762 0.050 0.000 1.607 218 H HN 0.627 nan 8.280 nan 0.000 0.534 219 S N 0.396 116.218 115.700 0.204 0.000 2.805 219 S HA -0.099 4.371 4.470 -0.001 0.000 0.230 219 S C 0.316 174.977 174.600 0.103 0.000 0.968 219 S CA 0.977 59.248 58.200 0.118 0.000 0.976 219 S CB -0.552 62.698 63.200 0.083 0.000 0.787 219 S HN 0.619 nan 8.310 nan 0.000 0.533 220 D N -2.188 118.294 120.400 0.137 0.000 2.500 220 D HA 0.354 4.994 4.640 -0.001 0.000 0.218 220 D C 1.344 177.711 176.300 0.111 0.000 1.140 220 D CA 0.513 54.572 54.000 0.098 0.000 0.830 220 D CB -0.225 40.617 40.800 0.070 0.000 1.055 220 D HN 0.302 nan 8.370 nan 0.000 0.512 221 G N 0.626 109.521 108.800 0.158 0.000 2.254 221 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.225 221 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.225 221 G C 0.620 175.642 174.900 0.205 0.000 1.003 221 G CA 0.178 45.382 45.100 0.174 0.000 0.622 221 G HN 0.805 nan 8.290 nan 0.000 0.507 222 T N 2.064 116.720 114.554 0.169 0.000 2.834 222 T HA 0.565 4.915 4.350 -0.001 0.000 0.298 222 T C -1.435 173.323 174.700 0.098 0.000 0.966 222 T CA -0.618 61.560 62.100 0.130 0.000 1.141 222 T CB 1.929 70.864 68.868 0.113 0.000 0.905 222 T HN 0.375 nan 8.240 nan 0.000 0.535 223 P HA 0.184 nan 4.420 nan 0.000 0.271 223 P C -0.354 176.844 177.300 -0.170 0.000 1.233 223 P CA -0.756 62.130 63.100 -0.357 0.000 0.789 223 P CB 0.636 32.089 31.700 -0.411 0.000 0.951 224 L N 1.629 122.689 121.223 -0.273 0.000 2.319 224 L HA 0.196 4.535 4.340 -0.001 0.000 0.280 224 L C 1.348 178.181 176.870 -0.061 0.000 1.099 224 L CA 0.471 55.233 54.840 -0.130 0.000 0.828 224 L CB 0.301 42.247 42.059 -0.189 0.000 1.150 224 L HN 0.503 nan 8.230 nan 0.000 0.442 225 T N -0.288 114.278 114.554 0.020 0.000 2.788 225 T HA 0.081 4.431 4.350 -0.001 0.000 0.287 225 T C 1.367 176.089 174.700 0.036 0.000 1.007 225 T CA 0.065 62.186 62.100 0.034 0.000 1.005 225 T CB 0.959 69.859 68.868 0.054 0.000 1.012 225 T HN 0.553 nan 8.240 nan 0.000 0.530 226 S N 0.455 116.188 115.700 0.054 0.000 2.374 226 S HA -0.208 4.261 4.470 -0.001 0.000 0.227 226 S C 1.434 176.085 174.600 0.085 0.000 1.037 226 S CA 2.199 60.434 58.200 0.058 0.000 1.024 226 S CB -1.104 62.134 63.200 0.062 0.000 0.861 226 S HN 0.828 nan 8.310 nan 0.000 0.456 227 D N 0.602 121.049 120.400 0.078 0.000 2.108 227 D HA -0.149 4.490 4.640 -0.001 0.000 0.190 227 D C 2.363 178.749 176.300 0.143 0.000 0.995 227 D CA 1.833 55.901 54.000 0.114 0.000 0.834 227 D CB -0.334 40.513 40.800 0.078 0.000 0.967 227 D HN 0.526 nan 8.370 nan 0.000 0.446 228 Q N -0.034 119.822 119.800 0.093 0.000 2.014 228 Q HA -0.168 4.172 4.340 -0.001 0.000 0.207 228 Q C 2.428 178.453 176.000 0.042 0.000 0.993 228 Q CA 1.284 57.129 55.803 0.070 0.000 0.850 228 Q CB -0.257 28.527 28.738 0.076 0.000 0.916 228 Q HN 0.396 nan 8.270 nan 0.000 0.417 229 I N -0.099 120.490 120.570 0.032 0.000 2.248 229 I HA -0.284 3.885 4.170 -0.001 0.000 0.248 229 I C 2.171 178.311 176.117 0.039 0.000 1.107 229 I CA 1.121 62.426 61.300 0.008 0.000 1.373 229 I CB -0.341 37.657 38.000 -0.005 0.000 1.055 229 I HN 0.203 nan 8.210 nan 0.000 0.418 230 F N 1.368 121.286 119.950 -0.052 0.000 2.206 230 F HA -0.104 4.422 4.527 -0.001 0.000 0.298 230 F C 2.214 177.978 175.800 -0.059 0.000 1.090 230 F CA 1.287 59.246 58.000 -0.067 0.000 1.323 230 F CB -0.311 38.650 39.000 -0.065 0.000 1.028 230 F HN -0.229 nan 8.300 nan 0.000 0.492 231 V N 0.398 120.211 119.914 -0.167 0.000 2.667 231 V HA -0.199 3.921 4.120 -0.001 0.000 0.252 231 V C 2.290 178.262 176.094 -0.203 0.000 1.065 231 V CA 1.540 63.695 62.300 -0.242 0.000 1.083 231 V CB -0.663 31.130 31.823 -0.050 0.000 0.692 231 V HN 0.353 nan 8.190 nan 0.000 0.468 232 Q N -0.371 119.350 119.800 -0.131 0.000 2.187 232 Q HA 0.066 4.405 4.340 -0.001 0.000 0.199 232 Q C 2.233 178.156 176.000 -0.129 0.000 0.957 232 Q CA 1.110 56.856 55.803 -0.095 0.000 0.857 232 Q CB 0.046 28.750 28.738 -0.056 0.000 0.929 232 Q HN 0.539 nan 8.270 nan 0.000 0.453 233 L N 0.222 121.342 121.223 -0.173 0.000 2.240 233 L HA -0.055 4.284 4.340 -0.001 0.000 0.211 233 L C 2.197 178.923 176.870 -0.240 0.000 1.106 233 L CA 0.663 55.401 54.840 -0.170 0.000 0.793 233 L CB -0.080 41.904 42.059 -0.125 0.000 0.927 233 L HN 0.199 nan 8.230 nan 0.000 0.446 234 E N 0.072 120.010 120.200 -0.436 0.000 2.299 234 E HA -0.143 4.207 4.350 -0.001 0.000 0.193 234 E C 1.901 178.418 176.600 -0.138 0.000 0.998 234 E CA 0.450 56.595 56.400 -0.424 0.000 0.851 234 E CB 0.391 29.598 29.700 -0.822 0.000 0.795 234 E HN 0.347 nan 8.360 nan 0.000 0.492 235 K N 0.185 120.495 120.400 -0.150 0.000 2.098 235 K HA 0.048 4.367 4.320 -0.001 0.000 0.203 235 K C 2.096 178.620 176.600 -0.127 0.000 1.051 235 K CA 0.386 56.616 56.287 -0.095 0.000 0.957 235 K CB 0.163 32.616 32.500 -0.077 0.000 0.738 235 K HN 0.097 nan 8.250 nan 0.000 0.447 236 I N 0.615 121.078 120.570 -0.178 0.000 2.226 236 I HA -0.307 3.863 4.170 -0.001 0.000 0.245 236 I C 2.267 178.106 176.117 -0.463 0.000 1.100 236 I CA 1.038 62.095 61.300 -0.405 0.000 1.374 236 I CB -0.331 37.476 38.000 -0.321 0.000 1.057 236 I HN 0.485 nan 8.210 nan 0.000 0.413 237 W N 2.880 123.938 121.300 -0.403 0.000 2.298 237 W HA -0.325 4.334 4.660 -0.001 0.000 0.328 237 W C 2.265 178.642 176.519 -0.235 0.000 1.259 237 W CA 2.009 59.143 57.345 -0.352 0.000 1.251 237 W CB -0.512 28.759 29.460 -0.316 0.000 1.161 237 W HN 0.227 nan 8.180 nan 0.000 0.466 238 N N 0.417 118.964 118.700 -0.255 0.000 2.120 238 N HA -0.155 4.585 4.740 -0.001 0.000 0.188 238 N C 1.759 177.124 175.510 -0.242 0.000 1.024 238 N CA 1.944 54.820 53.050 -0.289 0.000 0.852 238 N CB -1.030 37.410 38.487 -0.077 0.000 1.003 238 N HN 0.048 nan 8.380 nan 0.000 0.424 239 S N 0.287 115.863 115.700 -0.206 0.000 2.462 239 S HA -0.074 4.395 4.470 -0.001 0.000 0.243 239 S C 1.183 175.792 174.600 0.016 0.000 1.003 239 S CA 1.126 59.284 58.200 -0.069 0.000 0.970 239 S CB -0.132 63.078 63.200 0.017 0.000 0.762 239 S HN 0.529 nan 8.310 nan 0.000 0.510 240 S N 0.236 115.853 115.700 -0.139 0.000 2.740 240 S HA 0.335 4.804 4.470 -0.001 0.000 0.244 240 S C 0.843 175.341 174.600 -0.170 0.000 1.101 240 S CA -0.565 57.621 58.200 -0.023 0.000 1.123 240 S CB 0.127 63.400 63.200 0.121 0.000 1.012 240 S HN 0.275 nan 8.310 nan 0.000 0.491 241 L N 0.827 121.908 121.223 -0.237 0.000 2.012 241 L HA 0.060 4.400 4.340 -0.001 0.000 0.210 241 L C 0.298 177.035 176.870 -0.223 0.000 1.073 241 L CA 1.933 56.594 54.840 -0.299 0.000 0.748 241 L CB -0.581 41.334 42.059 -0.239 0.000 0.891 241 L HN 0.460 nan 8.230 nan 0.000 0.431 242 Q N 0.697 120.405 119.800 -0.154 0.000 2.241 242 Q HA 0.198 4.538 4.340 -0.001 0.000 0.254 242 Q C -0.608 175.306 176.000 -0.143 0.000 0.917 242 Q CA -0.020 55.707 55.803 -0.127 0.000 0.919 242 Q CB 1.833 30.528 28.738 -0.072 0.000 1.237 242 Q HN 0.186 nan 8.270 nan 0.000 0.434 243 S N 2.296 117.896 115.700 -0.166 0.000 2.489 243 S HA 0.524 4.994 4.470 -0.001 0.000 0.291 243 S C 0.362 174.900 174.600 -0.103 0.000 1.151 243 S CA -0.268 57.819 58.200 -0.189 0.000 1.082 243 S CB 0.298 63.314 63.200 -0.306 0.000 1.019 243 S HN 0.798 nan 8.310 nan 0.000 0.492 244 N N 2.237 120.904 118.700 -0.054 0.000 2.149 244 N HA -0.030 4.710 4.740 -0.001 0.000 0.311 244 N C -0.824 174.717 175.510 0.052 0.000 1.063 244 N CA -0.363 52.686 53.050 -0.001 0.000 0.690 244 N CB -0.272 38.215 38.487 0.001 0.000 1.958 244 N HN 0.325 nan 8.380 nan 0.000 0.766 245 K N 1.736 122.184 120.400 0.079 0.000 2.187 245 K HA 0.180 4.500 4.320 -0.001 0.000 0.247 245 K C 0.503 177.216 176.600 0.189 0.000 1.019 245 K CA 0.018 56.383 56.287 0.129 0.000 0.893 245 K CB 0.889 33.481 32.500 0.153 0.000 1.025 245 K HN 0.175 nan 8.250 nan 0.000 0.500 246 E N 2.361 122.656 120.200 0.158 0.000 2.366 246 E HA 0.104 4.453 4.350 -0.001 0.000 0.266 246 E C -1.933 174.751 176.600 0.139 0.000 1.051 246 E CA -1.629 54.850 56.400 0.133 0.000 0.884 246 E CB 0.552 30.295 29.700 0.072 0.000 1.006 246 E HN 0.255 nan 8.360 nan 0.000 0.417 247 P HA 0.068 nan 4.420 nan 0.000 0.225 247 P C 0.975 178.214 177.300 -0.101 0.000 1.813 247 P CA 0.014 63.033 63.100 -0.136 0.000 1.013 247 P CB 0.059 31.395 31.700 -0.606 0.000 1.961 248 V N 2.341 122.218 119.914 -0.062 0.000 2.313 248 V HA -0.274 3.846 4.120 -0.001 0.000 0.253 248 V C 2.781 178.751 176.094 -0.208 0.000 1.070 248 V CA 2.760 64.936 62.300 -0.206 0.000 1.057 248 V CB -1.544 29.956 31.823 -0.540 0.000 0.653 248 V HN 0.431 nan 8.190 nan 0.000 0.450 249 G N -1.026 107.790 108.800 0.025 0.000 2.479 249 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.220 249 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.220 249 G C 1.477 176.231 174.900 -0.244 0.000 1.115 249 G CA 0.736 45.879 45.100 0.072 0.000 0.757 249 G HN 0.559 nan 8.290 nan 0.000 0.560 250 I N 0.498 120.948 120.570 -0.200 0.000 3.456 250 I HA 0.094 4.263 4.170 -0.001 0.000 0.291 250 I C 1.903 177.805 176.117 -0.358 0.000 1.307 250 I CA 0.056 61.237 61.300 -0.198 0.000 1.333 250 I CB 0.114 38.011 38.000 -0.172 0.000 1.032 250 I HN 0.135 nan 8.210 nan 0.000 0.506 251 L N -0.098 120.773 121.223 -0.585 0.000 2.395 251 L HA -0.068 4.271 4.340 -0.001 0.000 0.218 251 L C 2.066 178.109 176.870 -1.379 0.000 1.130 251 L CA 1.120 55.467 54.840 -0.822 0.000 0.826 251 L CB -0.517 41.013 42.059 -0.881 0.000 0.941 251 L HN 0.382 nan 8.230 nan 0.000 0.451 252 T N -4.374 109.359 114.554 -1.370 0.000 3.324 252 T HA 0.048 4.398 4.350 -0.001 0.000 0.250 252 T C 1.105 175.464 174.700 -0.567 0.000 1.059 252 T CA 0.398 61.717 62.100 -1.302 0.000 0.951 252 T CB -0.149 68.075 68.868 -1.073 0.000 1.030 252 T HN 0.293 nan 8.240 nan 0.000 0.576 253 S N -1.015 114.393 115.700 -0.487 0.000 2.819 253 S HA 0.303 4.773 4.470 -0.001 0.000 0.249 253 S C 0.286 174.730 174.600 -0.261 0.000 1.030 253 S CA -0.764 57.186 58.200 -0.415 0.000 1.052 253 S CB -0.079 62.815 63.200 -0.509 0.000 1.017 253 S HN 0.371 nan 8.310 nan 0.000 0.576 254 N N 1.726 120.304 118.700 -0.203 0.000 2.593 254 N HA 0.292 5.031 4.740 -0.001 0.000 0.304 254 N C -0.342 175.180 175.510 0.020 0.000 1.296 254 N CA -0.474 52.539 53.050 -0.061 0.000 0.950 254 N CB 0.342 38.816 38.487 -0.022 0.000 1.127 254 N HN 0.381 nan 8.380 nan 0.000 0.587 255 H N 0.085 119.151 119.070 -0.007 0.000 2.757 255 H HA 0.195 4.751 4.556 -0.001 0.000 0.370 255 H C 0.877 176.232 175.328 0.045 0.000 1.172 255 H CA 0.369 56.412 56.048 -0.009 0.000 1.426 255 H CB 0.733 30.476 29.762 -0.032 0.000 1.438 255 H HN 0.299 nan 8.280 nan 0.000 0.612 256 R N 2.346 122.577 120.500 -0.448 0.000 2.307 256 R HA -0.025 4.315 4.340 -0.001 0.000 0.199 256 R C 0.624 176.929 176.300 0.009 0.000 1.000 256 R CA 0.426 56.436 56.100 -0.150 0.000 1.023 256 R CB -0.273 29.888 30.300 -0.231 0.000 0.908 256 R HN 0.618 nan 8.270 nan 0.000 0.473 257 N N -0.504 118.316 118.700 0.201 0.000 2.409 257 N HA -0.013 4.727 4.740 -0.001 0.000 0.174 257 N C 1.228 176.832 175.510 0.157 0.000 1.037 257 N CA 0.973 54.143 53.050 0.200 0.000 0.898 257 N CB 0.036 38.679 38.487 0.259 0.000 1.010 257 N HN 0.076 nan 8.380 nan 0.000 0.445 258 T N -0.139 114.540 114.554 0.209 0.000 2.894 258 T HA -0.066 4.284 4.350 -0.001 0.000 0.258 258 T C 1.497 176.339 174.700 0.237 0.000 1.043 258 T CA 0.344 62.547 62.100 0.171 0.000 1.141 258 T CB -0.165 68.797 68.868 0.157 0.000 0.873 258 T HN 0.415 nan 8.240 nan 0.000 0.449 259 W N 2.027 123.341 121.300 0.023 0.000 2.358 259 W HA -0.116 4.543 4.660 -0.001 0.000 0.303 259 W C 2.496 179.060 176.519 0.074 0.000 1.208 259 W CA 0.692 58.045 57.345 0.013 0.000 1.274 259 W CB -0.161 29.268 29.460 -0.052 0.000 1.138 259 W HN 0.293 nan 8.180 nan 0.000 0.515 260 A N 1.058 123.849 122.820 -0.048 0.000 1.873 260 A HA -0.321 3.999 4.320 -0.001 0.000 0.218 260 A C 1.993 179.534 177.584 -0.071 0.000 1.193 260 A CA 2.370 54.326 52.037 -0.136 0.000 0.629 260 A CB -1.125 17.847 19.000 -0.046 0.000 0.826 260 A HN 0.402 nan 8.150 nan 0.000 0.447 261 K N -0.673 119.728 120.400 0.001 0.000 2.062 261 K HA 0.015 4.334 4.320 -0.001 0.000 0.205 261 K C 2.202 178.810 176.600 0.014 0.000 1.051 261 K CA 1.085 57.376 56.287 0.007 0.000 0.941 261 K CB -0.328 32.190 32.500 0.029 0.000 0.719 261 K HN 0.349 nan 8.250 nan 0.000 0.440 262 A N 0.605 123.480 122.820 0.091 0.000 1.902 262 A HA -0.214 4.106 4.320 -0.001 0.000 0.217 262 A C 2.079 179.723 177.584 0.100 0.000 1.181 262 A CA 1.540 53.685 52.037 0.180 0.000 0.623 262 A CB -0.949 18.291 19.000 0.399 0.000 0.818 262 A HN 0.615 nan 8.150 nan 0.000 0.443 263 Y N 1.352 121.399 120.300 -0.421 0.000 2.242 263 Y HA -0.203 4.347 4.550 -0.001 0.000 0.291 263 Y C 2.261 177.980 175.900 -0.300 0.000 1.137 263 Y CA 1.802 59.425 58.100 -0.794 0.000 1.181 263 Y CB -0.354 37.097 38.460 -1.683 0.000 0.989 263 Y HN 0.443 nan 8.280 nan 0.000 0.527 264 N N 0.768 119.282 118.700 -0.309 0.000 2.104 264 N HA -0.261 4.479 4.740 -0.001 0.000 0.190 264 N C 1.552 176.937 175.510 -0.208 0.000 1.024 264 N CA 1.859 54.752 53.050 -0.262 0.000 0.853 264 N CB -0.498 37.925 38.487 -0.105 0.000 1.008 264 N HN 0.552 nan 8.380 nan 0.000 0.424 265 N N 0.108 118.737 118.700 -0.118 0.000 2.207 265 N HA -0.073 4.666 4.740 -0.001 0.000 0.182 265 N C 1.786 177.265 175.510 -0.052 0.000 1.020 265 N CA 0.402 53.416 53.050 -0.060 0.000 0.858 265 N CB -0.343 38.140 38.487 -0.007 0.000 0.991 265 N HN 0.142 nan 8.380 nan 0.000 0.427 266 L N 1.289 122.491 121.223 -0.035 0.000 2.129 266 L HA -0.061 4.278 4.340 -0.001 0.000 0.212 266 L C 1.113 177.989 176.870 0.011 0.000 1.087 266 L CA 1.535 56.404 54.840 0.048 0.000 0.757 266 L CB -0.615 41.550 42.059 0.175 0.000 0.896 266 L HN 0.453 nan 8.230 nan 0.000 0.434 267 I N -4.433 116.042 120.570 -0.159 0.000 3.862 267 I HA 0.150 4.320 4.170 -0.001 0.000 0.328 267 I C 1.060 177.114 176.117 -0.105 0.000 1.474 267 I CA -0.028 61.183 61.300 -0.148 0.000 1.215 267 I CB -0.556 37.252 38.000 -0.321 0.000 1.183 267 I HN 0.041 nan 8.210 nan 0.000 0.413 268 K N 0.857 121.218 120.400 -0.064 0.000 2.374 268 K HA 0.170 4.490 4.320 -0.001 0.000 0.196 268 K C 0.148 176.733 176.600 -0.024 0.000 1.023 268 K CA 0.013 56.273 56.287 -0.046 0.000 1.103 268 K CB 0.254 32.731 32.500 -0.037 0.000 0.848 268 K HN 0.473 nan 8.250 nan 0.000 0.528 269 D N 0.792 121.183 120.400 -0.014 0.000 2.228 269 D HA 0.068 4.708 4.640 -0.001 0.000 0.247 269 D C 0.389 176.675 176.300 -0.024 0.000 0.995 269 D CA -0.122 53.872 54.000 -0.009 0.000 0.903 269 D CB 1.870 42.677 40.800 0.012 0.000 1.205 269 D HN -0.169 nan 8.370 nan 0.000 0.459 270 K N 1.560 121.943 120.400 -0.029 0.000 2.057 270 K HA -0.081 4.239 4.320 -0.001 0.000 0.206 270 K C 1.740 178.304 176.600 -0.059 0.000 1.050 270 K CA 1.044 57.307 56.287 -0.039 0.000 0.935 270 K CB 0.139 32.618 32.500 -0.035 0.000 0.715 270 K HN 0.264 nan 8.250 nan 0.000 0.439 271 V N 1.704 121.578 119.914 -0.067 0.000 2.323 271 V HA -0.224 3.896 4.120 -0.001 0.000 0.244 271 V C 1.776 177.779 176.094 -0.152 0.000 1.041 271 V CA 1.902 64.137 62.300 -0.109 0.000 1.025 271 V CB -0.795 30.966 31.823 -0.103 0.000 0.656 271 V HN 0.364 nan 8.190 nan 0.000 0.451 272 N N 0.544 119.184 118.700 -0.099 0.000 2.011 272 N HA -0.254 4.485 4.740 -0.001 0.000 0.199 272 N C 1.926 177.387 175.510 -0.082 0.000 1.047 272 N CA 2.181 55.189 53.050 -0.071 0.000 0.863 272 N CB -0.497 38.043 38.487 0.088 0.000 1.056 272 N HN 0.392 nan 8.380 nan 0.000 0.427 273 R N 0.930 121.404 120.500 -0.044 0.000 2.113 273 R HA -0.192 4.147 4.340 -0.001 0.000 0.244 273 R C 2.034 178.295 176.300 -0.064 0.000 1.142 273 R CA 1.898 57.976 56.100 -0.035 0.000 0.953 273 R CB -0.250 30.027 30.300 -0.038 0.000 0.860 273 R HN 0.433 nan 8.270 nan 0.000 0.438 274 E N -0.556 119.581 120.200 -0.103 0.000 2.153 274 E HA -0.175 4.174 4.350 -0.001 0.000 0.194 274 E C 1.792 178.276 176.600 -0.194 0.000 0.988 274 E CA 1.325 57.648 56.400 -0.128 0.000 0.811 274 E CB -0.054 29.567 29.700 -0.132 0.000 0.746 274 E HN 0.282 nan 8.360 nan 0.000 0.466 275 S N -0.612 114.917 115.700 -0.285 0.000 2.356 275 S HA -0.112 4.357 4.470 -0.001 0.000 0.223 275 S C 1.901 176.266 174.600 -0.392 0.000 1.032 275 S CA 1.164 59.088 58.200 -0.461 0.000 1.005 275 S CB -0.034 62.630 63.200 -0.892 0.000 0.867 275 S HN 0.219 nan 8.310 nan 0.000 0.449 276 V N 2.068 121.857 119.914 -0.209 0.000 2.548 276 V HA -0.101 4.019 4.120 -0.001 0.000 0.249 276 V C 1.960 178.011 176.094 -0.071 0.000 1.055 276 V CA 1.527 63.782 62.300 -0.076 0.000 1.065 276 V CB -0.883 31.125 31.823 0.309 0.000 0.681 276 V HN 0.513 nan 8.190 nan 0.000 0.462 277 N N -0.354 118.313 118.700 -0.055 0.000 2.223 277 N HA -0.174 4.566 4.740 -0.001 0.000 0.185 277 N C 2.091 177.512 175.510 -0.148 0.000 1.016 277 N CA 1.278 54.294 53.050 -0.056 0.000 0.863 277 N CB -0.047 38.416 38.487 -0.040 0.000 0.983 277 N HN 0.379 nan 8.380 nan 0.000 0.429 278 S N 0.871 116.473 115.700 -0.162 0.000 2.345 278 S HA 0.012 4.482 4.470 -0.001 0.000 0.219 278 S C 1.912 176.474 174.600 -0.063 0.000 1.031 278 S CA 0.587 58.725 58.200 -0.103 0.000 0.984 278 S CB -0.142 62.978 63.200 -0.133 0.000 0.874 278 S HN 0.193 nan 8.310 nan 0.000 0.451 279 I N 1.600 122.045 120.570 -0.208 0.000 2.151 279 I HA -0.267 3.903 4.170 -0.001 0.000 0.243 279 I C 2.443 178.445 176.117 -0.192 0.000 1.080 279 I CA 1.544 62.676 61.300 -0.280 0.000 1.339 279 I CB -0.475 37.102 38.000 -0.704 0.000 1.039 279 I HN 0.439 nan 8.210 nan 0.000 0.409 280 Q N 0.402 120.112 119.800 -0.150 0.000 2.488 280 Q HA -0.126 4.214 4.340 -0.001 0.000 0.211 280 Q C 1.797 177.649 176.000 -0.248 0.000 0.967 280 Q CA 0.775 56.547 55.803 -0.051 0.000 0.926 280 Q CB 0.033 28.823 28.738 0.086 0.000 0.992 280 Q HN 0.539 nan 8.270 nan 0.000 0.506 281 K N 0.025 120.174 120.400 -0.419 0.000 2.335 281 K HA 0.131 4.451 4.320 -0.001 0.000 0.195 281 K C 0.538 176.925 176.600 -0.355 0.000 1.058 281 K CA -0.069 55.845 56.287 -0.621 0.000 0.988 281 K CB 0.528 32.701 32.500 -0.544 0.000 0.880 281 K HN -0.071 nan 8.250 nan 0.000 0.513 282 S N 1.657 117.104 115.700 -0.422 0.000 2.593 282 S HA -0.098 4.371 4.470 -0.001 0.000 0.303 282 S C 1.351 175.751 174.600 -0.334 0.000 1.267 282 S CA 0.088 57.926 58.200 -0.604 0.000 1.047 282 S CB 0.195 63.171 63.200 -0.374 0.000 0.777 282 S HN 0.176 nan 8.310 nan 0.000 0.498 283 I N 2.299 122.629 120.570 -0.400 0.000 2.916 283 I HA 0.026 4.196 4.170 -0.001 0.000 0.267 283 I C 0.391 176.572 176.117 0.108 0.000 1.263 283 I CA 0.740 61.956 61.300 -0.140 0.000 1.471 283 I CB -0.490 37.423 38.000 -0.145 0.000 1.089 283 I HN 0.691 nan 8.210 nan 0.000 0.468 284 F N -3.011 116.906 119.950 -0.055 0.000 3.180 284 F HA 0.349 4.875 4.527 -0.001 0.000 0.332 284 F C -1.201 174.616 175.800 0.028 0.000 1.054 284 F CA -1.474 56.543 58.000 0.027 0.000 0.840 284 F CB 0.100 39.125 39.000 0.042 0.000 1.788 284 F HN -0.447 nan 8.300 nan 0.000 0.435 285 T N 1.315 116.176 114.554 0.512 0.000 2.908 285 T HA 0.776 5.125 4.350 -0.001 0.000 0.290 285 T C -1.333 173.619 174.700 0.420 0.000 1.034 285 T CA -0.809 61.497 62.100 0.344 0.000 1.010 285 T CB 2.139 71.175 68.868 0.280 0.000 1.068 285 T HN 0.696 nan 8.240 nan 0.000 0.481 286 V N 1.324 121.394 119.914 0.259 0.000 2.577 286 V HA 0.419 4.538 4.120 -0.001 0.000 0.303 286 V C -0.568 175.614 176.094 0.148 0.000 1.042 286 V CA -0.904 61.533 62.300 0.229 0.000 0.872 286 V CB 1.491 33.424 31.823 0.184 0.000 0.998 286 V HN 1.109 nan 8.190 nan 0.000 0.423 287 C N 5.778 125.168 119.300 0.150 0.000 2.322 287 C HA 0.626 5.086 4.460 -0.001 0.000 0.324 287 C C 0.237 175.318 174.990 0.153 0.000 1.284 287 C CA -0.890 58.200 59.018 0.120 0.000 1.606 287 C CB 0.512 28.311 27.740 0.099 0.000 2.251 287 C HN 0.760 nan 8.230 nan 0.000 0.502 288 L N 3.344 124.675 121.223 0.179 0.000 2.407 288 L HA 0.276 4.616 4.340 -0.001 0.000 0.261 288 L C -0.047 176.992 176.870 0.283 0.000 1.108 288 L CA 0.041 55.014 54.840 0.222 0.000 0.995 288 L CB -0.325 41.868 42.059 0.224 0.000 1.349 288 L HN 0.664 nan 8.230 nan 0.000 0.423 289 D N 2.988 123.526 120.400 0.229 0.000 2.382 289 D HA 0.088 4.728 4.640 -0.001 0.000 0.240 289 D C 0.380 176.817 176.300 0.227 0.000 1.146 289 D CA 0.160 54.292 54.000 0.220 0.000 0.897 289 D CB 1.398 42.308 40.800 0.184 0.000 1.197 289 D HN 0.446 nan 8.370 nan 0.000 0.432 290 K N 0.525 121.044 120.400 0.198 0.000 2.362 290 K HA 0.228 4.547 4.320 -0.001 0.000 0.245 290 K C 0.351 177.041 176.600 0.150 0.000 1.040 290 K CA -0.805 55.586 56.287 0.174 0.000 0.961 290 K CB 0.849 33.419 32.500 0.117 0.000 1.252 290 K HN 0.300 nan 8.250 nan 0.000 0.503 291 Q N 0.657 120.540 119.800 0.138 0.000 2.421 291 Q HA 0.194 4.534 4.340 -0.001 0.000 0.255 291 Q C -0.919 175.121 176.000 0.067 0.000 1.013 291 Q CA -0.565 55.303 55.803 0.108 0.000 0.895 291 Q CB 0.947 29.752 28.738 0.112 0.000 1.271 291 Q HN 0.514 nan 8.270 nan 0.000 0.460 292 V N 0.613 120.522 119.914 -0.008 0.000 2.733 292 V HA 0.483 4.602 4.120 -0.001 0.000 0.306 292 V C -2.628 173.426 176.094 -0.067 0.000 1.084 292 V CA -2.224 59.965 62.300 -0.185 0.000 0.905 292 V CB 1.118 32.695 31.823 -0.410 0.000 1.010 292 V HN 0.760 nan 8.190 nan 0.000 0.424 293 P HA 0.132 nan 4.420 nan 0.000 0.255 293 P C 0.055 177.359 177.300 0.008 0.000 1.173 293 P CA 0.287 63.415 63.100 0.048 0.000 0.780 293 P CB 0.185 31.957 31.700 0.121 0.000 0.758 294 R N 2.563 123.070 120.500 0.011 0.000 2.734 294 R HA 0.255 4.595 4.340 -0.001 0.000 0.266 294 R C -0.372 175.893 176.300 -0.057 0.000 1.044 294 R CA 0.006 56.105 56.100 -0.002 0.000 1.128 294 R CB 0.330 30.639 30.300 0.016 0.000 1.010 294 R HN 0.220 nan 8.270 nan 0.000 0.461 295 V N 1.265 121.114 119.914 -0.107 0.000 3.164 295 V HA 0.314 4.434 4.120 -0.001 0.000 0.313 295 V C 0.132 176.188 176.094 -0.064 0.000 1.188 295 V CA -1.004 61.206 62.300 -0.149 0.000 1.058 295 V CB 1.905 33.496 31.823 -0.386 0.000 1.110 295 V HN 0.947 nan 8.190 nan 0.000 0.453 296 S N 0.788 116.457 115.700 -0.053 0.000 2.614 296 S HA -0.017 4.453 4.470 -0.001 0.000 0.251 296 S C 0.702 175.307 174.600 0.008 0.000 1.388 296 S CA 0.093 58.278 58.200 -0.025 0.000 0.973 296 S CB 0.056 63.248 63.200 -0.015 0.000 0.926 296 S HN 0.863 nan 8.310 nan 0.000 0.580 297 D N 0.459 120.855 120.400 -0.006 0.000 2.327 297 D HA -0.046 4.593 4.640 -0.001 0.000 0.205 297 D C 1.307 177.647 176.300 0.067 0.000 0.989 297 D CA 0.433 54.439 54.000 0.009 0.000 0.873 297 D CB -0.255 40.497 40.800 -0.080 0.000 0.955 297 D HN 0.638 nan 8.370 nan 0.000 0.515 298 D N 1.375 121.798 120.400 0.039 0.000 2.264 298 D HA -0.105 4.535 4.640 -0.001 0.000 0.208 298 D C 1.620 177.957 176.300 0.061 0.000 0.966 298 D CA 0.690 54.716 54.000 0.043 0.000 0.864 298 D CB 0.038 40.855 40.800 0.029 0.000 0.933 298 D HN 0.216 nan 8.370 nan 0.000 0.499 299 V N -2.741 117.213 119.914 0.066 0.000 3.070 299 V HA 0.222 4.342 4.120 -0.001 0.000 0.345 299 V C 1.421 177.564 176.094 0.081 0.000 1.403 299 V CA -0.855 61.483 62.300 0.063 0.000 1.155 299 V CB -0.912 30.938 31.823 0.044 0.000 1.140 299 V HN -0.073 nan 8.190 nan 0.000 0.505 300 Y N 2.646 122.931 120.300 -0.024 0.000 2.109 300 Y HA -0.012 4.538 4.550 -0.001 0.000 0.281 300 Y C 2.678 178.589 175.900 0.018 0.000 1.113 300 Y CA 2.244 60.332 58.100 -0.020 0.000 1.098 300 Y CB -0.159 38.281 38.460 -0.033 0.000 0.996 300 Y HN 0.298 nan 8.280 nan 0.000 0.485 301 R N 1.076 121.564 120.500 -0.020 0.000 2.153 301 R HA -0.222 4.117 4.340 -0.001 0.000 0.252 301 R C 1.654 177.841 176.300 -0.188 0.000 1.158 301 R CA 2.243 58.266 56.100 -0.128 0.000 0.975 301 R CB -0.586 29.717 30.300 0.006 0.000 0.871 301 R HN 0.479 nan 8.270 nan 0.000 0.450 302 N N -1.093 117.543 118.700 -0.106 0.000 2.409 302 N HA -0.115 4.624 4.740 -0.001 0.000 0.179 302 N C 1.152 176.599 175.510 -0.104 0.000 1.032 302 N CA 0.997 53.979 53.050 -0.113 0.000 0.898 302 N CB -0.226 38.242 38.487 -0.031 0.000 0.971 302 N HN 0.399 nan 8.380 nan 0.000 0.441 303 H N -0.032 118.909 119.070 -0.215 0.000 2.502 303 H HA 0.134 4.690 4.556 -0.001 0.000 0.283 303 H C 1.802 176.979 175.328 -0.251 0.000 1.015 303 H CA 0.543 56.476 56.048 -0.192 0.000 1.298 303 H CB 0.430 30.091 29.762 -0.168 0.000 1.411 303 H HN -0.072 nan 8.280 nan 0.000 0.556 304 V N -0.599 119.153 119.914 -0.271 0.000 2.426 304 V HA -0.033 4.087 4.120 -0.001 0.000 0.242 304 V C 2.581 178.558 176.094 -0.195 0.000 1.036 304 V CA 1.142 63.288 62.300 -0.257 0.000 1.044 304 V CB -1.005 30.606 31.823 -0.353 0.000 0.688 304 V HN 0.476 nan 8.190 nan 0.000 0.462 305 A N 1.183 123.829 122.820 -0.290 0.000 1.948 305 A HA -0.159 4.161 4.320 -0.001 0.000 0.220 305 A C 2.348 179.726 177.584 -0.344 0.000 1.177 305 A CA 2.249 53.992 52.037 -0.490 0.000 0.636 305 A CB -1.250 17.169 19.000 -0.968 0.000 0.815 305 A HN 0.552 nan 8.150 nan 0.000 0.449 306 G N -1.369 107.231 108.800 -0.334 0.000 2.408 306 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.217 306 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.217 306 G C 1.555 176.132 174.900 -0.538 0.000 1.150 306 G CA 0.929 45.747 45.100 -0.470 0.000 0.776 306 G HN 0.623 nan 8.290 nan 0.000 0.542 307 Q N -1.099 118.561 119.800 -0.234 0.000 2.437 307 Q HA 0.059 4.399 4.340 -0.001 0.000 0.210 307 Q C 2.089 178.075 176.000 -0.023 0.000 0.972 307 Q CA 0.700 56.444 55.803 -0.098 0.000 0.903 307 Q CB -0.032 28.670 28.738 -0.060 0.000 0.967 307 Q HN 0.421 nan 8.270 nan 0.000 0.486 308 M N -0.983 118.618 119.600 0.003 0.000 2.514 308 M HA 0.093 4.573 4.480 -0.001 0.000 0.258 308 M C 1.234 177.603 176.300 0.115 0.000 1.159 308 M CA 0.371 55.737 55.300 0.110 0.000 1.116 308 M CB 0.453 33.192 32.600 0.231 0.000 1.333 308 M HN 0.258 nan 8.290 nan 0.000 0.487 309 L N -0.931 120.345 121.223 0.089 0.000 2.189 309 L HA 0.037 4.376 4.340 -0.001 0.000 0.199 309 L C 2.355 179.274 176.870 0.081 0.000 1.074 309 L CA 1.425 56.319 54.840 0.091 0.000 0.783 309 L CB -0.380 41.815 42.059 0.226 0.000 0.955 309 L HN 0.492 nan 8.230 nan 0.000 0.460 310 H N -3.575 115.577 119.070 0.137 0.000 2.594 310 H HA 0.428 4.983 4.556 -0.001 0.000 0.274 310 H C 1.378 176.813 175.328 0.178 0.000 0.982 310 H CA 0.748 56.825 56.048 0.048 0.000 1.228 310 H CB 0.840 30.567 29.762 -0.059 0.000 1.447 310 H HN 0.284 nan 8.280 nan 0.000 0.485 311 G N 0.282 109.240 108.800 0.263 0.000 2.296 311 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.188 311 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.188 311 G C 0.938 176.036 174.900 0.329 0.000 1.000 311 G CA 0.189 45.468 45.100 0.299 0.000 0.672 311 G HN 1.153 nan 8.290 nan 0.000 0.483 312 G N -0.094 109.022 108.800 0.527 0.000 2.401 312 G HA2 0.488 4.448 3.960 -0.001 0.000 0.283 312 G HA3 0.488 4.448 3.960 -0.001 0.000 0.283 312 G C 1.687 176.815 174.900 0.380 0.000 1.117 312 G CA 0.853 46.177 45.100 0.372 0.000 1.051 312 G HN 2.788 nan 8.290 nan 0.000 0.510 313 G N -1.104 107.810 108.800 0.190 0.000 2.757 313 G HA2 0.268 4.228 3.960 -0.001 0.000 0.638 313 G HA3 0.268 4.228 3.960 -0.001 0.000 0.638 313 G C 1.006 175.950 174.900 0.073 0.000 1.344 313 G CA 0.712 45.869 45.100 0.095 0.000 0.855 313 G HN 2.025 nan 8.290 nan 0.000 0.537 314 S N -1.198 114.494 115.700 -0.014 0.000 2.524 314 S HA 0.112 4.582 4.470 -0.001 0.000 0.216 314 S C 1.382 175.970 174.600 -0.019 0.000 0.987 314 S CA 1.169 59.350 58.200 -0.032 0.000 0.909 314 S CB 0.025 63.189 63.200 -0.059 0.000 0.781 314 S HN 1.205 nan 8.310 nan 0.000 0.521 315 K N -0.312 120.028 120.400 -0.099 0.000 2.576 315 K HA 0.446 4.765 4.320 -0.001 0.000 0.209 315 K C -0.105 176.372 176.600 -0.205 0.000 1.049 315 K CA -0.388 55.804 56.287 -0.159 0.000 1.140 315 K CB -0.158 32.152 32.500 -0.316 0.000 0.871 315 K HN 0.412 nan 8.250 nan 0.000 0.479 316 F N -0.026 120.038 119.950 0.190 0.000 1.963 316 F HA 0.260 4.787 4.527 -0.001 0.000 0.218 316 F C 1.216 177.175 175.800 0.266 0.000 1.249 316 F CA -1.016 57.099 58.000 0.192 0.000 1.294 316 F CB 0.591 39.676 39.000 0.142 0.000 1.877 316 F HN -0.061 nan 8.300 nan 0.000 0.210 317 N N -0.532 118.446 118.700 0.464 0.000 2.145 317 N HA 0.098 4.838 4.740 -0.001 0.000 0.219 317 N C 0.985 176.658 175.510 0.273 0.000 1.266 317 N CA 0.281 53.547 53.050 0.360 0.000 0.902 317 N CB 0.822 39.464 38.487 0.258 0.000 1.078 317 N HN 0.015 nan 8.380 nan 0.000 0.513 318 S N 0.273 116.117 115.700 0.241 0.000 2.419 318 S HA -0.075 4.394 4.470 -0.001 0.000 0.235 318 S C 1.870 176.535 174.600 0.107 0.000 1.019 318 S CA 1.250 59.590 58.200 0.233 0.000 0.982 318 S CB -0.219 63.091 63.200 0.183 0.000 0.789 318 S HN 0.497 nan 8.310 nan 0.000 0.490 319 G N 0.753 109.468 108.800 -0.141 0.000 2.744 319 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.211 319 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.211 319 G C 0.772 175.597 174.900 -0.124 0.000 1.143 319 G CA -0.064 44.776 45.100 -0.434 0.000 0.788 319 G HN 0.433 nan 8.290 nan 0.000 0.534 320 N N 0.341 119.104 118.700 0.105 0.000 2.575 320 N HA 0.180 4.920 4.740 -0.001 0.000 0.275 320 N C 0.192 175.726 175.510 0.039 0.000 1.202 320 N CA -0.158 52.986 53.050 0.157 0.000 0.945 320 N CB 0.034 38.663 38.487 0.236 0.000 1.247 320 N HN 0.028 nan 8.380 nan 0.000 0.510 321 R N -0.698 119.825 120.500 0.039 0.000 2.906 321 R HA 0.405 4.744 4.340 -0.001 0.000 0.258 321 R C -1.342 175.080 176.300 0.204 0.000 1.156 321 R CA -0.628 55.411 56.100 -0.103 0.000 0.996 321 R CB 0.780 30.653 30.300 -0.713 0.000 1.259 321 R HN 0.215 nan 8.270 nan 0.000 0.462 322 W N 1.844 123.006 121.300 -0.230 0.000 1.824 322 W HA 0.182 4.841 4.660 -0.001 0.000 0.304 322 W C -0.803 175.651 176.519 -0.108 0.000 1.021 322 W CA -0.598 56.737 57.345 -0.017 0.000 1.088 322 W CB 0.106 29.687 29.460 0.203 0.000 1.089 322 W HN 0.563 nan 8.180 nan 0.000 0.296 323 F N 0.852 120.763 119.950 -0.066 0.000 2.529 323 F HA -0.184 4.342 4.527 -0.001 0.000 0.297 323 F C 1.886 177.680 175.800 -0.010 0.000 1.114 323 F CA 1.268 59.243 58.000 -0.042 0.000 1.467 323 F CB -0.206 38.726 39.000 -0.112 0.000 1.096 323 F HN -0.034 nan 8.300 nan 0.000 0.586 324 D N 0.025 120.486 120.400 0.101 0.000 2.249 324 D HA -0.059 4.580 4.640 -0.001 0.000 0.205 324 D C 1.118 177.587 176.300 0.281 0.000 0.962 324 D CA 0.560 54.672 54.000 0.187 0.000 0.860 324 D CB -0.078 40.846 40.800 0.207 0.000 0.955 324 D HN 0.079 nan 8.370 nan 0.000 0.505 325 K N 1.088 121.723 120.400 0.392 0.000 2.448 325 K HA 0.003 4.323 4.320 -0.001 0.000 0.278 325 K C 1.064 177.804 176.600 0.233 0.000 1.009 325 K CA 0.300 56.788 56.287 0.335 0.000 0.995 325 K CB 0.698 33.413 32.500 0.358 0.000 0.917 325 K HN -0.221 nan 8.250 nan 0.000 0.481 326 T N 3.533 118.213 114.554 0.210 0.000 2.652 326 T HA -0.089 4.261 4.350 -0.001 0.000 0.267 326 T C 0.362 175.174 174.700 0.187 0.000 1.039 326 T CA 1.176 63.385 62.100 0.182 0.000 1.153 326 T CB -0.113 68.853 68.868 0.163 0.000 0.863 326 T HN 0.413 nan 8.240 nan 0.000 0.428 327 L N 1.354 122.704 121.223 0.211 0.000 2.349 327 L HA 0.480 4.820 4.340 -0.001 0.000 0.278 327 L C -0.536 176.500 176.870 0.278 0.000 0.996 327 L CA -0.534 54.427 54.840 0.202 0.000 0.825 327 L CB 1.968 44.195 42.059 0.281 0.000 1.243 327 L HN 0.077 nan 8.230 nan 0.000 0.412 328 Q N 3.403 123.288 119.800 0.142 0.000 2.320 328 Q HA 0.453 4.793 4.340 -0.001 0.000 0.268 328 Q C -1.541 174.507 176.000 0.080 0.000 1.023 328 Q CA -0.586 55.331 55.803 0.190 0.000 0.744 328 Q CB 2.461 31.248 28.738 0.081 0.000 1.246 328 Q HN 0.372 nan 8.270 nan 0.000 0.462 329 F N 4.058 124.026 119.950 0.030 0.000 2.391 329 F HA 0.388 4.915 4.527 -0.001 0.000 0.359 329 F C 0.427 176.253 175.800 0.044 0.000 1.122 329 F CA -0.914 57.082 58.000 -0.008 0.000 1.120 329 F CB 0.617 39.561 39.000 -0.092 0.000 1.142 329 F HN 0.334 nan 8.300 nan 0.000 0.483 330 I N 2.686 123.354 120.570 0.163 0.000 2.328 330 I HA 0.557 4.727 4.170 -0.001 0.000 0.287 330 I C -0.981 175.254 176.117 0.197 0.000 1.012 330 I CA -0.958 60.437 61.300 0.158 0.000 1.195 330 I CB 1.098 39.163 38.000 0.108 0.000 1.350 330 I HN 0.078 nan 8.210 nan 0.000 0.464 331 V N 5.759 125.806 119.914 0.223 0.000 2.370 331 V HA 0.647 4.767 4.120 -0.001 0.000 0.283 331 V C 0.898 177.151 176.094 0.266 0.000 1.023 331 V CA -0.354 62.121 62.300 0.292 0.000 0.857 331 V CB 1.020 33.025 31.823 0.303 0.000 0.985 331 V HN 0.951 nan 8.190 nan 0.000 0.443 332 A N 3.544 126.535 122.820 0.284 0.000 2.250 332 A HA 0.460 4.779 4.320 -0.001 0.000 0.283 332 A C 1.183 178.955 177.584 0.313 0.000 1.206 332 A CA 0.077 52.262 52.037 0.247 0.000 0.840 332 A CB 0.479 19.591 19.000 0.187 0.000 1.220 332 A HN 0.892 nan 8.150 nan 0.000 0.505 333 E N -0.816 119.540 120.200 0.260 0.000 2.038 333 E HA -0.155 4.194 4.350 -0.001 0.000 0.190 333 E C 1.299 178.076 176.600 0.296 0.000 0.967 333 E CA 1.000 57.566 56.400 0.277 0.000 0.816 333 E CB -0.232 29.593 29.700 0.208 0.000 0.784 333 E HN 0.786 nan 8.360 nan 0.000 0.456 334 D N -0.839 119.666 120.400 0.174 0.000 2.280 334 D HA -0.130 4.510 4.640 -0.001 0.000 0.206 334 D C 1.288 177.554 176.300 -0.056 0.000 0.988 334 D CA 1.590 55.641 54.000 0.084 0.000 0.886 334 D CB -0.267 40.585 40.800 0.087 0.000 0.914 334 D HN 0.458 nan 8.370 nan 0.000 0.473 335 G N -1.691 107.065 108.800 -0.073 0.000 2.425 335 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.177 335 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.177 335 G C 0.228 174.993 174.900 -0.224 0.000 0.999 335 G CA 0.054 44.812 45.100 -0.570 0.000 0.723 335 G HN 0.392 nan 8.290 nan 0.000 0.491 336 S N 0.304 116.011 115.700 0.011 0.000 2.579 336 S HA 0.569 5.039 4.470 -0.001 0.000 0.275 336 S C 0.527 175.210 174.600 0.137 0.000 1.345 336 S CA 0.556 58.797 58.200 0.069 0.000 1.031 336 S CB 1.223 64.474 63.200 0.085 0.000 0.892 336 S HN 1.741 nan 8.310 nan 0.000 0.529 337 C N -0.238 119.145 119.300 0.138 0.000 3.284 337 C HA 0.973 5.432 4.460 -0.001 0.000 0.338 337 C C 0.129 175.219 174.990 0.165 0.000 1.237 337 C CA -0.014 59.133 59.018 0.215 0.000 1.276 337 C CB 0.823 28.788 27.740 0.374 0.000 1.601 337 C HN 1.103 nan 8.230 nan 0.000 0.494 338 G N 1.720 110.607 108.800 0.146 0.000 2.474 338 G HA2 0.844 4.804 3.960 -0.001 0.000 0.234 338 G HA3 0.844 4.804 3.960 -0.001 0.000 0.234 338 G C -1.238 173.651 174.900 -0.019 0.000 1.204 338 G CA -0.120 45.023 45.100 0.072 0.000 0.939 338 G HN 1.833 nan 8.290 nan 0.000 0.491 339 M N -1.939 117.611 119.600 -0.083 0.000 3.517 339 M HA 0.849 5.329 4.480 -0.001 0.000 0.293 339 M C -1.692 174.532 176.300 -0.128 0.000 1.404 339 M CA -1.046 54.145 55.300 -0.181 0.000 0.837 339 M CB 2.019 34.346 32.600 -0.455 0.000 1.756 339 M HN 1.602 nan 8.290 nan 0.000 0.474 340 V N 1.613 121.457 119.914 -0.116 0.000 2.839 340 V HA 0.584 4.704 4.120 -0.001 0.000 0.284 340 V C -2.274 173.826 176.094 0.010 0.000 1.397 340 V CA -0.289 61.976 62.300 -0.058 0.000 0.938 340 V CB 1.862 33.686 31.823 0.001 0.000 1.112 340 V HN 1.017 nan 8.190 nan 0.000 0.443 341 Y N 3.268 123.485 120.300 -0.138 0.000 2.630 341 Y HA 0.888 5.437 4.550 -0.001 0.000 0.337 341 Y C -0.281 175.582 175.900 -0.061 0.000 1.051 341 Y CA -1.067 56.968 58.100 -0.108 0.000 1.121 341 Y CB 1.477 39.831 38.460 -0.176 0.000 1.299 341 Y HN 0.557 nan 8.280 nan 0.000 0.498 342 E N 1.399 121.602 120.200 0.006 0.000 2.167 342 E HA 0.082 4.432 4.350 -0.001 0.000 0.284 342 E C 0.390 176.941 176.600 -0.081 0.000 1.016 342 E CA 0.027 56.391 56.400 -0.060 0.000 0.817 342 E CB 0.321 30.054 29.700 0.056 0.000 1.080 342 E HN 0.876 nan 8.360 nan 0.000 0.397 343 H N 3.698 122.550 119.070 -0.364 0.000 2.456 343 H HA -0.106 4.449 4.556 -0.001 0.000 0.296 343 H C 1.430 176.369 175.328 -0.648 0.000 1.079 343 H CA 1.495 57.300 56.048 -0.405 0.000 1.322 343 H CB 0.391 29.907 29.762 -0.410 0.000 1.388 343 H HN 0.603 nan 8.280 nan 0.000 0.538 344 A N 0.967 123.454 122.820 -0.554 0.000 1.892 344 A HA -0.231 4.089 4.320 -0.001 0.000 0.218 344 A C 2.770 180.228 177.584 -0.210 0.000 1.188 344 A CA 2.228 53.932 52.037 -0.556 0.000 0.631 344 A CB -1.112 17.777 19.000 -0.185 0.000 0.822 344 A HN 0.511 nan 8.150 nan 0.000 0.447 345 A N -0.978 121.798 122.820 -0.074 0.000 1.849 345 A HA 0.330 4.649 4.320 -0.001 0.000 0.217 345 A C 1.386 178.957 177.584 -0.021 0.000 1.202 345 A CA 2.594 54.626 52.037 -0.008 0.000 0.629 345 A CB -0.768 18.250 19.000 0.031 0.000 0.834 345 A HN 1.854 nan 8.150 nan 0.000 0.447 346 A N -2.557 120.250 122.820 -0.022 0.000 2.493 346 A HA 0.625 4.945 4.320 -0.001 0.000 0.300 346 A C -1.308 176.254 177.584 -0.037 0.000 1.152 346 A CA -0.555 51.452 52.037 -0.050 0.000 0.643 346 A CB 0.229 19.123 19.000 -0.176 0.000 1.316 346 A HN 0.176 nan 8.150 nan 0.000 0.469 347 E N -0.492 119.666 120.200 -0.070 0.000 2.280 347 E HA 0.503 4.853 4.350 -0.001 0.000 0.264 347 E C 1.445 177.919 176.600 -0.211 0.000 1.064 347 E CA 0.475 56.837 56.400 -0.064 0.000 0.900 347 E CB 0.824 30.544 29.700 0.033 0.000 1.123 347 E HN 0.800 nan 8.360 nan 0.000 0.418 348 G N 1.414 110.128 108.800 -0.142 0.000 2.505 348 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.220 348 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.220 348 G C -1.110 173.670 174.900 -0.200 0.000 1.145 348 G CA 0.775 45.762 45.100 -0.189 0.000 0.761 348 G HN 0.442 nan 8.290 nan 0.000 0.571 349 P HA -0.124 nan 4.420 nan 0.000 0.208 349 P C -1.173 176.047 177.300 -0.134 0.000 1.180 349 P CA 2.224 65.267 63.100 -0.096 0.000 0.935 349 P CB -0.951 30.716 31.700 -0.054 0.000 0.785 350 P HA -0.198 nan 4.420 nan 0.000 0.217 350 P C 1.601 178.711 177.300 -0.315 0.000 1.158 350 P CA 1.517 64.347 63.100 -0.451 0.000 0.887 350 P CB -0.672 30.528 31.700 -0.833 0.000 0.792 351 I N -1.009 119.316 120.570 -0.409 0.000 2.208 351 I HA -0.160 4.010 4.170 -0.001 0.000 0.245 351 I C 2.152 178.087 176.117 -0.304 0.000 1.097 351 I CA 1.901 62.932 61.300 -0.449 0.000 1.363 351 I CB -1.294 36.249 38.000 -0.761 0.000 1.051 351 I HN -0.032 nan 8.210 nan 0.000 0.413 352 V N -1.107 118.680 119.914 -0.212 0.000 3.306 352 V HA 0.223 4.343 4.120 -0.001 0.000 0.264 352 V C 2.131 178.199 176.094 -0.043 0.000 1.149 352 V CA 0.924 63.151 62.300 -0.123 0.000 1.143 352 V CB -0.794 30.980 31.823 -0.083 0.000 0.767 352 V HN 0.264 nan 8.190 nan 0.000 0.476 353 A N -0.117 122.715 122.820 0.020 0.000 2.276 353 A HA 0.461 4.780 4.320 -0.001 0.000 0.212 353 A C 1.849 179.535 177.584 0.169 0.000 1.230 353 A CA 1.102 53.234 52.037 0.158 0.000 0.844 353 A CB -0.201 18.978 19.000 0.299 0.000 0.860 353 A HN 0.674 nan 8.150 nan 0.000 0.486 354 L N -2.232 118.908 121.223 -0.138 0.000 2.730 354 L HA 0.154 4.494 4.340 -0.001 0.000 0.236 354 L C 1.676 178.351 176.870 -0.325 0.000 1.061 354 L CA 0.530 54.949 54.840 -0.702 0.000 0.898 354 L CB 0.262 41.691 42.059 -1.050 0.000 1.270 354 L HN 0.032 nan 8.230 nan 0.000 0.500 355 V N 0.864 120.676 119.914 -0.169 0.000 2.358 355 V HA -0.219 3.901 4.120 -0.001 0.000 0.246 355 V C 2.062 178.167 176.094 0.018 0.000 1.047 355 V CA 2.119 64.379 62.300 -0.066 0.000 1.035 355 V CB -0.656 31.123 31.823 -0.073 0.000 0.658 355 V HN 0.460 nan 8.190 nan 0.000 0.452 356 D N -0.991 119.432 120.400 0.038 0.000 2.097 356 D HA -0.194 4.446 4.640 -0.001 0.000 0.195 356 D C 2.120 178.488 176.300 0.113 0.000 0.989 356 D CA 1.518 55.563 54.000 0.075 0.000 0.827 356 D CB -0.361 40.486 40.800 0.078 0.000 0.966 356 D HN 0.478 nan 8.370 nan 0.000 0.456 357 H N 0.957 120.074 119.070 0.078 0.000 2.321 357 H HA -0.059 4.496 4.556 -0.001 0.000 0.300 357 H C 2.205 177.611 175.328 0.130 0.000 1.087 357 H CA 0.908 57.042 56.048 0.143 0.000 1.319 357 H CB -0.131 29.803 29.762 0.286 0.000 1.379 357 H HN -0.070 nan 8.280 nan 0.000 0.501 358 V N 1.320 121.378 119.914 0.241 0.000 2.237 358 V HA -0.286 3.834 4.120 -0.001 0.000 0.245 358 V C 2.816 179.014 176.094 0.173 0.000 1.046 358 V CA 1.819 64.216 62.300 0.161 0.000 1.007 358 V CB -0.510 31.328 31.823 0.025 0.000 0.638 358 V HN 0.366 nan 8.190 nan 0.000 0.445 359 M N -0.480 119.208 119.600 0.148 0.000 2.346 359 M HA -0.191 4.289 4.480 -0.001 0.000 0.263 359 M C 2.078 178.469 176.300 0.151 0.000 1.064 359 M CA 1.546 56.950 55.300 0.174 0.000 1.083 359 M CB -1.266 31.420 32.600 0.144 0.000 1.399 359 M HN 0.564 nan 8.290 nan 0.000 0.435 360 E N -0.483 119.786 120.200 0.114 0.000 2.047 360 E HA -0.230 4.120 4.350 -0.001 0.000 0.191 360 E C 1.996 178.641 176.600 0.076 0.000 0.987 360 E CA 1.058 57.490 56.400 0.053 0.000 0.799 360 E CB -0.208 29.469 29.700 -0.039 0.000 0.752 360 E HN 0.444 nan 8.360 nan 0.000 0.449 361 Y N 1.376 121.688 120.300 0.020 0.000 2.274 361 Y HA -0.191 4.359 4.550 -0.001 0.000 0.290 361 Y C 2.381 178.313 175.900 0.053 0.000 1.145 361 Y CA 2.077 60.200 58.100 0.039 0.000 1.203 361 Y CB -0.406 38.103 38.460 0.081 0.000 0.984 361 Y HN 0.221 nan 8.280 nan 0.000 0.533 362 T N -3.032 111.694 114.554 0.286 0.000 3.072 362 T HA -0.066 4.284 4.350 -0.001 0.000 0.266 362 T C 1.547 176.353 174.700 0.177 0.000 1.127 362 T CA 1.270 63.537 62.100 0.277 0.000 1.107 362 T CB -0.114 69.006 68.868 0.420 0.000 0.910 362 T HN 0.320 nan 8.240 nan 0.000 0.513 363 K N 0.388 120.844 120.400 0.093 0.000 2.287 363 K HA 0.228 4.548 4.320 -0.001 0.000 0.199 363 K C 0.821 177.407 176.600 -0.023 0.000 1.061 363 K CA -0.056 56.253 56.287 0.038 0.000 0.976 363 K CB 0.306 32.826 32.500 0.033 0.000 0.898 363 K HN 0.249 nan 8.250 nan 0.000 0.492 364 K N 1.815 122.168 120.400 -0.078 0.000 2.457 364 K HA -0.028 4.292 4.320 -0.001 0.000 0.269 364 K C -2.223 174.303 176.600 -0.122 0.000 0.969 364 K CA -0.757 55.454 56.287 -0.127 0.000 0.921 364 K CB -0.244 32.126 32.500 -0.217 0.000 0.940 364 K HN -0.106 nan 8.250 nan 0.000 0.517 365 P HA -0.015 nan 4.420 nan 0.000 0.285 365 P C -0.963 176.280 177.300 -0.093 0.000 1.282 365 P CA 0.023 63.073 63.100 -0.083 0.000 0.778 365 P CB 0.433 32.093 31.700 -0.067 0.000 1.222 366 E N -0.674 119.488 120.200 -0.064 0.000 2.212 366 E HA 0.385 4.735 4.350 -0.001 0.000 0.268 366 E C -0.084 176.492 176.600 -0.039 0.000 0.902 366 E CA -0.544 55.825 56.400 -0.051 0.000 0.779 366 E CB 1.489 31.167 29.700 -0.037 0.000 1.172 366 E HN 0.218 nan 8.360 nan 0.000 0.409 367 L N 0.660 121.865 121.223 -0.030 0.000 2.675 367 L HA 0.326 4.665 4.340 -0.001 0.000 0.190 367 L C 0.399 177.264 176.870 -0.008 0.000 1.372 367 L CA -0.655 54.174 54.840 -0.018 0.000 2.736 367 L CB -0.171 41.881 42.059 -0.013 0.000 2.582 367 L HN 0.324 nan 8.230 nan 0.000 1.043 368 V N -0.323 119.591 119.914 0.001 0.000 2.339 368 V HA 0.387 4.507 4.120 -0.001 0.000 0.261 368 V C 0.072 176.171 176.094 0.009 0.000 1.058 368 V CA -0.555 61.747 62.300 0.004 0.000 0.897 368 V CB 0.458 32.286 31.823 0.007 0.000 1.052 368 V HN 0.438 nan 8.190 nan 0.000 0.480 369 R N 2.591 123.094 120.500 0.005 0.000 3.351 369 R HA 0.338 4.678 4.340 -0.001 0.000 0.296 369 R C 0.441 176.748 176.300 0.011 0.000 1.427 369 R CA -0.140 55.966 56.100 0.009 0.000 1.257 369 R CB -0.208 30.092 30.300 0.000 0.000 1.378 369 R HN 0.719 nan 8.270 nan 0.000 0.610 370 S N 2.599 118.306 115.700 0.011 0.000 2.563 370 S HA 0.086 4.556 4.470 -0.001 0.000 0.284 370 S C -1.878 172.730 174.600 0.013 0.000 1.331 370 S CA -0.577 57.628 58.200 0.008 0.000 1.047 370 S CB 0.083 63.285 63.200 0.004 0.000 0.859 370 S HN 0.206 nan 8.310 nan 0.000 0.514 371 P HA -0.134 nan 4.420 nan 0.000 0.268 371 P C -0.084 177.227 177.300 0.019 0.000 1.171 371 P CA 0.333 63.441 63.100 0.014 0.000 0.761 371 P CB 0.277 31.982 31.700 0.007 0.000 0.786 372 M N 4.126 123.743 119.600 0.027 0.000 2.522 372 M HA 0.089 4.569 4.480 -0.001 0.000 0.333 372 M C -0.010 176.305 176.300 0.026 0.000 1.632 372 M CA -0.438 54.883 55.300 0.036 0.000 1.293 372 M CB -0.341 32.283 32.600 0.041 0.000 1.857 372 M HN 0.143 nan 8.290 nan 0.000 0.456 373 V N 4.751 124.677 119.914 0.021 0.000 3.432 373 V HA 0.265 4.384 4.120 -0.001 0.000 0.304 373 V C -2.359 173.752 176.094 0.028 0.000 1.107 373 V CA -1.298 61.001 62.300 -0.002 0.000 1.153 373 V CB -0.861 30.922 31.823 -0.067 0.000 1.072 373 V HN 0.696 nan 8.190 nan 0.000 0.485 374 P HA 0.354 nan 4.420 nan 0.000 0.264 374 P C -0.767 176.571 177.300 0.064 0.000 1.236 374 P CA 0.400 63.520 63.100 0.032 0.000 0.811 374 P CB -0.013 31.698 31.700 0.019 0.000 0.840 375 L N 6.352 127.610 121.223 0.059 0.000 2.322 375 L HA 0.546 4.885 4.340 -0.001 0.000 0.281 375 L C -1.553 175.338 176.870 0.036 0.000 1.014 375 L CA -2.119 52.759 54.840 0.064 0.000 0.815 375 L CB 1.557 43.650 42.059 0.056 0.000 1.247 375 L HN 0.239 nan 8.230 nan 0.000 0.421 376 P HA 0.235 nan 4.420 nan 0.000 0.277 376 P C -0.864 176.444 177.300 0.014 0.000 1.271 376 P CA -0.742 62.370 63.100 0.020 0.000 0.795 376 P CB 0.974 32.685 31.700 0.018 0.000 1.101 377 M N 1.303 120.912 119.600 0.015 0.000 2.249 377 M HA 0.402 4.882 4.480 -0.001 0.000 0.351 377 M C -2.409 173.911 176.300 0.033 0.000 1.180 377 M CA -2.099 53.214 55.300 0.022 0.000 1.127 377 M CB -0.061 32.554 32.600 0.025 0.000 1.546 377 M HN 0.123 nan 8.290 nan 0.000 0.461 378 P HA 0.195 nan 4.420 nan 0.000 0.272 378 P C -1.442 175.925 177.300 0.112 0.000 1.223 378 P CA -0.174 62.982 63.100 0.092 0.000 0.784 378 P CB 0.387 32.171 31.700 0.140 0.000 0.923 379 K N 1.776 122.216 120.400 0.066 0.000 2.227 379 K HA 0.196 4.516 4.320 -0.001 0.000 0.280 379 K C 0.165 176.730 176.600 -0.059 0.000 1.041 379 K CA -0.603 55.681 56.287 -0.004 0.000 0.905 379 K CB 0.940 33.400 32.500 -0.067 0.000 1.068 379 K HN 0.316 nan 8.250 nan 0.000 0.470 380 K N 4.917 125.215 120.400 -0.170 0.000 2.312 380 K HA 0.145 4.465 4.320 -0.001 0.000 0.287 380 K C -0.641 175.713 176.600 -0.411 0.000 1.062 380 K CA -0.374 55.577 56.287 -0.561 0.000 0.934 380 K CB 0.411 32.579 32.500 -0.554 0.000 1.027 380 K HN 0.498 nan 8.250 nan 0.000 0.478 381 L N 6.541 127.510 121.223 -0.424 0.000 2.312 381 L HA 0.278 4.618 4.340 -0.001 0.000 0.287 381 L C 0.524 177.178 176.870 -0.360 0.000 1.091 381 L CA -0.395 54.237 54.840 -0.348 0.000 0.846 381 L CB 0.411 42.295 42.059 -0.290 0.000 1.219 381 L HN 0.568 nan 8.230 nan 0.000 0.439 382 R N 2.520 122.815 120.500 -0.342 0.000 2.583 382 R HA 0.548 4.887 4.340 -0.001 0.000 0.268 382 R C -1.099 174.976 176.300 -0.375 0.000 1.101 382 R CA -0.477 55.484 56.100 -0.232 0.000 1.180 382 R CB 0.943 31.159 30.300 -0.140 0.000 1.128 382 R HN 0.232 nan 8.270 nan 0.000 0.568 383 F N 0.672 120.622 119.950 -0.001 0.000 2.902 383 F HA 0.199 4.725 4.527 -0.001 0.000 0.368 383 F C -0.398 175.421 175.800 0.032 0.000 1.202 383 F CA -0.984 57.031 58.000 0.025 0.000 1.109 383 F CB 1.121 40.162 39.000 0.068 0.000 1.418 383 F HN 0.293 nan 8.300 nan 0.000 0.527 384 N N 4.803 123.612 118.700 0.182 0.000 2.411 384 N HA 0.036 4.775 4.740 -0.001 0.000 0.282 384 N C -0.175 175.417 175.510 0.137 0.000 1.322 384 N CA 0.322 53.444 53.050 0.120 0.000 0.943 384 N CB 0.583 39.113 38.487 0.071 0.000 1.266 384 N HN 0.293 nan 8.380 nan 0.000 0.486 385 I N 2.255 122.897 120.570 0.120 0.000 2.452 385 I HA 0.042 4.212 4.170 -0.001 0.000 0.287 385 I C 1.439 177.597 176.117 0.068 0.000 1.079 385 I CA -0.060 61.298 61.300 0.096 0.000 1.387 385 I CB -0.248 37.804 38.000 0.087 0.000 1.404 385 I HN 0.338 nan 8.210 nan 0.000 0.522 386 T N 4.215 118.805 114.554 0.060 0.000 2.919 386 T HA 0.528 4.877 4.350 -0.001 0.000 0.282 386 T C -2.204 172.519 174.700 0.037 0.000 1.020 386 T CA -1.797 60.330 62.100 0.045 0.000 0.994 386 T CB 1.998 70.891 68.868 0.042 0.000 1.180 386 T HN 0.214 nan 8.240 nan 0.000 0.566 387 P HA 0.118 nan 4.420 nan 0.000 0.227 387 P C 1.363 178.677 177.300 0.024 0.000 1.161 387 P CA 0.271 63.385 63.100 0.024 0.000 0.788 387 P CB 0.212 31.924 31.700 0.019 0.000 0.822 388 E N -0.124 120.092 120.200 0.027 0.000 2.112 388 E HA -0.020 4.330 4.350 -0.001 0.000 0.190 388 E C 1.742 178.363 176.600 0.035 0.000 0.979 388 E CA 0.901 57.317 56.400 0.027 0.000 0.814 388 E CB -0.252 29.462 29.700 0.025 0.000 0.762 388 E HN 0.247 nan 8.360 nan 0.000 0.460 389 I N 0.453 121.048 120.570 0.042 0.000 2.876 389 I HA -0.124 4.046 4.170 -0.001 0.000 0.264 389 I C 2.283 178.421 176.117 0.036 0.000 1.204 389 I CA 0.301 61.632 61.300 0.051 0.000 1.485 389 I CB -0.024 38.014 38.000 0.063 0.000 1.103 389 I HN -0.067 nan 8.210 nan 0.000 0.446 390 K N 1.918 122.336 120.400 0.031 0.000 2.103 390 K HA -0.245 4.075 4.320 -0.001 0.000 0.207 390 K C 1.806 178.415 176.600 0.015 0.000 1.048 390 K CA 1.880 58.181 56.287 0.023 0.000 0.930 390 K CB -0.251 32.263 32.500 0.023 0.000 0.716 390 K HN 0.226 nan 8.250 nan 0.000 0.444 391 N N 0.447 119.157 118.700 0.017 0.000 2.135 391 N HA -0.120 4.620 4.740 -0.001 0.000 0.186 391 N C 1.122 176.639 175.510 0.012 0.000 1.027 391 N CA 1.769 54.827 53.050 0.012 0.000 0.849 391 N CB -0.155 38.340 38.487 0.014 0.000 1.002 391 N HN 0.198 nan 8.380 nan 0.000 0.425 392 D N 0.161 120.576 120.400 0.025 0.000 2.182 392 D HA -0.111 4.529 4.640 -0.001 0.000 0.201 392 D C 1.848 178.148 176.300 0.000 0.000 0.986 392 D CA 0.852 54.871 54.000 0.032 0.000 0.847 392 D CB -0.022 40.823 40.800 0.076 0.000 0.942 392 D HN 0.473 nan 8.370 nan 0.000 0.467 393 I N 1.075 121.639 120.570 -0.010 0.000 2.439 393 I HA -0.153 4.017 4.170 -0.001 0.000 0.251 393 I C 2.059 178.152 176.117 -0.040 0.000 1.139 393 I CA 0.811 62.086 61.300 -0.041 0.000 1.438 393 I CB -0.021 37.961 38.000 -0.031 0.000 1.085 393 I HN -0.147 nan 8.210 nan 0.000 0.427 394 E N 0.749 120.936 120.200 -0.021 0.000 2.385 394 E HA -0.044 4.305 4.350 -0.001 0.000 0.194 394 E C 1.833 178.418 176.600 -0.025 0.000 1.013 394 E CA 0.468 56.855 56.400 -0.021 0.000 0.866 394 E CB 0.054 29.748 29.700 -0.010 0.000 0.832 394 E HN 0.378 nan 8.360 nan 0.000 0.500 395 K N 0.538 120.925 120.400 -0.021 0.000 2.305 395 K HA 0.154 4.474 4.320 -0.001 0.000 0.199 395 K C 1.910 178.490 176.600 -0.033 0.000 1.047 395 K CA 0.620 56.896 56.287 -0.020 0.000 0.976 395 K CB 0.191 32.688 32.500 -0.005 0.000 0.765 395 K HN 0.015 nan 8.250 nan 0.000 0.474 396 A N 2.113 124.903 122.820 -0.050 0.000 1.854 396 A HA -0.151 4.169 4.320 -0.001 0.000 0.214 396 A C 2.047 179.582 177.584 -0.082 0.000 1.192 396 A CA 1.343 53.331 52.037 -0.081 0.000 0.611 396 A CB -0.277 18.648 19.000 -0.126 0.000 0.832 396 A HN 0.202 nan 8.150 nan 0.000 0.442 397 K N -0.368 119.987 120.400 -0.075 0.000 2.044 397 K HA -0.246 4.074 4.320 -0.001 0.000 0.210 397 K C 2.297 178.861 176.600 -0.059 0.000 1.049 397 K CA 1.893 58.139 56.287 -0.069 0.000 0.927 397 K CB -0.280 32.185 32.500 -0.058 0.000 0.713 397 K HN 0.578 nan 8.250 nan 0.000 0.443 398 Q N 0.341 120.112 119.800 -0.048 0.000 2.181 398 Q HA -0.194 4.146 4.340 -0.001 0.000 0.205 398 Q C 1.909 177.883 176.000 -0.043 0.000 0.980 398 Q CA 1.496 57.275 55.803 -0.040 0.000 0.862 398 Q CB -0.101 28.618 28.738 -0.032 0.000 0.905 398 Q HN 0.277 nan 8.270 nan 0.000 0.429 399 N N 0.065 118.737 118.700 -0.047 0.000 2.132 399 N HA -0.133 4.606 4.740 -0.001 0.000 0.187 399 N C 1.522 176.997 175.510 -0.058 0.000 1.038 399 N CA 0.570 53.594 53.050 -0.043 0.000 0.846 399 N CB -0.236 38.230 38.487 -0.035 0.000 1.012 399 N HN 0.103 nan 8.380 nan 0.000 0.429 400 L N 0.671 121.843 121.223 -0.086 0.000 2.021 400 L HA -0.127 4.212 4.340 -0.001 0.000 0.215 400 L C 2.221 179.025 176.870 -0.110 0.000 1.074 400 L CA 1.942 56.712 54.840 -0.118 0.000 0.760 400 L CB -1.513 40.467 42.059 -0.132 0.000 0.889 400 L HN 0.266 nan 8.230 nan 0.000 0.433 401 S N -1.306 114.343 115.700 -0.085 0.000 2.440 401 S HA -0.137 4.333 4.470 -0.001 0.000 0.238 401 S C 1.914 176.474 174.600 -0.067 0.000 1.010 401 S CA 1.475 59.630 58.200 -0.075 0.000 0.972 401 S CB -0.449 62.717 63.200 -0.057 0.000 0.774 401 S HN 0.525 nan 8.310 nan 0.000 0.501 402 I N 0.140 120.676 120.570 -0.057 0.000 2.731 402 I HA -0.022 4.148 4.170 -0.001 0.000 0.260 402 I C 2.286 178.384 176.117 -0.033 0.000 1.138 402 I CA 0.640 61.918 61.300 -0.038 0.000 1.461 402 I CB -0.199 37.785 38.000 -0.027 0.000 1.128 402 I HN 0.307 nan 8.210 nan 0.000 0.438 403 M N 0.350 119.923 119.600 -0.044 0.000 2.213 403 M HA -0.182 4.298 4.480 -0.001 0.000 0.263 403 M C 2.183 178.436 176.300 -0.079 0.000 1.062 403 M CA 1.969 57.253 55.300 -0.027 0.000 1.105 403 M CB -0.280 32.274 32.600 -0.078 0.000 1.385 403 M HN 0.178 nan 8.290 nan 0.000 0.417 404 I N -0.354 120.111 120.570 -0.176 0.000 2.277 404 I HA -0.234 3.936 4.170 -0.001 0.000 0.243 404 I C 2.137 178.179 176.117 -0.126 0.000 1.094 404 I CA 1.207 62.335 61.300 -0.288 0.000 1.393 404 I CB -0.367 37.379 38.000 -0.423 0.000 1.078 404 I HN 0.256 nan 8.210 nan 0.000 0.417 405 Q N -0.001 119.757 119.800 -0.070 0.000 2.561 405 Q HA -0.231 4.108 4.340 -0.001 0.000 0.217 405 Q C 0.747 176.757 176.000 0.015 0.000 0.980 405 Q CA 1.067 56.859 55.803 -0.019 0.000 0.927 405 Q CB -0.102 28.630 28.738 -0.011 0.000 0.980 405 Q HN 0.403 nan 8.270 nan 0.000 0.525 406 D N -1.117 119.304 120.400 0.034 0.000 2.433 406 D HA 0.046 4.686 4.640 -0.001 0.000 0.211 406 D C -0.842 175.571 176.300 0.188 0.000 1.114 406 D CA -0.189 53.873 54.000 0.104 0.000 0.837 406 D CB 0.559 41.421 40.800 0.103 0.000 0.984 406 D HN -0.000 nan 8.370 nan 0.000 0.505 407 L N 1.184 122.475 121.223 0.114 0.000 2.292 407 L HA 0.450 4.790 4.340 -0.001 0.000 0.284 407 L C -1.078 175.825 176.870 0.056 0.000 1.065 407 L CA -0.218 54.684 54.840 0.104 0.000 0.806 407 L CB 1.466 43.571 42.059 0.077 0.000 1.175 407 L HN -0.158 nan 8.230 nan 0.000 0.431 408 D N 4.993 125.407 120.400 0.023 0.000 2.462 408 D HA 0.505 5.144 4.640 -0.001 0.000 0.245 408 D C -1.052 175.244 176.300 -0.007 0.000 1.122 408 D CA -0.114 53.895 54.000 0.016 0.000 0.864 408 D CB 0.553 41.370 40.800 0.028 0.000 1.098 408 D HN 0.406 nan 8.370 nan 0.000 0.541 409 I N 2.239 122.798 120.570 -0.017 0.000 2.740 409 I HA 0.590 4.760 4.170 -0.001 0.000 0.303 409 I C -0.454 175.628 176.117 -0.058 0.000 1.044 409 I CA -1.125 60.142 61.300 -0.054 0.000 1.064 409 I CB 1.947 39.877 38.000 -0.117 0.000 1.249 409 I HN 0.284 nan 8.210 nan 0.000 0.433 410 M N 5.992 125.553 119.600 -0.065 0.000 2.271 410 M HA 0.566 5.046 4.480 -0.001 0.000 0.285 410 M C -1.930 174.340 176.300 -0.049 0.000 1.059 410 M CA -0.586 54.682 55.300 -0.053 0.000 0.940 410 M CB 1.986 34.554 32.600 -0.053 0.000 1.636 410 M HN 0.372 nan 8.290 nan 0.000 0.460 411 M N 5.934 125.512 119.600 -0.038 0.000 2.061 411 M HA 0.463 4.943 4.480 -0.001 0.000 0.346 411 M C -1.405 174.928 176.300 0.055 0.000 1.112 411 M CA -0.648 54.647 55.300 -0.008 0.000 1.021 411 M CB 0.495 33.066 32.600 -0.048 0.000 1.530 411 M HN 0.801 nan 8.290 nan 0.000 0.437 412 L N 4.216 125.509 121.223 0.117 0.000 2.287 412 L HA 0.556 4.896 4.340 -0.001 0.000 0.287 412 L C -0.433 176.572 176.870 0.225 0.000 1.022 412 L CA 0.330 55.269 54.840 0.165 0.000 0.814 412 L CB 1.523 43.678 42.059 0.160 0.000 1.217 412 L HN 0.676 nan 8.230 nan 0.000 0.420 413 T N 5.770 120.418 114.554 0.156 0.000 2.853 413 T HA 0.277 4.626 4.350 -0.001 0.000 0.317 413 T C -0.425 174.376 174.700 0.169 0.000 1.059 413 T CA 0.087 62.276 62.100 0.148 0.000 0.954 413 T CB -0.235 68.678 68.868 0.075 0.000 0.994 413 T HN 0.355 nan 8.240 nan 0.000 0.479 414 F N 5.131 125.118 119.950 0.061 0.000 2.509 414 F HA 0.214 4.741 4.527 -0.000 0.000 0.350 414 F C 1.675 177.476 175.800 0.001 0.000 1.220 414 F CA -1.409 56.594 58.000 0.006 0.000 1.151 414 F CB -0.232 38.819 39.000 0.085 0.000 1.379 414 F HN 0.739 nan 8.300 nan 0.000 0.610 415 H N 1.944 120.781 119.070 -0.388 0.000 2.470 415 H HA -0.079 4.477 4.556 -0.001 0.000 0.289 415 H C 1.333 176.374 175.328 -0.478 0.000 1.033 415 H CA 0.912 56.744 56.048 -0.360 0.000 1.331 415 H CB -0.240 29.334 29.762 -0.314 0.000 1.414 415 H HN 0.536 nan 8.280 nan 0.000 0.545 416 H N 1.288 120.038 119.070 -0.534 0.000 2.362 416 H HA -0.143 4.412 4.556 -0.001 0.000 0.294 416 H C 0.383 175.534 175.328 -0.294 0.000 1.113 416 H CA 1.894 57.549 56.048 -0.655 0.000 1.253 416 H CB -0.317 28.874 29.762 -0.952 0.000 1.363 416 H HN 0.581 nan 8.280 nan 0.000 0.494 417 F N -3.881 115.943 119.950 -0.210 0.000 3.265 417 F HA 0.557 5.084 4.527 -0.001 0.000 0.328 417 F C 0.171 176.080 175.800 0.181 0.000 1.117 417 F CA -0.519 57.489 58.000 0.013 0.000 0.850 417 F CB 0.690 39.711 39.000 0.036 0.000 1.470 417 F HN 0.039 nan 8.300 nan 0.000 0.473 418 G N 0.302 109.444 108.800 0.570 0.000 3.433 418 G HA2 0.275 4.234 3.960 -0.001 0.000 0.173 418 G HA3 0.275 4.234 3.960 -0.001 0.000 0.173 418 G C -0.202 174.920 174.900 0.370 0.000 1.196 418 G CA -0.398 44.943 45.100 0.401 0.000 1.062 418 G HN 0.634 nan 8.290 nan 0.000 0.699 419 K N 0.696 121.220 120.400 0.208 0.000 2.217 419 K HA -0.017 4.303 4.320 -0.001 0.000 0.202 419 K C 2.176 178.823 176.600 0.079 0.000 1.051 419 K CA 1.548 57.910 56.287 0.126 0.000 0.952 419 K CB -0.103 32.451 32.500 0.090 0.000 0.736 419 K HN 0.508 nan 8.250 nan 0.000 0.453 420 D N 1.171 121.640 120.400 0.115 0.000 2.205 420 D HA -0.287 4.353 4.640 -0.001 0.000 0.190 420 D C 1.687 177.984 176.300 -0.004 0.000 1.002 420 D CA 1.503 55.546 54.000 0.071 0.000 0.848 420 D CB -0.918 39.954 40.800 0.120 0.000 0.975 420 D HN 0.150 nan 8.370 nan 0.000 0.449 421 F N 1.923 121.781 119.950 -0.153 0.000 2.026 421 F HA -0.042 4.484 4.527 -0.001 0.000 0.296 421 F C -0.853 174.717 175.800 -0.384 0.000 1.133 421 F CA 1.348 59.136 58.000 -0.354 0.000 1.188 421 F CB -1.367 37.169 39.000 -0.773 0.000 0.968 421 F HN -0.001 nan 8.300 nan 0.000 0.476 422 P HA -0.234 nan 4.420 nan 0.000 0.216 422 P C 1.317 178.410 177.300 -0.345 0.000 1.154 422 P CA 2.492 65.261 63.100 -0.552 0.000 0.865 422 P CB -0.157 31.305 31.700 -0.397 0.000 0.789 423 K N -0.353 119.914 120.400 -0.221 0.000 2.057 423 K HA -0.117 4.202 4.320 -0.001 0.000 0.207 423 K C 2.331 178.816 176.600 -0.192 0.000 1.049 423 K CA 1.966 58.166 56.287 -0.146 0.000 0.931 423 K CB -0.751 31.704 32.500 -0.074 0.000 0.714 423 K HN 0.206 nan 8.250 nan 0.000 0.440 424 S N 1.161 116.702 115.700 -0.265 0.000 2.442 424 S HA -0.112 4.358 4.470 -0.001 0.000 0.236 424 S C 1.410 175.820 174.600 -0.317 0.000 1.007 424 S CA 1.028 59.070 58.200 -0.264 0.000 0.965 424 S CB -0.036 63.002 63.200 -0.270 0.000 0.773 424 S HN 0.164 nan 8.310 nan 0.000 0.504 425 E N 0.770 120.706 120.200 -0.440 0.000 2.437 425 E HA 0.175 4.525 4.350 -0.001 0.000 0.189 425 E C 0.035 176.525 176.600 -0.184 0.000 1.054 425 E CA -0.085 56.102 56.400 -0.355 0.000 0.874 425 E CB 0.074 29.480 29.700 -0.490 0.000 1.011 425 E HN 0.295 nan 8.360 nan 0.000 0.474 426 K N -0.015 120.295 120.400 -0.149 0.000 3.069 426 K HA -0.179 4.141 4.320 -0.001 0.000 0.267 426 K C -0.469 176.102 176.600 -0.050 0.000 1.082 426 K CA 0.556 56.795 56.287 -0.080 0.000 0.782 426 K CB -2.008 30.458 32.500 -0.057 0.000 1.230 426 K HN 0.239 nan 8.250 nan 0.000 0.488 427 L N -0.026 121.160 121.223 -0.062 0.000 2.362 427 L HA 0.370 4.710 4.340 -0.001 0.000 0.271 427 L C 0.813 177.698 176.870 0.025 0.000 1.002 427 L CA -0.909 53.935 54.840 0.006 0.000 0.818 427 L CB 1.916 44.011 42.059 0.060 0.000 1.298 427 L HN 0.014 nan 8.230 nan 0.000 0.420 428 S N 2.380 118.127 115.700 0.079 0.000 2.525 428 S HA 0.165 4.635 4.470 -0.001 0.000 0.285 428 S C -1.629 173.059 174.600 0.145 0.000 1.283 428 S CA -0.823 57.439 58.200 0.103 0.000 1.072 428 S CB 0.901 64.180 63.200 0.132 0.000 0.867 428 S HN 0.414 nan 8.310 nan 0.000 0.492 429 P HA -0.091 nan 4.420 nan 0.000 0.215 429 P C 0.966 178.412 177.300 0.242 0.000 1.157 429 P CA 1.344 64.535 63.100 0.152 0.000 0.868 429 P CB 0.049 31.823 31.700 0.122 0.000 0.788 430 D N -0.735 119.804 120.400 0.232 0.000 2.123 430 D HA -0.116 4.524 4.640 -0.001 0.000 0.200 430 D C 1.881 178.294 176.300 0.187 0.000 0.976 430 D CA 1.251 55.417 54.000 0.277 0.000 0.831 430 D CB -0.601 40.373 40.800 0.291 0.000 0.974 430 D HN -0.044 nan 8.370 nan 0.000 0.469 431 A N 0.081 122.997 122.820 0.160 0.000 1.851 431 A HA -0.159 4.161 4.320 -0.001 0.000 0.216 431 A C 2.203 179.703 177.584 -0.139 0.000 1.195 431 A CA 1.576 53.523 52.037 -0.150 0.000 0.622 431 A CB -1.509 17.599 19.000 0.179 0.000 0.831 431 A HN 0.464 nan 8.150 nan 0.000 0.444 432 F N 0.646 120.563 119.950 -0.055 0.000 2.147 432 F HA -0.210 4.316 4.527 -0.001 0.000 0.301 432 F C 1.919 177.729 175.800 0.017 0.000 1.084 432 F CA 1.792 59.790 58.000 -0.004 0.000 1.268 432 F CB -0.183 38.865 39.000 0.079 0.000 1.009 432 F HN 0.212 nan 8.300 nan 0.000 0.486 433 I N -0.392 120.361 120.570 0.305 0.000 2.439 433 I HA -0.212 3.958 4.170 -0.001 0.000 0.251 433 I C 2.083 178.175 176.117 -0.042 0.000 1.139 433 I CA 0.694 62.089 61.300 0.158 0.000 1.438 433 I CB -0.468 37.573 38.000 0.069 0.000 1.085 433 I HN 0.166 nan 8.210 nan 0.000 0.427 434 Q N 0.084 119.821 119.800 -0.104 0.000 2.311 434 Q HA -0.028 4.312 4.340 -0.001 0.000 0.203 434 Q C 2.297 178.201 176.000 -0.161 0.000 0.954 434 Q CA 0.974 56.684 55.803 -0.156 0.000 0.885 434 Q CB 0.143 28.674 28.738 -0.345 0.000 0.963 434 Q HN 0.373 nan 8.270 nan 0.000 0.471 435 V N 0.423 120.220 119.914 -0.195 0.000 2.878 435 V HA -0.046 4.074 4.120 -0.001 0.000 0.250 435 V C 2.114 178.193 176.094 -0.026 0.000 1.075 435 V CA 1.248 63.480 62.300 -0.113 0.000 1.096 435 V CB -0.363 31.326 31.823 -0.222 0.000 0.724 435 V HN 0.230 nan 8.190 nan 0.000 0.467 436 A N -0.161 122.602 122.820 -0.096 0.000 1.968 436 A HA -0.109 4.210 4.320 -0.001 0.000 0.217 436 A C 2.067 179.639 177.584 -0.020 0.000 1.169 436 A CA 1.524 53.531 52.037 -0.050 0.000 0.638 436 A CB -0.371 18.579 19.000 -0.083 0.000 0.812 436 A HN 0.435 nan 8.150 nan 0.000 0.446 437 L N -0.585 120.611 121.223 -0.046 0.000 2.109 437 L HA -0.126 4.213 4.340 -0.001 0.000 0.207 437 L C 2.349 179.260 176.870 0.067 0.000 1.086 437 L CA 1.814 56.637 54.840 -0.029 0.000 0.760 437 L CB -0.558 41.471 42.059 -0.050 0.000 0.910 437 L HN 0.325 nan 8.230 nan 0.000 0.437 438 Q N -0.605 119.238 119.800 0.072 0.000 2.020 438 Q HA -0.209 4.131 4.340 -0.001 0.000 0.202 438 Q C 2.287 178.400 176.000 0.189 0.000 0.982 438 Q CA 1.872 57.748 55.803 0.122 0.000 0.838 438 Q CB -0.859 27.932 28.738 0.087 0.000 0.899 438 Q HN 0.467 nan 8.270 nan 0.000 0.423 439 L N 0.817 122.133 121.223 0.154 0.000 1.989 439 L HA -0.136 4.204 4.340 -0.001 0.000 0.211 439 L C 2.211 179.191 176.870 0.184 0.000 1.071 439 L CA 2.273 57.206 54.840 0.155 0.000 0.749 439 L CB -0.983 41.144 42.059 0.113 0.000 0.890 439 L HN 0.166 nan 8.230 nan 0.000 0.431 440 A N -1.639 121.270 122.820 0.149 0.000 1.908 440 A HA -0.299 4.021 4.320 -0.001 0.000 0.218 440 A C 2.306 179.973 177.584 0.138 0.000 1.181 440 A CA 1.983 54.118 52.037 0.163 0.000 0.627 440 A CB -1.212 17.845 19.000 0.096 0.000 0.818 440 A HN 0.624 nan 8.150 nan 0.000 0.445 441 Y N -1.536 118.802 120.300 0.065 0.000 2.133 441 Y HA -0.239 4.310 4.550 -0.001 0.000 0.287 441 Y C 2.295 178.315 175.900 0.200 0.000 1.134 441 Y CA 2.095 60.259 58.100 0.107 0.000 1.133 441 Y CB -0.675 37.830 38.460 0.074 0.000 0.987 441 Y HN 0.424 nan 8.280 nan 0.000 0.502 442 Y N 1.338 121.750 120.300 0.186 0.000 2.207 442 Y HA -0.199 4.350 4.550 -0.001 0.000 0.287 442 Y C 1.862 177.770 175.900 0.012 0.000 1.156 442 Y CA 1.721 59.882 58.100 0.102 0.000 1.182 442 Y CB -0.442 38.068 38.460 0.084 0.000 0.979 442 Y HN 0.030 nan 8.280 nan 0.000 0.521 443 R N 0.011 120.501 120.500 -0.016 0.000 2.386 443 R HA 0.079 4.419 4.340 -0.001 0.000 0.216 443 R C 0.679 176.833 176.300 -0.244 0.000 1.119 443 R CA 0.767 56.813 56.100 -0.090 0.000 1.158 443 R CB -0.229 30.162 30.300 0.151 0.000 1.057 443 R HN 0.475 nan 8.270 nan 0.000 0.489 444 I N -3.167 117.205 120.570 -0.329 0.000 5.010 444 I HA -0.010 4.160 4.170 -0.001 0.000 0.329 444 I C 0.317 176.081 176.117 -0.589 0.000 1.229 444 I CA 0.153 61.131 61.300 -0.536 0.000 1.399 444 I CB 0.565 38.179 38.000 -0.644 0.000 1.459 444 I HN 0.038 nan 8.210 nan 0.000 0.500 445 Y N 0.870 120.925 120.300 -0.408 0.000 2.453 445 Y HA 0.422 4.972 4.550 -0.001 0.000 0.247 445 Y C 1.771 177.559 175.900 -0.187 0.000 1.124 445 Y CA 0.243 58.169 58.100 -0.290 0.000 1.243 445 Y CB 0.832 39.086 38.460 -0.343 0.000 1.213 445 Y HN 0.162 nan 8.280 nan 0.000 0.523 446 G N 1.041 109.750 108.800 -0.152 0.000 2.148 446 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.254 446 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.254 446 G C -0.052 174.901 174.900 0.089 0.000 0.981 446 G CA 0.520 45.490 45.100 -0.216 0.000 0.670 446 G HN 0.473 nan 8.290 nan 0.000 0.528 447 Q N -1.752 118.247 119.800 0.332 0.000 2.522 447 Q HA 0.782 5.122 4.340 -0.001 0.000 0.285 447 Q C -0.366 175.937 176.000 0.504 0.000 0.982 447 Q CA -0.628 55.456 55.803 0.469 0.000 0.805 447 Q CB 0.981 29.877 28.738 0.263 0.000 1.457 447 Q HN 1.329 nan 8.270 nan 0.000 0.394 448 A N 0.490 123.483 122.820 0.288 0.000 2.304 448 A HA 0.759 5.079 4.320 -0.001 0.000 0.271 448 A C 0.223 177.911 177.584 0.173 0.000 1.091 448 A CA 0.014 52.166 52.037 0.192 0.000 0.812 448 A CB 0.311 19.330 19.000 0.032 0.000 1.056 448 A HN 1.069 nan 8.150 nan 0.000 0.489 449 C N -0.972 118.371 119.300 0.071 0.000 3.044 449 C HA 0.892 5.352 4.460 -0.001 0.000 0.315 449 C C 0.481 175.457 174.990 -0.024 0.000 1.320 449 C CA -0.431 58.576 59.018 -0.018 0.000 1.582 449 C CB 0.843 28.444 27.740 -0.232 0.000 2.039 449 C HN 1.609 nan 8.230 nan 0.000 0.466 450 A N 1.659 124.475 122.820 -0.007 0.000 2.484 450 A HA 0.552 4.872 4.320 -0.001 0.000 0.268 450 A C 0.347 178.054 177.584 0.204 0.000 1.114 450 A CA 0.498 52.561 52.037 0.043 0.000 0.780 450 A CB -0.600 18.315 19.000 -0.143 0.000 1.061 450 A HN 0.971 nan 8.150 nan 0.000 0.505 451 T N 2.315 117.038 114.554 0.282 0.000 2.856 451 T HA 0.507 4.856 4.350 -0.001 0.000 0.283 451 T C -1.138 173.740 174.700 0.295 0.000 1.008 451 T CA -0.045 62.209 62.100 0.257 0.000 0.997 451 T CB 0.955 69.865 68.868 0.072 0.000 0.992 451 T HN 0.513 nan 8.240 nan 0.000 0.454 452 Y N 2.069 122.330 120.300 -0.064 0.000 2.376 452 Y HA 0.548 5.098 4.550 -0.001 0.000 0.340 452 Y C -0.337 175.458 175.900 -0.176 0.000 0.965 452 Y CA -0.932 56.929 58.100 -0.398 0.000 1.078 452 Y CB 1.355 39.175 38.460 -1.066 0.000 1.193 452 Y HN 0.687 nan 8.280 nan 0.000 0.452 453 E N 4.521 124.226 120.200 -0.824 0.000 2.235 453 E HA 0.335 4.684 4.350 -0.001 0.000 0.252 453 E C -1.204 174.959 176.600 -0.729 0.000 0.886 453 E CA -0.602 55.508 56.400 -0.483 0.000 0.767 453 E CB 1.116 30.712 29.700 -0.174 0.000 1.205 453 E HN 0.631 nan 8.360 nan 0.000 0.421 454 S N 2.589 118.007 115.700 -0.469 0.000 2.575 454 S HA 0.248 4.718 4.470 -0.001 0.000 0.295 454 S C -0.430 174.068 174.600 -0.171 0.000 1.267 454 S CA 0.428 58.490 58.200 -0.231 0.000 1.074 454 S CB 0.355 63.607 63.200 0.088 0.000 0.829 454 S HN 0.562 nan 8.310 nan 0.000 0.497 455 A N 3.941 126.661 122.820 -0.168 0.000 2.340 455 A HA 0.575 4.895 4.320 -0.001 0.000 0.297 455 A C 0.094 177.628 177.584 -0.082 0.000 1.195 455 A CA -0.603 51.370 52.037 -0.105 0.000 0.769 455 A CB 1.150 20.091 19.000 -0.098 0.000 1.163 455 A HN 0.644 nan 8.150 nan 0.000 0.472 456 S N 2.116 117.780 115.700 -0.060 0.000 2.531 456 S HA 0.310 4.779 4.470 -0.001 0.000 0.279 456 S C 0.476 175.029 174.600 -0.078 0.000 1.305 456 S CA -0.295 57.868 58.200 -0.062 0.000 1.058 456 S CB 0.086 63.259 63.200 -0.045 0.000 0.899 456 S HN 0.610 nan 8.310 nan 0.000 0.493 457 L N 5.781 126.955 121.223 -0.081 0.000 2.928 457 L HA 0.296 4.636 4.340 -0.001 0.000 0.246 457 L C 1.706 178.511 176.870 -0.108 0.000 1.239 457 L CA 0.355 55.147 54.840 -0.080 0.000 1.035 457 L CB -0.607 41.468 42.059 0.027 0.000 1.360 457 L HN 0.748 nan 8.230 nan 0.000 0.529 458 R N 0.358 120.798 120.500 -0.101 0.000 2.341 458 R HA -0.130 4.210 4.340 -0.001 0.000 0.213 458 R C 1.894 178.130 176.300 -0.108 0.000 1.082 458 R CA 0.848 56.908 56.100 -0.066 0.000 1.017 458 R CB -0.097 30.185 30.300 -0.030 0.000 0.860 458 R HN 0.450 nan 8.270 nan 0.000 0.473 459 M N -1.873 117.558 119.600 -0.283 0.000 2.618 459 M HA 0.161 4.640 4.480 -0.001 0.000 0.240 459 M C -0.412 175.654 176.300 -0.389 0.000 1.123 459 M CA 1.154 56.237 55.300 -0.361 0.000 1.060 459 M CB 0.305 32.597 32.600 -0.513 0.000 1.535 459 M HN -0.217 nan 8.290 nan 0.000 0.507 460 F N 0.083 120.041 119.950 0.013 0.000 2.532 460 F HA 0.368 4.894 4.527 -0.001 0.000 0.321 460 F C 0.461 176.278 175.800 0.030 0.000 1.089 460 F CA -1.488 56.523 58.000 0.018 0.000 0.926 460 F CB 0.894 39.888 39.000 -0.009 0.000 1.168 460 F HN 0.021 nan 8.300 nan 0.000 0.459 461 H N 4.633 123.795 119.070 0.152 0.000 3.125 461 H HA 0.028 4.584 4.556 -0.001 0.000 0.310 461 H C 0.891 176.236 175.328 0.029 0.000 0.980 461 H CA 0.723 56.793 56.048 0.037 0.000 1.422 461 H CB 0.452 30.215 29.762 0.001 0.000 1.432 461 H HN 0.908 nan 8.280 nan 0.000 0.577 462 L N 2.645 123.725 121.223 -0.237 0.000 5.279 462 L HA -0.268 4.071 4.340 -0.001 0.000 0.428 462 L C 1.294 178.090 176.870 -0.124 0.000 0.974 462 L CA 0.839 55.515 54.840 -0.274 0.000 1.338 462 L CB -1.753 39.984 42.059 -0.536 0.000 1.740 462 L HN 0.831 nan 8.230 nan 0.000 0.657 463 G N -0.199 108.564 108.800 -0.061 0.000 2.568 463 G HA2 0.209 4.169 3.960 -0.001 0.000 0.231 463 G HA3 0.209 4.169 3.960 -0.001 0.000 0.231 463 G C 0.731 175.601 174.900 -0.049 0.000 1.261 463 G CA 0.098 45.175 45.100 -0.038 0.000 0.855 463 G HN 0.136 nan 8.290 nan 0.000 0.576 464 R N -0.268 120.172 120.500 -0.099 0.000 1.889 464 R HA 0.384 4.724 4.340 -0.001 0.000 0.134 464 R C 0.981 177.198 176.300 -0.139 0.000 2.065 464 R CA 1.077 57.121 56.100 -0.092 0.000 1.705 464 R CB -0.564 29.690 30.300 -0.077 0.000 1.387 464 R HN 0.746 nan 8.270 nan 0.000 0.484 465 T N -1.415 112.964 114.554 -0.291 0.000 2.816 465 T HA 0.584 4.933 4.350 -0.001 0.000 0.299 465 T C -1.001 173.473 174.700 -0.377 0.000 1.230 465 T CA -0.782 61.163 62.100 -0.259 0.000 1.007 465 T CB 2.815 71.595 68.868 -0.147 0.000 1.289 465 T HN 0.061 nan 8.240 nan 0.000 0.508 466 D N -0.982 119.277 120.400 -0.235 0.000 2.732 466 D HA 0.589 5.228 4.640 -0.001 0.000 0.292 466 D C -1.001 175.195 176.300 -0.173 0.000 1.135 466 D CA -0.272 53.607 54.000 -0.202 0.000 1.071 466 D CB 2.461 43.207 40.800 -0.090 0.000 1.457 466 D HN 0.671 nan 8.370 nan 0.000 0.547 467 T N 0.812 115.283 114.554 -0.138 0.000 2.824 467 T HA 0.589 4.938 4.350 -0.001 0.000 0.280 467 T C -0.030 174.551 174.700 -0.198 0.000 0.995 467 T CA -0.387 61.564 62.100 -0.249 0.000 1.009 467 T CB 0.605 69.424 68.868 -0.082 0.000 0.955 467 T HN 0.154 nan 8.240 nan 0.000 0.452 468 I N 3.313 123.639 120.570 -0.407 0.000 2.382 468 I HA 0.363 4.532 4.170 -0.001 0.000 0.286 468 I C 0.284 176.081 176.117 -0.534 0.000 1.002 468 I CA -0.719 60.327 61.300 -0.424 0.000 1.135 468 I CB 1.349 39.142 38.000 -0.345 0.000 1.288 468 I HN 0.331 nan 8.210 nan 0.000 0.448 469 R N 4.165 124.225 120.500 -0.732 0.000 2.198 469 R HA 0.283 4.622 4.340 -0.001 0.000 0.339 469 R C 0.699 176.771 176.300 -0.379 0.000 1.020 469 R CA -0.236 55.652 56.100 -0.353 0.000 0.864 469 R CB 1.184 31.442 30.300 -0.069 0.000 1.105 469 R HN 0.594 nan 8.270 nan 0.000 0.463 470 S N 1.714 117.342 115.700 -0.121 0.000 2.461 470 S HA -0.023 4.447 4.470 -0.001 0.000 0.228 470 S C 0.927 175.556 174.600 0.049 0.000 1.005 470 S CA 0.262 58.490 58.200 0.047 0.000 0.942 470 S CB 0.402 63.670 63.200 0.113 0.000 0.776 470 S HN 0.693 nan 8.310 nan 0.000 0.514 471 A N 2.700 125.542 122.820 0.037 0.000 2.457 471 A HA 0.554 4.874 4.320 -0.001 0.000 0.298 471 A C 0.636 178.258 177.584 0.063 0.000 1.288 471 A CA -0.509 51.557 52.037 0.049 0.000 0.956 471 A CB -0.176 18.857 19.000 0.055 0.000 1.135 471 A HN 0.375 nan 8.150 nan 0.000 0.535 472 S N 1.835 117.570 115.700 0.059 0.000 2.874 472 S HA 0.627 5.097 4.470 -0.001 0.000 0.318 472 S C 0.907 175.530 174.600 0.039 0.000 1.109 472 S CA -0.601 57.642 58.200 0.072 0.000 0.878 472 S CB 0.425 63.684 63.200 0.097 0.000 1.307 472 S HN 0.344 nan 8.310 nan 0.000 0.592 473 I N 1.081 121.672 120.570 0.036 0.000 2.286 473 I HA -0.101 4.069 4.170 -0.001 0.000 0.245 473 I C 1.424 177.548 176.117 0.012 0.000 1.104 473 I CA 1.257 62.560 61.300 0.005 0.000 1.397 473 I CB -0.321 37.676 38.000 -0.005 0.000 1.072 473 I HN 0.579 nan 8.210 nan 0.000 0.417 474 D N -0.182 120.240 120.400 0.036 0.000 2.277 474 D HA -0.116 4.523 4.640 -0.001 0.000 0.208 474 D C 2.241 178.593 176.300 0.087 0.000 0.962 474 D CA 0.999 55.030 54.000 0.051 0.000 0.865 474 D CB 0.008 40.836 40.800 0.045 0.000 0.939 474 D HN 0.166 nan 8.370 nan 0.000 0.510 475 S N 0.178 115.922 115.700 0.074 0.000 2.357 475 S HA -0.101 4.369 4.470 -0.001 0.000 0.221 475 S C 1.854 176.478 174.600 0.039 0.000 1.031 475 S CA 0.420 58.676 58.200 0.094 0.000 0.982 475 S CB -0.145 63.094 63.200 0.065 0.000 0.853 475 S HN 0.111 nan 8.310 nan 0.000 0.458 476 L N 1.977 123.176 121.223 -0.040 0.000 2.027 476 L HA 0.235 4.574 4.340 -0.001 0.000 0.206 476 L C 2.659 179.439 176.870 -0.150 0.000 1.074 476 L CA 1.980 56.721 54.840 -0.165 0.000 0.745 476 L CB -1.338 40.636 42.059 -0.142 0.000 0.898 476 L HN 0.355 nan 8.230 nan 0.000 0.433 477 A N -0.621 122.167 122.820 -0.052 0.000 1.903 477 A HA -0.331 3.988 4.320 -0.001 0.000 0.219 477 A C 2.280 179.866 177.584 0.004 0.000 1.191 477 A CA 2.330 54.356 52.037 -0.019 0.000 0.638 477 A CB -1.308 17.704 19.000 0.020 0.000 0.823 477 A HN 0.563 nan 8.150 nan 0.000 0.451 478 F N 1.325 121.238 119.950 -0.061 0.000 2.051 478 F HA -0.170 4.356 4.527 -0.001 0.000 0.296 478 F C 2.409 178.190 175.800 -0.032 0.000 1.122 478 F CA 2.286 60.260 58.000 -0.042 0.000 1.201 478 F CB -0.844 38.131 39.000 -0.041 0.000 0.978 478 F HN 0.158 nan 8.300 nan 0.000 0.472 479 V N -0.869 118.730 119.914 -0.526 0.000 2.546 479 V HA -0.275 3.844 4.120 -0.001 0.000 0.254 479 V C 2.084 178.032 176.094 -0.242 0.000 1.076 479 V CA 2.286 64.284 62.300 -0.505 0.000 1.087 479 V CB -1.093 30.551 31.823 -0.298 0.000 0.674 479 V HN 0.435 nan 8.190 nan 0.000 0.470 480 K N 1.067 121.337 120.400 -0.217 0.000 2.166 480 K HA 0.185 4.505 4.320 -0.001 0.000 0.201 480 K C 2.311 178.882 176.600 -0.049 0.000 1.052 480 K CA 0.990 57.268 56.287 -0.015 0.000 0.969 480 K CB -0.540 31.937 32.500 -0.039 0.000 0.761 480 K HN 0.564 nan 8.250 nan 0.000 0.459 481 G N 1.418 110.159 108.800 -0.098 0.000 2.509 481 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.218 481 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.218 481 G C 1.368 176.216 174.900 -0.086 0.000 1.124 481 G CA 0.517 45.586 45.100 -0.053 0.000 0.776 481 G HN 0.127 nan 8.290 nan 0.000 0.547 482 M N 1.193 120.660 119.600 -0.222 0.000 2.111 482 M HA 0.241 4.721 4.480 -0.001 0.000 0.257 482 M C 2.482 178.733 176.300 -0.083 0.000 1.096 482 M CA 2.071 57.247 55.300 -0.207 0.000 1.117 482 M CB -0.823 31.519 32.600 -0.430 0.000 1.265 482 M HN 0.018 nan 8.290 nan 0.000 0.427 483 G N -0.136 108.626 108.800 -0.063 0.000 2.615 483 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.213 483 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.213 483 G C 0.136 175.030 174.900 -0.011 0.000 1.135 483 G CA 0.416 45.501 45.100 -0.024 0.000 0.772 483 G HN 0.532 nan 8.290 nan 0.000 0.542 484 D N 0.840 121.234 120.400 -0.010 0.000 2.374 484 D HA 0.134 4.774 4.640 -0.001 0.000 0.240 484 D C 1.829 178.128 176.300 -0.002 0.000 1.229 484 D CA 0.082 54.082 54.000 -0.001 0.000 0.895 484 D CB 0.812 41.612 40.800 0.001 0.000 1.046 484 D HN 0.160 nan 8.370 nan 0.000 0.498 485 S N 1.388 117.088 115.700 -0.000 0.000 2.584 485 S HA -0.154 4.316 4.470 -0.001 0.000 0.240 485 S C 1.561 176.163 174.600 0.004 0.000 0.975 485 S CA 1.108 59.309 58.200 0.002 0.000 0.949 485 S CB -0.381 62.819 63.200 0.001 0.000 0.761 485 S HN 0.512 nan 8.310 nan 0.000 0.536 486 T N -1.491 113.065 114.554 0.003 0.000 3.044 486 T HA 0.302 4.652 4.350 -0.001 0.000 0.250 486 T C 0.394 175.096 174.700 0.004 0.000 1.081 486 T CA -0.167 61.936 62.100 0.004 0.000 1.040 486 T CB -0.245 68.625 68.868 0.003 0.000 0.962 486 T HN 0.181 nan 8.240 nan 0.000 0.506 487 V N 3.987 123.903 119.914 0.003 0.000 2.407 487 V HA 0.408 4.528 4.120 -0.001 0.000 0.278 487 V C -2.364 173.730 176.094 0.000 0.000 1.037 487 V CA -2.231 60.070 62.300 0.002 0.000 0.900 487 V CB 1.083 32.908 31.823 0.003 0.000 0.983 487 V HN 0.250 nan 8.190 nan 0.000 0.459 488 P HA 0.180 nan 4.420 nan 0.000 0.271 488 P C 0.818 178.092 177.300 -0.043 0.000 1.218 488 P CA -0.263 62.830 63.100 -0.012 0.000 0.780 488 P CB 0.695 32.388 31.700 -0.012 0.000 0.901 489 E N 1.106 121.277 120.200 -0.048 0.000 2.273 489 E HA -0.259 4.090 4.350 -0.001 0.000 0.198 489 E C 1.338 177.682 176.600 -0.428 0.000 1.002 489 E CA 1.419 57.738 56.400 -0.136 0.000 0.828 489 E CB -0.012 29.698 29.700 0.017 0.000 0.747 489 E HN 0.522 nan 8.360 nan 0.000 0.491 490 Q N 0.148 119.749 119.800 -0.331 0.000 2.172 490 Q HA -0.120 4.219 4.340 -0.001 0.000 0.200 490 Q C 1.905 177.814 176.000 -0.152 0.000 0.964 490 Q CA 1.030 56.651 55.803 -0.303 0.000 0.855 490 Q CB 0.010 28.680 28.738 -0.114 0.000 0.918 490 Q HN 0.247 nan 8.270 nan 0.000 0.444 491 Q N 0.002 119.750 119.800 -0.086 0.000 2.402 491 Q HA -0.020 4.320 4.340 -0.001 0.000 0.206 491 Q C 1.230 177.230 176.000 0.001 0.000 0.919 491 Q CA 0.341 56.126 55.803 -0.030 0.000 0.923 491 Q CB 0.322 29.054 28.738 -0.010 0.000 1.048 491 Q HN 0.209 nan 8.270 nan 0.000 0.515 492 K N -0.161 120.234 120.400 -0.008 0.000 1.984 492 K HA -0.101 4.219 4.320 -0.001 0.000 0.209 492 K C 2.031 178.701 176.600 0.117 0.000 1.046 492 K CA 1.654 57.989 56.287 0.080 0.000 0.934 492 K CB -0.119 32.420 32.500 0.064 0.000 0.717 492 K HN 0.044 nan 8.250 nan 0.000 0.438 493 V N 2.126 122.051 119.914 0.018 0.000 2.324 493 V HA -0.252 3.868 4.120 -0.001 0.000 0.250 493 V C 1.886 177.979 176.094 -0.002 0.000 1.060 493 V CA 1.881 64.195 62.300 0.022 0.000 1.042 493 V CB -0.598 31.229 31.823 0.006 0.000 0.650 493 V HN 0.350 nan 8.190 nan 0.000 0.450 494 E N -0.266 119.931 120.200 -0.005 0.000 2.338 494 E HA -0.076 4.274 4.350 -0.001 0.000 0.197 494 E C 2.078 178.680 176.600 0.004 0.000 1.007 494 E CA 0.701 57.099 56.400 -0.004 0.000 0.849 494 E CB -0.060 29.639 29.700 -0.002 0.000 0.774 494 E HN 0.535 nan 8.360 nan 0.000 0.506 495 L N 0.321 121.572 121.223 0.047 0.000 2.354 495 L HA 0.023 4.363 4.340 -0.001 0.000 0.212 495 L C 2.217 179.054 176.870 -0.055 0.000 1.091 495 L CA 0.141 55.040 54.840 0.099 0.000 0.828 495 L CB 0.019 42.227 42.059 0.249 0.000 0.973 495 L HN 0.208 nan 8.230 nan 0.000 0.461 496 L N -0.089 120.976 121.223 -0.263 0.000 2.023 496 L HA -0.172 4.168 4.340 -0.001 0.000 0.205 496 L C 2.833 179.431 176.870 -0.453 0.000 1.073 496 L CA 1.292 55.605 54.840 -0.878 0.000 0.745 496 L CB -0.123 41.581 42.059 -0.593 0.000 0.900 496 L HN 0.146 nan 8.230 nan 0.000 0.435 497 R N -0.045 120.332 120.500 -0.204 0.000 2.091 497 R HA -0.260 4.080 4.340 -0.001 0.000 0.238 497 R C 2.277 178.528 176.300 -0.083 0.000 1.136 497 R CA 1.941 57.978 56.100 -0.104 0.000 0.959 497 R CB -0.350 29.924 30.300 -0.042 0.000 0.856 497 R HN 0.275 nan 8.270 nan 0.000 0.437 498 K N 0.924 121.280 120.400 -0.073 0.000 2.032 498 K HA -0.149 4.171 4.320 -0.001 0.000 0.209 498 K C 2.022 178.602 176.600 -0.033 0.000 1.048 498 K CA 1.674 57.941 56.287 -0.032 0.000 0.927 498 K CB -0.255 32.239 32.500 -0.010 0.000 0.712 498 K HN 0.158 nan 8.250 nan 0.000 0.441 499 A N 0.485 123.255 122.820 -0.083 0.000 1.865 499 A HA -0.133 4.186 4.320 -0.001 0.000 0.217 499 A C 2.341 179.904 177.584 -0.034 0.000 1.191 499 A CA 1.957 53.958 52.037 -0.060 0.000 0.623 499 A CB -1.002 17.920 19.000 -0.129 0.000 0.826 499 A HN 0.169 nan 8.150 nan 0.000 0.444 500 V N 0.027 119.882 119.914 -0.098 0.000 2.380 500 V HA -0.286 3.834 4.120 -0.001 0.000 0.251 500 V C 2.652 178.788 176.094 0.069 0.000 1.063 500 V CA 2.215 64.499 62.300 -0.027 0.000 1.055 500 V CB -0.657 31.154 31.823 -0.020 0.000 0.657 500 V HN 0.567 nan 8.190 nan 0.000 0.455 501 Q N -1.182 118.647 119.800 0.049 0.000 2.354 501 Q HA 0.145 4.485 4.340 -0.001 0.000 0.203 501 Q C 2.346 178.396 176.000 0.084 0.000 0.933 501 Q CA 1.199 57.043 55.803 0.068 0.000 0.901 501 Q CB -0.159 28.602 28.738 0.039 0.000 1.007 501 Q HN 0.653 nan 8.270 nan 0.000 0.495 502 A N 0.525 123.394 122.820 0.082 0.000 1.930 502 A HA -0.196 4.124 4.320 -0.001 0.000 0.217 502 A C 1.958 179.630 177.584 0.147 0.000 1.175 502 A CA 1.489 53.580 52.037 0.089 0.000 0.627 502 A CB -0.721 18.324 19.000 0.076 0.000 0.815 502 A HN 0.412 nan 8.150 nan 0.000 0.443 503 H N -0.344 118.763 119.070 0.062 0.000 2.428 503 H HA -0.006 4.549 4.556 -0.001 0.000 0.296 503 H C 2.199 177.588 175.328 0.101 0.000 1.062 503 H CA 1.463 57.556 56.048 0.075 0.000 1.350 503 H CB -0.152 29.631 29.762 0.034 0.000 1.403 503 H HN 0.475 nan 8.280 nan 0.000 0.533 504 R N 0.413 121.040 120.500 0.212 0.000 2.092 504 R HA -0.064 4.276 4.340 -0.001 0.000 0.231 504 R C 2.333 178.679 176.300 0.076 0.000 1.119 504 R CA 1.066 57.254 56.100 0.146 0.000 0.970 504 R CB -0.211 30.173 30.300 0.139 0.000 0.864 504 R HN 0.333 nan 8.270 nan 0.000 0.440 505 A N -0.276 122.588 122.820 0.074 0.000 1.969 505 A HA -0.195 4.125 4.320 -0.001 0.000 0.218 505 A C 1.950 179.559 177.584 0.042 0.000 1.169 505 A CA 0.997 53.061 52.037 0.046 0.000 0.635 505 A CB -0.668 18.347 19.000 0.025 0.000 0.810 505 A HN 0.566 nan 8.150 nan 0.000 0.445 506 Y N 0.530 120.781 120.300 -0.081 0.000 2.184 506 Y HA -0.170 4.380 4.550 -0.001 0.000 0.290 506 Y C 2.843 178.684 175.900 -0.099 0.000 1.129 506 Y CA 1.991 60.035 58.100 -0.094 0.000 1.144 506 Y CB -0.205 38.173 38.460 -0.136 0.000 0.995 506 Y HN 0.329 nan 8.280 nan 0.000 0.513 507 T N 0.272 114.867 114.554 0.067 0.000 2.635 507 T HA -0.228 4.122 4.350 -0.001 0.000 0.267 507 T C 1.157 175.885 174.700 0.047 0.000 1.040 507 T CA 1.944 64.048 62.100 0.005 0.000 1.156 507 T CB -0.464 68.382 68.868 -0.036 0.000 0.863 507 T HN 0.355 nan 8.240 nan 0.000 0.430 508 D N 0.362 120.791 120.400 0.048 0.000 2.178 508 D HA -0.007 4.633 4.640 -0.001 0.000 0.202 508 D C 2.362 178.694 176.300 0.053 0.000 0.974 508 D CA 0.808 54.836 54.000 0.046 0.000 0.841 508 D CB -0.180 40.647 40.800 0.046 0.000 0.953 508 D HN 0.313 nan 8.370 nan 0.000 0.478 509 R N 0.232 120.762 120.500 0.049 0.000 2.119 509 R HA 0.159 4.499 4.340 -0.001 0.000 0.222 509 R C 2.138 178.487 176.300 0.082 0.000 1.088 509 R CA 0.889 57.022 56.100 0.056 0.000 0.984 509 R CB -0.046 30.257 30.300 0.004 0.000 0.884 509 R HN 0.095 nan 8.270 nan 0.000 0.447 510 A N 1.536 124.411 122.820 0.091 0.000 1.855 510 A HA -0.088 4.232 4.320 -0.001 0.000 0.215 510 A C 1.999 179.634 177.584 0.084 0.000 1.191 510 A CA 1.022 53.128 52.037 0.115 0.000 0.613 510 A CB -0.451 18.644 19.000 0.158 0.000 0.829 510 A HN 0.169 nan 8.150 nan 0.000 0.442 511 I N -1.007 119.590 120.570 0.044 0.000 3.164 511 I HA -0.132 4.038 4.170 -0.001 0.000 0.278 511 I C 1.512 177.617 176.117 -0.019 0.000 1.320 511 I CA 0.813 62.108 61.300 -0.008 0.000 1.422 511 I CB -0.304 37.678 38.000 -0.030 0.000 1.066 511 I HN 0.210 nan 8.210 nan 0.000 0.503 512 R N 0.834 121.383 120.500 0.082 0.000 2.652 512 R HA 0.241 4.581 4.340 -0.001 0.000 0.372 512 R C 0.882 177.396 176.300 0.358 0.000 1.104 512 R CA 0.158 56.358 56.100 0.167 0.000 1.072 512 R CB 0.716 31.095 30.300 0.133 0.000 1.367 512 R HN 0.323 nan 8.270 nan 0.000 0.577 513 G N 1.638 110.667 108.800 0.382 0.000 2.305 513 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.287 513 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.287 513 G C 0.230 175.246 174.900 0.194 0.000 1.036 513 G CA 0.470 45.764 45.100 0.322 0.000 0.887 513 G HN 0.498 nan 8.290 nan 0.000 0.505 514 E N -0.917 119.390 120.200 0.179 0.000 2.734 514 E HA 0.554 4.904 4.350 -0.001 0.000 0.211 514 E C 1.555 178.269 176.600 0.190 0.000 0.991 514 E CA 0.276 56.770 56.400 0.158 0.000 1.065 514 E CB 0.313 30.105 29.700 0.155 0.000 1.047 514 E HN 0.691 nan 8.360 nan 0.000 0.470 515 A N 0.094 123.031 122.820 0.195 0.000 3.054 515 A HA 0.465 4.785 4.320 -0.001 0.000 0.207 515 A C 0.550 178.357 177.584 0.372 0.000 1.942 515 A CA 0.072 52.251 52.037 0.236 0.000 0.878 515 A CB 0.001 19.112 19.000 0.186 0.000 1.860 515 A HN 0.337 nan 8.150 nan 0.000 0.706 516 F N -3.758 116.336 119.950 0.240 0.000 2.801 516 F HA 0.278 4.805 4.527 -0.001 0.000 0.381 516 F C 0.716 176.643 175.800 0.212 0.000 0.861 516 F CA 0.570 58.709 58.000 0.231 0.000 1.039 516 F CB -0.228 38.895 39.000 0.205 0.000 1.041 516 F HN 0.350 nan 8.300 nan 0.000 0.596 517 D N 1.345 121.416 120.400 -0.549 0.000 2.158 517 D HA -0.107 4.533 4.640 -0.001 0.000 0.197 517 D C 2.039 178.360 176.300 0.035 0.000 0.995 517 D CA 1.485 55.291 54.000 -0.323 0.000 0.846 517 D CB 0.006 40.636 40.800 -0.284 0.000 0.941 517 D HN 0.064 nan 8.370 nan 0.000 0.456 518 R N -0.612 119.940 120.500 0.087 0.000 2.075 518 R HA -0.020 4.320 4.340 -0.001 0.000 0.226 518 R C 2.160 178.707 176.300 0.411 0.000 1.114 518 R CA 0.917 57.116 56.100 0.166 0.000 0.972 518 R CB -1.193 29.122 30.300 0.025 0.000 0.869 518 R HN 0.534 nan 8.270 nan 0.000 0.437 519 H N 0.193 119.473 119.070 0.350 0.000 2.352 519 H HA -0.057 4.498 4.556 -0.001 0.000 0.299 519 H C 1.869 177.390 175.328 0.321 0.000 1.097 519 H CA 0.965 57.263 56.048 0.416 0.000 1.311 519 H CB 0.263 30.204 29.762 0.298 0.000 1.377 519 H HN -0.005 nan 8.280 nan 0.000 0.504 520 L N 0.978 122.324 121.223 0.206 0.000 2.017 520 L HA -0.174 4.165 4.340 -0.001 0.000 0.208 520 L C 2.587 179.573 176.870 0.192 0.000 1.073 520 L CA 1.278 56.207 54.840 0.149 0.000 0.745 520 L CB -0.891 41.306 42.059 0.229 0.000 0.894 520 L HN 0.409 nan 8.230 nan 0.000 0.432 521 L N 0.030 121.366 121.223 0.188 0.000 2.265 521 L HA -0.025 4.315 4.340 -0.001 0.000 0.215 521 L C 2.200 179.081 176.870 0.020 0.000 1.117 521 L CA 1.795 56.681 54.840 0.077 0.000 0.782 521 L CB -0.914 41.239 42.059 0.158 0.000 0.914 521 L HN 0.178 nan 8.230 nan 0.000 0.441 522 G N -0.273 108.682 108.800 0.258 0.000 2.404 522 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.214 522 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.214 522 G C 1.523 176.492 174.900 0.115 0.000 1.189 522 G CA 0.858 46.176 45.100 0.363 0.000 0.789 522 G HN 0.429 nan 8.290 nan 0.000 0.533 523 L N 0.373 121.687 121.223 0.151 0.000 2.127 523 L HA -0.089 4.251 4.340 -0.001 0.000 0.211 523 L C 2.777 179.653 176.870 0.010 0.000 1.089 523 L CA 1.505 56.455 54.840 0.183 0.000 0.757 523 L CB -0.326 41.952 42.059 0.364 0.000 0.899 523 L HN 0.238 nan 8.230 nan 0.000 0.434 524 K N 0.842 121.010 120.400 -0.386 0.000 2.001 524 K HA -0.153 4.167 4.320 -0.001 0.000 0.208 524 K C 2.162 178.457 176.600 -0.509 0.000 1.048 524 K CA 1.274 57.026 56.287 -0.893 0.000 0.932 524 K CB -0.057 31.682 32.500 -1.268 0.000 0.715 524 K HN 0.234 nan 8.250 nan 0.000 0.437 525 L N 0.821 121.710 121.223 -0.557 0.000 2.141 525 L HA -0.154 4.185 4.340 -0.001 0.000 0.209 525 L C 2.695 179.318 176.870 -0.412 0.000 1.094 525 L CA 0.976 55.394 54.840 -0.704 0.000 0.763 525 L CB -0.313 40.850 42.059 -1.492 0.000 0.908 525 L HN 0.338 nan 8.230 nan 0.000 0.437 526 Q N 0.366 120.047 119.800 -0.199 0.000 2.167 526 Q HA -0.134 4.206 4.340 -0.001 0.000 0.202 526 Q C 2.107 178.162 176.000 0.093 0.000 0.970 526 Q CA 1.783 57.703 55.803 0.196 0.000 0.855 526 Q CB -0.102 28.797 28.738 0.269 0.000 0.911 526 Q HN 0.415 nan 8.270 nan 0.000 0.438 527 A N 0.172 123.000 122.820 0.013 0.000 1.898 527 A HA -0.095 4.224 4.320 -0.001 0.000 0.216 527 A C 2.068 179.657 177.584 0.007 0.000 1.181 527 A CA 1.347 53.403 52.037 0.032 0.000 0.620 527 A CB -0.635 18.399 19.000 0.057 0.000 0.819 527 A HN 0.463 nan 8.150 nan 0.000 0.442 528 I N -0.626 119.917 120.570 -0.044 0.000 2.142 528 I HA -0.277 3.893 4.170 -0.001 0.000 0.240 528 I C 2.561 178.690 176.117 0.021 0.000 1.078 528 I CA 1.884 63.163 61.300 -0.034 0.000 1.343 528 I CB -0.524 37.426 38.000 -0.084 0.000 1.046 528 I HN 0.540 nan 8.210 nan 0.000 0.405 529 E N 1.595 121.836 120.200 0.067 0.000 2.021 529 E HA -0.320 4.030 4.350 -0.001 0.000 0.200 529 E C 1.603 178.250 176.600 0.078 0.000 1.015 529 E CA 2.325 58.794 56.400 0.115 0.000 0.824 529 E CB -0.099 29.736 29.700 0.224 0.000 0.762 529 E HN 0.409 nan 8.360 nan 0.000 0.454 530 D N -0.154 120.290 120.400 0.074 0.000 2.322 530 D HA -0.130 4.510 4.640 -0.001 0.000 0.210 530 D C 0.342 176.662 176.300 0.033 0.000 0.983 530 D CA 1.132 55.162 54.000 0.049 0.000 0.902 530 D CB -0.050 40.776 40.800 0.043 0.000 0.905 530 D HN 0.283 nan 8.370 nan 0.000 0.483 531 L N -1.077 120.164 121.223 0.030 0.000 3.487 531 L HA -0.178 4.162 4.340 -0.001 0.000 0.450 531 L C -0.145 176.734 176.870 0.015 0.000 1.290 531 L CA -0.425 54.427 54.840 0.019 0.000 0.874 531 L CB -1.838 40.232 42.059 0.018 0.000 1.804 531 L HN 0.050 nan 8.230 nan 0.000 0.831 532 V N -4.098 115.826 119.914 0.017 0.000 3.204 532 V HA 0.741 4.861 4.120 -0.001 0.000 0.316 532 V C 0.874 176.980 176.094 0.019 0.000 1.160 532 V CA -0.412 61.897 62.300 0.016 0.000 1.044 532 V CB 1.995 33.828 31.823 0.017 0.000 1.136 532 V HN 0.194 nan 8.190 nan 0.000 0.455 533 S N 2.614 118.326 115.700 0.020 0.000 2.498 533 S HA 0.296 4.766 4.470 -0.001 0.000 0.281 533 S C 0.070 174.697 174.600 0.045 0.000 1.265 533 S CA -0.156 58.059 58.200 0.024 0.000 1.071 533 S CB 0.215 63.426 63.200 0.019 0.000 0.894 533 S HN 0.906 nan 8.310 nan 0.000 0.491 534 M N 5.811 125.436 119.600 0.041 0.000 2.611 534 M HA 0.101 4.581 4.480 -0.001 0.000 0.361 534 M C -2.470 173.899 176.300 0.114 0.000 1.761 534 M CA -1.804 53.538 55.300 0.070 0.000 1.145 534 M CB -0.854 31.764 32.600 0.030 0.000 2.121 534 M HN 0.265 nan 8.290 nan 0.000 0.465 535 P HA -0.073 nan 4.420 nan 0.000 0.266 535 P C 0.055 177.376 177.300 0.036 0.000 1.180 535 P CA 0.111 63.311 63.100 0.166 0.000 0.765 535 P CB 0.520 32.404 31.700 0.306 0.000 0.806 536 D N 1.525 121.918 120.400 -0.013 0.000 2.117 536 D HA -0.140 4.500 4.640 -0.001 0.000 0.197 536 D C 1.772 177.952 176.300 -0.200 0.000 0.987 536 D CA 1.036 54.995 54.000 -0.068 0.000 0.829 536 D CB -0.286 40.493 40.800 -0.036 0.000 0.961 536 D HN 0.272 nan 8.370 nan 0.000 0.460 537 I N 0.674 121.034 120.570 -0.350 0.000 2.181 537 I HA -0.318 3.852 4.170 -0.001 0.000 0.247 537 I C 1.912 177.645 176.117 -0.640 0.000 1.081 537 I CA 1.425 62.374 61.300 -0.584 0.000 1.340 537 I CB -0.343 37.023 38.000 -1.057 0.000 1.036 537 I HN -0.082 nan 8.210 nan 0.000 0.417 538 F N -1.265 118.427 119.950 -0.429 0.000 2.367 538 F HA -0.088 4.439 4.527 -0.001 0.000 0.298 538 F C 2.108 177.588 175.800 -0.534 0.000 1.094 538 F CA 0.320 57.815 58.000 -0.842 0.000 1.409 538 F CB -0.468 38.092 39.000 -0.733 0.000 1.064 538 F HN 0.003 nan 8.300 nan 0.000 0.528 539 M N -0.173 119.350 119.600 -0.129 0.000 2.618 539 M HA 0.025 4.505 4.480 -0.001 0.000 0.240 539 M C 0.006 176.290 176.300 -0.026 0.000 1.123 539 M CA 0.452 55.723 55.300 -0.049 0.000 1.060 539 M CB -1.227 31.360 32.600 -0.022 0.000 1.535 539 M HN -0.073 nan 8.290 nan 0.000 0.507 540 D N 0.630 120.997 120.400 -0.055 0.000 2.372 540 D HA 0.063 4.702 4.640 -0.001 0.000 0.243 540 D C 0.926 177.267 176.300 0.068 0.000 1.121 540 D CA 0.430 54.404 54.000 -0.043 0.000 0.898 540 D CB 1.371 42.105 40.800 -0.110 0.000 1.202 540 D HN 0.077 nan 8.370 nan 0.000 0.428 541 T N 1.445 116.021 114.554 0.037 0.000 2.708 541 T HA -0.131 4.219 4.350 -0.001 0.000 0.266 541 T C 1.847 176.595 174.700 0.079 0.000 1.037 541 T CA 1.341 63.480 62.100 0.065 0.000 1.146 541 T CB -0.198 68.706 68.868 0.060 0.000 0.865 541 T HN 0.364 nan 8.240 nan 0.000 0.435 542 S N 0.228 115.963 115.700 0.058 0.000 2.493 542 S HA -0.080 4.390 4.470 -0.001 0.000 0.243 542 S C 1.441 176.132 174.600 0.152 0.000 0.991 542 S CA 0.663 58.898 58.200 0.059 0.000 0.957 542 S CB -0.365 62.815 63.200 -0.034 0.000 0.756 542 S HN 0.586 nan 8.310 nan 0.000 0.521 543 Y N 1.406 121.757 120.300 0.085 0.000 2.301 543 Y HA 0.291 4.841 4.550 -0.001 0.000 0.295 543 Y C 2.308 178.253 175.900 0.075 0.000 1.126 543 Y CA 0.604 58.779 58.100 0.126 0.000 1.154 543 Y CB -0.563 37.960 38.460 0.105 0.000 1.075 543 Y HN 0.195 nan 8.280 nan 0.000 0.534 544 A N 0.071 123.019 122.820 0.214 0.000 2.125 544 A HA -0.092 4.228 4.320 -0.001 0.000 0.219 544 A C 2.009 179.610 177.584 0.029 0.000 1.156 544 A CA 1.677 53.792 52.037 0.130 0.000 0.671 544 A CB -0.911 18.157 19.000 0.112 0.000 0.794 544 A HN 0.576 nan 8.150 nan 0.000 0.459 545 I N -0.947 119.620 120.570 -0.005 0.000 2.368 545 I HA -0.075 4.095 4.170 -0.001 0.000 0.238 545 I C 2.832 178.879 176.117 -0.118 0.000 1.076 545 I CA 0.782 62.057 61.300 -0.041 0.000 1.397 545 I CB -0.485 37.506 38.000 -0.014 0.000 1.141 545 I HN 0.249 nan 8.210 nan 0.000 0.430 546 A N 0.566 123.319 122.820 -0.111 0.000 2.148 546 A HA -0.199 4.121 4.320 -0.001 0.000 0.222 546 A C 2.114 179.404 177.584 -0.491 0.000 1.161 546 A CA 1.635 53.578 52.037 -0.158 0.000 0.662 546 A CB -0.375 18.656 19.000 0.051 0.000 0.799 546 A HN 0.381 nan 8.150 nan 0.000 0.466 547 M N -1.397 117.889 119.600 -0.523 0.000 2.382 547 M HA 0.142 4.622 4.480 -0.001 0.000 0.247 547 M C 0.355 176.207 176.300 -0.745 0.000 1.104 547 M CA 0.279 55.171 55.300 -0.680 0.000 1.030 547 M CB -0.539 31.828 32.600 -0.389 0.000 1.424 547 M HN 0.376 nan 8.290 nan 0.000 0.486 548 H N 0.513 119.229 119.070 -0.590 0.000 2.820 548 H HA 0.232 4.788 4.556 -0.001 0.000 0.278 548 H C -1.247 173.852 175.328 -0.382 0.000 1.142 548 H CA -0.203 55.644 56.048 -0.336 0.000 1.346 548 H CB 0.088 29.752 29.762 -0.164 0.000 1.438 548 H HN -0.052 nan 8.280 nan 0.000 0.473 549 F N 4.171 124.096 119.950 -0.041 0.000 2.375 549 F HA 0.150 4.677 4.527 -0.001 0.000 0.362 549 F C 1.620 177.415 175.800 -0.008 0.000 1.129 549 F CA -0.600 57.396 58.000 -0.008 0.000 1.154 549 F CB 0.499 39.493 39.000 -0.011 0.000 1.205 549 F HN 0.490 nan 8.300 nan 0.000 0.513 550 N N 2.634 121.411 118.700 0.127 0.000 2.270 550 N HA -0.006 4.734 4.740 -0.001 0.000 0.181 550 N C 0.201 175.755 175.510 0.074 0.000 1.016 550 N CA 0.916 53.994 53.050 0.047 0.000 0.870 550 N CB 0.342 38.771 38.487 -0.097 0.000 0.979 550 N HN 0.397 nan 8.380 nan 0.000 0.431 551 L N 1.135 122.389 121.223 0.052 0.000 2.301 551 L HA 0.224 4.563 4.340 -0.001 0.000 0.278 551 L C -0.056 176.923 176.870 0.182 0.000 1.022 551 L CA -0.383 54.514 54.840 0.095 0.000 0.854 551 L CB 1.662 43.697 42.059 -0.040 0.000 1.226 551 L HN -0.144 nan 8.230 nan 0.000 0.429 552 S N 2.630 118.458 115.700 0.215 0.000 2.410 552 S HA 0.591 5.061 4.470 -0.001 0.000 0.304 552 S C -0.025 174.789 174.600 0.356 0.000 1.095 552 S CA -0.410 57.933 58.200 0.237 0.000 1.089 552 S CB 0.433 63.743 63.200 0.185 0.000 0.968 552 S HN 0.676 nan 8.310 nan 0.000 0.480 553 T N 1.367 116.144 114.554 0.372 0.000 2.887 553 T HA 0.880 5.230 4.350 -0.001 0.000 0.292 553 T C -0.638 174.258 174.700 0.328 0.000 1.087 553 T CA -0.615 61.709 62.100 0.372 0.000 1.009 553 T CB 1.618 70.672 68.868 0.309 0.000 1.203 553 T HN 0.909 nan 8.240 nan 0.000 0.518 554 S N 0.031 115.909 115.700 0.296 0.000 2.567 554 S HA 0.552 5.022 4.470 -0.001 0.000 0.270 554 S C -1.553 172.954 174.600 -0.154 0.000 1.152 554 S CA -1.050 57.228 58.200 0.130 0.000 0.835 554 S CB 1.815 65.146 63.200 0.219 0.000 1.115 554 S HN 1.098 nan 8.310 nan 0.000 0.459 555 Q N 0.640 120.294 119.800 -0.245 0.000 2.337 555 Q HA 0.692 5.032 4.340 -0.001 0.000 0.266 555 Q C -1.798 174.069 176.000 -0.223 0.000 1.023 555 Q CA -0.901 54.597 55.803 -0.509 0.000 0.829 555 Q CB 1.840 30.354 28.738 -0.374 0.000 1.306 555 Q HN 0.716 nan 8.270 nan 0.000 0.449 556 V N 4.737 124.527 119.914 -0.208 0.000 2.465 556 V HA 0.313 4.433 4.120 -0.001 0.000 0.263 556 V C -2.435 173.609 176.094 -0.084 0.000 0.981 556 V CA -1.459 60.784 62.300 -0.095 0.000 0.838 556 V CB 0.881 32.679 31.823 -0.041 0.000 1.068 556 V HN 0.763 nan 8.190 nan 0.000 0.458 557 P HA 0.391 nan 4.420 nan 0.000 0.267 557 P C -0.362 176.926 177.300 -0.019 0.000 1.205 557 P CA 0.427 63.506 63.100 -0.035 0.000 0.765 557 P CB 0.876 32.570 31.700 -0.009 0.000 0.828 558 A N 3.303 126.115 122.820 -0.014 0.000 2.357 558 A HA 0.266 4.586 4.320 -0.001 0.000 0.295 558 A C 0.805 178.399 177.584 0.016 0.000 1.121 558 A CA -0.653 51.384 52.037 0.000 0.000 0.742 558 A CB 0.798 19.794 19.000 -0.006 0.000 1.181 558 A HN 0.428 nan 8.150 nan 0.000 0.454 559 K N 0.706 121.124 120.400 0.030 0.000 2.520 559 K HA -0.048 4.271 4.320 -0.001 0.000 0.197 559 K C 0.076 176.701 176.600 0.042 0.000 1.043 559 K CA 1.109 57.419 56.287 0.038 0.000 0.944 559 K CB -0.129 32.397 32.500 0.043 0.000 0.770 559 K HN 0.662 nan 8.250 nan 0.000 0.480 560 T N 0.545 115.122 114.554 0.039 0.000 2.855 560 T HA 0.056 4.405 4.350 -0.001 0.000 0.281 560 T C -0.609 174.120 174.700 0.047 0.000 1.007 560 T CA -0.770 61.359 62.100 0.048 0.000 1.009 560 T CB 1.641 70.540 68.868 0.051 0.000 0.983 560 T HN -0.028 nan 8.240 nan 0.000 0.455 561 D N 2.265 122.704 120.400 0.066 0.000 2.597 561 D HA 0.186 4.826 4.640 -0.001 0.000 0.228 561 D C 0.160 176.497 176.300 0.063 0.000 1.120 561 D CA -0.279 53.768 54.000 0.078 0.000 1.083 561 D CB -0.749 40.129 40.800 0.130 0.000 1.116 561 D HN 0.614 nan 8.370 nan 0.000 0.487 562 C N 0.619 119.943 119.300 0.041 0.000 2.848 562 C HA 0.880 5.339 4.460 -0.001 0.000 0.317 562 C C -0.402 174.615 174.990 0.046 0.000 1.260 562 C CA -0.963 58.084 59.018 0.050 0.000 1.656 562 C CB 1.244 29.010 27.740 0.043 0.000 2.174 562 C HN 0.224 nan 8.230 nan 0.000 0.479 563 V N 2.891 122.857 119.914 0.087 0.000 2.789 563 V HA 0.681 4.800 4.120 -0.001 0.000 0.311 563 V C -0.694 175.514 176.094 0.190 0.000 1.073 563 V CA -0.530 61.841 62.300 0.119 0.000 0.921 563 V CB 1.944 33.847 31.823 0.135 0.000 1.009 563 V HN 1.136 nan 8.190 nan 0.000 0.426 564 M N 5.968 125.659 119.600 0.152 0.000 2.598 564 M HA 0.815 5.295 4.480 -0.001 0.000 0.317 564 M C -1.458 174.955 176.300 0.188 0.000 1.201 564 M CA -0.498 54.850 55.300 0.080 0.000 0.971 564 M CB 1.837 34.479 32.600 0.069 0.000 1.657 564 M HN 0.750 nan 8.290 nan 0.000 0.470 565 F N 0.656 120.620 119.950 0.025 0.000 2.713 565 F HA 0.831 5.358 4.527 -0.001 0.000 0.311 565 F C -1.940 173.840 175.800 -0.033 0.000 1.141 565 F CA -1.450 56.435 58.000 -0.191 0.000 0.939 565 F CB 1.094 40.008 39.000 -0.142 0.000 1.325 565 F HN 0.561 nan 8.300 nan 0.000 0.453 566 F N -1.081 119.005 119.950 0.228 0.000 2.704 566 F HA 0.736 5.263 4.527 -0.000 0.000 0.312 566 F C -0.007 175.860 175.800 0.110 0.000 1.108 566 F CA -1.423 56.648 58.000 0.118 0.000 1.005 566 F CB 0.340 39.371 39.000 0.053 0.000 1.277 566 F HN 0.925 nan 8.300 nan 0.000 0.445 567 G N 0.927 109.878 108.800 0.252 0.000 2.680 567 G HA2 0.439 4.398 3.960 -0.001 0.000 0.274 567 G HA3 0.439 4.398 3.960 -0.001 0.000 0.274 567 G C -2.938 172.059 174.900 0.161 0.000 1.292 567 G CA -1.092 44.074 45.100 0.110 0.000 1.007 567 G HN 0.545 nan 8.290 nan 0.000 0.578 568 P HA 0.219 nan 4.420 nan 0.000 0.281 568 P C 1.071 178.500 177.300 0.215 0.000 1.249 568 P CA -0.448 62.702 63.100 0.083 0.000 0.810 568 P CB 1.520 33.170 31.700 -0.083 0.000 1.008 569 V N 0.524 120.524 119.914 0.142 0.000 2.871 569 V HA 0.012 4.131 4.120 -0.001 0.000 0.256 569 V C 0.692 176.823 176.094 0.062 0.000 1.082 569 V CA 1.109 63.448 62.300 0.066 0.000 1.105 569 V CB -0.923 30.886 31.823 -0.024 0.000 0.713 569 V HN 0.321 nan 8.190 nan 0.000 0.473 570 V N -4.964 115.005 119.914 0.092 0.000 3.158 570 V HA 0.637 4.757 4.120 -0.001 0.000 0.315 570 V C -2.072 174.151 176.094 0.215 0.000 1.148 570 V CA -1.762 60.565 62.300 0.045 0.000 1.042 570 V CB 0.870 32.641 31.823 -0.087 0.000 1.101 570 V HN 0.016 nan 8.190 nan 0.000 0.448 571 P HA 0.062 nan 4.420 nan 0.000 0.222 571 P C -0.030 177.398 177.300 0.214 0.000 1.157 571 P CA 0.964 64.174 63.100 0.182 0.000 0.816 571 P CB 0.059 31.783 31.700 0.040 0.000 0.813 572 D N -0.197 120.295 120.400 0.153 0.000 2.622 572 D HA 0.408 5.047 4.640 -0.001 0.000 0.262 572 D C 0.488 176.817 176.300 0.048 0.000 1.189 572 D CA -0.425 53.635 54.000 0.099 0.000 0.985 572 D CB 0.453 41.323 40.800 0.117 0.000 0.994 572 D HN 0.061 nan 8.370 nan 0.000 0.513 573 G N -0.106 108.655 108.800 -0.065 0.000 2.494 573 G HA2 0.423 4.383 3.960 -0.001 0.000 0.308 573 G HA3 0.423 4.383 3.960 -0.001 0.000 0.308 573 G C -1.941 172.735 174.900 -0.373 0.000 1.263 573 G CA -0.797 44.224 45.100 -0.132 0.000 0.840 573 G HN 0.158 nan 8.290 nan 0.000 0.479 574 Y N -1.073 119.269 120.300 0.070 0.000 2.698 574 Y HA 0.715 5.265 4.550 -0.001 0.000 0.332 574 Y C 0.638 176.559 175.900 0.034 0.000 1.119 574 Y CA -0.410 57.708 58.100 0.030 0.000 1.109 574 Y CB 2.364 40.852 38.460 0.046 0.000 1.308 574 Y HN 0.822 nan 8.280 nan 0.000 0.499 575 G N 1.205 110.117 108.800 0.187 0.000 2.702 575 G HA2 0.667 4.626 3.960 -0.001 0.000 0.295 575 G HA3 0.667 4.626 3.960 -0.001 0.000 0.295 575 G C -1.605 173.285 174.900 -0.017 0.000 1.446 575 G CA -0.437 44.727 45.100 0.108 0.000 0.983 575 G HN 0.451 nan 8.290 nan 0.000 0.520 576 I N 1.891 122.482 120.570 0.035 0.000 2.468 576 I HA 0.358 4.528 4.170 -0.001 0.000 0.285 576 I C -0.693 175.497 176.117 0.121 0.000 1.039 576 I CA -0.719 60.608 61.300 0.044 0.000 1.074 576 I CB 2.153 40.226 38.000 0.122 0.000 1.228 576 I HN 0.446 nan 8.210 nan 0.000 0.436 577 C N 7.785 127.104 119.300 0.031 0.000 2.547 577 C HA 0.824 5.284 4.460 -0.001 0.000 0.313 577 C C -0.982 174.148 174.990 0.233 0.000 1.191 577 C CA -0.374 58.710 59.018 0.109 0.000 1.474 577 C CB 1.058 28.776 27.740 -0.038 0.000 2.081 577 C HN 0.727 nan 8.230 nan 0.000 0.476 578 Y N 2.716 123.075 120.300 0.098 0.000 2.581 578 Y HA 0.650 5.200 4.550 -0.000 0.000 0.345 578 Y C -0.722 175.109 175.900 -0.115 0.000 1.036 578 Y CA -1.396 56.663 58.100 -0.069 0.000 1.042 578 Y CB 0.835 39.085 38.460 -0.350 0.000 1.289 578 Y HN 0.558 nan 8.280 nan 0.000 0.471 579 N N 3.409 122.054 118.700 -0.092 0.000 2.558 579 N HA 0.392 5.132 4.740 -0.001 0.000 0.242 579 N C -3.165 172.279 175.510 -0.109 0.000 0.979 579 N CA -2.644 50.340 53.050 -0.110 0.000 0.931 579 N CB 1.366 39.801 38.487 -0.088 0.000 1.122 579 N HN 0.473 nan 8.380 nan 0.000 0.508 580 P HA 0.084 nan 4.420 nan 0.000 0.274 580 P C 0.058 177.340 177.300 -0.030 0.000 1.291 580 P CA -0.068 63.037 63.100 0.008 0.000 0.815 580 P CB 0.723 32.503 31.700 0.133 0.000 0.897 581 M N 2.432 121.974 119.600 -0.098 0.000 2.277 581 M HA 0.174 4.654 4.480 -0.001 0.000 0.210 581 M C 1.542 177.884 176.300 0.070 0.000 0.951 581 M CA 0.031 55.303 55.300 -0.046 0.000 1.743 581 M CB -0.537 31.957 32.600 -0.176 0.000 1.103 581 M HN 0.206 nan 8.290 nan 0.000 0.856 582 E N -0.263 120.020 120.200 0.140 0.000 2.206 582 E HA 0.264 4.614 4.350 -0.001 0.000 0.195 582 E C 0.944 177.656 176.600 0.185 0.000 0.935 582 E CA 0.830 57.313 56.400 0.139 0.000 0.875 582 E CB 0.236 30.001 29.700 0.107 0.000 0.841 582 E HN 0.628 nan 8.360 nan 0.000 0.477 583 A N 0.155 123.129 122.820 0.257 0.000 2.503 583 A HA 0.308 4.628 4.320 -0.001 0.000 0.263 583 A C -0.073 177.694 177.584 0.305 0.000 1.258 583 A CA 0.130 52.301 52.037 0.224 0.000 0.936 583 A CB -0.254 18.804 19.000 0.097 0.000 1.070 583 A HN 0.421 nan 8.150 nan 0.000 0.522 584 H N -2.558 116.559 119.070 0.079 0.000 2.865 584 H HA 0.590 5.145 4.556 -0.001 0.000 0.265 584 H C -1.988 173.382 175.328 0.070 0.000 1.477 584 H CA -1.610 54.475 56.048 0.062 0.000 1.157 584 H CB 0.128 29.911 29.762 0.035 0.000 1.858 584 H HN 0.051 nan 8.280 nan 0.000 0.594 585 I N 0.912 121.441 120.570 -0.068 0.000 2.649 585 I HA 0.224 4.393 4.170 -0.001 0.000 0.289 585 I C -0.922 175.041 176.117 -0.256 0.000 1.222 585 I CA -0.438 60.699 61.300 -0.272 0.000 1.046 585 I CB 2.172 39.953 38.000 -0.365 0.000 1.272 585 I HN 0.443 nan 8.210 nan 0.000 0.425 586 N N 5.464 123.997 118.700 -0.279 0.000 2.434 586 N HA 0.578 5.318 4.740 -0.001 0.000 0.272 586 N C -1.482 173.956 175.510 -0.120 0.000 1.040 586 N CA -0.364 52.624 53.050 -0.103 0.000 0.956 586 N CB 1.143 39.596 38.487 -0.057 0.000 1.108 586 N HN 0.236 nan 8.380 nan 0.000 0.481 587 F N 0.824 120.821 119.950 0.078 0.000 2.540 587 F HA 0.392 4.918 4.527 -0.001 0.000 0.317 587 F C 0.259 176.081 175.800 0.036 0.000 1.104 587 F CA -0.847 57.201 58.000 0.079 0.000 0.913 587 F CB 1.794 40.797 39.000 0.005 0.000 1.170 587 F HN 0.309 nan 8.300 nan 0.000 0.450 588 S N 1.762 117.624 115.700 0.270 0.000 2.513 588 S HA 0.928 5.397 4.470 -0.001 0.000 0.299 588 S C -1.398 173.226 174.600 0.039 0.000 1.087 588 S CA -0.723 57.531 58.200 0.091 0.000 1.012 588 S CB 1.885 65.129 63.200 0.073 0.000 1.044 588 S HN 0.359 nan 8.310 nan 0.000 0.485 589 V N 2.609 122.512 119.914 -0.018 0.000 2.569 589 V HA 0.697 4.817 4.120 -0.001 0.000 0.301 589 V C -0.225 175.870 176.094 0.000 0.000 1.044 589 V CA -0.501 61.787 62.300 -0.020 0.000 0.874 589 V CB 1.726 33.514 31.823 -0.059 0.000 1.002 589 V HN 1.171 nan 8.190 nan 0.000 0.424 590 S N 3.422 119.139 115.700 0.028 0.000 2.607 590 S HA 1.024 5.493 4.470 -0.001 0.000 0.303 590 S C -0.402 174.208 174.600 0.017 0.000 1.086 590 S CA -0.156 58.040 58.200 -0.007 0.000 0.995 590 S CB 2.580 65.740 63.200 -0.066 0.000 1.084 590 S HN 1.775 nan 8.310 nan 0.000 0.507 591 A N 0.491 123.229 122.820 -0.136 0.000 2.566 591 A HA 0.652 4.971 4.320 -0.001 0.000 0.290 591 A C -2.324 175.089 177.584 -0.286 0.000 1.071 591 A CA -0.890 50.995 52.037 -0.252 0.000 0.658 591 A CB 0.409 19.337 19.000 -0.119 0.000 1.285 591 A HN 0.749 nan 8.150 nan 0.000 0.427 592 Y N 1.270 121.571 120.300 0.002 0.000 2.360 592 Y HA 0.360 4.910 4.550 -0.001 0.000 0.337 592 Y C 1.353 177.260 175.900 0.012 0.000 1.039 592 Y CA -1.038 57.078 58.100 0.026 0.000 1.109 592 Y CB 1.430 39.915 38.460 0.041 0.000 1.201 592 Y HN 0.701 nan 8.280 nan 0.000 0.458 593 N N 0.414 119.225 118.700 0.185 0.000 2.396 593 N HA -0.147 4.593 4.740 -0.001 0.000 0.180 593 N C 1.857 177.423 175.510 0.092 0.000 1.028 593 N CA 1.280 54.394 53.050 0.106 0.000 0.893 593 N CB -0.203 38.332 38.487 0.079 0.000 0.967 593 N HN 0.709 nan 8.380 nan 0.000 0.440 594 S N -0.495 115.269 115.700 0.107 0.000 2.440 594 S HA -0.119 4.351 4.470 -0.001 0.000 0.240 594 S C 1.217 175.850 174.600 0.054 0.000 1.014 594 S CA 0.319 58.551 58.200 0.053 0.000 0.980 594 S CB -0.531 62.673 63.200 0.006 0.000 0.775 594 S HN 0.359 nan 8.310 nan 0.000 0.499 595 C N 2.122 121.474 119.300 0.087 0.000 2.225 595 C HA 0.835 5.294 4.460 -0.001 0.000 0.323 595 C C 1.644 176.668 174.990 0.056 0.000 1.164 595 C CA -0.654 58.406 59.018 0.070 0.000 1.565 595 C CB -0.476 27.317 27.740 0.089 0.000 2.124 595 C HN 0.602 nan 8.230 nan 0.000 0.461 596 A N 3.571 126.417 122.820 0.043 0.000 2.125 596 A HA -0.068 4.252 4.320 -0.001 0.000 0.219 596 A C 1.704 179.307 177.584 0.032 0.000 1.156 596 A CA 1.427 53.483 52.037 0.032 0.000 0.671 596 A CB -0.199 18.814 19.000 0.021 0.000 0.794 596 A HN 0.888 nan 8.150 nan 0.000 0.459 597 E N 0.099 120.330 120.200 0.052 0.000 2.511 597 E HA 0.031 4.380 4.350 -0.001 0.000 0.196 597 E C 0.549 177.225 176.600 0.126 0.000 1.066 597 E CA 0.920 57.371 56.400 0.084 0.000 0.871 597 E CB -0.088 29.700 29.700 0.146 0.000 0.863 597 E HN 0.710 nan 8.360 nan 0.000 0.520 598 T N -1.738 112.855 114.554 0.066 0.000 2.893 598 T HA 0.526 4.876 4.350 -0.001 0.000 0.291 598 T C -0.638 174.113 174.700 0.085 0.000 1.028 598 T CA -1.074 61.049 62.100 0.039 0.000 0.995 598 T CB 1.744 70.440 68.868 -0.288 0.000 1.051 598 T HN -0.091 nan 8.240 nan 0.000 0.470 599 N N 0.637 119.472 118.700 0.223 0.000 2.599 599 N HA 0.349 5.088 4.740 -0.001 0.000 0.283 599 N C 0.959 176.610 175.510 0.235 0.000 1.160 599 N CA -0.107 53.039 53.050 0.160 0.000 0.869 599 N CB 1.961 40.492 38.487 0.073 0.000 1.448 599 N HN 0.819 nan 8.380 nan 0.000 0.535 600 A N 3.275 126.218 122.820 0.205 0.000 1.903 600 A HA -0.171 4.149 4.320 -0.001 0.000 0.219 600 A C 2.104 179.667 177.584 -0.036 0.000 1.191 600 A CA 2.437 54.556 52.037 0.138 0.000 0.638 600 A CB -0.678 18.366 19.000 0.074 0.000 0.823 600 A HN 0.739 nan 8.150 nan 0.000 0.451 601 A N -0.671 122.085 122.820 -0.106 0.000 1.908 601 A HA -0.195 4.125 4.320 -0.001 0.000 0.218 601 A C 2.256 179.559 177.584 -0.467 0.000 1.181 601 A CA 1.938 53.777 52.037 -0.330 0.000 0.627 601 A CB -0.502 18.289 19.000 -0.348 0.000 0.818 601 A HN 0.579 nan 8.150 nan 0.000 0.445 602 R N -1.446 118.930 120.500 -0.207 0.000 2.081 602 R HA -0.077 4.263 4.340 -0.001 0.000 0.235 602 R C 2.235 178.559 176.300 0.039 0.000 1.131 602 R CA 1.642 57.723 56.100 -0.031 0.000 0.960 602 R CB -0.254 30.053 30.300 0.012 0.000 0.856 602 R HN 0.430 nan 8.270 nan 0.000 0.436 603 M N -0.054 119.493 119.600 -0.088 0.000 2.159 603 M HA -0.094 4.386 4.480 -0.001 0.000 0.263 603 M C 2.248 178.473 176.300 -0.125 0.000 1.063 603 M CA 1.663 56.848 55.300 -0.191 0.000 1.110 603 M CB -0.561 31.690 32.600 -0.581 0.000 1.374 603 M HN 0.338 nan 8.290 nan 0.000 0.411 604 A N -0.923 121.817 122.820 -0.133 0.000 1.877 604 A HA -0.200 4.119 4.320 -0.001 0.000 0.216 604 A C 1.792 179.413 177.584 0.061 0.000 1.186 604 A CA 1.571 53.547 52.037 -0.102 0.000 0.620 604 A CB -1.247 17.704 19.000 -0.080 0.000 0.822 604 A HN 0.630 nan 8.150 nan 0.000 0.443 605 H N -3.457 115.620 119.070 0.012 0.000 2.456 605 H HA -0.129 4.426 4.556 -0.000 0.000 0.296 605 H C 1.718 177.044 175.328 -0.003 0.000 1.079 605 H CA 1.456 57.518 56.048 0.023 0.000 1.322 605 H CB -0.012 29.778 29.762 0.046 0.000 1.388 605 H HN 0.634 nan 8.280 nan 0.000 0.538 606 Y N -0.086 120.237 120.300 0.038 0.000 2.397 606 Y HA -0.090 4.460 4.550 -0.000 0.000 0.292 606 Y C 2.267 178.130 175.900 -0.062 0.000 1.115 606 Y CA 0.316 58.408 58.100 -0.014 0.000 1.208 606 Y CB 0.039 38.479 38.460 -0.033 0.000 1.046 606 Y HN 0.115 nan 8.280 nan 0.000 0.552 607 L N 0.636 121.860 121.223 0.002 0.000 2.056 607 L HA -0.155 4.185 4.340 -0.001 0.000 0.207 607 L C 2.199 178.948 176.870 -0.202 0.000 1.078 607 L CA 2.070 56.807 54.840 -0.171 0.000 0.749 607 L CB -0.813 40.996 42.059 -0.417 0.000 0.901 607 L HN 0.299 nan 8.230 nan 0.000 0.433 608 E N -0.231 119.885 120.200 -0.141 0.000 2.097 608 E HA -0.346 4.004 4.350 -0.001 0.000 0.196 608 E C 2.133 178.807 176.600 0.124 0.000 1.000 608 E CA 1.720 58.124 56.400 0.006 0.000 0.804 608 E CB -0.119 29.687 29.700 0.176 0.000 0.740 608 E HN 0.433 nan 8.360 nan 0.000 0.454 609 K N 0.230 120.650 120.400 0.033 0.000 2.155 609 K HA 0.020 4.340 4.320 -0.001 0.000 0.203 609 K C 1.745 178.369 176.600 0.041 0.000 1.052 609 K CA 1.158 57.449 56.287 0.007 0.000 0.948 609 K CB -0.279 32.156 32.500 -0.109 0.000 0.728 609 K HN 0.229 nan 8.250 nan 0.000 0.448 610 A N 0.456 123.296 122.820 0.033 0.000 1.898 610 A HA -0.074 4.246 4.320 -0.001 0.000 0.216 610 A C 2.111 179.760 177.584 0.107 0.000 1.181 610 A CA 1.362 53.434 52.037 0.058 0.000 0.620 610 A CB -0.592 18.430 19.000 0.037 0.000 0.819 610 A HN 0.294 nan 8.150 nan 0.000 0.442 611 L N -0.851 120.453 121.223 0.135 0.000 2.072 611 L HA -0.115 4.224 4.340 -0.001 0.000 0.205 611 L C 2.532 179.756 176.870 0.591 0.000 1.079 611 L CA 0.878 55.957 54.840 0.399 0.000 0.752 611 L CB -0.421 41.805 42.059 0.280 0.000 0.906 611 L HN 0.347 nan 8.230 nan 0.000 0.436 612 L N -0.600 120.899 121.223 0.461 0.000 2.083 612 L HA -0.238 4.101 4.340 -0.001 0.000 0.209 612 L C 2.166 179.130 176.870 0.157 0.000 1.083 612 L CA 1.085 56.098 54.840 0.289 0.000 0.752 612 L CB -0.492 41.601 42.059 0.056 0.000 0.899 612 L HN 0.248 nan 8.230 nan 0.000 0.433 613 D N -0.304 120.178 120.400 0.137 0.000 2.084 613 D HA -0.182 4.458 4.640 -0.001 0.000 0.194 613 D C 2.365 178.752 176.300 0.144 0.000 0.990 613 D CA 1.314 55.376 54.000 0.104 0.000 0.826 613 D CB -0.103 40.747 40.800 0.083 0.000 0.971 613 D HN 0.185 nan 8.370 nan 0.000 0.453 614 M N -0.064 119.644 119.600 0.179 0.000 2.106 614 M HA -0.221 4.259 4.480 -0.001 0.000 0.259 614 M C 2.330 178.791 176.300 0.269 0.000 1.068 614 M CA 1.393 56.806 55.300 0.189 0.000 1.100 614 M CB -0.297 32.296 32.600 -0.013 0.000 1.351 614 M HN -0.027 nan 8.290 nan 0.000 0.404 615 R N 0.033 120.669 120.500 0.226 0.000 2.073 615 R HA -0.131 4.208 4.340 -0.001 0.000 0.234 615 R C 1.941 178.244 176.300 0.005 0.000 1.134 615 R CA 2.067 58.110 56.100 -0.094 0.000 0.952 615 R CB -0.348 29.491 30.300 -0.768 0.000 0.850 615 R HN 0.278 nan 8.270 nan 0.000 0.433 616 T N 1.393 115.960 114.554 0.021 0.000 2.803 616 T HA -0.155 4.195 4.350 -0.001 0.000 0.269 616 T C 1.583 176.350 174.700 0.112 0.000 1.052 616 T CA 1.264 63.389 62.100 0.042 0.000 1.136 616 T CB -0.127 68.761 68.868 0.034 0.000 0.864 616 T HN 0.183 nan 8.240 nan 0.000 0.467 617 L N -0.065 121.260 121.223 0.171 0.000 2.240 617 L HA 0.266 4.606 4.340 -0.001 0.000 0.211 617 L C 1.945 178.990 176.870 0.292 0.000 1.106 617 L CA 1.219 56.204 54.840 0.242 0.000 0.793 617 L CB -0.200 41.992 42.059 0.223 0.000 0.927 617 L HN 0.198 nan 8.230 nan 0.000 0.446 618 L N -1.292 120.100 121.223 0.281 0.000 2.270 618 L HA -0.052 4.288 4.340 -0.001 0.000 0.210 618 L C 2.279 179.291 176.870 0.237 0.000 1.104 618 L CA 0.729 55.741 54.840 0.286 0.000 0.804 618 L CB -0.167 42.125 42.059 0.388 0.000 0.937 618 L HN 0.314 nan 8.230 nan 0.000 0.450 619 Q N -0.767 119.176 119.800 0.238 0.000 2.389 619 Q HA -0.059 4.280 4.340 -0.001 0.000 0.204 619 Q C 1.446 177.466 176.000 0.033 0.000 0.944 619 Q CA 0.747 56.640 55.803 0.151 0.000 0.908 619 Q CB 0.024 28.854 28.738 0.153 0.000 1.002 619 Q HN 0.601 nan 8.270 nan 0.000 0.493 620 N N -0.241 118.449 118.700 -0.018 0.000 2.333 620 N HA -0.037 4.703 4.740 -0.001 0.000 0.178 620 N C -0.003 175.223 175.510 -0.473 0.000 1.018 620 N CA 0.344 53.241 53.050 -0.255 0.000 0.882 620 N CB 0.438 38.723 38.487 -0.337 0.000 0.984 620 N HN 0.206 nan 8.380 nan 0.000 0.434 621 H N 0.671 119.774 119.070 0.054 0.000 2.539 621 H HA 0.296 4.851 4.556 -0.001 0.000 0.247 621 H C -2.504 172.845 175.328 0.034 0.000 1.363 621 H CA -1.724 54.349 56.048 0.041 0.000 1.371 621 H CB 0.627 30.416 29.762 0.044 0.000 1.438 621 H HN 0.069 nan 8.280 nan 0.000 0.523 622 P HA 0.037 nan 4.420 nan 0.000 0.266 622 P C 1.184 178.515 177.300 0.052 0.000 1.215 622 P CA -0.013 63.116 63.100 0.048 0.000 0.763 622 P CB 0.996 32.707 31.700 0.019 0.000 0.806 623 R N 3.092 123.616 120.500 0.039 0.000 2.148 623 R HA 0.098 4.438 4.340 -0.001 0.000 0.227 623 R C 0.232 176.542 176.300 0.018 0.000 1.103 623 R CA 1.141 57.259 56.100 0.029 0.000 0.983 623 R CB 0.118 30.428 30.300 0.016 0.000 0.874 623 R HN 0.579 nan 8.270 nan 0.000 0.451 624 A N -0.355 122.471 122.820 0.010 0.000 2.610 624 A HA 0.551 4.870 4.320 -0.001 0.000 0.291 624 A C -1.074 176.509 177.584 -0.001 0.000 1.086 624 A CA -0.819 51.221 52.037 0.004 0.000 0.677 624 A CB 1.048 20.046 19.000 -0.003 0.000 1.278 624 A HN 0.141 nan 8.150 nan 0.000 0.414 625 K N 0.000 120.399 120.400 -0.002 0.000 2.780 625 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 625 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 625 K CB 0.000 32.494 32.500 -0.011 0.000 1.064 625 K HN 0.000 nan 8.250 nan 0.000 0.543