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 2d0v_1_D DATA FIRST_RESID 1 DATA SEQUENCE NDKLIELSNS NENWVMPGKN YDSNNYSTST QINVDNVKQL KHAWSFSTGE DATA SEQUENCE LHGHEGAPLV IGDVMYVHSS FPNKTFALDL NDPGHILWQH SPKQDPAARS DATA SEQUENCE VACCDLVNRG LAYWPGDDKT PSLIIKTQLD GHLVALNAKT GEEFWKVENG DATA SEQUENCE DIKVGQTLTQ APYVVHDLAI VGSSGAELGV RGHVTAYNVR TGEQAWRYYA DATA SEQUENCE TGPDAEIGLA DDFNSANPHY GQKGLGTATW EGDAWKIGGG TNWGWYAYDP DATA SEQUENCE AANLIYYGSG NPAPWNETMR PGDNKWTMTI TARDADTGKM KFGYQKTPHD DATA SEQUENCE EWDFAGVNVI MLSEQTDKTG KKRKLLTHPD RNGIVYTLDR ENGDLISADK DATA SEQUENCE LDDTVNVFKT VDLKTGLPVR DPEYGTRMDH KGTDIcPSAM GYHNQGHDSY DATA SEQUENCE DPQKQLFFMG INHIcMDWEP FMLPYRAGQF FVGATLWMYP GPKGDRQNYL DATA SEQUENCE GLGQIKAYNA ITNEYKWQHM ERFSVWGGTL ATAGNLVFYG TLDGFLKARN DATA SEQUENCE SDTGELVWKH KLPSGVIGYP MTYEHKGVQY IAVMSGVGGW PGVGLVFDLQ DATA SEQUENCE DPTAGLGAVG AFKNLQNYTQ MGGSLEVFSL DGKNPYDDVN VGEYEKG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 N HA 0.000 nan 4.740 nan 0.000 0.220 1 N C 0.000 175.707 175.510 0.328 0.000 1.280 1 N CA 0.000 53.265 53.050 0.358 0.000 0.885 1 N CB 0.000 38.643 38.487 0.260 0.000 1.341 2 D N 1.960 122.506 120.400 0.244 0.000 2.224 2 D HA 0.024 4.664 4.640 -0.000 0.000 0.205 2 D C 1.349 177.715 176.300 0.109 0.000 0.965 2 D CA 1.026 55.134 54.000 0.181 0.000 0.852 2 D CB 0.501 41.382 40.800 0.136 0.000 0.947 2 D HN 0.531 nan 8.370 nan 0.000 0.494 3 K N 0.232 120.662 120.400 0.049 0.000 2.097 3 K HA -0.008 4.312 4.320 -0.000 0.000 0.205 3 K C 2.197 178.808 176.600 0.019 0.000 1.050 3 K CA 0.423 56.706 56.287 -0.007 0.000 0.938 3 K CB -0.010 32.425 32.500 -0.109 0.000 0.718 3 K HN 0.198 nan 8.250 nan 0.000 0.442 4 L N 0.871 122.116 121.223 0.036 0.000 2.017 4 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 4 L C 2.425 179.302 176.870 0.011 0.000 1.073 4 L CA 1.270 56.117 54.840 0.012 0.000 0.745 4 L CB -0.520 41.518 42.059 -0.035 0.000 0.894 4 L HN 0.141 nan 8.230 nan 0.000 0.432 5 I N -0.154 120.486 120.570 0.117 0.000 2.163 5 I HA -0.303 3.867 4.170 -0.000 0.000 0.243 5 I C 2.605 178.765 176.117 0.072 0.000 1.085 5 I CA 1.334 62.709 61.300 0.126 0.000 1.347 5 I CB -0.278 37.852 38.000 0.217 0.000 1.044 5 I HN 0.259 nan 8.210 nan 0.000 0.408 6 E N 1.523 121.764 120.200 0.069 0.000 2.058 6 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 6 E C 2.157 178.779 176.600 0.037 0.000 0.997 6 E CA 1.506 57.937 56.400 0.051 0.000 0.801 6 E CB -0.324 29.402 29.700 0.044 0.000 0.746 6 E HN 0.406 nan 8.360 nan 0.000 0.450 7 L N 0.459 121.700 121.223 0.030 0.000 2.079 7 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 7 L C 2.562 179.438 176.870 0.011 0.000 1.081 7 L CA 1.530 56.385 54.840 0.025 0.000 0.752 7 L CB -0.533 41.547 42.059 0.035 0.000 0.896 7 L HN 0.268 nan 8.230 nan 0.000 0.433 8 S N -1.116 114.576 115.700 -0.013 0.000 2.461 8 S HA -0.065 4.405 4.470 -0.000 0.000 0.228 8 S C 1.618 176.215 174.600 -0.005 0.000 1.005 8 S CA 0.582 58.756 58.200 -0.043 0.000 0.942 8 S CB -0.365 62.773 63.200 -0.104 0.000 0.776 8 S HN 0.416 nan 8.310 nan 0.000 0.514 9 N N 2.071 120.785 118.700 0.023 0.000 2.459 9 N HA 0.037 4.776 4.740 -0.000 0.000 0.181 9 N C 0.553 176.089 175.510 0.044 0.000 1.046 9 N CA 0.611 53.684 53.050 0.039 0.000 0.904 9 N CB -0.238 38.277 38.487 0.048 0.000 0.964 9 N HN 0.510 nan 8.380 nan 0.000 0.444 10 S N 0.459 116.185 115.700 0.044 0.000 2.489 10 S HA 0.207 4.677 4.470 -0.000 0.000 0.277 10 S C 0.846 175.490 174.600 0.074 0.000 1.230 10 S CA -0.652 57.581 58.200 0.055 0.000 1.053 10 S CB 0.422 63.654 63.200 0.055 0.000 0.955 10 S HN 0.164 nan 8.310 nan 0.000 0.488 11 N N 3.169 121.918 118.700 0.082 0.000 2.573 11 N HA -0.063 4.676 4.740 -0.000 0.000 0.187 11 N C 1.066 176.680 175.510 0.173 0.000 1.107 11 N CA 0.469 53.588 53.050 0.115 0.000 0.918 11 N CB 0.076 38.615 38.487 0.086 0.000 0.966 11 N HN 0.720 nan 8.380 nan 0.000 0.448 12 E N 0.299 120.593 120.200 0.157 0.000 2.338 12 E HA -0.008 4.341 4.350 -0.000 0.000 0.197 12 E C -0.115 176.628 176.600 0.237 0.000 1.007 12 E CA 0.623 57.151 56.400 0.213 0.000 0.849 12 E CB 0.180 29.974 29.700 0.156 0.000 0.774 12 E HN 0.372 nan 8.360 nan 0.000 0.506 13 N N -0.394 118.419 118.700 0.189 0.000 2.328 13 N HA 0.184 4.923 4.740 -0.000 0.000 0.299 13 N C -1.406 174.249 175.510 0.242 0.000 1.179 13 N CA -0.491 52.648 53.050 0.150 0.000 0.793 13 N CB 1.498 40.028 38.487 0.072 0.000 1.366 13 N HN 0.044 nan 8.380 nan 0.000 0.493 14 W N 2.333 123.643 121.300 0.016 0.000 2.631 14 W HA 0.299 4.959 4.660 -0.000 0.000 0.321 14 W C -0.420 176.110 176.519 0.018 0.000 1.004 14 W CA -0.704 56.669 57.345 0.047 0.000 1.291 14 W CB 0.796 30.301 29.460 0.075 0.000 1.300 14 W HN 0.333 nan 8.180 nan 0.000 0.422 15 V N 3.918 123.860 119.914 0.047 0.000 3.578 15 V HA 0.357 4.477 4.120 -0.000 0.000 0.290 15 V C 0.164 176.302 176.094 0.073 0.000 1.376 15 V CA 0.671 62.998 62.300 0.044 0.000 1.083 15 V CB -0.390 31.427 31.823 -0.010 0.000 0.911 15 V HN 0.510 nan 8.190 nan 0.000 0.433 16 M N -2.649 116.995 119.600 0.074 0.000 2.732 16 M HA 0.718 5.198 4.480 -0.000 0.000 0.272 16 M C -3.358 173.135 176.300 0.321 0.000 1.203 16 M CA -1.590 53.789 55.300 0.132 0.000 0.841 16 M CB 1.399 33.949 32.600 -0.084 0.000 1.685 16 M HN -0.294 nan 8.290 nan 0.000 0.492 17 P HA 0.227 nan 4.420 nan 0.000 0.264 17 P C 0.748 178.284 177.300 0.394 0.000 1.193 17 P CA 1.834 65.302 63.100 0.612 0.000 0.763 17 P CB 0.516 32.690 31.700 0.790 0.000 0.810 18 G N 2.422 111.294 108.800 0.119 0.000 2.159 18 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.256 18 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.256 18 G C 0.926 175.674 174.900 -0.253 0.000 0.977 18 G CA 0.607 45.505 45.100 -0.337 0.000 0.652 18 G HN 0.704 nan 8.290 nan 0.000 0.531 19 K N -1.952 118.136 120.400 -0.520 0.000 6.211 19 K HA -0.377 3.943 4.320 -0.000 0.000 0.464 19 K C 0.781 177.038 176.600 -0.570 0.000 0.365 19 K CA 2.766 58.293 56.287 -1.267 0.000 1.948 19 K CB -1.470 30.185 32.500 -1.409 0.000 0.668 19 K HN 1.299 nan 8.250 nan 0.000 0.711 20 N N -2.597 115.936 118.700 -0.278 0.000 3.157 20 N HA 0.238 4.978 4.740 -0.000 0.000 0.291 20 N C 0.194 175.749 175.510 0.076 0.000 1.515 20 N CA -0.475 52.484 53.050 -0.150 0.000 0.807 20 N CB -0.251 38.199 38.487 -0.061 0.000 1.672 20 N HN 0.067 nan 8.380 nan 0.000 0.592 21 Y N -1.015 119.398 120.300 0.189 0.000 2.457 21 Y HA 0.034 4.584 4.550 -0.000 0.000 0.292 21 Y C 0.551 176.633 175.900 0.304 0.000 1.125 21 Y CA 0.474 58.769 58.100 0.326 0.000 1.254 21 Y CB 0.205 38.864 38.460 0.332 0.000 1.012 21 Y HN 0.579 nan 8.280 nan 0.000 0.555 22 D N -0.738 119.874 120.400 0.353 0.000 2.350 22 D HA -0.120 4.519 4.640 -0.000 0.000 0.216 22 D C 0.921 177.383 176.300 0.270 0.000 0.968 22 D CA 0.938 55.094 54.000 0.260 0.000 0.894 22 D CB 0.003 40.917 40.800 0.190 0.000 0.909 22 D HN -0.042 nan 8.370 nan 0.000 0.520 23 S N -0.008 115.872 115.700 0.301 0.000 3.682 23 S HA -0.205 4.264 4.470 -0.000 0.000 0.354 23 S C 0.865 175.682 174.600 0.363 0.000 1.034 23 S CA 0.653 59.059 58.200 0.342 0.000 1.084 23 S CB -1.476 61.984 63.200 0.434 0.000 0.903 23 S HN 0.581 nan 8.310 nan 0.000 0.470 24 N N 1.203 120.061 118.700 0.263 0.000 2.299 24 N HA 0.100 4.840 4.740 -0.000 0.000 0.187 24 N C 0.255 175.953 175.510 0.315 0.000 1.099 24 N CA 0.649 53.893 53.050 0.322 0.000 0.867 24 N CB -0.827 37.857 38.487 0.329 0.000 0.974 24 N HN 0.680 nan 8.380 nan 0.000 0.477 25 N N -0.852 117.949 118.700 0.168 0.000 2.721 25 N HA -0.286 4.454 4.740 -0.000 0.000 0.249 25 N C -1.549 174.175 175.510 0.356 0.000 1.072 25 N CA 0.319 53.510 53.050 0.235 0.000 0.710 25 N CB -1.177 37.461 38.487 0.252 0.000 0.993 25 N HN 0.541 nan 8.380 nan 0.000 0.547 26 Y N 0.407 120.790 120.300 0.138 0.000 2.341 26 Y HA 0.473 5.023 4.550 -0.000 0.000 0.338 26 Y C -0.412 175.563 175.900 0.125 0.000 0.965 26 Y CA -0.633 57.558 58.100 0.152 0.000 1.108 26 Y CB 1.515 40.042 38.460 0.113 0.000 1.180 26 Y HN -0.047 nan 8.280 nan 0.000 0.458 27 S N 3.016 118.422 115.700 -0.491 0.000 2.489 27 S HA 0.201 4.671 4.470 -0.000 0.000 0.291 27 S C 0.913 175.122 174.600 -0.651 0.000 1.151 27 S CA -0.052 57.923 58.200 -0.374 0.000 1.082 27 S CB 0.889 64.044 63.200 -0.076 0.000 1.019 27 S HN 0.890 nan 8.310 nan 0.000 0.492 28 T N 1.520 115.913 114.554 -0.269 0.000 3.035 28 T HA 0.053 4.403 4.350 -0.000 0.000 0.268 28 T C 0.874 175.529 174.700 -0.075 0.000 1.109 28 T CA 0.189 62.227 62.100 -0.105 0.000 1.119 28 T CB -0.295 68.619 68.868 0.077 0.000 0.900 28 T HN 0.432 nan 8.240 nan 0.000 0.503 29 S N 2.462 118.118 115.700 -0.074 0.000 2.642 29 S HA 0.136 4.606 4.470 -0.000 0.000 0.308 29 S C 1.431 176.001 174.600 -0.050 0.000 1.255 29 S CA 0.622 58.793 58.200 -0.048 0.000 1.057 29 S CB 0.449 63.625 63.200 -0.040 0.000 0.785 29 S HN 0.797 nan 8.310 nan 0.000 0.500 30 T N 0.077 114.610 114.554 -0.036 0.000 3.004 30 T HA 0.166 4.516 4.350 -0.000 0.000 0.266 30 T C 1.332 176.008 174.700 -0.040 0.000 0.986 30 T CA -0.268 61.815 62.100 -0.030 0.000 0.902 30 T CB -0.026 68.834 68.868 -0.015 0.000 1.118 30 T HN 0.538 nan 8.240 nan 0.000 0.522 31 Q N 0.679 120.447 119.800 -0.053 0.000 2.197 31 Q HA 0.010 4.350 4.340 -0.000 0.000 0.207 31 Q C -0.032 175.921 176.000 -0.079 0.000 0.984 31 Q CA 1.039 56.800 55.803 -0.071 0.000 0.869 31 Q CB -0.111 28.569 28.738 -0.096 0.000 0.906 31 Q HN 0.622 nan 8.270 nan 0.000 0.426 32 I N 1.657 122.184 120.570 -0.072 0.000 2.362 32 I HA 0.228 4.398 4.170 -0.000 0.000 0.289 32 I C -0.827 175.266 176.117 -0.041 0.000 0.994 32 I CA -0.728 60.531 61.300 -0.069 0.000 1.158 32 I CB 1.530 39.489 38.000 -0.068 0.000 1.315 32 I HN 0.251 nan 8.210 nan 0.000 0.451 33 N N 3.291 121.955 118.700 -0.059 0.000 2.934 33 N HA 0.265 5.005 4.740 -0.000 0.000 0.253 33 N C 0.390 175.853 175.510 -0.078 0.000 1.466 33 N CA -0.997 52.018 53.050 -0.060 0.000 0.858 33 N CB 1.056 39.517 38.487 -0.043 0.000 1.459 33 N HN 0.145 nan 8.380 nan 0.000 0.532 34 V N -3.412 116.454 119.914 -0.079 0.000 2.764 34 V HA -0.180 3.940 4.120 -0.000 0.000 0.261 34 V C 0.351 176.412 176.094 -0.057 0.000 1.108 34 V CA 1.920 64.172 62.300 -0.079 0.000 1.129 34 V CB -0.782 31.001 31.823 -0.066 0.000 0.701 34 V HN 0.647 nan 8.190 nan 0.000 0.495 35 D N 0.920 121.292 120.400 -0.048 0.000 2.355 35 D HA 0.025 4.664 4.640 -0.000 0.000 0.206 35 D C 1.454 177.732 176.300 -0.036 0.000 1.010 35 D CA 1.111 55.090 54.000 -0.034 0.000 0.875 35 D CB -0.113 40.670 40.800 -0.028 0.000 0.966 35 D HN 0.788 nan 8.370 nan 0.000 0.512 36 N N -0.023 118.647 118.700 -0.051 0.000 2.235 36 N HA -0.016 4.724 4.740 -0.000 0.000 0.231 36 N C 1.088 176.548 175.510 -0.084 0.000 1.177 36 N CA -0.152 52.866 53.050 -0.054 0.000 0.874 36 N CB 0.122 38.576 38.487 -0.054 0.000 1.097 36 N HN -0.053 nan 8.380 nan 0.000 0.518 37 V N 1.490 121.343 119.914 -0.102 0.000 2.379 37 V HA -0.153 3.966 4.120 -0.000 0.000 0.245 37 V C 1.867 177.836 176.094 -0.207 0.000 1.044 37 V CA 1.617 63.797 62.300 -0.200 0.000 1.036 37 V CB -0.364 31.342 31.823 -0.195 0.000 0.664 37 V HN 0.212 nan 8.190 nan 0.000 0.453 38 K N -0.085 120.321 120.400 0.010 0.000 2.207 38 K HA -0.309 4.010 4.320 -0.000 0.000 0.208 38 K C 1.807 178.483 176.600 0.127 0.000 1.046 38 K CA 2.198 58.589 56.287 0.173 0.000 0.929 38 K CB -0.445 32.133 32.500 0.129 0.000 0.720 38 K HN 0.597 nan 8.250 nan 0.000 0.463 39 Q N 0.574 120.383 119.800 0.015 0.000 2.444 39 Q HA 0.059 4.399 4.340 -0.000 0.000 0.206 39 Q C -0.013 175.975 176.000 -0.019 0.000 0.948 39 Q CA -0.200 55.613 55.803 0.017 0.000 0.946 39 Q CB 0.076 28.812 28.738 -0.004 0.000 1.027 39 Q HN 0.069 nan 8.270 nan 0.000 0.513 40 L N 1.891 123.031 121.223 -0.137 0.000 2.534 40 L HA 0.036 4.376 4.340 -0.000 0.000 0.271 40 L C -0.534 176.389 176.870 0.089 0.000 1.178 40 L CA 0.735 55.436 54.840 -0.232 0.000 0.907 40 L CB 0.143 41.659 42.059 -0.905 0.000 1.164 40 L HN -0.121 nan 8.230 nan 0.000 0.482 41 K N 3.352 123.833 120.400 0.135 0.000 2.400 41 K HA 0.360 4.680 4.320 -0.000 0.000 0.246 41 K C -0.670 176.106 176.600 0.293 0.000 0.995 41 K CA -0.806 55.631 56.287 0.250 0.000 0.840 41 K CB 0.927 33.528 32.500 0.168 0.000 1.293 41 K HN 0.537 nan 8.250 nan 0.000 0.445 42 H N 0.429 119.567 119.070 0.112 0.000 2.928 42 H HA 0.085 4.641 4.556 -0.000 0.000 0.338 42 H C 0.132 175.400 175.328 -0.100 0.000 1.047 42 H CA 0.926 56.860 56.048 -0.190 0.000 1.435 42 H CB 1.083 30.726 29.762 -0.199 0.000 1.428 42 H HN 0.653 nan 8.280 nan 0.000 0.590 43 A N 6.257 128.742 122.820 -0.559 0.000 1.969 43 A HA 0.185 4.505 4.320 -0.000 0.000 0.205 43 A C -0.144 177.528 177.584 0.147 0.000 1.364 43 A CA 0.595 52.592 52.037 -0.066 0.000 0.756 43 A CB 0.624 19.668 19.000 0.074 0.000 0.988 43 A HN 0.833 nan 8.150 nan 0.000 0.490 44 W N -1.755 119.311 121.300 -0.389 0.000 2.986 44 W HA 0.574 5.234 4.660 -0.000 0.000 0.345 44 W C -1.145 175.268 176.519 -0.176 0.000 1.191 44 W CA -0.153 57.123 57.345 -0.115 0.000 1.170 44 W CB 0.047 29.512 29.460 0.007 0.000 1.438 44 W HN 0.462 nan 8.180 nan 0.000 0.567 45 S N 0.515 116.361 115.700 0.244 0.000 2.732 45 S HA 0.933 5.403 4.470 -0.000 0.000 0.293 45 S C -1.651 173.164 174.600 0.358 0.000 1.159 45 S CA -0.834 57.406 58.200 0.065 0.000 0.847 45 S CB 3.192 66.442 63.200 0.084 0.000 1.169 45 S HN 0.906 nan 8.310 nan 0.000 0.501 46 F N 1.426 121.369 119.950 -0.012 0.000 2.623 46 F HA 0.545 5.072 4.527 -0.000 0.000 0.323 46 F C -0.765 174.953 175.800 -0.135 0.000 1.158 46 F CA -0.294 57.694 58.000 -0.020 0.000 1.030 46 F CB 1.529 40.546 39.000 0.029 0.000 1.280 46 F HN 0.930 nan 8.300 nan 0.000 0.474 47 S N 2.086 117.303 115.700 -0.805 0.000 2.565 47 S HA 0.371 4.841 4.470 -0.000 0.000 0.290 47 S C 0.662 174.561 174.600 -1.167 0.000 1.150 47 S CA 0.146 57.916 58.200 -0.717 0.000 1.058 47 S CB 1.553 64.496 63.200 -0.428 0.000 1.032 47 S HN 0.846 nan 8.310 nan 0.000 0.510 48 T N -1.773 112.394 114.554 -0.646 0.000 3.067 48 T HA 0.325 4.675 4.350 -0.000 0.000 0.261 48 T C 1.558 176.143 174.700 -0.191 0.000 1.110 48 T CA 0.546 62.392 62.100 -0.424 0.000 1.113 48 T CB -0.887 68.121 68.868 0.234 0.000 0.917 48 T HN 2.023 nan 8.240 nan 0.000 0.499 49 G N 1.037 109.713 108.800 -0.206 0.000 2.143 49 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.248 49 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.248 49 G C -0.264 174.667 174.900 0.052 0.000 0.991 49 G CA 0.205 45.264 45.100 -0.069 0.000 0.689 49 G HN 0.623 nan 8.290 nan 0.000 0.522 50 E N -0.886 119.393 120.200 0.131 0.000 2.336 50 E HA 0.760 5.109 4.350 -0.000 0.000 0.267 50 E C 0.648 177.409 176.600 0.268 0.000 0.906 50 E CA -0.717 55.805 56.400 0.203 0.000 0.781 50 E CB 1.940 31.780 29.700 0.233 0.000 1.261 50 E HN 0.219 nan 8.360 nan 0.000 0.436 51 L N 0.310 121.698 121.223 0.276 0.000 2.793 51 L HA 0.511 4.850 4.340 -0.000 0.000 0.242 51 L C 0.297 177.405 176.870 0.396 0.000 1.315 51 L CA -0.774 54.212 54.840 0.244 0.000 1.263 51 L CB 0.349 42.468 42.059 0.100 0.000 2.076 51 L HN 0.552 nan 8.230 nan 0.000 0.575 52 H N -1.440 117.673 119.070 0.073 0.000 4.746 52 H HA -0.133 4.423 4.556 -0.000 0.000 0.248 52 H C -0.097 175.328 175.328 0.161 0.000 0.567 52 H CA 0.449 56.524 56.048 0.046 0.000 0.788 52 H CB -0.746 29.034 29.762 0.030 0.000 0.953 52 H HN 0.808 nan 8.280 nan 0.000 0.306 53 G N 0.809 109.758 108.800 0.248 0.000 2.398 53 G HA2 0.217 4.176 3.960 -0.000 0.000 0.246 53 G HA3 0.217 4.176 3.960 -0.000 0.000 0.246 53 G C -0.263 174.775 174.900 0.231 0.000 1.289 53 G CA -0.187 45.057 45.100 0.241 0.000 0.869 53 G HN 0.517 nan 8.290 nan 0.000 0.543 54 H N 2.396 121.555 119.070 0.148 0.000 2.683 54 H HA 0.202 4.758 4.556 -0.000 0.000 0.270 54 H C 0.102 175.541 175.328 0.184 0.000 1.201 54 H CA -0.213 55.911 56.048 0.128 0.000 1.277 54 H CB 1.107 30.901 29.762 0.054 0.000 1.400 54 H HN 0.619 nan 8.280 nan 0.000 0.504 55 E N 1.108 121.505 120.200 0.329 0.000 2.561 55 E HA 0.437 4.787 4.350 -0.000 0.000 0.254 55 E C 0.704 177.606 176.600 0.502 0.000 1.213 55 E CA -0.431 56.231 56.400 0.436 0.000 0.995 55 E CB 1.246 31.235 29.700 0.481 0.000 1.233 55 E HN 0.728 nan 8.360 nan 0.000 0.556 56 G N -0.330 108.832 108.800 0.605 0.000 2.645 56 G HA2 0.034 3.994 3.960 -0.000 0.000 0.246 56 G HA3 0.034 3.994 3.960 -0.000 0.000 0.246 56 G C -0.780 174.191 174.900 0.119 0.000 1.322 56 G CA -0.371 45.093 45.100 0.607 0.000 0.898 56 G HN 0.870 nan 8.290 nan 0.000 0.573 57 A N -0.355 122.481 122.820 0.027 0.000 2.606 57 A HA 0.920 5.240 4.320 -0.000 0.000 0.293 57 A C -2.694 174.901 177.584 0.017 0.000 1.082 57 A CA -0.132 51.733 52.037 -0.285 0.000 0.685 57 A CB 1.833 20.195 19.000 -1.063 0.000 1.284 57 A HN 1.033 nan 8.150 nan 0.000 0.408 58 P HA 0.508 nan 4.420 nan 0.000 0.274 58 P C -0.775 176.523 177.300 -0.003 0.000 1.256 58 P CA -0.190 62.933 63.100 0.039 0.000 0.795 58 P CB 0.523 32.184 31.700 -0.064 0.000 1.038 59 L N -0.043 121.249 121.223 0.116 0.000 2.344 59 L HA 0.554 4.894 4.340 -0.000 0.000 0.272 59 L C -0.087 176.797 176.870 0.023 0.000 1.035 59 L CA -1.173 53.767 54.840 0.168 0.000 0.807 59 L CB 1.577 43.780 42.059 0.240 0.000 1.237 59 L HN 0.052 nan 8.230 nan 0.000 0.442 60 V N 3.501 123.415 119.914 -0.001 0.000 2.483 60 V HA 0.405 4.525 4.120 -0.000 0.000 0.297 60 V C -0.280 175.786 176.094 -0.047 0.000 1.027 60 V CA -0.393 61.819 62.300 -0.146 0.000 0.855 60 V CB 2.120 33.710 31.823 -0.387 0.000 0.995 60 V HN 0.420 nan 8.190 nan 0.000 0.424 61 I N 4.630 125.150 120.570 -0.083 0.000 2.428 61 I HA 0.588 4.758 4.170 -0.000 0.000 0.279 61 I C 1.051 177.131 176.117 -0.062 0.000 1.040 61 I CA 0.322 61.559 61.300 -0.106 0.000 1.171 61 I CB 0.181 38.032 38.000 -0.247 0.000 1.312 61 I HN 0.858 nan 8.210 nan 0.000 0.470 62 G N 6.952 115.749 108.800 -0.006 0.000 2.565 62 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.295 62 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.295 62 G C 0.453 175.374 174.900 0.035 0.000 1.165 62 G CA 0.447 45.572 45.100 0.041 0.000 0.977 62 G HN 0.481 nan 8.290 nan 0.000 0.546 63 D N 0.857 121.262 120.400 0.008 0.000 2.328 63 D HA 0.371 5.011 4.640 -0.000 0.000 0.226 63 D C 0.496 176.656 176.300 -0.233 0.000 1.066 63 D CA 0.746 54.716 54.000 -0.049 0.000 0.861 63 D CB 0.453 41.269 40.800 0.026 0.000 0.912 63 D HN 0.401 nan 8.370 nan 0.000 0.521 64 V N 1.345 121.087 119.914 -0.286 0.000 2.638 64 V HA 0.411 4.531 4.120 -0.000 0.000 0.306 64 V C -0.294 175.424 176.094 -0.626 0.000 1.052 64 V CA -0.874 61.138 62.300 -0.479 0.000 0.885 64 V CB 2.542 34.082 31.823 -0.472 0.000 0.999 64 V HN -0.043 nan 8.190 nan 0.000 0.424 65 M N 4.699 123.879 119.600 -0.701 0.000 2.393 65 M HA 0.684 5.164 4.480 -0.000 0.000 0.316 65 M C -2.254 173.670 176.300 -0.626 0.000 1.087 65 M CA -0.471 54.497 55.300 -0.554 0.000 0.937 65 M CB 2.156 34.508 32.600 -0.414 0.000 1.668 65 M HN 0.648 nan 8.290 nan 0.000 0.438 66 Y N 3.621 123.806 120.300 -0.191 0.000 2.328 66 Y HA 0.604 5.154 4.550 -0.000 0.000 0.333 66 Y C -0.472 175.417 175.900 -0.019 0.000 0.958 66 Y CA -0.720 57.295 58.100 -0.142 0.000 1.167 66 Y CB 1.917 40.333 38.460 -0.073 0.000 1.151 66 Y HN 0.498 nan 8.280 nan 0.000 0.470 67 V N 4.989 125.007 119.914 0.173 0.000 2.680 67 V HA 0.653 4.772 4.120 -0.000 0.000 0.309 67 V C -1.044 175.315 176.094 0.442 0.000 1.052 67 V CA -0.323 62.143 62.300 0.277 0.000 0.908 67 V CB 1.500 33.416 31.823 0.154 0.000 1.001 67 V HN 0.886 nan 8.190 nan 0.000 0.431 68 H N 3.288 122.538 119.070 0.299 0.000 2.731 68 H HA 0.810 5.366 4.556 -0.000 0.000 0.368 68 H C -0.528 174.983 175.328 0.306 0.000 1.168 68 H CA -0.179 56.020 56.048 0.251 0.000 1.181 68 H CB 1.748 31.617 29.762 0.179 0.000 1.743 68 H HN 0.825 nan 8.280 nan 0.000 0.547 69 S N 1.154 116.950 115.700 0.160 0.000 2.739 69 S HA 0.473 4.943 4.470 -0.000 0.000 0.306 69 S C 0.287 174.825 174.600 -0.104 0.000 1.115 69 S CA -0.276 57.931 58.200 0.011 0.000 0.985 69 S CB 1.148 64.482 63.200 0.224 0.000 1.133 69 S HN 0.961 nan 8.310 nan 0.000 0.541 70 S N 0.310 115.791 115.700 -0.365 0.000 2.632 70 S HA 0.322 4.792 4.470 -0.000 0.000 0.254 70 S C 0.040 174.658 174.600 0.030 0.000 1.291 70 S CA -0.674 57.456 58.200 -0.116 0.000 0.974 70 S CB -0.651 62.463 63.200 -0.144 0.000 1.016 70 S HN 0.745 nan 8.310 nan 0.000 0.579 71 F N 2.992 122.917 119.950 -0.041 0.000 2.629 71 F HA 0.230 4.756 4.527 -0.000 0.000 0.377 71 F C -1.461 174.321 175.800 -0.029 0.000 1.101 71 F CA -1.525 56.458 58.000 -0.029 0.000 1.301 71 F CB 0.548 39.515 39.000 -0.056 0.000 1.062 71 F HN 0.362 nan 8.300 nan 0.000 0.583 72 P HA 0.095 nan 4.420 nan 0.000 0.236 72 P C -1.209 175.833 177.300 -0.429 0.000 1.709 72 P CA 0.049 62.479 63.100 -1.117 0.000 0.942 72 P CB -0.439 30.650 31.700 -1.018 0.000 1.615 73 N N -0.396 118.195 118.700 -0.181 0.000 2.746 73 N HA -0.137 4.602 4.740 -0.000 0.000 0.250 73 N C -0.537 174.942 175.510 -0.052 0.000 1.055 73 N CA 0.398 53.428 53.050 -0.033 0.000 0.699 73 N CB -1.145 37.359 38.487 0.029 0.000 0.919 73 N HN 0.356 nan 8.380 nan 0.000 0.548 74 K N 0.535 120.858 120.400 -0.127 0.000 2.202 74 K HA 0.353 4.672 4.320 -0.000 0.000 0.264 74 K C 0.222 176.619 176.600 -0.339 0.000 1.010 74 K CA 0.126 56.228 56.287 -0.309 0.000 0.940 74 K CB 0.781 32.965 32.500 -0.527 0.000 0.983 74 K HN 0.036 nan 8.250 nan 0.000 0.475 75 T N 2.210 116.573 114.554 -0.319 0.000 2.856 75 T HA 0.548 4.897 4.350 -0.000 0.000 0.283 75 T C -0.920 173.505 174.700 -0.457 0.000 1.008 75 T CA -0.646 61.347 62.100 -0.179 0.000 0.997 75 T CB 0.414 69.394 68.868 0.187 0.000 0.992 75 T HN 0.247 nan 8.240 nan 0.000 0.454 76 F N 0.935 120.866 119.950 -0.033 0.000 2.540 76 F HA 0.665 5.192 4.527 -0.000 0.000 0.317 76 F C 0.189 175.631 175.800 -0.595 0.000 1.104 76 F CA -1.278 56.565 58.000 -0.262 0.000 0.913 76 F CB 1.537 40.445 39.000 -0.153 0.000 1.170 76 F HN 0.626 nan 8.300 nan 0.000 0.450 77 A N 4.224 126.531 122.820 -0.854 0.000 2.280 77 A HA 0.701 5.021 4.320 -0.000 0.000 0.320 77 A C -1.028 176.128 177.584 -0.712 0.000 1.366 77 A CA -0.432 50.959 52.037 -1.077 0.000 0.938 77 A CB -0.088 17.817 19.000 -1.826 0.000 1.157 77 A HN 0.568 nan 8.150 nan 0.000 0.536 78 L N 1.750 122.587 121.223 -0.643 0.000 2.343 78 L HA 0.391 4.731 4.340 -0.000 0.000 0.275 78 L C 0.206 176.778 176.870 -0.497 0.000 1.056 78 L CA -0.341 54.167 54.840 -0.553 0.000 0.804 78 L CB 1.341 43.055 42.059 -0.575 0.000 1.203 78 L HN 0.694 nan 8.230 nan 0.000 0.440 79 D N 1.968 122.128 120.400 -0.400 0.000 2.339 79 D HA 0.135 4.774 4.640 -0.000 0.000 0.241 79 D C 1.115 177.165 176.300 -0.416 0.000 1.183 79 D CA -0.012 53.793 54.000 -0.324 0.000 0.859 79 D CB 0.666 41.380 40.800 -0.143 0.000 1.067 79 D HN 0.432 nan 8.370 nan 0.000 0.484 80 L N 3.376 124.314 121.223 -0.476 0.000 2.261 80 L HA -0.170 4.169 4.340 -0.000 0.000 0.216 80 L C 1.636 178.177 176.870 -0.548 0.000 1.114 80 L CA 0.637 55.081 54.840 -0.659 0.000 0.777 80 L CB -0.255 41.241 42.059 -0.939 0.000 0.910 80 L HN 0.438 nan 8.230 nan 0.000 0.440 81 N N -0.781 117.742 118.700 -0.295 0.000 2.409 81 N HA -0.086 4.654 4.740 -0.000 0.000 0.179 81 N C 0.385 175.710 175.510 -0.309 0.000 1.032 81 N CA 0.825 53.787 53.050 -0.147 0.000 0.898 81 N CB 0.172 38.630 38.487 -0.048 0.000 0.971 81 N HN 0.242 nan 8.380 nan 0.000 0.441 82 D N -0.641 119.541 120.400 -0.363 0.000 3.036 82 D HA 0.098 4.738 4.640 -0.000 0.000 0.244 82 D C -2.242 173.890 176.300 -0.280 0.000 1.337 82 D CA -1.091 52.703 54.000 -0.343 0.000 0.829 82 D CB 1.004 41.728 40.800 -0.127 0.000 1.478 82 D HN -0.072 nan 8.370 nan 0.000 0.570 83 P HA -0.006 nan 4.420 nan 0.000 0.225 83 P C 1.324 178.393 177.300 -0.386 0.000 1.148 83 P CA 0.628 63.272 63.100 -0.759 0.000 0.779 83 P CB 0.182 30.735 31.700 -1.912 0.000 0.780 84 G N -1.422 107.328 108.800 -0.083 0.000 2.848 84 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.208 84 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.208 84 G C 0.475 175.411 174.900 0.061 0.000 1.152 84 G CA 0.059 45.178 45.100 0.032 0.000 0.789 84 G HN 0.372 nan 8.290 nan 0.000 0.531 85 H N 0.082 119.100 119.070 -0.086 0.000 2.519 85 H HA 0.418 4.974 4.556 -0.000 0.000 0.316 85 H C -0.826 174.435 175.328 -0.112 0.000 1.065 85 H CA -0.765 55.243 56.048 -0.066 0.000 1.264 85 H CB 0.977 30.706 29.762 -0.055 0.000 1.413 85 H HN -0.081 nan 8.280 nan 0.000 0.465 86 I N 7.519 127.805 120.570 -0.473 0.000 2.306 86 I HA -0.041 4.129 4.170 -0.000 0.000 0.288 86 I C 1.351 177.207 176.117 -0.434 0.000 1.036 86 I CA -0.280 60.801 61.300 -0.365 0.000 1.221 86 I CB 1.244 39.182 38.000 -0.103 0.000 1.385 86 I HN 0.627 nan 8.210 nan 0.000 0.472 87 L N 7.081 128.052 121.223 -0.420 0.000 2.079 87 L HA -0.081 4.259 4.340 -0.000 0.000 0.210 87 L C 0.407 177.338 176.870 0.101 0.000 1.081 87 L CA 1.422 56.146 54.840 -0.194 0.000 0.752 87 L CB -0.232 41.739 42.059 -0.145 0.000 0.896 87 L HN 0.641 nan 8.230 nan 0.000 0.433 88 W N -2.378 118.895 121.300 -0.044 0.000 3.298 88 W HA 0.465 5.125 4.660 -0.000 0.000 0.302 88 W C -1.588 174.978 176.519 0.078 0.000 1.255 88 W CA -0.904 56.456 57.345 0.024 0.000 1.196 88 W CB 0.846 30.331 29.460 0.042 0.000 1.364 88 W HN -0.312 nan 8.180 nan 0.000 0.566 89 Q N 2.113 122.217 119.800 0.507 0.000 2.356 89 Q HA 0.284 4.624 4.340 -0.000 0.000 0.270 89 Q C -1.370 174.892 176.000 0.436 0.000 1.058 89 Q CA -0.550 55.477 55.803 0.373 0.000 0.802 89 Q CB 2.654 31.540 28.738 0.247 0.000 1.303 89 Q HN 0.542 nan 8.270 nan 0.000 0.444 90 H N 1.796 121.028 119.070 0.270 0.000 2.466 90 H HA 0.394 4.950 4.556 -0.000 0.000 0.338 90 H C -1.615 173.697 175.328 -0.026 0.000 1.091 90 H CA -0.163 55.962 56.048 0.129 0.000 1.207 90 H CB 1.926 31.790 29.762 0.170 0.000 1.466 90 H HN 0.542 nan 8.280 nan 0.000 0.493 91 S N 6.909 122.198 115.700 -0.685 0.000 2.259 91 S HA 0.309 4.779 4.470 -0.000 0.000 0.181 91 S C -2.717 171.602 174.600 -0.469 0.000 1.589 91 S CA -1.153 56.780 58.200 -0.446 0.000 1.234 91 S CB 0.321 63.391 63.200 -0.216 0.000 1.119 91 S HN 0.564 nan 8.310 nan 0.000 0.458 92 P HA 0.208 nan 4.420 nan 0.000 0.267 92 P C -0.877 176.300 177.300 -0.205 0.000 1.200 92 P CA -0.255 62.669 63.100 -0.294 0.000 0.772 92 P CB 0.420 32.034 31.700 -0.143 0.000 0.855 93 K N 3.277 123.597 120.400 -0.134 0.000 2.293 93 K HA 0.340 4.660 4.320 -0.000 0.000 0.267 93 K C 0.049 176.628 176.600 -0.035 0.000 1.010 93 K CA -0.212 56.022 56.287 -0.088 0.000 0.875 93 K CB 1.180 33.644 32.500 -0.060 0.000 1.106 93 K HN 0.491 nan 8.250 nan 0.000 0.450 94 Q N 0.545 120.346 119.800 0.000 0.000 2.484 94 Q HA 0.305 4.644 4.340 -0.000 0.000 0.285 94 Q C -0.915 175.206 176.000 0.202 0.000 1.097 94 Q CA -1.137 54.742 55.803 0.127 0.000 0.802 94 Q CB 1.951 30.825 28.738 0.227 0.000 1.444 94 Q HN 0.326 nan 8.270 nan 0.000 0.429 95 D N 1.727 122.253 120.400 0.210 0.000 2.316 95 D HA 0.123 4.762 4.640 -0.000 0.000 0.245 95 D C -1.588 174.820 176.300 0.180 0.000 1.171 95 D CA -2.170 51.924 54.000 0.156 0.000 0.856 95 D CB 1.152 42.014 40.800 0.103 0.000 1.090 95 D HN 0.161 nan 8.370 nan 0.000 0.476 96 P HA -0.176 nan 4.420 nan 0.000 0.219 96 P C 0.917 178.202 177.300 -0.026 0.000 1.144 96 P CA 0.920 64.098 63.100 0.130 0.000 0.806 96 P CB 0.091 31.859 31.700 0.114 0.000 0.771 97 A N 0.276 123.092 122.820 -0.008 0.000 2.121 97 A HA 0.052 4.371 4.320 -0.000 0.000 0.218 97 A C 2.397 179.925 177.584 -0.094 0.000 1.154 97 A CA 1.368 53.379 52.037 -0.044 0.000 0.679 97 A CB -1.225 17.764 19.000 -0.018 0.000 0.795 97 A HN 0.212 nan 8.150 nan 0.000 0.458 98 A N 0.542 123.299 122.820 -0.106 0.000 1.958 98 A HA -0.264 4.055 4.320 -0.000 0.000 0.221 98 A C 2.153 179.563 177.584 -0.289 0.000 1.178 98 A CA 1.833 53.772 52.037 -0.162 0.000 0.642 98 A CB -0.502 18.440 19.000 -0.096 0.000 0.816 98 A HN 0.593 nan 8.150 nan 0.000 0.453 99 R N 0.117 120.360 120.500 -0.429 0.000 2.237 99 R HA -0.063 4.276 4.340 -0.000 0.000 0.219 99 R C 1.754 177.958 176.300 -0.161 0.000 1.080 99 R CA 1.285 57.160 56.100 -0.376 0.000 0.995 99 R CB -0.217 29.859 30.300 -0.373 0.000 0.875 99 R HN 0.697 nan 8.270 nan 0.000 0.462 100 S N -0.788 114.847 115.700 -0.109 0.000 2.557 100 S HA 0.059 4.529 4.470 -0.000 0.000 0.223 100 S C 1.234 175.858 174.600 0.040 0.000 0.969 100 S CA -0.177 58.006 58.200 -0.028 0.000 0.927 100 S CB 0.650 63.838 63.200 -0.021 0.000 0.806 100 S HN 0.150 nan 8.310 nan 0.000 0.489 101 V N -2.483 117.399 119.914 -0.052 0.000 3.380 101 V HA 0.704 4.824 4.120 -0.000 0.000 0.307 101 V C 0.557 176.574 176.094 -0.129 0.000 1.434 101 V CA -0.318 61.879 62.300 -0.172 0.000 1.075 101 V CB -0.609 31.077 31.823 -0.229 0.000 0.954 101 V HN 0.504 nan 8.190 nan 0.000 0.444 102 A N 0.422 123.235 122.820 -0.013 0.000 2.289 102 A HA 0.502 4.821 4.320 -0.000 0.000 0.298 102 A C 1.225 178.863 177.584 0.088 0.000 1.208 102 A CA 0.234 52.263 52.037 -0.013 0.000 0.845 102 A CB 0.613 19.592 19.000 -0.033 0.000 1.125 102 A HN 0.903 nan 8.150 nan 0.000 0.517 103 C N -0.401 118.935 119.300 0.059 0.000 2.468 103 C HA 0.167 4.627 4.460 -0.000 0.000 0.277 103 C C 1.002 175.894 174.990 -0.162 0.000 1.400 103 C CA 0.410 59.451 59.018 0.039 0.000 1.770 103 C CB -1.786 25.944 27.740 -0.016 0.000 1.905 103 C HN 0.718 nan 8.230 nan 0.000 0.519 104 C N 1.374 120.604 119.300 -0.118 0.000 3.482 104 C HA 0.487 4.947 4.460 -0.000 0.000 0.299 104 C C -0.529 174.515 174.990 0.089 0.000 2.619 104 C CA -0.208 58.748 59.018 -0.103 0.000 1.533 104 C CB -2.108 25.479 27.740 -0.255 0.000 3.079 104 C HN 0.796 nan 8.230 nan 0.000 0.433 105 D N 0.132 120.644 120.400 0.186 0.000 10.588 105 D HA -0.133 4.506 4.640 -0.000 0.000 0.345 105 D C -0.481 175.952 176.300 0.221 0.000 3.137 105 D CA 0.157 54.368 54.000 0.351 0.000 2.636 105 D CB -0.374 40.620 40.800 0.323 0.000 1.253 105 D HN 0.299 nan 8.370 nan 0.000 0.949 106 L N 1.042 122.400 121.223 0.225 0.000 2.934 106 L HA 0.284 4.624 4.340 -0.000 0.000 0.233 106 L C 0.711 177.672 176.870 0.152 0.000 1.358 106 L CA -0.674 54.237 54.840 0.117 0.000 1.233 106 L CB -0.624 41.430 42.059 -0.008 0.000 1.594 106 L HN 0.319 nan 8.230 nan 0.000 0.439 107 V N -2.773 117.239 119.914 0.164 0.000 2.904 107 V HA 0.521 4.641 4.120 -0.000 0.000 0.305 107 V C -0.112 176.100 176.094 0.197 0.000 1.067 107 V CA -0.567 61.845 62.300 0.186 0.000 1.044 107 V CB 1.923 33.888 31.823 0.237 0.000 1.050 107 V HN 0.455 nan 8.190 nan 0.000 0.475 108 N N 1.932 120.778 118.700 0.242 0.000 2.264 108 N HA 0.449 5.189 4.740 -0.000 0.000 0.288 108 N C -0.197 175.539 175.510 0.377 0.000 1.094 108 N CA -0.710 52.504 53.050 0.273 0.000 0.817 108 N CB 2.731 41.383 38.487 0.275 0.000 1.604 108 N HN 0.754 nan 8.380 nan 0.000 0.473 109 R N 1.269 121.933 120.500 0.273 0.000 2.432 109 R HA 0.336 4.675 4.340 -0.000 0.000 0.260 109 R C 0.630 177.091 176.300 0.268 0.000 0.935 109 R CA 0.033 56.354 56.100 0.367 0.000 1.080 109 R CB 0.455 30.888 30.300 0.222 0.000 1.155 109 R HN 0.766 nan 8.270 nan 0.000 0.531 110 G N 0.369 109.040 108.800 -0.215 0.000 2.316 110 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.349 110 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.349 110 G C -1.309 173.483 174.900 -0.180 0.000 1.274 110 G CA -1.079 43.630 45.100 -0.650 0.000 1.018 110 G HN -0.003 nan 8.290 nan 0.000 0.486 111 L N 0.050 121.249 121.223 -0.041 0.000 2.331 111 L HA 0.916 5.255 4.340 -0.000 0.000 0.268 111 L C 0.788 177.751 176.870 0.155 0.000 1.015 111 L CA -0.517 54.364 54.840 0.067 0.000 0.807 111 L CB 1.777 43.880 42.059 0.073 0.000 1.293 111 L HN 1.355 nan 8.230 nan 0.000 0.451 112 A N 0.147 123.045 122.820 0.130 0.000 2.532 112 A HA 0.753 5.073 4.320 -0.000 0.000 0.290 112 A C -2.047 175.627 177.584 0.150 0.000 1.143 112 A CA -0.399 51.730 52.037 0.153 0.000 0.728 112 A CB 1.714 20.802 19.000 0.145 0.000 1.317 112 A HN 0.624 nan 8.150 nan 0.000 0.414 113 Y N -1.010 119.290 120.300 -0.001 0.000 2.524 113 Y HA 0.592 5.142 4.550 -0.000 0.000 0.347 113 Y C -1.799 174.148 175.900 0.078 0.000 1.005 113 Y CA -0.921 57.169 58.100 -0.017 0.000 1.025 113 Y CB 1.776 40.194 38.460 -0.070 0.000 1.275 113 Y HN 0.870 nan 8.280 nan 0.000 0.460 114 W N 9.297 130.140 121.300 -0.762 0.000 2.554 114 W HA 0.617 5.277 4.660 -0.000 0.000 0.324 114 W C -3.070 172.905 176.519 -0.908 0.000 1.018 114 W CA -2.877 54.117 57.345 -0.585 0.000 1.243 114 W CB 1.683 30.965 29.460 -0.297 0.000 1.345 114 W HN 0.359 nan 8.180 nan 0.000 0.441 115 P HA 0.210 nan 4.420 nan 0.000 0.276 115 P C 0.380 176.936 177.300 -1.240 0.000 1.264 115 P CA 0.349 62.923 63.100 -0.876 0.000 0.769 115 P CB 0.974 32.420 31.700 -0.424 0.000 0.840 116 G N 3.034 111.326 108.800 -0.847 0.000 2.509 116 G HA2 0.578 4.538 3.960 -0.000 0.000 0.269 116 G HA3 0.578 4.538 3.960 -0.000 0.000 0.269 116 G C -0.516 174.170 174.900 -0.358 0.000 1.416 116 G CA -0.298 44.361 45.100 -0.735 0.000 1.052 116 G HN 0.540 nan 8.290 nan 0.000 0.542 117 D N -3.740 116.583 120.400 -0.128 0.000 3.103 117 D HA 0.134 4.774 4.640 -0.000 0.000 0.337 117 D C 0.409 176.718 176.300 0.015 0.000 1.356 117 D CA 0.056 54.028 54.000 -0.047 0.000 0.951 117 D CB -0.113 40.672 40.800 -0.023 0.000 1.438 117 D HN 0.354 nan 8.370 nan 0.000 0.562 118 D N -0.459 119.959 120.400 0.031 0.000 2.347 118 D HA -0.045 4.594 4.640 -0.000 0.000 0.215 118 D C 1.004 177.343 176.300 0.064 0.000 0.976 118 D CA 0.779 54.803 54.000 0.040 0.000 0.884 118 D CB 0.075 40.895 40.800 0.032 0.000 0.915 118 D HN 0.326 nan 8.370 nan 0.000 0.526 119 K N -0.313 120.142 120.400 0.091 0.000 2.211 119 K HA 0.136 4.456 4.320 -0.000 0.000 0.201 119 K C 0.209 176.901 176.600 0.155 0.000 1.052 119 K CA 0.694 57.050 56.287 0.116 0.000 0.973 119 K CB 0.592 33.165 32.500 0.121 0.000 0.766 119 K HN 0.008 nan 8.250 nan 0.000 0.466 120 T N 2.439 117.102 114.554 0.183 0.000 2.921 120 T HA 0.312 4.662 4.350 -0.000 0.000 0.297 120 T C -2.871 171.893 174.700 0.108 0.000 1.013 120 T CA -1.821 60.386 62.100 0.180 0.000 0.990 120 T CB 2.378 71.418 68.868 0.287 0.000 1.023 120 T HN -0.157 nan 8.240 nan 0.000 0.447 121 P HA 0.292 nan 4.420 nan 0.000 0.274 121 P C -0.222 177.025 177.300 -0.088 0.000 1.246 121 P CA -0.445 62.587 63.100 -0.112 0.000 0.795 121 P CB 0.510 32.093 31.700 -0.196 0.000 1.006 122 S N 0.182 115.830 115.700 -0.087 0.000 2.568 122 S HA 0.198 4.668 4.470 -0.000 0.000 0.282 122 S C 0.245 174.767 174.600 -0.130 0.000 1.338 122 S CA -0.014 58.102 58.200 -0.140 0.000 1.045 122 S CB -0.456 62.711 63.200 -0.056 0.000 0.873 122 S HN 0.230 nan 8.310 nan 0.000 0.516 123 L N 3.472 124.591 121.223 -0.173 0.000 2.386 123 L HA 0.538 4.878 4.340 -0.000 0.000 0.271 123 L C -0.553 176.237 176.870 -0.132 0.000 0.993 123 L CA -0.766 53.969 54.840 -0.176 0.000 0.819 123 L CB 1.348 43.292 42.059 -0.191 0.000 1.294 123 L HN 0.420 nan 8.230 nan 0.000 0.414 124 I N 4.085 124.591 120.570 -0.106 0.000 2.365 124 I HA 0.340 4.510 4.170 -0.000 0.000 0.291 124 I C -0.029 176.006 176.117 -0.137 0.000 1.004 124 I CA -0.264 60.982 61.300 -0.090 0.000 1.311 124 I CB 1.658 39.597 38.000 -0.102 0.000 1.401 124 I HN 0.345 nan 8.210 nan 0.000 0.491 125 I N 6.851 127.370 120.570 -0.086 0.000 2.433 125 I HA 0.415 4.584 4.170 -0.000 0.000 0.292 125 I C 0.039 176.129 176.117 -0.045 0.000 1.001 125 I CA -0.625 60.603 61.300 -0.120 0.000 1.119 125 I CB 1.706 39.681 38.000 -0.043 0.000 1.289 125 I HN 0.589 nan 8.210 nan 0.000 0.438 126 K N 2.992 123.357 120.400 -0.059 0.000 2.495 126 K HA 0.763 5.083 4.320 -0.000 0.000 0.268 126 K C -0.863 175.764 176.600 0.045 0.000 1.008 126 K CA -0.746 55.550 56.287 0.015 0.000 0.882 126 K CB 2.212 34.726 32.500 0.023 0.000 1.443 126 K HN 0.532 nan 8.250 nan 0.000 0.447 127 T N -1.154 113.452 114.554 0.086 0.000 2.918 127 T HA 0.410 4.760 4.350 -0.000 0.000 0.286 127 T C -0.492 174.288 174.700 0.133 0.000 1.026 127 T CA -0.829 61.339 62.100 0.113 0.000 1.031 127 T CB 1.551 70.494 68.868 0.125 0.000 1.046 127 T HN 0.589 nan 8.240 nan 0.000 0.479 128 Q N 0.903 120.798 119.800 0.159 0.000 2.342 128 Q HA 0.434 4.774 4.340 -0.000 0.000 0.267 128 Q C 0.641 176.758 176.000 0.195 0.000 1.038 128 Q CA -0.987 54.928 55.803 0.186 0.000 0.832 128 Q CB 2.335 31.202 28.738 0.215 0.000 1.323 128 Q HN 0.550 nan 8.270 nan 0.000 0.448 129 L N 2.391 123.757 121.223 0.238 0.000 2.123 129 L HA -0.271 4.069 4.340 -0.000 0.000 0.217 129 L C 1.440 178.400 176.870 0.151 0.000 1.081 129 L CA 2.399 57.364 54.840 0.208 0.000 0.772 129 L CB -0.315 41.939 42.059 0.324 0.000 0.890 129 L HN 0.855 nan 8.230 nan 0.000 0.437 130 D N -1.830 118.694 120.400 0.207 0.000 2.336 130 D HA 0.136 4.775 4.640 -0.000 0.000 0.229 130 D C 1.558 177.863 176.300 0.009 0.000 1.061 130 D CA 0.757 54.842 54.000 0.142 0.000 0.875 130 D CB -0.309 40.639 40.800 0.247 0.000 0.904 130 D HN 0.450 nan 8.370 nan 0.000 0.525 131 G N -0.428 108.379 108.800 0.010 0.000 2.195 131 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.224 131 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.224 131 G C -0.040 174.770 174.900 -0.151 0.000 0.990 131 G CA -0.104 44.948 45.100 -0.081 0.000 0.639 131 G HN 0.576 nan 8.290 nan 0.000 0.514 132 H N -0.648 118.468 119.070 0.077 0.000 2.551 132 H HA 0.644 5.200 4.556 -0.000 0.000 0.358 132 H C 0.131 175.494 175.328 0.058 0.000 1.151 132 H CA 0.035 56.117 56.048 0.058 0.000 1.374 132 H CB 1.725 31.521 29.762 0.056 0.000 1.473 132 H HN 0.349 nan 8.280 nan 0.000 0.574 133 L N 2.760 124.086 121.223 0.170 0.000 2.333 133 L HA 0.520 4.860 4.340 -0.000 0.000 0.280 133 L C -1.461 175.485 176.870 0.125 0.000 1.004 133 L CA -0.515 54.404 54.840 0.132 0.000 0.820 133 L CB 1.266 43.383 42.059 0.096 0.000 1.247 133 L HN 0.431 nan 8.230 nan 0.000 0.416 134 V N 4.476 124.351 119.914 -0.065 0.000 2.588 134 V HA 0.840 4.960 4.120 -0.000 0.000 0.304 134 V C -0.037 175.698 176.094 -0.599 0.000 1.042 134 V CA -0.440 61.700 62.300 -0.267 0.000 0.877 134 V CB 1.627 33.355 31.823 -0.159 0.000 0.996 134 V HN 0.971 nan 8.190 nan 0.000 0.425 135 A N 5.998 128.156 122.820 -1.103 0.000 2.276 135 A HA 0.896 5.216 4.320 -0.000 0.000 0.316 135 A C -0.747 176.478 177.584 -0.597 0.000 1.229 135 A CA -0.410 51.029 52.037 -0.997 0.000 0.851 135 A CB 0.496 18.542 19.000 -1.592 0.000 1.165 135 A HN 0.790 nan 8.150 nan 0.000 0.513 136 L N 1.800 122.758 121.223 -0.442 0.000 2.322 136 L HA 0.440 4.780 4.340 -0.000 0.000 0.269 136 L C 0.443 177.108 176.870 -0.342 0.000 1.012 136 L CA -1.159 53.446 54.840 -0.392 0.000 0.815 136 L CB 1.247 43.053 42.059 -0.422 0.000 1.295 136 L HN 0.754 nan 8.230 nan 0.000 0.438 137 N N 1.177 119.666 118.700 -0.352 0.000 2.431 137 N HA 0.083 4.823 4.740 -0.000 0.000 0.265 137 N C 0.646 176.008 175.510 -0.246 0.000 1.184 137 N CA 0.355 53.220 53.050 -0.309 0.000 0.943 137 N CB 1.841 40.169 38.487 -0.266 0.000 1.080 137 N HN 0.799 nan 8.380 nan 0.000 0.477 138 A N 5.363 128.168 122.820 -0.025 0.000 1.978 138 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 138 A C 2.045 179.947 177.584 0.529 0.000 1.170 138 A CA 1.337 53.557 52.037 0.306 0.000 0.636 138 A CB -0.170 19.048 19.000 0.363 0.000 0.810 138 A HN 0.805 nan 8.150 nan 0.000 0.448 139 K N -1.241 119.299 120.400 0.233 0.000 2.076 139 K HA -0.073 4.246 4.320 -0.000 0.000 0.204 139 K C 2.157 178.855 176.600 0.162 0.000 1.051 139 K CA 1.713 58.150 56.287 0.250 0.000 0.949 139 K CB -0.151 32.417 32.500 0.114 0.000 0.726 139 K HN 0.719 nan 8.250 nan 0.000 0.443 140 T N -3.969 110.448 114.554 -0.229 0.000 3.023 140 T HA 0.183 4.532 4.350 -0.000 0.000 0.249 140 T C 1.488 175.532 174.700 -1.093 0.000 1.050 140 T CA 0.732 62.576 62.100 -0.426 0.000 1.088 140 T CB 0.689 69.403 68.868 -0.257 0.000 0.946 140 T HN 0.313 nan 8.240 nan 0.000 0.480 141 G N 1.384 109.061 108.800 -1.872 0.000 2.179 141 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.260 141 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.260 141 G C -0.102 174.305 174.900 -0.822 0.000 0.977 141 G CA 0.370 44.197 45.100 -2.121 0.000 0.641 141 G HN 0.901 nan 8.290 nan 0.000 0.533 142 E N 1.157 121.046 120.200 -0.518 0.000 2.349 142 E HA 0.319 4.668 4.350 -0.000 0.000 0.265 142 E C 0.146 176.613 176.600 -0.222 0.000 1.064 142 E CA -0.506 55.742 56.400 -0.254 0.000 0.886 142 E CB 0.381 29.988 29.700 -0.156 0.000 1.036 142 E HN 0.477 nan 8.360 nan 0.000 0.413 143 E N 2.770 122.883 120.200 -0.146 0.000 2.384 143 E HA -0.012 4.337 4.350 -0.000 0.000 0.266 143 E C 0.017 176.590 176.600 -0.044 0.000 1.012 143 E CA -0.033 56.270 56.400 -0.161 0.000 0.901 143 E CB 0.580 30.212 29.700 -0.114 0.000 0.967 143 E HN 0.490 nan 8.360 nan 0.000 0.435 144 F N 3.284 123.056 119.950 -0.297 0.000 2.222 144 F HA 0.127 4.654 4.527 -0.000 0.000 0.285 144 F C 0.343 176.094 175.800 -0.083 0.000 1.068 144 F CA 0.545 58.411 58.000 -0.224 0.000 1.265 144 F CB 0.520 39.319 39.000 -0.335 0.000 1.087 144 F HN 0.582 nan 8.300 nan 0.000 0.511 145 W N -0.064 121.198 121.300 -0.063 0.000 3.025 145 W HA 0.485 5.145 4.660 -0.000 0.000 0.343 145 W C -1.563 174.883 176.519 -0.122 0.000 1.246 145 W CA -1.107 56.140 57.345 -0.164 0.000 1.178 145 W CB 0.970 30.306 29.460 -0.207 0.000 1.463 145 W HN -0.190 nan 8.180 nan 0.000 0.578 146 K N 2.067 122.693 120.400 0.377 0.000 2.731 146 K HA 0.382 4.702 4.320 -0.000 0.000 0.257 146 K C -1.265 175.463 176.600 0.213 0.000 1.032 146 K CA -0.385 56.054 56.287 0.252 0.000 0.983 146 K CB 1.720 34.242 32.500 0.038 0.000 1.248 146 K HN 0.506 nan 8.250 nan 0.000 0.484 147 V N 0.147 120.172 119.914 0.184 0.000 2.716 147 V HA 0.524 4.644 4.120 -0.000 0.000 0.304 147 V C -0.182 175.947 176.094 0.057 0.000 1.053 147 V CA -0.668 61.608 62.300 -0.039 0.000 0.984 147 V CB 1.479 33.014 31.823 -0.480 0.000 1.021 147 V HN 0.720 nan 8.190 nan 0.000 0.467 148 E N 2.310 122.527 120.200 0.028 0.000 2.229 148 E HA 0.351 4.700 4.350 -0.000 0.000 0.283 148 E C -0.560 176.020 176.600 -0.033 0.000 1.030 148 E CA 0.094 56.460 56.400 -0.057 0.000 0.836 148 E CB 0.936 30.610 29.700 -0.043 0.000 1.068 148 E HN 0.837 nan 8.360 nan 0.000 0.401 149 N N 1.909 120.577 118.700 -0.053 0.000 2.595 149 N HA 0.254 4.994 4.740 -0.000 0.000 0.291 149 N C -1.462 174.099 175.510 0.085 0.000 1.706 149 N CA -0.226 52.865 53.050 0.067 0.000 0.867 149 N CB 1.187 39.763 38.487 0.148 0.000 1.414 149 N HN 0.549 nan 8.380 nan 0.000 0.492 150 G N 0.620 109.423 108.800 0.005 0.000 2.270 150 G HA2 0.196 4.155 3.960 -0.000 0.000 0.295 150 G HA3 0.196 4.155 3.960 -0.000 0.000 0.295 150 G C -2.331 172.544 174.900 -0.041 0.000 1.732 150 G CA -0.883 44.234 45.100 0.028 0.000 0.909 150 G HN 0.132 nan 8.290 nan 0.000 0.730 151 D N 2.127 122.512 120.400 -0.024 0.000 2.425 151 D HA 0.340 4.979 4.640 -0.000 0.000 0.240 151 D C 1.890 178.171 176.300 -0.032 0.000 1.080 151 D CA -0.701 53.277 54.000 -0.037 0.000 0.836 151 D CB 1.039 41.819 40.800 -0.033 0.000 1.125 151 D HN 0.606 nan 8.370 nan 0.000 0.525 152 I N 1.201 121.749 120.570 -0.036 0.000 2.530 152 I HA -0.185 3.985 4.170 -0.000 0.000 0.257 152 I C 1.431 177.510 176.117 -0.064 0.000 1.179 152 I CA 0.715 61.985 61.300 -0.051 0.000 1.440 152 I CB -0.123 37.850 38.000 -0.044 0.000 1.087 152 I HN 0.219 nan 8.210 nan 0.000 0.440 153 K N 1.250 121.618 120.400 -0.052 0.000 2.211 153 K HA -0.107 4.213 4.320 -0.000 0.000 0.204 153 K C 1.803 178.355 176.600 -0.079 0.000 1.047 153 K CA 1.997 58.246 56.287 -0.062 0.000 0.935 153 K CB -0.102 32.369 32.500 -0.048 0.000 0.728 153 K HN 0.627 nan 8.250 nan 0.000 0.452 154 V N -4.376 115.499 119.914 -0.064 0.000 3.427 154 V HA 0.409 4.528 4.120 -0.000 0.000 0.305 154 V C 0.717 176.782 176.094 -0.049 0.000 1.412 154 V CA 0.243 62.511 62.300 -0.054 0.000 1.086 154 V CB 0.337 32.151 31.823 -0.016 0.000 0.964 154 V HN 0.312 nan 8.190 nan 0.000 0.439 155 G N 0.138 108.886 108.800 -0.085 0.000 2.134 155 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.209 155 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.209 155 G C -0.097 174.752 174.900 -0.085 0.000 0.993 155 G CA 0.169 45.188 45.100 -0.134 0.000 0.669 155 G HN 0.659 nan 8.290 nan 0.000 0.519 156 Q N 0.894 120.675 119.800 -0.031 0.000 2.256 156 Q HA 0.600 4.940 4.340 -0.000 0.000 0.254 156 Q C 0.489 176.486 176.000 -0.004 0.000 0.916 156 Q CA 0.408 56.220 55.803 0.016 0.000 0.932 156 Q CB 1.464 30.247 28.738 0.075 0.000 1.207 156 Q HN 0.541 nan 8.270 nan 0.000 0.426 157 T N -0.883 113.673 114.554 0.004 0.000 2.864 157 T HA 0.738 5.088 4.350 -0.000 0.000 0.289 157 T C -0.560 174.166 174.700 0.042 0.000 1.082 157 T CA -0.915 61.192 62.100 0.011 0.000 1.009 157 T CB 0.923 69.778 68.868 -0.021 0.000 1.234 157 T HN 0.382 nan 8.240 nan 0.000 0.526 158 L N 1.013 122.275 121.223 0.064 0.000 2.346 158 L HA 0.679 5.019 4.340 -0.000 0.000 0.274 158 L C 0.919 177.847 176.870 0.097 0.000 1.007 158 L CA -0.763 54.129 54.840 0.086 0.000 0.818 158 L CB 2.479 44.602 42.059 0.107 0.000 1.284 158 L HN 1.184 nan 8.230 nan 0.000 0.424 159 T N -3.173 111.446 114.554 0.108 0.000 3.074 159 T HA 0.039 4.389 4.350 -0.000 0.000 0.258 159 T C 0.287 175.073 174.700 0.143 0.000 0.891 159 T CA -0.391 61.785 62.100 0.127 0.000 0.867 159 T CB 0.112 69.038 68.868 0.097 0.000 1.261 159 T HN 0.581 nan 8.240 nan 0.000 0.537 160 Q N 1.949 121.831 119.800 0.137 0.000 2.474 160 Q HA 0.629 4.969 4.340 -0.000 0.000 0.256 160 Q C 0.166 176.237 176.000 0.118 0.000 1.048 160 Q CA -0.407 55.438 55.803 0.069 0.000 0.922 160 Q CB 0.483 29.242 28.738 0.035 0.000 1.288 160 Q HN 0.401 nan 8.270 nan 0.000 0.484 161 A N 2.973 125.877 122.820 0.140 0.000 2.425 161 A HA 0.416 4.736 4.320 -0.000 0.000 0.249 161 A C -2.004 175.769 177.584 0.314 0.000 1.084 161 A CA -1.196 50.986 52.037 0.242 0.000 0.781 161 A CB -0.245 18.990 19.000 0.392 0.000 1.019 161 A HN 0.790 nan 8.150 nan 0.000 0.490 162 P HA 0.329 nan 4.420 nan 0.000 0.289 162 P C -1.186 176.322 177.300 0.347 0.000 1.299 162 P CA -0.068 63.185 63.100 0.256 0.000 0.766 162 P CB 0.546 32.344 31.700 0.163 0.000 1.226 163 Y N -1.497 118.815 120.300 0.019 0.000 2.441 163 Y HA 0.356 4.906 4.550 -0.000 0.000 0.334 163 Y C -1.054 174.839 175.900 -0.011 0.000 1.061 163 Y CA -0.912 57.193 58.100 0.008 0.000 1.032 163 Y CB 1.940 40.266 38.460 -0.225 0.000 1.266 163 Y HN -0.043 nan 8.280 nan 0.000 0.441 164 V N 6.709 126.513 119.914 -0.182 0.000 2.350 164 V HA 0.454 4.573 4.120 -0.000 0.000 0.276 164 V C -0.824 175.219 176.094 -0.085 0.000 1.028 164 V CA -0.578 61.690 62.300 -0.054 0.000 0.860 164 V CB 1.129 33.001 31.823 0.080 0.000 0.990 164 V HN 0.508 nan 8.190 nan 0.000 0.453 165 V N 5.538 125.386 119.914 -0.110 0.000 2.443 165 V HA 0.548 4.668 4.120 -0.000 0.000 0.293 165 V C 0.192 176.210 176.094 -0.126 0.000 1.021 165 V CA -0.379 61.737 62.300 -0.306 0.000 0.848 165 V CB 0.745 32.113 31.823 -0.758 0.000 0.998 165 V HN 1.139 nan 8.190 nan 0.000 0.424 166 H N 2.444 121.563 119.070 0.083 0.000 1.452 166 H HA -0.215 4.341 4.556 -0.000 0.000 0.090 166 H C -0.113 175.366 175.328 0.252 0.000 0.630 166 H CA 0.836 56.978 56.048 0.156 0.000 1.901 166 H CB -0.482 29.340 29.762 0.101 0.000 2.257 166 H HN 0.681 nan 8.280 nan 0.000 0.961 167 D N 1.571 122.162 120.400 0.319 0.000 2.525 167 D HA 0.288 4.928 4.640 -0.000 0.000 0.229 167 D C -0.553 175.695 176.300 -0.087 0.000 1.202 167 D CA 0.196 54.268 54.000 0.120 0.000 0.828 167 D CB 0.051 40.911 40.800 0.099 0.000 1.008 167 D HN 0.131 nan 8.370 nan 0.000 0.493 168 L N 0.607 121.824 121.223 -0.009 0.000 2.317 168 L HA 0.686 5.025 4.340 -0.000 0.000 0.281 168 L C 0.195 177.031 176.870 -0.057 0.000 1.024 168 L CA -1.076 53.723 54.840 -0.068 0.000 0.810 168 L CB 1.830 43.845 42.059 -0.074 0.000 1.240 168 L HN -0.128 nan 8.230 nan 0.000 0.427 169 A N 5.039 127.842 122.820 -0.029 0.000 2.288 169 A HA 0.774 5.093 4.320 -0.000 0.000 0.320 169 A C -0.538 177.029 177.584 -0.027 0.000 1.217 169 A CA -0.479 51.581 52.037 0.039 0.000 0.840 169 A CB 0.610 19.731 19.000 0.202 0.000 1.179 169 A HN 0.543 nan 8.150 nan 0.000 0.504 170 I N 2.865 123.384 120.570 -0.085 0.000 2.474 170 I HA 0.537 4.707 4.170 -0.000 0.000 0.294 170 I C -0.565 175.480 176.117 -0.119 0.000 1.005 170 I CA -0.661 60.500 61.300 -0.232 0.000 1.113 170 I CB 1.354 39.132 38.000 -0.370 0.000 1.289 170 I HN 0.392 nan 8.210 nan 0.000 0.436 171 V N 5.088 124.967 119.914 -0.059 0.000 2.841 171 V HA 0.836 4.956 4.120 -0.000 0.000 0.310 171 V C 0.198 176.329 176.094 0.062 0.000 1.090 171 V CA -0.121 62.225 62.300 0.077 0.000 0.930 171 V CB 2.101 34.011 31.823 0.145 0.000 1.014 171 V HN 0.946 nan 8.190 nan 0.000 0.425 172 G N 3.636 112.499 108.800 0.104 0.000 3.182 172 G HA2 0.766 4.726 3.960 -0.000 0.000 0.167 172 G HA3 0.766 4.726 3.960 -0.000 0.000 0.167 172 G C -0.157 174.650 174.900 -0.154 0.000 1.537 172 G CA 0.246 45.328 45.100 -0.030 0.000 1.046 172 G HN 1.547 nan 8.290 nan 0.000 0.580 173 S N -2.558 113.056 115.700 -0.143 0.000 2.567 173 S HA 0.730 5.200 4.470 -0.000 0.000 0.270 173 S C -1.127 173.493 174.600 0.035 0.000 1.152 173 S CA -0.601 57.462 58.200 -0.229 0.000 0.835 173 S CB 1.736 64.461 63.200 -0.792 0.000 1.115 173 S HN 0.707 nan 8.310 nan 0.000 0.459 174 S N -0.760 114.968 115.700 0.046 0.000 2.564 174 S HA 0.890 5.360 4.470 -0.000 0.000 0.274 174 S C 0.290 174.898 174.600 0.013 0.000 1.124 174 S CA -0.024 58.185 58.200 0.016 0.000 0.869 174 S CB 1.603 64.766 63.200 -0.063 0.000 1.105 174 S HN 2.277 nan 8.310 nan 0.000 0.472 175 G N 0.354 109.143 108.800 -0.019 0.000 2.161 175 G HA2 0.041 4.000 3.960 -0.000 0.000 0.140 175 G HA3 0.041 4.000 3.960 -0.000 0.000 0.140 175 G C 0.646 175.602 174.900 0.094 0.000 1.040 175 G CA 0.309 45.411 45.100 0.004 0.000 0.735 175 G HN 0.951 nan 8.290 nan 0.000 0.496 176 A N 0.184 123.099 122.820 0.159 0.000 1.969 176 A HA 0.211 4.531 4.320 -0.000 0.000 0.218 176 A C 1.900 179.661 177.584 0.295 0.000 1.169 176 A CA 2.177 54.373 52.037 0.264 0.000 0.635 176 A CB -0.190 19.005 19.000 0.324 0.000 0.810 176 A HN 0.379 nan 8.150 nan 0.000 0.445 177 E N -0.884 119.459 120.200 0.238 0.000 2.409 177 E HA -0.006 4.344 4.350 -0.000 0.000 0.198 177 E C 0.168 176.867 176.600 0.165 0.000 1.024 177 E CA 0.577 57.115 56.400 0.229 0.000 0.861 177 E CB -0.082 29.741 29.700 0.205 0.000 0.788 177 E HN 0.519 nan 8.360 nan 0.000 0.521 178 L N -1.331 119.959 121.223 0.111 0.000 3.218 178 L HA 0.380 4.720 4.340 -0.000 0.000 0.279 178 L C 0.952 177.987 176.870 0.275 0.000 1.287 178 L CA 0.066 54.950 54.840 0.072 0.000 1.024 178 L CB 0.671 42.589 42.059 -0.235 0.000 1.409 178 L HN 0.044 nan 8.230 nan 0.000 0.580 179 G N -0.098 108.960 108.800 0.430 0.000 2.258 179 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.274 179 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.274 179 G C 0.320 175.315 174.900 0.158 0.000 1.021 179 G CA 0.381 45.697 45.100 0.361 0.000 0.798 179 G HN 0.204 nan 8.290 nan 0.000 0.507 180 V N 0.290 120.314 119.914 0.182 0.000 2.686 180 V HA 0.333 4.453 4.120 -0.000 0.000 0.295 180 V C 1.199 177.410 176.094 0.194 0.000 1.055 180 V CA -0.104 62.297 62.300 0.168 0.000 1.050 180 V CB 1.460 33.393 31.823 0.184 0.000 0.984 180 V HN 0.561 nan 8.190 nan 0.000 0.482 181 R N 3.220 123.838 120.500 0.197 0.000 2.254 181 R HA 0.503 4.842 4.340 -0.000 0.000 0.318 181 R C 0.341 176.879 176.300 0.397 0.000 1.031 181 R CA -0.268 55.973 56.100 0.235 0.000 0.905 181 R CB 0.869 31.257 30.300 0.147 0.000 1.050 181 R HN 0.890 nan 8.270 nan 0.000 0.456 182 G N 2.593 111.614 108.800 0.367 0.000 2.594 182 G HA2 0.269 4.229 3.960 -0.000 0.000 0.243 182 G HA3 0.269 4.229 3.960 -0.000 0.000 0.243 182 G C -0.982 174.154 174.900 0.393 0.000 1.229 182 G CA -0.278 45.017 45.100 0.325 0.000 0.843 182 G HN 0.912 nan 8.290 nan 0.000 0.578 183 H N -2.731 116.433 119.070 0.156 0.000 3.112 183 H HA 0.581 5.137 4.556 -0.000 0.000 0.347 183 H C -1.763 173.545 175.328 -0.033 0.000 1.188 183 H CA -1.142 54.883 56.048 -0.038 0.000 1.240 183 H CB 1.481 31.128 29.762 -0.192 0.000 1.920 183 H HN 0.581 nan 8.280 nan 0.000 0.535 184 V N 2.699 122.620 119.914 0.012 0.000 2.604 184 V HA 0.750 4.870 4.120 -0.000 0.000 0.305 184 V C -0.892 175.188 176.094 -0.023 0.000 1.043 184 V CA -0.052 62.249 62.300 0.002 0.000 0.888 184 V CB 2.055 33.885 31.823 0.011 0.000 0.995 184 V HN 1.109 nan 8.190 nan 0.000 0.429 185 T N 5.247 119.668 114.554 -0.222 0.000 2.907 185 T HA 0.854 5.204 4.350 -0.000 0.000 0.292 185 T C -0.615 173.515 174.700 -0.949 0.000 1.043 185 T CA -0.182 61.596 62.100 -0.536 0.000 1.003 185 T CB 1.725 70.365 68.868 -0.380 0.000 1.084 185 T HN 1.155 nan 8.240 nan 0.000 0.483 186 A N 1.874 123.801 122.820 -1.488 0.000 2.386 186 A HA 0.828 5.148 4.320 -0.000 0.000 0.311 186 A C -1.836 175.170 177.584 -0.964 0.000 1.068 186 A CA -0.697 50.624 52.037 -1.194 0.000 0.743 186 A CB 0.905 18.976 19.000 -1.548 0.000 1.258 186 A HN 0.793 nan 8.150 nan 0.000 0.429 187 Y N 1.224 121.255 120.300 -0.448 0.000 2.409 187 Y HA 0.339 4.888 4.550 -0.000 0.000 0.343 187 Y C 0.593 176.293 175.900 -0.334 0.000 0.973 187 Y CA -0.779 57.079 58.100 -0.403 0.000 1.064 187 Y CB 1.697 39.875 38.460 -0.470 0.000 1.207 187 Y HN 0.755 nan 8.280 nan 0.000 0.452 188 N N 1.986 120.579 118.700 -0.177 0.000 2.468 188 N HA -0.008 4.732 4.740 -0.000 0.000 0.265 188 N C 1.007 176.402 175.510 -0.192 0.000 1.199 188 N CA 0.248 53.193 53.050 -0.174 0.000 0.928 188 N CB 1.502 39.894 38.487 -0.157 0.000 1.059 188 N HN 0.743 nan 8.380 nan 0.000 0.467 189 V N 3.064 122.859 119.914 -0.198 0.000 2.871 189 V HA -0.027 4.093 4.120 -0.000 0.000 0.256 189 V C 2.014 178.093 176.094 -0.026 0.000 1.082 189 V CA 0.994 63.240 62.300 -0.091 0.000 1.105 189 V CB -0.369 31.103 31.823 -0.585 0.000 0.713 189 V HN 0.582 nan 8.190 nan 0.000 0.473 190 R N 1.374 121.764 120.500 -0.183 0.000 2.148 190 R HA -0.000 4.340 4.340 -0.000 0.000 0.223 190 R C 2.137 178.489 176.300 0.086 0.000 1.088 190 R CA 1.784 57.870 56.100 -0.024 0.000 0.985 190 R CB -0.277 29.987 30.300 -0.059 0.000 0.880 190 R HN 0.800 nan 8.270 nan 0.000 0.451 191 T N -5.824 108.689 114.554 -0.069 0.000 2.993 191 T HA 0.208 4.558 4.350 -0.000 0.000 0.260 191 T C 1.258 175.760 174.700 -0.331 0.000 0.939 191 T CA 0.461 62.471 62.100 -0.151 0.000 0.886 191 T CB 1.143 69.931 68.868 -0.134 0.000 1.209 191 T HN 0.275 nan 8.240 nan 0.000 0.518 192 G N 1.470 109.921 108.800 -0.581 0.000 2.168 192 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.263 192 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.263 192 G C -0.167 174.394 174.900 -0.565 0.000 0.977 192 G CA 0.364 44.828 45.100 -1.060 0.000 0.659 192 G HN 0.777 nan 8.290 nan 0.000 0.533 193 E N 0.377 120.384 120.200 -0.322 0.000 2.384 193 E HA 0.333 4.683 4.350 -0.000 0.000 0.266 193 E C 0.833 177.345 176.600 -0.147 0.000 1.012 193 E CA -0.212 56.075 56.400 -0.190 0.000 0.901 193 E CB 0.304 29.912 29.700 -0.152 0.000 0.967 193 E HN 0.475 nan 8.360 nan 0.000 0.435 194 Q N 2.866 122.591 119.800 -0.125 0.000 2.289 194 Q HA 0.070 4.410 4.340 -0.000 0.000 0.273 194 Q C -0.109 175.705 176.000 -0.310 0.000 1.029 194 Q CA 0.225 55.819 55.803 -0.348 0.000 0.896 194 Q CB 1.025 29.551 28.738 -0.354 0.000 1.182 194 Q HN 0.684 nan 8.270 nan 0.000 0.385 195 A N 5.981 128.554 122.820 -0.411 0.000 1.973 195 A HA 0.207 4.527 4.320 -0.000 0.000 0.210 195 A C -0.327 177.202 177.584 -0.091 0.000 1.200 195 A CA 0.460 52.362 52.037 -0.226 0.000 0.707 195 A CB 0.283 19.162 19.000 -0.202 0.000 0.862 195 A HN 0.909 nan 8.150 nan 0.000 0.461 196 W N -2.217 118.894 121.300 -0.315 0.000 3.319 196 W HA 0.677 5.337 4.660 -0.000 0.000 0.300 196 W C -1.320 174.926 176.519 -0.455 0.000 1.244 196 W CA -0.940 56.199 57.345 -0.344 0.000 1.193 196 W CB 0.360 29.713 29.460 -0.178 0.000 1.359 196 W HN 0.150 nan 8.180 nan 0.000 0.568 197 R N 1.863 122.217 120.500 -0.243 0.000 2.566 197 R HA 0.639 4.979 4.340 -0.000 0.000 0.271 197 R C -2.350 173.622 176.300 -0.545 0.000 1.071 197 R CA -0.277 55.658 56.100 -0.275 0.000 0.915 197 R CB 2.201 32.297 30.300 -0.339 0.000 1.228 197 R HN 0.500 nan 8.270 nan 0.000 0.449 198 Y N 1.628 121.893 120.300 -0.059 0.000 2.615 198 Y HA 0.505 5.054 4.550 -0.000 0.000 0.341 198 Y C -1.051 174.659 175.900 -0.317 0.000 1.089 198 Y CA -0.707 57.322 58.100 -0.119 0.000 1.049 198 Y CB 1.729 40.195 38.460 0.011 0.000 1.296 198 Y HN 0.467 nan 8.280 nan 0.000 0.470 199 Y N -1.058 119.449 120.300 0.345 0.000 2.630 199 Y HA 0.634 5.184 4.550 -0.000 0.000 0.337 199 Y C 0.608 176.650 175.900 0.238 0.000 1.051 199 Y CA -0.765 57.495 58.100 0.266 0.000 1.121 199 Y CB 1.879 40.459 38.460 0.199 0.000 1.299 199 Y HN 0.640 nan 8.280 nan 0.000 0.498 200 A N -0.235 122.836 122.820 0.419 0.000 2.252 200 A HA 0.289 4.609 4.320 -0.000 0.000 0.213 200 A C 0.504 178.297 177.584 0.349 0.000 1.188 200 A CA 1.027 53.280 52.037 0.360 0.000 0.863 200 A CB -0.300 18.910 19.000 0.351 0.000 0.893 200 A HN 0.691 nan 8.150 nan 0.000 0.495 201 T N -5.229 109.485 114.554 0.266 0.000 2.816 201 T HA 0.654 5.003 4.350 -0.000 0.000 0.299 201 T C 0.183 174.800 174.700 -0.139 0.000 1.230 201 T CA 0.221 62.383 62.100 0.103 0.000 1.007 201 T CB 1.255 70.122 68.868 -0.002 0.000 1.289 201 T HN 1.997 nan 8.240 nan 0.000 0.508 202 G N 1.067 109.504 108.800 -0.605 0.000 2.548 202 G HA2 0.096 4.056 3.960 -0.000 0.000 0.208 202 G HA3 0.096 4.056 3.960 -0.000 0.000 0.208 202 G C -3.134 171.364 174.900 -0.670 0.000 1.308 202 G CA -0.592 43.746 45.100 -1.270 0.000 0.924 202 G HN 0.870 nan 8.290 nan 0.000 0.540 203 P HA 0.244 nan 4.420 nan 0.000 0.268 203 P C 0.439 177.654 177.300 -0.143 0.000 1.204 203 P CA 0.103 63.034 63.100 -0.282 0.000 0.768 203 P CB 0.449 32.023 31.700 -0.210 0.000 0.842 204 D N 3.002 123.340 120.400 -0.103 0.000 2.200 204 D HA -0.259 4.380 4.640 -0.000 0.000 0.192 204 D C 1.883 178.127 176.300 -0.093 0.000 1.008 204 D CA 2.280 56.217 54.000 -0.105 0.000 0.872 204 D CB -0.637 40.105 40.800 -0.097 0.000 0.923 204 D HN 0.414 nan 8.370 nan 0.000 0.447 205 A N 0.475 123.269 122.820 -0.044 0.000 1.972 205 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 205 A C 2.097 179.762 177.584 0.135 0.000 1.169 205 A CA 1.520 53.566 52.037 0.014 0.000 0.635 205 A CB -0.351 18.663 19.000 0.024 0.000 0.810 205 A HN 0.245 nan 8.150 nan 0.000 0.446 206 E N -0.517 119.758 120.200 0.126 0.000 2.086 206 E HA 0.007 4.357 4.350 -0.000 0.000 0.190 206 E C 1.825 178.661 176.600 0.393 0.000 0.975 206 E CA 0.727 57.286 56.400 0.266 0.000 0.813 206 E CB -0.157 29.604 29.700 0.102 0.000 0.768 206 E HN 0.666 nan 8.360 nan 0.000 0.457 207 I N 0.228 120.890 120.570 0.154 0.000 2.394 207 I HA -0.108 4.062 4.170 -0.000 0.000 0.251 207 I C 1.406 177.404 176.117 -0.198 0.000 1.136 207 I CA 0.956 62.296 61.300 0.067 0.000 1.425 207 I CB -0.295 37.692 38.000 -0.021 0.000 1.079 207 I HN 0.274 nan 8.210 nan 0.000 0.425 208 G N 1.692 110.279 108.800 -0.354 0.000 2.171 208 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.238 208 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.238 208 G C 0.163 174.608 174.900 -0.759 0.000 1.039 208 G CA -0.467 44.048 45.100 -0.975 0.000 0.759 208 G HN 0.256 nan 8.290 nan 0.000 0.501 209 L N 0.323 121.204 121.223 -0.571 0.000 2.540 209 L HA 0.356 4.696 4.340 -0.000 0.000 0.276 209 L C 1.515 178.178 176.870 -0.346 0.000 1.212 209 L CA 0.319 54.811 54.840 -0.580 0.000 0.893 209 L CB 0.193 41.865 42.059 -0.645 0.000 1.138 209 L HN 0.518 nan 8.230 nan 0.000 0.491 210 A N 3.270 125.941 122.820 -0.249 0.000 2.492 210 A HA -0.012 4.307 4.320 -0.000 0.000 0.236 210 A C 1.027 178.586 177.584 -0.042 0.000 1.078 210 A CA -0.193 51.772 52.037 -0.120 0.000 0.773 210 A CB 0.112 19.072 19.000 -0.067 0.000 1.023 210 A HN 0.865 nan 8.150 nan 0.000 0.504 211 D N 0.184 120.566 120.400 -0.031 0.000 2.269 211 D HA -0.108 4.531 4.640 -0.000 0.000 0.208 211 D C 0.255 176.572 176.300 0.029 0.000 0.963 211 D CA 1.415 55.414 54.000 -0.002 0.000 0.864 211 D CB 0.030 40.824 40.800 -0.011 0.000 0.936 211 D HN 0.758 nan 8.370 nan 0.000 0.505 212 D N 0.265 120.682 120.400 0.028 0.000 2.587 212 D HA -0.064 4.576 4.640 -0.000 0.000 0.233 212 D C 0.183 176.511 176.300 0.047 0.000 1.213 212 D CA -0.720 53.295 54.000 0.025 0.000 0.827 212 D CB -1.229 39.572 40.800 0.002 0.000 1.006 212 D HN 0.069 nan 8.370 nan 0.000 0.490 213 F N 1.931 121.834 119.950 -0.079 0.000 2.578 213 F HA 0.103 4.630 4.527 -0.000 0.000 0.376 213 F C 0.880 176.639 175.800 -0.068 0.000 1.085 213 F CA 0.173 58.111 58.000 -0.103 0.000 1.260 213 F CB 0.033 38.933 39.000 -0.168 0.000 1.095 213 F HN 0.066 nan 8.300 nan 0.000 0.573 214 N N 2.319 120.607 118.700 -0.686 0.000 2.696 214 N HA -0.291 4.449 4.740 -0.000 0.000 0.249 214 N C 1.002 176.306 175.510 -0.344 0.000 1.090 214 N CA 0.547 53.217 53.050 -0.634 0.000 0.716 214 N CB -0.575 37.350 38.487 -0.937 0.000 1.020 214 N HN 0.730 nan 8.380 nan 0.000 0.548 215 S N -1.259 114.319 115.700 -0.202 0.000 2.387 215 S HA 0.009 4.479 4.470 -0.000 0.000 0.226 215 S C 2.033 176.548 174.600 -0.143 0.000 1.026 215 S CA 0.563 58.686 58.200 -0.129 0.000 0.972 215 S CB -0.007 63.149 63.200 -0.073 0.000 0.814 215 S HN 0.491 nan 8.310 nan 0.000 0.477 216 A N 1.613 124.331 122.820 -0.171 0.000 2.209 216 A HA 0.209 4.529 4.320 -0.000 0.000 0.212 216 A C 0.529 177.967 177.584 -0.244 0.000 1.158 216 A CA 0.568 52.497 52.037 -0.180 0.000 0.742 216 A CB -0.459 18.436 19.000 -0.175 0.000 0.790 216 A HN 0.643 nan 8.150 nan 0.000 0.472 217 N N -0.999 117.482 118.700 -0.366 0.000 2.697 217 N HA 0.205 4.945 4.740 -0.000 0.000 0.253 217 N C -2.537 172.687 175.510 -0.477 0.000 1.604 217 N CA -0.941 51.771 53.050 -0.564 0.000 0.772 217 N CB 1.556 39.142 38.487 -1.501 0.000 1.267 217 N HN 0.001 nan 8.380 nan 0.000 0.510 218 P HA -0.228 nan 4.420 nan 0.000 0.218 218 P C 0.979 178.277 177.300 -0.003 0.000 1.148 218 P CA 1.485 64.540 63.100 -0.075 0.000 0.822 218 P CB -0.007 31.688 31.700 -0.007 0.000 0.784 219 H N -2.471 116.563 119.070 -0.061 0.000 2.456 219 H HA -0.115 4.441 4.556 -0.000 0.000 0.296 219 H C 1.934 177.385 175.328 0.204 0.000 1.079 219 H CA 0.905 56.981 56.048 0.047 0.000 1.322 219 H CB -1.597 28.187 29.762 0.036 0.000 1.388 219 H HN 0.191 nan 8.280 nan 0.000 0.538 220 Y N 1.550 121.619 120.300 -0.386 0.000 2.333 220 Y HA 0.004 4.554 4.550 -0.000 0.000 0.290 220 Y C 1.183 177.155 175.900 0.120 0.000 1.144 220 Y CA -0.078 57.942 58.100 -0.133 0.000 1.228 220 Y CB 0.163 38.560 38.460 -0.106 0.000 0.985 220 Y HN 0.595 nan 8.280 nan 0.000 0.542 221 G N -0.121 108.849 108.800 0.284 0.000 2.592 221 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.685 221 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.685 221 G C -1.026 174.156 174.900 0.469 0.000 1.278 221 G CA -0.649 44.678 45.100 0.378 0.000 0.822 221 G HN 0.155 nan 8.290 nan 0.000 0.652 222 Q N 0.141 120.197 119.800 0.426 0.000 3.046 222 Q HA 0.383 4.723 4.340 -0.000 0.000 0.211 222 Q C 0.532 176.824 176.000 0.487 0.000 1.153 222 Q CA -0.658 55.420 55.803 0.458 0.000 0.326 222 Q CB 0.781 29.655 28.738 0.227 0.000 5.660 222 Q HN 0.500 nan 8.270 nan 0.000 0.312 223 K N 0.095 120.662 120.400 0.279 0.000 2.126 223 K HA 0.321 4.641 4.320 -0.000 0.000 0.257 223 K C 0.381 177.080 176.600 0.166 0.000 1.007 223 K CA 0.726 57.122 56.287 0.182 0.000 0.928 223 K CB 0.729 33.292 32.500 0.104 0.000 1.013 223 K HN 0.765 nan 8.250 nan 0.000 0.473 224 G N 0.988 109.856 108.800 0.114 0.000 2.205 224 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.261 224 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.261 224 G C 0.640 175.581 174.900 0.069 0.000 0.980 224 G CA 0.243 45.384 45.100 0.068 0.000 0.632 224 G HN 0.542 nan 8.290 nan 0.000 0.533 225 L N 1.009 122.315 121.223 0.138 0.000 2.554 225 L HA 0.262 4.602 4.340 -0.000 0.000 0.226 225 L C 2.767 179.612 176.870 -0.041 0.000 1.137 225 L CA 0.827 55.681 54.840 0.023 0.000 0.863 225 L CB -0.202 41.834 42.059 -0.039 0.000 0.985 225 L HN 0.303 nan 8.230 nan 0.000 0.451 226 G N -0.279 108.538 108.800 0.028 0.000 2.471 226 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.219 226 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.219 226 G C 1.515 176.337 174.900 -0.130 0.000 1.125 226 G CA 1.411 46.498 45.100 -0.022 0.000 0.775 226 G HN 0.453 nan 8.290 nan 0.000 0.548 227 T N -3.259 111.223 114.554 -0.120 0.000 3.075 227 T HA 0.446 4.796 4.350 -0.000 0.000 0.251 227 T C 2.516 177.301 174.700 0.141 0.000 0.979 227 T CA 1.113 63.124 62.100 -0.148 0.000 1.033 227 T CB -0.194 68.531 68.868 -0.238 0.000 1.104 227 T HN 0.197 nan 8.240 nan 0.000 0.473 228 A N 2.562 125.427 122.820 0.074 0.000 1.940 228 A HA -0.034 4.286 4.320 -0.000 0.000 0.219 228 A C 2.353 179.980 177.584 0.071 0.000 1.176 228 A CA 2.146 54.227 52.037 0.074 0.000 0.631 228 A CB -1.478 17.544 19.000 0.036 0.000 0.814 228 A HN 0.744 nan 8.150 nan 0.000 0.446 229 T N -4.930 109.654 114.554 0.049 0.000 3.366 229 T HA 0.350 4.699 4.350 -0.000 0.000 0.249 229 T C -0.336 174.207 174.700 -0.260 0.000 1.028 229 T CA -0.416 61.615 62.100 -0.115 0.000 0.938 229 T CB -0.687 68.031 68.868 -0.251 0.000 1.046 229 T HN 0.429 nan 8.240 nan 0.000 0.587 230 W N 0.409 121.741 121.300 0.053 0.000 3.031 230 W HA 0.548 5.207 4.660 -0.000 0.000 0.337 230 W C -0.505 176.087 176.519 0.121 0.000 1.187 230 W CA -1.114 56.309 57.345 0.129 0.000 1.166 230 W CB 1.539 31.166 29.460 0.277 0.000 1.437 230 W HN 0.044 nan 8.180 nan 0.000 0.551 231 E N 1.623 122.041 120.200 0.364 0.000 2.092 231 E HA 0.493 4.843 4.350 -0.000 0.000 0.271 231 E C 0.809 177.546 176.600 0.228 0.000 0.919 231 E CA 0.528 57.063 56.400 0.225 0.000 0.760 231 E CB 0.438 30.223 29.700 0.142 0.000 1.106 231 E HN 0.648 nan 8.360 nan 0.000 0.408 232 G N 4.924 113.845 108.800 0.202 0.000 2.556 232 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.283 232 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.283 232 G C 0.247 175.224 174.900 0.129 0.000 1.177 232 G CA 0.225 45.409 45.100 0.139 0.000 0.978 232 G HN 0.665 nan 8.290 nan 0.000 0.554 233 D N 1.515 121.852 120.400 -0.105 0.000 2.463 233 D HA 0.527 5.167 4.640 -0.000 0.000 0.224 233 D C 1.988 177.862 176.300 -0.711 0.000 1.174 233 D CA 0.941 54.613 54.000 -0.547 0.000 0.829 233 D CB 0.044 40.562 40.800 -0.470 0.000 0.993 233 D HN 0.716 nan 8.370 nan 0.000 0.497 234 A N 0.786 123.443 122.820 -0.271 0.000 1.969 234 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 234 A C 2.041 179.377 177.584 -0.413 0.000 1.169 234 A CA 0.580 52.550 52.037 -0.113 0.000 0.635 234 A CB -0.939 18.239 19.000 0.296 0.000 0.810 234 A HN 0.553 nan 8.150 nan 0.000 0.445 235 W N 0.556 121.401 121.300 -0.759 0.000 2.331 235 W HA -0.196 4.464 4.660 -0.000 0.000 0.291 235 W C 1.110 177.183 176.519 -0.743 0.000 1.214 235 W CA 1.256 57.666 57.345 -1.559 0.000 1.228 235 W CB -0.873 27.646 29.460 -1.569 0.000 1.135 235 W HN 0.266 nan 8.180 nan 0.000 0.537 236 K N 1.452 121.199 120.400 -1.090 0.000 2.360 236 K HA -0.116 4.204 4.320 -0.000 0.000 0.201 236 K C 1.205 177.524 176.600 -0.469 0.000 1.046 236 K CA 1.686 57.467 56.287 -0.843 0.000 0.940 236 K CB -0.368 31.523 32.500 -1.016 0.000 0.748 236 K HN 0.459 nan 8.250 nan 0.000 0.465 237 I N -4.523 115.771 120.570 -0.460 0.000 2.979 237 I HA 0.297 4.466 4.170 -0.000 0.000 0.337 237 I C 0.657 176.709 176.117 -0.109 0.000 1.453 237 I CA -0.576 60.498 61.300 -0.376 0.000 0.891 237 I CB 1.210 38.709 38.000 -0.835 0.000 1.887 237 I HN -0.188 nan 8.210 nan 0.000 0.546 238 G N 0.311 109.057 108.800 -0.090 0.000 3.233 238 G HA2 0.551 4.511 3.960 -0.000 0.000 0.234 238 G HA3 0.551 4.511 3.960 -0.000 0.000 0.234 238 G C 0.787 175.887 174.900 0.333 0.000 1.137 238 G CA 0.285 45.421 45.100 0.059 0.000 0.763 238 G HN 0.871 nan 8.290 nan 0.000 0.549 239 G N -0.299 108.662 108.800 0.269 0.000 2.488 239 G HA2 0.309 4.268 3.960 -0.000 0.000 0.237 239 G HA3 0.309 4.268 3.960 -0.000 0.000 0.237 239 G C 1.080 176.169 174.900 0.314 0.000 1.209 239 G CA 0.925 46.212 45.100 0.311 0.000 0.929 239 G HN 1.858 nan 8.290 nan 0.000 0.578 240 G N -1.872 107.119 108.800 0.320 0.000 2.162 240 G HA2 0.120 4.080 3.960 -0.000 0.000 0.260 240 G HA3 0.120 4.080 3.960 -0.000 0.000 0.260 240 G C 1.154 176.225 174.900 0.285 0.000 0.976 240 G CA 1.740 47.024 45.100 0.306 0.000 0.655 240 G HN 2.787 nan 8.290 nan 0.000 0.533 241 T N -0.117 114.611 114.554 0.289 0.000 2.908 241 T HA 0.366 4.716 4.350 -0.000 0.000 0.325 241 T C 0.283 175.134 174.700 0.252 0.000 1.092 241 T CA 0.391 62.643 62.100 0.254 0.000 1.125 241 T CB 1.151 70.196 68.868 0.296 0.000 1.016 241 T HN 1.061 nan 8.240 nan 0.000 0.550 242 N N 2.421 121.203 118.700 0.138 0.000 2.524 242 N HA 0.145 4.885 4.740 -0.000 0.000 0.261 242 N C -0.199 175.302 175.510 -0.015 0.000 0.998 242 N CA -1.071 51.981 53.050 0.003 0.000 0.915 242 N CB 1.157 39.623 38.487 -0.035 0.000 1.187 242 N HN 1.067 nan 8.380 nan 0.000 0.507 243 W N 1.821 123.059 121.300 -0.104 0.000 2.467 243 W HA 0.456 5.116 4.660 -0.000 0.000 0.369 243 W C -0.318 176.050 176.519 -0.251 0.000 0.938 243 W CA -0.720 56.543 57.345 -0.136 0.000 1.845 243 W CB -0.499 28.927 29.460 -0.058 0.000 1.167 243 W HN 0.388 nan 8.180 nan 0.000 0.558 244 G N 1.401 109.817 108.800 -0.640 0.000 3.182 244 G HA2 0.427 4.387 3.960 -0.000 0.000 0.167 244 G HA3 0.427 4.387 3.960 -0.000 0.000 0.167 244 G C -1.391 173.015 174.900 -0.823 0.000 1.537 244 G CA -0.465 44.149 45.100 -0.809 0.000 1.046 244 G HN 0.122 nan 8.290 nan 0.000 0.580 245 W N -1.568 119.587 121.300 -0.241 0.000 2.647 245 W HA 0.684 5.344 4.660 -0.000 0.000 0.353 245 W C -1.154 175.129 176.519 -0.393 0.000 1.080 245 W CA -0.756 56.486 57.345 -0.173 0.000 1.208 245 W CB 1.236 30.676 29.460 -0.034 0.000 1.396 245 W HN 0.286 nan 8.180 nan 0.000 0.573 246 Y N 0.764 121.106 120.300 0.070 0.000 2.549 246 Y HA 0.780 5.330 4.550 -0.000 0.000 0.339 246 Y C 0.427 176.262 175.900 -0.109 0.000 1.053 246 Y CA -1.305 56.690 58.100 -0.175 0.000 1.105 246 Y CB 1.711 39.699 38.460 -0.787 0.000 1.258 246 Y HN 0.466 nan 8.280 nan 0.000 0.478 247 A N 1.097 124.109 122.820 0.321 0.000 2.486 247 A HA 0.811 5.131 4.320 -0.000 0.000 0.289 247 A C -2.440 175.551 177.584 0.679 0.000 1.176 247 A CA -0.732 51.605 52.037 0.500 0.000 0.757 247 A CB 1.821 21.068 19.000 0.412 0.000 1.337 247 A HN 0.666 nan 8.150 nan 0.000 0.423 248 Y N 0.632 121.232 120.300 0.499 0.000 2.442 248 Y HA 0.486 5.035 4.550 -0.000 0.000 0.330 248 Y C -1.674 174.342 175.900 0.193 0.000 1.100 248 Y CA -1.317 56.928 58.100 0.240 0.000 1.034 248 Y CB 1.849 40.331 38.460 0.037 0.000 1.285 248 Y HN 0.678 nan 8.280 nan 0.000 0.440 249 D N 8.169 128.383 120.400 -0.310 0.000 2.396 249 D HA 0.332 4.972 4.640 -0.000 0.000 0.225 249 D C -2.181 173.560 176.300 -0.932 0.000 1.121 249 D CA -2.330 51.446 54.000 -0.374 0.000 0.853 249 D CB 2.186 42.997 40.800 0.019 0.000 1.043 249 D HN 0.357 nan 8.370 nan 0.000 0.500 250 P HA -0.029 nan 4.420 nan 0.000 0.221 250 P C 0.902 178.074 177.300 -0.213 0.000 1.150 250 P CA 0.776 63.491 63.100 -0.643 0.000 0.800 250 P CB 0.323 31.912 31.700 -0.184 0.000 0.787 251 A N 0.147 122.879 122.820 -0.146 0.000 1.898 251 A HA 0.123 4.443 4.320 -0.000 0.000 0.214 251 A C 2.239 179.798 177.584 -0.041 0.000 1.183 251 A CA 1.566 53.574 52.037 -0.049 0.000 0.622 251 A CB -1.357 17.631 19.000 -0.020 0.000 0.824 251 A HN 0.188 nan 8.150 nan 0.000 0.444 252 A N -1.067 121.712 122.820 -0.068 0.000 2.169 252 A HA 0.108 4.428 4.320 -0.000 0.000 0.212 252 A C 1.026 178.587 177.584 -0.039 0.000 1.153 252 A CA 0.785 52.806 52.037 -0.027 0.000 0.756 252 A CB -0.734 18.273 19.000 0.013 0.000 0.813 252 A HN 0.739 nan 8.150 nan 0.000 0.471 253 N N -1.068 117.577 118.700 -0.091 0.000 2.721 253 N HA -0.153 4.587 4.740 -0.000 0.000 0.249 253 N C -0.941 174.604 175.510 0.058 0.000 1.072 253 N CA 0.261 53.327 53.050 0.027 0.000 0.710 253 N CB -0.988 37.584 38.487 0.142 0.000 0.993 253 N HN 0.467 nan 8.380 nan 0.000 0.547 254 L N 1.416 122.566 121.223 -0.122 0.000 2.325 254 L HA 0.635 4.974 4.340 -0.000 0.000 0.278 254 L C 0.490 177.210 176.870 -0.250 0.000 1.023 254 L CA -0.865 53.813 54.840 -0.270 0.000 0.811 254 L CB 1.624 43.365 42.059 -0.530 0.000 1.249 254 L HN 0.040 nan 8.230 nan 0.000 0.431 255 I N 0.940 121.379 120.570 -0.218 0.000 2.607 255 I HA 0.446 4.616 4.170 -0.000 0.000 0.305 255 I C -1.252 174.690 176.117 -0.292 0.000 0.995 255 I CA -0.814 60.468 61.300 -0.029 0.000 1.148 255 I CB 1.584 39.685 38.000 0.169 0.000 1.323 255 I HN 0.348 nan 8.210 nan 0.000 0.461 256 Y N 3.717 124.173 120.300 0.261 0.000 2.477 256 Y HA 0.642 5.191 4.550 -0.000 0.000 0.347 256 Y C -0.631 175.382 175.900 0.188 0.000 0.981 256 Y CA -0.874 57.274 58.100 0.080 0.000 1.033 256 Y CB 1.852 40.321 38.460 0.015 0.000 1.245 256 Y HN 0.516 nan 8.280 nan 0.000 0.455 257 Y N -1.171 119.169 120.300 0.066 0.000 2.677 257 Y HA 0.828 5.378 4.550 -0.000 0.000 0.334 257 Y C -0.781 175.040 175.900 -0.133 0.000 1.196 257 Y CA -2.162 55.872 58.100 -0.111 0.000 1.059 257 Y CB 0.842 39.151 38.460 -0.252 0.000 1.315 257 Y HN 0.758 nan 8.280 nan 0.000 0.455 258 G N 0.904 109.660 108.800 -0.074 0.000 2.356 258 G HA2 0.533 4.492 3.960 -0.000 0.000 0.322 258 G HA3 0.533 4.492 3.960 -0.000 0.000 0.322 258 G C -0.914 174.030 174.900 0.074 0.000 1.125 258 G CA -0.507 44.544 45.100 -0.082 0.000 0.885 258 G HN 1.027 nan 8.290 nan 0.000 0.467 259 S N 1.057 116.805 115.700 0.079 0.000 2.654 259 S HA 0.810 5.280 4.470 -0.000 0.000 0.283 259 S C 0.780 175.466 174.600 0.143 0.000 1.180 259 S CA -0.121 58.190 58.200 0.185 0.000 1.021 259 S CB 1.749 65.090 63.200 0.235 0.000 1.018 259 S HN 0.916 nan 8.310 nan 0.000 0.532 260 G N 1.180 110.090 108.800 0.182 0.000 2.531 260 G HA2 0.315 4.275 3.960 -0.000 0.000 0.253 260 G HA3 0.315 4.275 3.960 -0.000 0.000 0.253 260 G C -0.041 175.004 174.900 0.241 0.000 1.439 260 G CA -0.942 44.287 45.100 0.215 0.000 1.056 260 G HN 0.954 nan 8.290 nan 0.000 0.555 261 N N 0.713 119.575 118.700 0.270 0.000 2.483 261 N HA 0.338 5.077 4.740 -0.000 0.000 0.269 261 N C -2.831 172.826 175.510 0.245 0.000 1.209 261 N CA -1.173 52.005 53.050 0.214 0.000 0.969 261 N CB 1.877 40.459 38.487 0.158 0.000 1.173 261 N HN 0.165 nan 8.380 nan 0.000 0.475 262 P HA 0.299 nan 4.420 nan 0.000 0.278 262 P C -1.254 176.226 177.300 0.300 0.000 1.258 262 P CA -0.507 62.778 63.100 0.307 0.000 0.811 262 P CB 1.042 32.889 31.700 0.246 0.000 1.063 263 A N 2.212 125.262 122.820 0.384 0.000 2.350 263 A HA 0.775 5.095 4.320 -0.000 0.000 0.324 263 A C -2.464 175.323 177.584 0.339 0.000 1.118 263 A CA -1.888 50.358 52.037 0.348 0.000 0.783 263 A CB 0.902 20.170 19.000 0.447 0.000 1.236 263 A HN 0.394 nan 8.150 nan 0.000 0.457 264 P HA 0.243 nan 4.420 nan 0.000 0.306 264 P C 0.027 177.388 177.300 0.102 0.000 1.309 264 P CA -0.414 62.534 63.100 -0.253 0.000 0.759 264 P CB 0.524 31.604 31.700 -1.034 0.000 1.314 265 W N -1.293 119.907 121.300 -0.167 0.000 2.388 265 W HA 0.008 4.668 4.660 -0.000 0.000 0.294 265 W C 1.163 177.736 176.519 0.089 0.000 1.212 265 W CA 0.538 57.909 57.345 0.043 0.000 1.271 265 W CB -2.087 27.397 29.460 0.040 0.000 1.126 265 W HN 0.273 nan 8.180 nan 0.000 0.535 266 N N 2.406 121.186 118.700 0.134 0.000 2.309 266 N HA -0.137 4.602 4.740 -0.000 0.000 0.293 266 N C 1.198 176.710 175.510 0.005 0.000 1.327 266 N CA 0.870 53.938 53.050 0.029 0.000 1.054 266 N CB 0.178 38.592 38.487 -0.123 0.000 1.474 266 N HN 0.378 nan 8.380 nan 0.000 0.486 267 E N 1.060 121.241 120.200 -0.032 0.000 2.153 267 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 267 E C 1.144 177.757 176.600 0.022 0.000 0.988 267 E CA 1.708 58.020 56.400 -0.148 0.000 0.811 267 E CB -0.613 28.891 29.700 -0.327 0.000 0.746 267 E HN 0.406 nan 8.360 nan 0.000 0.466 268 T N 0.569 115.146 114.554 0.039 0.000 2.897 268 T HA -0.083 4.267 4.350 -0.000 0.000 0.271 268 T C 1.483 176.223 174.700 0.067 0.000 1.084 268 T CA 1.556 63.691 62.100 0.058 0.000 1.123 268 T CB -0.239 68.660 68.868 0.053 0.000 0.865 268 T HN 0.232 nan 8.240 nan 0.000 0.496 269 M N 0.934 120.570 119.600 0.061 0.000 2.618 269 M HA 0.108 4.588 4.480 -0.000 0.000 0.240 269 M C 0.527 176.906 176.300 0.132 0.000 1.123 269 M CA 0.619 55.973 55.300 0.091 0.000 1.060 269 M CB 0.221 32.869 32.600 0.080 0.000 1.535 269 M HN 0.200 nan 8.290 nan 0.000 0.507 270 R N -0.125 120.446 120.500 0.118 0.000 2.754 270 R HA 0.358 4.698 4.340 -0.000 0.000 0.255 270 R C -3.103 173.249 176.300 0.086 0.000 1.723 270 R CA -1.361 54.814 56.100 0.126 0.000 1.596 270 R CB -0.319 30.070 30.300 0.148 0.000 1.424 270 R HN -0.133 nan 8.270 nan 0.000 0.662 271 P HA 0.391 nan 4.420 nan 0.000 0.275 271 P C 0.063 177.265 177.300 -0.164 0.000 1.227 271 P CA 0.458 63.506 63.100 -0.087 0.000 0.781 271 P CB 1.606 33.251 31.700 -0.092 0.000 0.906 272 G N 2.037 110.659 108.800 -0.296 0.000 2.317 272 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.445 272 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.445 272 G C -0.124 174.594 174.900 -0.303 0.000 1.486 272 G CA -0.578 44.337 45.100 -0.308 0.000 0.991 272 G HN 0.297 nan 8.290 nan 0.000 0.660 273 D N 0.498 120.723 120.400 -0.292 0.000 2.351 273 D HA -0.000 4.640 4.640 -0.000 0.000 0.216 273 D C 1.316 177.401 176.300 -0.358 0.000 0.968 273 D CA 1.233 55.082 54.000 -0.251 0.000 0.899 273 D CB -0.019 40.637 40.800 -0.240 0.000 0.907 273 D HN 0.548 nan 8.370 nan 0.000 0.514 274 N N 0.412 118.706 118.700 -0.676 0.000 2.758 274 N HA -0.192 4.547 4.740 -0.000 0.000 0.248 274 N C -0.381 174.996 175.510 -0.222 0.000 1.076 274 N CA 0.534 53.007 53.050 -0.961 0.000 0.696 274 N CB -1.277 36.760 38.487 -0.749 0.000 0.979 274 N HN 0.379 nan 8.380 nan 0.000 0.550 275 K N -0.758 119.498 120.400 -0.239 0.000 2.336 275 K HA -0.025 4.295 4.320 -0.000 0.000 0.262 275 K C 0.490 177.033 176.600 -0.095 0.000 0.992 275 K CA 0.336 56.383 56.287 -0.399 0.000 0.927 275 K CB 0.154 31.960 32.500 -1.157 0.000 0.956 275 K HN 0.339 nan 8.250 nan 0.000 0.495 276 W N -1.093 120.315 121.300 0.180 0.000 4.374 276 W HA -0.300 4.360 4.660 -0.000 0.000 0.313 276 W C 0.713 177.322 176.519 0.150 0.000 1.129 276 W CA 0.455 57.879 57.345 0.131 0.000 0.761 276 W CB -2.753 26.754 29.460 0.079 0.000 2.171 276 W HN 0.592 nan 8.180 nan 0.000 1.566 277 T N -2.518 112.211 114.554 0.291 0.000 2.868 277 T HA 0.424 4.773 4.350 -0.000 0.000 0.292 277 T C 0.977 175.780 174.700 0.173 0.000 1.028 277 T CA 0.158 62.412 62.100 0.257 0.000 1.059 277 T CB 1.004 70.038 68.868 0.277 0.000 0.991 277 T HN 0.257 nan 8.240 nan 0.000 0.531 278 M N -0.291 119.402 119.600 0.156 0.000 2.461 278 M HA -0.139 4.341 4.480 -0.000 0.000 0.203 278 M C -0.074 176.258 176.300 0.053 0.000 0.428 278 M CA 0.717 56.081 55.300 0.107 0.000 0.509 278 M CB -3.237 29.417 32.600 0.089 0.000 1.851 278 M HN 0.939 nan 8.290 nan 0.000 0.834 279 T N 0.407 115.009 114.554 0.081 0.000 2.863 279 T HA 0.737 5.087 4.350 -0.000 0.000 0.285 279 T C 0.646 175.321 174.700 -0.041 0.000 1.009 279 T CA -0.654 61.478 62.100 0.054 0.000 0.989 279 T CB 2.118 71.139 68.868 0.256 0.000 1.004 279 T HN 0.250 nan 8.240 nan 0.000 0.455 280 I N 3.148 123.686 120.570 -0.054 0.000 2.396 280 I HA 0.246 4.416 4.170 -0.000 0.000 0.289 280 I C 0.326 176.361 176.117 -0.137 0.000 1.056 280 I CA -0.093 61.129 61.300 -0.129 0.000 1.365 280 I CB 0.622 38.596 38.000 -0.043 0.000 1.407 280 I HN 0.513 nan 8.210 nan 0.000 0.509 281 T N 5.601 119.934 114.554 -0.369 0.000 2.824 281 T HA 0.648 4.998 4.350 -0.000 0.000 0.282 281 T C -0.291 174.097 174.700 -0.521 0.000 0.993 281 T CA -0.602 61.198 62.100 -0.499 0.000 0.967 281 T CB 1.770 70.136 68.868 -0.837 0.000 0.960 281 T HN 0.666 nan 8.240 nan 0.000 0.441 282 A N 3.825 126.247 122.820 -0.664 0.000 2.304 282 A HA 0.795 5.115 4.320 -0.000 0.000 0.314 282 A C -0.197 177.060 177.584 -0.546 0.000 1.187 282 A CA -0.838 50.732 52.037 -0.778 0.000 0.810 282 A CB 0.832 18.892 19.000 -1.568 0.000 1.183 282 A HN 0.781 nan 8.150 nan 0.000 0.487 283 R N 1.445 121.710 120.500 -0.392 0.000 2.686 283 R HA 0.334 4.674 4.340 -0.000 0.000 0.286 283 R C -1.349 174.798 176.300 -0.255 0.000 0.969 283 R CA -0.798 55.121 56.100 -0.301 0.000 0.898 283 R CB 2.173 32.344 30.300 -0.215 0.000 1.183 283 R HN 0.901 nan 8.270 nan 0.000 0.456 284 D N 1.028 121.276 120.400 -0.253 0.000 2.455 284 D HA 0.079 4.719 4.640 -0.000 0.000 0.241 284 D C 0.860 177.084 176.300 -0.127 0.000 1.138 284 D CA 0.244 54.151 54.000 -0.156 0.000 0.877 284 D CB 1.289 41.996 40.800 -0.155 0.000 1.187 284 D HN 0.583 nan 8.370 nan 0.000 0.451 285 A N 3.596 126.435 122.820 0.032 0.000 1.970 285 A HA -0.102 4.217 4.320 -0.000 0.000 0.216 285 A C 1.662 179.418 177.584 0.286 0.000 1.170 285 A CA 1.021 53.127 52.037 0.116 0.000 0.645 285 A CB -0.101 18.871 19.000 -0.047 0.000 0.816 285 A HN 0.714 nan 8.150 nan 0.000 0.447 286 D N -0.697 119.821 120.400 0.197 0.000 2.183 286 D HA -0.069 4.571 4.640 -0.000 0.000 0.205 286 D C 2.065 178.469 176.300 0.173 0.000 0.962 286 D CA 1.985 56.144 54.000 0.265 0.000 0.849 286 D CB -0.220 40.705 40.800 0.208 0.000 0.978 286 D HN 0.612 nan 8.370 nan 0.000 0.488 287 T N -3.411 111.076 114.554 -0.110 0.000 3.023 287 T HA 0.336 4.686 4.350 -0.000 0.000 0.249 287 T C 1.731 176.010 174.700 -0.703 0.000 1.050 287 T CA 0.873 62.852 62.100 -0.201 0.000 1.088 287 T CB 0.893 69.670 68.868 -0.151 0.000 0.946 287 T HN 0.179 nan 8.240 nan 0.000 0.480 288 G N 1.631 109.763 108.800 -1.113 0.000 2.175 288 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.244 288 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.244 288 G C 0.044 174.367 174.900 -0.961 0.000 0.982 288 G CA -0.123 43.860 45.100 -1.860 0.000 0.641 288 G HN 0.558 nan 8.290 nan 0.000 0.527 289 K N 0.190 120.204 120.400 -0.643 0.000 2.355 289 K HA 0.380 4.700 4.320 -0.000 0.000 0.270 289 K C 0.566 176.894 176.600 -0.453 0.000 1.003 289 K CA -0.331 55.622 56.287 -0.558 0.000 0.957 289 K CB 0.888 33.176 32.500 -0.352 0.000 0.939 289 K HN 0.417 nan 8.250 nan 0.000 0.482 290 M N 2.959 122.291 119.600 -0.447 0.000 2.113 290 M HA 0.050 4.530 4.480 -0.000 0.000 0.352 290 M C 0.920 177.147 176.300 -0.121 0.000 1.170 290 M CA -0.082 55.017 55.300 -0.335 0.000 1.053 290 M CB 0.708 33.038 32.600 -0.450 0.000 1.601 290 M HN 0.491 nan 8.290 nan 0.000 0.459 291 K N 5.074 125.400 120.400 -0.125 0.000 2.242 291 K HA 0.164 4.483 4.320 -0.000 0.000 0.200 291 K C -0.701 175.977 176.600 0.129 0.000 1.050 291 K CA 0.960 57.246 56.287 -0.002 0.000 0.981 291 K CB 0.348 32.816 32.500 -0.053 0.000 0.795 291 K HN 0.597 nan 8.250 nan 0.000 0.477 292 F N -2.890 117.067 119.950 0.013 0.000 2.693 292 F HA 0.681 5.208 4.527 -0.000 0.000 0.309 292 F C -0.801 174.969 175.800 -0.051 0.000 1.129 292 F CA -1.096 56.805 58.000 -0.164 0.000 0.948 292 F CB 1.039 39.953 39.000 -0.144 0.000 1.315 292 F HN -0.142 nan 8.300 nan 0.000 0.447 293 G N 1.278 110.168 108.800 0.149 0.000 2.618 293 G HA2 0.467 4.427 3.960 -0.000 0.000 0.280 293 G HA3 0.467 4.427 3.960 -0.000 0.000 0.280 293 G C -2.887 172.134 174.900 0.201 0.000 1.458 293 G CA -0.681 44.474 45.100 0.091 0.000 1.224 293 G HN 1.015 nan 8.290 nan 0.000 0.576 294 Y N 2.393 122.720 120.300 0.045 0.000 2.345 294 Y HA 0.557 5.107 4.550 -0.000 0.000 0.331 294 Y C 0.146 175.978 175.900 -0.114 0.000 0.959 294 Y CA -0.983 56.983 58.100 -0.224 0.000 1.204 294 Y CB 1.816 39.983 38.460 -0.489 0.000 1.135 294 Y HN 0.491 nan 8.280 nan 0.000 0.477 295 Q N 6.422 125.826 119.800 -0.661 0.000 2.389 295 Q HA 0.167 4.506 4.340 -0.000 0.000 0.244 295 Q C 0.433 175.878 176.000 -0.926 0.000 1.056 295 Q CA -0.138 55.359 55.803 -0.510 0.000 0.908 295 Q CB 0.798 29.404 28.738 -0.221 0.000 1.273 295 Q HN 0.900 nan 8.270 nan 0.000 0.471 296 K N 1.274 121.211 120.400 -0.772 0.000 2.074 296 K HA -0.098 4.222 4.320 -0.000 0.000 0.209 296 K C 0.183 176.712 176.600 -0.119 0.000 1.048 296 K CA 1.355 57.358 56.287 -0.473 0.000 0.926 296 K CB 0.227 32.550 32.500 -0.295 0.000 0.713 296 K HN 0.376 nan 8.250 nan 0.000 0.444 297 T N 2.195 116.736 114.554 -0.021 0.000 3.226 297 T HA 0.248 4.597 4.350 -0.000 0.000 0.378 297 T C -2.728 172.033 174.700 0.103 0.000 1.380 297 T CA -1.472 60.745 62.100 0.195 0.000 1.396 297 T CB 1.551 70.652 68.868 0.388 0.000 1.044 297 T HN -0.162 nan 8.240 nan 0.000 0.586 298 P HA -0.001 nan 4.420 nan 0.000 0.266 298 P C 0.344 177.688 177.300 0.074 0.000 1.195 298 P CA 0.202 63.292 63.100 -0.017 0.000 0.768 298 P CB 0.102 31.772 31.700 -0.050 0.000 0.838 299 H N 0.778 119.765 119.070 -0.137 0.000 2.496 299 H HA -0.271 4.285 4.556 -0.000 0.000 0.323 299 H C -0.192 175.054 175.328 -0.136 0.000 1.054 299 H CA -0.032 55.909 56.048 -0.178 0.000 1.095 299 H CB -0.751 28.898 29.762 -0.188 0.000 1.595 299 H HN 0.497 nan 8.280 nan 0.000 0.388 300 D N 1.342 121.602 120.400 -0.232 0.000 2.548 300 D HA -0.059 4.581 4.640 -0.000 0.000 0.231 300 D C 0.983 176.883 176.300 -0.666 0.000 1.142 300 D CA 1.115 54.985 54.000 -0.217 0.000 0.866 300 D CB 0.613 41.366 40.800 -0.078 0.000 1.190 300 D HN 0.689 nan 8.370 nan 0.000 0.469 301 E N 1.972 121.558 120.200 -1.023 0.000 2.601 301 E HA 0.166 4.515 4.350 -0.000 0.000 0.219 301 E C -0.111 175.438 176.600 -1.753 0.000 0.964 301 E CA -0.291 55.172 56.400 -1.563 0.000 1.050 301 E CB 0.553 28.838 29.700 -2.359 0.000 1.068 301 E HN 0.609 nan 8.360 nan 0.000 0.496 302 W N 0.097 120.704 121.300 -1.155 0.000 1.762 302 W HA 0.176 4.836 4.660 -0.000 0.000 0.260 302 W C -0.060 175.848 176.519 -1.019 0.000 0.846 302 W CA -0.438 55.968 57.345 -1.564 0.000 1.326 302 W CB 0.702 28.979 29.460 -1.973 0.000 1.010 302 W HN -0.002 nan 8.180 nan 0.000 0.482 303 D N 0.808 120.906 120.400 -0.502 0.000 2.870 303 D HA -0.229 4.411 4.640 -0.000 0.000 0.228 303 D C -0.029 176.259 176.300 -0.020 0.000 1.147 303 D CA 0.748 54.495 54.000 -0.421 0.000 0.757 303 D CB -1.609 38.691 40.800 -0.833 0.000 1.091 303 D HN -0.040 nan 8.370 nan 0.000 0.429 304 F N 0.398 120.392 119.950 0.074 0.000 2.730 304 F HA 0.428 4.955 4.527 -0.000 0.000 0.333 304 F C 1.595 177.464 175.800 0.116 0.000 1.215 304 F CA -0.313 57.742 58.000 0.092 0.000 1.388 304 F CB -1.190 37.840 39.000 0.050 0.000 1.418 304 F HN 0.168 nan 8.300 nan 0.000 0.576 305 A N 0.716 123.724 122.820 0.314 0.000 2.573 305 A HA 0.169 4.488 4.320 -0.000 0.000 0.266 305 A C 1.668 179.350 177.584 0.163 0.000 1.007 305 A CA 0.714 52.917 52.037 0.277 0.000 0.878 305 A CB -0.451 18.819 19.000 0.451 0.000 0.886 305 A HN 0.695 nan 8.150 nan 0.000 0.507 306 G N 1.778 110.657 108.800 0.131 0.000 3.375 306 G HA2 0.277 4.237 3.960 -0.000 0.000 0.247 306 G HA3 0.277 4.237 3.960 -0.000 0.000 0.247 306 G C 0.761 175.689 174.900 0.046 0.000 1.343 306 G CA 0.569 45.731 45.100 0.103 0.000 1.368 306 G HN 1.632 nan 8.290 nan 0.000 0.549 307 V N -3.260 116.573 119.914 -0.134 0.000 3.596 307 V HA 0.236 4.356 4.120 -0.000 0.000 0.289 307 V C 0.390 176.353 176.094 -0.218 0.000 1.336 307 V CA -1.066 61.034 62.300 -0.333 0.000 1.137 307 V CB -0.799 30.421 31.823 -1.005 0.000 0.966 307 V HN 0.083 nan 8.190 nan 0.000 0.428 308 N N 1.055 119.739 118.700 -0.028 0.000 2.399 308 N HA 0.255 4.995 4.740 -0.000 0.000 0.250 308 N C -0.020 175.605 175.510 0.191 0.000 1.272 308 N CA -0.121 52.934 53.050 0.009 0.000 0.928 308 N CB 1.421 39.806 38.487 -0.170 0.000 1.158 308 N HN 0.214 nan 8.380 nan 0.000 0.463 309 V N 1.398 121.447 119.914 0.224 0.000 2.872 309 V HA -0.071 4.048 4.120 -0.000 0.000 0.302 309 V C 0.062 176.217 176.094 0.102 0.000 1.166 309 V CA 0.557 62.909 62.300 0.086 0.000 1.298 309 V CB -0.270 31.285 31.823 -0.447 0.000 0.894 309 V HN 0.384 nan 8.190 nan 0.000 0.509 310 I N 7.421 128.030 120.570 0.064 0.000 2.412 310 I HA 0.462 4.632 4.170 -0.000 0.000 0.296 310 I C -0.008 176.131 176.117 0.037 0.000 0.987 310 I CA -0.351 60.970 61.300 0.036 0.000 1.180 310 I CB 1.762 39.744 38.000 -0.030 0.000 1.340 310 I HN 0.528 nan 8.210 nan 0.000 0.455 311 M N 6.564 126.179 119.600 0.025 0.000 2.142 311 M HA 0.374 4.854 4.480 -0.000 0.000 0.299 311 M C -1.340 174.983 176.300 0.039 0.000 0.960 311 M CA -0.865 54.504 55.300 0.116 0.000 0.920 311 M CB 1.775 34.541 32.600 0.278 0.000 1.541 311 M HN 0.222 nan 8.290 nan 0.000 0.429 312 L N 3.071 124.315 121.223 0.035 0.000 2.331 312 L HA 0.551 4.891 4.340 -0.000 0.000 0.278 312 L C 0.405 177.217 176.870 -0.096 0.000 1.106 312 L CA 0.215 55.031 54.840 -0.039 0.000 0.824 312 L CB 0.689 42.759 42.059 0.019 0.000 1.142 312 L HN 0.825 nan 8.230 nan 0.000 0.443 313 S N 1.789 117.397 115.700 -0.153 0.000 2.651 313 S HA 0.808 5.277 4.470 -0.000 0.000 0.279 313 S C -0.850 173.701 174.600 -0.083 0.000 1.148 313 S CA -1.023 57.060 58.200 -0.196 0.000 0.837 313 S CB 2.084 64.942 63.200 -0.570 0.000 1.138 313 S HN 0.471 nan 8.310 nan 0.000 0.478 314 E N 0.429 120.610 120.200 -0.032 0.000 2.191 314 E HA 0.566 4.916 4.350 -0.000 0.000 0.263 314 E C -1.038 175.559 176.600 -0.006 0.000 0.881 314 E CA -0.559 55.830 56.400 -0.018 0.000 0.757 314 E CB 1.854 31.551 29.700 -0.004 0.000 1.147 314 E HN 0.558 nan 8.360 nan 0.000 0.414 315 Q N 0.942 120.732 119.800 -0.016 0.000 2.456 315 Q HA 0.404 4.744 4.340 -0.000 0.000 0.284 315 Q C -0.984 175.002 176.000 -0.023 0.000 1.061 315 Q CA -0.930 54.866 55.803 -0.010 0.000 0.799 315 Q CB 2.474 31.210 28.738 -0.003 0.000 1.445 315 Q HN 0.373 nan 8.270 nan 0.000 0.411 316 T N 2.057 116.596 114.554 -0.025 0.000 2.832 316 T HA 0.154 4.504 4.350 -0.000 0.000 0.296 316 T C -0.285 174.392 174.700 -0.038 0.000 0.968 316 T CA -0.463 61.619 62.100 -0.030 0.000 1.107 316 T CB 0.257 69.108 68.868 -0.028 0.000 0.916 316 T HN 0.551 nan 8.240 nan 0.000 0.517 317 D N 2.064 122.439 120.400 -0.042 0.000 2.447 317 D HA 0.181 4.821 4.640 -0.000 0.000 0.265 317 D C 1.149 177.421 176.300 -0.047 0.000 1.250 317 D CA -0.664 53.307 54.000 -0.048 0.000 1.046 317 D CB 0.661 41.430 40.800 -0.051 0.000 1.095 317 D HN 0.231 nan 8.370 nan 0.000 0.555 318 K N -1.535 118.835 120.400 -0.050 0.000 2.209 318 K HA -0.106 4.214 4.320 -0.000 0.000 0.204 318 K C 1.654 178.231 176.600 -0.040 0.000 1.048 318 K CA 1.617 57.876 56.287 -0.047 0.000 0.940 318 K CB -0.336 32.135 32.500 -0.048 0.000 0.729 318 K HN 0.712 nan 8.250 nan 0.000 0.451 319 T N -3.109 111.421 114.554 -0.039 0.000 3.129 319 T HA 0.115 4.464 4.350 -0.000 0.000 0.251 319 T C 1.222 175.903 174.700 -0.032 0.000 1.117 319 T CA 0.629 62.708 62.100 -0.035 0.000 1.034 319 T CB 0.274 69.120 68.868 -0.036 0.000 0.968 319 T HN 0.323 nan 8.240 nan 0.000 0.526 320 G N 1.401 110.181 108.800 -0.033 0.000 2.148 320 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.254 320 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.254 320 G C -0.086 174.796 174.900 -0.029 0.000 0.981 320 G CA 0.380 45.462 45.100 -0.030 0.000 0.670 320 G HN 0.867 nan 8.290 nan 0.000 0.528 321 K N 0.499 120.880 120.400 -0.032 0.000 2.258 321 K HA 0.516 4.836 4.320 -0.000 0.000 0.284 321 K C 0.510 177.091 176.600 -0.032 0.000 1.051 321 K CA -0.704 55.564 56.287 -0.032 0.000 0.923 321 K CB 0.388 32.866 32.500 -0.036 0.000 1.046 321 K HN 0.053 nan 8.250 nan 0.000 0.474 322 K N 2.910 123.293 120.400 -0.028 0.000 2.401 322 K HA 0.131 4.451 4.320 -0.000 0.000 0.278 322 K C -0.525 176.057 176.600 -0.030 0.000 1.018 322 K CA 0.400 56.671 56.287 -0.026 0.000 0.981 322 K CB 0.698 33.186 32.500 -0.020 0.000 0.933 322 K HN 0.499 nan 8.250 nan 0.000 0.477 323 R N 2.219 122.699 120.500 -0.033 0.000 2.725 323 R HA 0.304 4.643 4.340 -0.000 0.000 0.277 323 R C -0.904 175.374 176.300 -0.037 0.000 0.987 323 R CA -1.143 54.933 56.100 -0.039 0.000 0.901 323 R CB 1.603 31.871 30.300 -0.053 0.000 1.207 323 R HN 0.362 nan 8.270 nan 0.000 0.463 324 K N 3.313 123.692 120.400 -0.034 0.000 2.297 324 K HA 0.345 4.665 4.320 -0.000 0.000 0.286 324 K C -0.259 176.304 176.600 -0.062 0.000 1.053 324 K CA -0.090 56.177 56.287 -0.034 0.000 0.940 324 K CB 0.696 33.191 32.500 -0.009 0.000 1.019 324 K HN 0.400 nan 8.250 nan 0.000 0.475 325 L N 2.765 123.938 121.223 -0.083 0.000 2.309 325 L HA 0.577 4.916 4.340 -0.000 0.000 0.261 325 L C -0.485 176.286 176.870 -0.165 0.000 1.021 325 L CA -1.493 53.277 54.840 -0.116 0.000 0.823 325 L CB 1.371 43.372 42.059 -0.096 0.000 1.366 325 L HN 0.412 nan 8.230 nan 0.000 0.423 326 L N -1.557 119.548 121.223 -0.198 0.000 2.354 326 L HA 0.951 5.291 4.340 -0.000 0.000 0.264 326 L C -0.595 176.161 176.870 -0.190 0.000 1.008 326 L CA -0.161 54.543 54.840 -0.226 0.000 0.819 326 L CB 2.096 43.945 42.059 -0.351 0.000 1.339 326 L HN 0.415 nan 8.230 nan 0.000 0.420 327 T N 0.755 115.181 114.554 -0.214 0.000 2.912 327 T HA 0.514 4.864 4.350 -0.000 0.000 0.299 327 T C -1.490 173.096 174.700 -0.189 0.000 1.052 327 T CA -0.340 61.565 62.100 -0.324 0.000 0.996 327 T CB 0.913 69.265 68.868 -0.859 0.000 1.070 327 T HN 0.867 nan 8.240 nan 0.000 0.465 328 H N 2.963 121.858 119.070 -0.292 0.000 3.243 328 H HA 0.228 4.784 4.556 -0.000 0.000 0.330 328 H C -3.111 172.105 175.328 -0.187 0.000 1.269 328 H CA -1.625 54.304 56.048 -0.199 0.000 1.632 328 H CB 1.862 31.568 29.762 -0.094 0.000 1.982 328 H HN 0.289 nan 8.280 nan 0.000 0.536 329 P HA 0.096 nan 4.420 nan 0.000 0.279 329 P C -0.340 176.591 177.300 -0.616 0.000 1.318 329 P CA 0.029 62.782 63.100 -0.579 0.000 0.819 329 P CB 1.246 32.513 31.700 -0.721 0.000 0.927 330 D N 2.459 122.616 120.400 -0.404 0.000 2.312 330 D HA 0.116 4.756 4.640 -0.000 0.000 0.248 330 D C 1.675 177.873 176.300 -0.169 0.000 1.086 330 D CA -0.597 53.232 54.000 -0.285 0.000 0.948 330 D CB 1.009 41.789 40.800 -0.034 0.000 1.162 330 D HN 0.046 nan 8.370 nan 0.000 0.446 331 R N 1.441 121.887 120.500 -0.090 0.000 2.185 331 R HA -0.166 4.173 4.340 -0.000 0.000 0.247 331 R C 1.142 177.164 176.300 -0.464 0.000 1.159 331 R CA 1.124 57.188 56.100 -0.060 0.000 0.988 331 R CB -0.739 29.656 30.300 0.160 0.000 0.871 331 R HN 0.579 nan 8.270 nan 0.000 0.458 332 N N -0.523 117.803 118.700 -0.623 0.000 2.461 332 N HA -0.022 4.718 4.740 -0.000 0.000 0.188 332 N C 1.054 175.916 175.510 -1.080 0.000 1.134 332 N CA 1.069 53.264 53.050 -1.426 0.000 0.878 332 N CB 0.226 38.357 38.487 -0.594 0.000 0.972 332 N HN 0.288 nan 8.380 nan 0.000 0.456 333 G N -0.772 107.659 108.800 -0.616 0.000 2.176 333 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.232 333 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.232 333 G C -0.396 174.328 174.900 -0.293 0.000 0.986 333 G CA 0.156 44.984 45.100 -0.452 0.000 0.643 333 G HN 0.260 nan 8.290 nan 0.000 0.522 334 I N 1.006 121.398 120.570 -0.297 0.000 2.460 334 I HA 0.684 4.853 4.170 -0.000 0.000 0.298 334 I C 0.330 176.157 176.117 -0.483 0.000 0.989 334 I CA -1.482 59.564 61.300 -0.423 0.000 1.173 334 I CB 1.463 39.047 38.000 -0.694 0.000 1.338 334 I HN 0.058 nan 8.210 nan 0.000 0.456 335 V N 7.407 127.007 119.914 -0.523 0.000 2.398 335 V HA 0.484 4.604 4.120 -0.000 0.000 0.286 335 V C -1.285 174.519 176.094 -0.485 0.000 1.026 335 V CA -0.275 61.731 62.300 -0.490 0.000 0.868 335 V CB 1.251 32.708 31.823 -0.611 0.000 0.982 335 V HN 0.521 nan 8.190 nan 0.000 0.443 336 Y N 3.357 123.547 120.300 -0.183 0.000 2.409 336 Y HA 0.713 5.263 4.550 -0.000 0.000 0.339 336 Y C 0.653 176.458 175.900 -0.159 0.000 1.033 336 Y CA -0.587 57.433 58.100 -0.132 0.000 1.094 336 Y CB 2.424 40.843 38.460 -0.068 0.000 1.210 336 Y HN 0.580 nan 8.280 nan 0.000 0.456 337 T N 4.326 118.871 114.554 -0.015 0.000 2.861 337 T HA 0.673 5.023 4.350 -0.000 0.000 0.287 337 T C -1.190 173.448 174.700 -0.103 0.000 1.003 337 T CA -0.586 61.464 62.100 -0.083 0.000 0.977 337 T CB 1.103 69.907 68.868 -0.107 0.000 0.996 337 T HN 0.218 nan 8.240 nan 0.000 0.448 338 L N 1.963 123.107 121.223 -0.132 0.000 2.354 338 L HA 0.470 4.810 4.340 -0.000 0.000 0.264 338 L C 0.100 176.872 176.870 -0.163 0.000 1.008 338 L CA -0.765 53.974 54.840 -0.170 0.000 0.819 338 L CB 1.702 43.643 42.059 -0.196 0.000 1.339 338 L HN 0.601 nan 8.230 nan 0.000 0.420 339 D N 1.337 121.631 120.400 -0.177 0.000 2.450 339 D HA 0.012 4.652 4.640 -0.000 0.000 0.247 339 D C 0.721 176.912 176.300 -0.182 0.000 1.162 339 D CA -0.006 53.897 54.000 -0.162 0.000 0.879 339 D CB 1.019 41.718 40.800 -0.168 0.000 1.163 339 D HN 0.629 nan 8.370 nan 0.000 0.472 340 R N 2.441 122.888 120.500 -0.089 0.000 2.359 340 R HA 0.125 4.465 4.340 -0.000 0.000 0.231 340 R C 0.855 177.328 176.300 0.287 0.000 0.913 340 R CA 0.193 56.316 56.100 0.039 0.000 1.075 340 R CB 0.264 30.447 30.300 -0.195 0.000 1.087 340 R HN 0.362 nan 8.270 nan 0.000 0.515 341 E N 1.091 121.358 120.200 0.112 0.000 2.127 341 E HA -0.033 4.317 4.350 -0.000 0.000 0.191 341 E C 0.506 177.168 176.600 0.102 0.000 0.964 341 E CA 0.875 57.359 56.400 0.140 0.000 0.832 341 E CB 0.265 29.994 29.700 0.047 0.000 0.790 341 E HN 0.521 nan 8.360 nan 0.000 0.465 342 N N -1.444 117.179 118.700 -0.129 0.000 2.143 342 N HA 0.100 4.840 4.740 -0.000 0.000 0.222 342 N C 0.971 176.073 175.510 -0.679 0.000 1.264 342 N CA 0.680 53.575 53.050 -0.259 0.000 0.897 342 N CB 1.150 39.535 38.487 -0.170 0.000 1.092 342 N HN 0.153 nan 8.380 nan 0.000 0.516 343 G N 0.060 108.200 108.800 -1.100 0.000 2.176 343 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.253 343 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.253 343 G C -0.725 173.926 174.900 -0.415 0.000 0.979 343 G CA 0.093 44.451 45.100 -1.236 0.000 0.641 343 G HN 0.408 nan 8.290 nan 0.000 0.530 344 D N 0.645 120.853 120.400 -0.321 0.000 2.581 344 D HA 0.191 4.830 4.640 -0.000 0.000 0.238 344 D C 0.926 177.156 176.300 -0.117 0.000 1.145 344 D CA -0.030 53.874 54.000 -0.160 0.000 0.866 344 D CB 0.691 41.401 40.800 -0.150 0.000 1.151 344 D HN 0.254 nan 8.370 nan 0.000 0.500 345 L N 5.096 126.298 121.223 -0.035 0.000 2.597 345 L HA -0.064 4.276 4.340 -0.000 0.000 0.271 345 L C 0.881 177.696 176.870 -0.092 0.000 1.157 345 L CA 0.335 55.096 54.840 -0.131 0.000 0.928 345 L CB 0.063 42.040 42.059 -0.138 0.000 1.216 345 L HN 0.330 nan 8.230 nan 0.000 0.481 346 I N 1.895 122.402 120.570 -0.105 0.000 2.628 346 I HA 0.117 4.287 4.170 -0.000 0.000 0.255 346 I C 0.663 176.738 176.117 -0.070 0.000 1.119 346 I CA 0.603 61.854 61.300 -0.082 0.000 1.448 346 I CB -0.741 37.207 38.000 -0.087 0.000 1.133 346 I HN 0.585 nan 8.210 nan 0.000 0.438 347 S N -0.019 115.638 115.700 -0.070 0.000 2.541 347 S HA 0.783 5.253 4.470 -0.000 0.000 0.271 347 S C -0.665 173.883 174.600 -0.087 0.000 1.133 347 S CA -0.595 57.567 58.200 -0.064 0.000 0.876 347 S CB 2.839 66.013 63.200 -0.044 0.000 1.105 347 S HN 0.236 nan 8.310 nan 0.000 0.470 348 A N 2.050 124.794 122.820 -0.126 0.000 2.876 348 A HA 0.599 4.919 4.320 -0.000 0.000 0.309 348 A C -1.628 175.812 177.584 -0.240 0.000 1.168 348 A CA -0.693 51.175 52.037 -0.281 0.000 0.762 348 A CB 0.304 19.201 19.000 -0.172 0.000 1.262 348 A HN 0.585 nan 8.150 nan 0.000 0.435 349 D N 1.774 122.032 120.400 -0.238 0.000 2.217 349 D HA 0.258 4.898 4.640 -0.000 0.000 0.243 349 D C -0.194 176.010 176.300 -0.159 0.000 1.054 349 D CA -0.171 53.756 54.000 -0.121 0.000 0.838 349 D CB 1.581 42.383 40.800 0.004 0.000 1.162 349 D HN 0.402 nan 8.370 nan 0.000 0.472 350 K N 1.538 121.892 120.400 -0.077 0.000 2.504 350 K HA -0.005 4.315 4.320 -0.000 0.000 0.278 350 K C 1.260 177.855 176.600 -0.009 0.000 1.025 350 K CA 0.064 56.312 56.287 -0.064 0.000 1.093 350 K CB 0.734 33.218 32.500 -0.027 0.000 0.873 350 K HN 0.364 nan 8.250 nan 0.000 0.483 351 L N 1.798 122.996 121.223 -0.043 0.000 2.551 351 L HA -0.065 4.275 4.340 -0.000 0.000 0.228 351 L C 0.257 177.100 176.870 -0.046 0.000 1.153 351 L CA 0.689 55.526 54.840 -0.005 0.000 0.851 351 L CB -0.134 41.927 42.059 0.004 0.000 0.959 351 L HN 0.777 nan 8.230 nan 0.000 0.451 352 D N -2.411 117.999 120.400 0.017 0.000 2.734 352 D HA 0.001 4.640 4.640 -0.000 0.000 0.224 352 D C 0.006 176.330 176.300 0.040 0.000 1.222 352 D CA -0.482 53.510 54.000 -0.013 0.000 0.761 352 D CB 0.986 41.825 40.800 0.065 0.000 1.569 352 D HN 0.027 nan 8.370 nan 0.000 0.477 353 D N 0.352 120.758 120.400 0.011 0.000 2.354 353 D HA -0.161 4.479 4.640 -0.000 0.000 0.216 353 D C 1.464 177.775 176.300 0.019 0.000 0.970 353 D CA 1.563 55.573 54.000 0.016 0.000 0.905 353 D CB -0.489 40.319 40.800 0.012 0.000 0.903 353 D HN 0.398 nan 8.370 nan 0.000 0.508 354 T N -2.405 112.191 114.554 0.070 0.000 3.148 354 T HA 0.098 4.448 4.350 -0.000 0.000 0.253 354 T C 0.908 175.556 174.700 -0.087 0.000 1.134 354 T CA -0.390 61.733 62.100 0.039 0.000 1.051 354 T CB -0.488 68.453 68.868 0.122 0.000 0.959 354 T HN -0.016 nan 8.240 nan 0.000 0.525 355 V N 4.275 124.103 119.914 -0.143 0.000 2.694 355 V HA 0.116 4.236 4.120 -0.000 0.000 0.306 355 V C 1.228 177.131 176.094 -0.318 0.000 1.054 355 V CA 0.734 62.806 62.300 -0.379 0.000 1.161 355 V CB 0.055 31.651 31.823 -0.377 0.000 0.916 355 V HN 0.842 nan 8.190 nan 0.000 0.490 356 N N 1.968 120.409 118.700 -0.431 0.000 1.986 356 N HA -0.032 4.708 4.740 -0.000 0.000 0.227 356 N C 0.990 176.369 175.510 -0.219 0.000 1.387 356 N CA 0.549 53.410 53.050 -0.315 0.000 0.810 356 N CB 0.549 38.710 38.487 -0.543 0.000 1.140 356 N HN 0.474 nan 8.380 nan 0.000 0.504 357 V N -1.351 118.281 119.914 -0.469 0.000 2.568 357 V HA 0.111 4.231 4.120 -0.000 0.000 0.253 357 V C -0.039 175.908 176.094 -0.246 0.000 1.072 357 V CA 0.894 62.893 62.300 -0.502 0.000 1.084 357 V CB -1.128 29.917 31.823 -1.297 0.000 0.676 357 V HN 0.074 nan 8.190 nan 0.000 0.469 358 F N -0.555 119.323 119.950 -0.120 0.000 2.551 358 F HA 0.674 5.200 4.527 -0.000 0.000 0.316 358 F C 1.005 176.792 175.800 -0.022 0.000 1.089 358 F CA -2.166 55.807 58.000 -0.044 0.000 0.915 358 F CB 1.726 40.680 39.000 -0.076 0.000 1.186 358 F HN -0.336 nan 8.300 nan 0.000 0.456 359 K N 0.064 120.593 120.400 0.214 0.000 2.057 359 K HA 0.011 4.331 4.320 -0.000 0.000 0.206 359 K C 0.697 177.354 176.600 0.095 0.000 1.050 359 K CA 1.165 57.526 56.287 0.122 0.000 0.935 359 K CB 0.097 32.654 32.500 0.096 0.000 0.715 359 K HN 0.731 nan 8.250 nan 0.000 0.439 360 T N -1.150 113.461 114.554 0.096 0.000 2.700 360 T HA 0.291 4.641 4.350 -0.000 0.000 0.307 360 T C -1.907 172.789 174.700 -0.007 0.000 1.580 360 T CA -0.713 61.414 62.100 0.045 0.000 0.992 360 T CB 1.390 70.273 68.868 0.025 0.000 1.577 360 T HN -0.232 nan 8.240 nan 0.000 0.496 361 V N 3.238 123.136 119.914 -0.026 0.000 2.347 361 V HA 0.389 4.509 4.120 -0.000 0.000 0.280 361 V C 0.042 176.134 176.094 -0.004 0.000 1.021 361 V CA -0.835 61.440 62.300 -0.043 0.000 0.847 361 V CB 1.363 33.176 31.823 -0.016 0.000 0.990 361 V HN 0.849 nan 8.190 nan 0.000 0.444 362 D N 4.012 124.414 120.400 0.005 0.000 2.382 362 D HA 0.086 4.725 4.640 -0.000 0.000 0.259 362 D C 1.021 177.350 176.300 0.049 0.000 1.224 362 D CA 0.219 54.234 54.000 0.024 0.000 0.894 362 D CB 1.272 42.090 40.800 0.029 0.000 1.127 362 D HN 0.483 nan 8.370 nan 0.000 0.487 363 L N 3.440 124.681 121.223 0.031 0.000 2.376 363 L HA -0.125 4.215 4.340 -0.000 0.000 0.219 363 L C 1.950 178.853 176.870 0.056 0.000 1.133 363 L CA 0.835 55.695 54.840 0.032 0.000 0.816 363 L CB 0.005 42.064 42.059 0.000 0.000 0.933 363 L HN 0.245 nan 8.230 nan 0.000 0.449 364 K N -0.782 119.645 120.400 0.045 0.000 2.190 364 K HA -0.025 4.294 4.320 -0.000 0.000 0.202 364 K C 2.156 178.789 176.600 0.056 0.000 1.045 364 K CA 1.324 57.620 56.287 0.015 0.000 0.976 364 K CB -0.145 32.335 32.500 -0.032 0.000 0.849 364 K HN 0.202 nan 8.250 nan 0.000 0.468 365 T N -2.613 111.999 114.554 0.096 0.000 3.014 365 T HA 0.093 4.443 4.350 -0.000 0.000 0.263 365 T C 1.608 176.510 174.700 0.337 0.000 1.078 365 T CA 0.968 63.178 62.100 0.183 0.000 1.135 365 T CB -0.013 68.920 68.868 0.109 0.000 0.895 365 T HN 0.316 nan 8.240 nan 0.000 0.480 366 G N 1.151 110.104 108.800 0.255 0.000 2.176 366 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.253 366 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.253 366 G C -0.109 174.923 174.900 0.220 0.000 0.979 366 G CA 0.215 45.491 45.100 0.294 0.000 0.641 366 G HN 0.718 nan 8.290 nan 0.000 0.530 367 L N 1.732 123.022 121.223 0.112 0.000 2.334 367 L HA 0.558 4.897 4.340 -0.000 0.000 0.277 367 L C -1.772 175.051 176.870 -0.078 0.000 1.075 367 L CA -2.343 52.501 54.840 0.006 0.000 0.804 367 L CB 1.064 43.124 42.059 0.001 0.000 1.174 367 L HN -0.069 nan 8.230 nan 0.000 0.438 368 P HA 0.122 nan 4.420 nan 0.000 0.287 368 P C -0.558 176.537 177.300 -0.342 0.000 1.281 368 P CA -0.363 62.443 63.100 -0.490 0.000 0.781 368 P CB 1.337 32.274 31.700 -1.271 0.000 0.903 369 V N 5.639 125.457 119.914 -0.160 0.000 2.403 369 V HA 0.065 4.185 4.120 -0.000 0.000 0.265 369 V C 1.351 177.503 176.094 0.097 0.000 1.034 369 V CA 0.000 62.290 62.300 -0.017 0.000 1.036 369 V CB -0.994 30.843 31.823 0.024 0.000 1.032 369 V HN 0.456 nan 8.190 nan 0.000 0.478 370 R N 3.130 123.718 120.500 0.147 0.000 2.491 370 R HA 0.184 4.524 4.340 -0.000 0.000 0.283 370 R C -0.028 176.418 176.300 0.244 0.000 1.072 370 R CA -0.299 55.986 56.100 0.310 0.000 1.048 370 R CB 0.493 30.973 30.300 0.300 0.000 0.983 370 R HN 0.668 nan 8.270 nan 0.000 0.450 371 D N 4.034 124.603 120.400 0.282 0.000 2.443 371 D HA 0.173 4.813 4.640 -0.000 0.000 0.221 371 D C -1.875 174.530 176.300 0.176 0.000 1.097 371 D CA -2.458 51.664 54.000 0.204 0.000 0.865 371 D CB 1.622 42.575 40.800 0.254 0.000 1.034 371 D HN 0.193 nan 8.370 nan 0.000 0.511 372 P HA -0.023 nan 4.420 nan 0.000 0.234 372 P C 1.041 178.334 177.300 -0.011 0.000 1.167 372 P CA 0.293 63.434 63.100 0.068 0.000 0.763 372 P CB 0.536 32.250 31.700 0.022 0.000 0.835 373 E N -0.952 119.174 120.200 -0.124 0.000 2.153 373 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 373 E C 0.368 176.715 176.600 -0.422 0.000 0.988 373 E CA 1.172 57.354 56.400 -0.362 0.000 0.811 373 E CB -0.257 29.068 29.700 -0.626 0.000 0.746 373 E HN 0.435 nan 8.360 nan 0.000 0.466 374 Y N -0.567 119.828 120.300 0.159 0.000 2.756 374 Y HA 0.382 4.932 4.550 -0.000 0.000 0.300 374 Y C 1.023 177.140 175.900 0.361 0.000 1.113 374 Y CA -0.195 58.027 58.100 0.204 0.000 1.291 374 Y CB 0.436 38.960 38.460 0.107 0.000 1.175 374 Y HN -0.157 nan 8.280 nan 0.000 0.534 375 G N -0.056 108.958 108.800 0.356 0.000 2.568 375 G HA2 0.568 4.528 3.960 -0.000 0.000 0.293 375 G HA3 0.568 4.528 3.960 -0.000 0.000 0.293 375 G C -0.372 174.513 174.900 -0.025 0.000 1.347 375 G CA -0.419 44.806 45.100 0.209 0.000 1.039 375 G HN 0.127 nan 8.290 nan 0.000 0.523 376 T N -2.845 111.511 114.554 -0.331 0.000 2.901 376 T HA 0.821 5.171 4.350 -0.000 0.000 0.293 376 T C -0.631 174.017 174.700 -0.086 0.000 1.084 376 T CA -0.850 61.103 62.100 -0.244 0.000 1.008 376 T CB 2.372 70.774 68.868 -0.777 0.000 1.170 376 T HN 1.178 nan 8.240 nan 0.000 0.509 377 R N 0.763 121.322 120.500 0.099 0.000 2.825 377 R HA 0.387 4.727 4.340 -0.000 0.000 0.274 377 R C -0.844 175.557 176.300 0.170 0.000 1.026 377 R CA -1.162 55.000 56.100 0.102 0.000 0.867 377 R CB 0.568 30.907 30.300 0.065 0.000 1.268 377 R HN 0.492 nan 8.270 nan 0.000 0.491 378 M N 1.901 121.578 119.600 0.129 0.000 2.252 378 M HA 0.020 4.500 4.480 -0.000 0.000 0.321 378 M C -0.091 176.302 176.300 0.155 0.000 1.070 378 M CA 1.276 56.660 55.300 0.140 0.000 1.143 378 M CB -0.579 32.084 32.600 0.105 0.000 1.498 378 M HN 0.834 nan 8.290 nan 0.000 0.445 379 D N -0.252 120.245 120.400 0.161 0.000 2.983 379 D HA -0.216 4.423 4.640 -0.000 0.000 0.225 379 D C 0.006 176.437 176.300 0.218 0.000 1.174 379 D CA 1.150 55.243 54.000 0.155 0.000 0.831 379 D CB -1.623 39.243 40.800 0.111 0.000 1.104 379 D HN 0.780 nan 8.370 nan 0.000 0.421 380 H N -0.525 118.613 119.070 0.114 0.000 2.894 380 H HA 0.429 4.985 4.556 -0.000 0.000 0.367 380 H C -1.009 174.420 175.328 0.168 0.000 1.144 380 H CA -0.870 55.246 56.048 0.114 0.000 1.180 380 H CB 1.858 31.673 29.762 0.088 0.000 1.758 380 H HN -0.108 nan 8.280 nan 0.000 0.541 381 K N 3.312 123.501 120.400 -0.352 0.000 2.389 381 K HA 0.367 4.687 4.320 -0.000 0.000 0.261 381 K C -0.234 176.047 176.600 -0.532 0.000 1.014 381 K CA -0.575 55.566 56.287 -0.243 0.000 0.920 381 K CB 0.875 33.315 32.500 -0.100 0.000 1.149 381 K HN 0.686 nan 8.250 nan 0.000 0.444 382 G N 1.904 110.525 108.800 -0.299 0.000 2.539 382 G HA2 0.380 4.339 3.960 -0.000 0.000 0.258 382 G HA3 0.380 4.339 3.960 -0.000 0.000 0.258 382 G C -0.666 174.324 174.900 0.150 0.000 1.202 382 G CA -0.297 44.772 45.100 -0.051 0.000 0.851 382 G HN 0.630 nan 8.290 nan 0.000 0.556 383 T N -1.852 112.845 114.554 0.238 0.000 2.923 383 T HA 0.456 4.806 4.350 -0.000 0.000 0.311 383 T C -0.380 174.525 174.700 0.342 0.000 1.183 383 T CA -0.529 61.726 62.100 0.259 0.000 1.020 383 T CB 2.022 70.977 68.868 0.145 0.000 1.165 383 T HN 0.601 nan 8.240 nan 0.000 0.482 384 D N 0.337 120.953 120.400 0.361 0.000 2.911 384 D HA -0.138 4.502 4.640 -0.000 0.000 0.227 384 D C -0.157 176.203 176.300 0.099 0.000 1.164 384 D CA 0.539 54.715 54.000 0.295 0.000 0.782 384 D CB -0.878 40.053 40.800 0.219 0.000 1.094 384 D HN 0.670 nan 8.370 nan 0.000 0.425 385 I N 1.211 121.872 120.570 0.152 0.000 2.505 385 I HA -0.008 4.162 4.170 -0.000 0.000 0.287 385 I C 0.959 176.994 176.117 -0.138 0.000 1.104 385 I CA 0.100 61.397 61.300 -0.005 0.000 1.387 385 I CB 0.549 38.654 38.000 0.175 0.000 1.404 385 I HN 0.022 nan 8.210 nan 0.000 0.528 386 c N 8.044 126.436 118.600 -0.346 0.000 2.351 386 c HA 0.490 5.060 4.570 -0.000 0.000 0.326 386 c C -2.064 171.620 174.090 -0.677 0.000 1.272 386 c CA -1.569 54.494 56.329 -0.444 0.000 1.650 386 c CB 1.019 43.290 42.510 -0.398 0.000 2.257 386 c HN 0.471 nan 8.230 nan 0.000 0.505 387 P HA 0.218 nan 4.420 nan 0.000 0.274 387 P C -0.098 177.200 177.300 -0.003 0.000 1.246 387 P CA -0.022 62.691 63.100 -0.645 0.000 0.795 387 P CB 0.516 31.752 31.700 -0.772 0.000 1.006 388 S N 0.293 116.062 115.700 0.116 0.000 2.634 388 S HA 0.351 4.821 4.470 -0.000 0.000 0.261 388 S C 1.578 176.397 174.600 0.366 0.000 1.271 388 S CA 0.139 58.462 58.200 0.206 0.000 0.985 388 S CB -0.021 63.236 63.200 0.095 0.000 0.968 388 S HN 0.466 nan 8.310 nan 0.000 0.568 389 A N 1.351 124.382 122.820 0.352 0.000 2.009 389 A HA -0.179 4.141 4.320 -0.000 0.000 0.222 389 A C 2.229 180.078 177.584 0.442 0.000 1.175 389 A CA 2.192 54.460 52.037 0.383 0.000 0.651 389 A CB -1.154 18.110 19.000 0.440 0.000 0.815 389 A HN 0.887 nan 8.150 nan 0.000 0.459 390 M N -1.191 118.526 119.600 0.196 0.000 2.460 390 M HA 0.147 4.627 4.480 -0.000 0.000 0.263 390 M C 1.166 177.710 176.300 0.407 0.000 1.071 390 M CA 0.784 56.216 55.300 0.221 0.000 1.096 390 M CB -0.610 32.006 32.600 0.026 0.000 1.408 390 M HN 0.672 nan 8.290 nan 0.000 0.463 391 G N -0.580 108.434 108.800 0.358 0.000 2.758 391 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.686 391 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.686 391 G C -0.294 174.786 174.900 0.300 0.000 1.389 391 G CA -0.659 44.590 45.100 0.247 0.000 0.845 391 G HN 0.483 nan 8.290 nan 0.000 0.572 392 Y N 0.161 120.420 120.300 -0.068 0.000 2.546 392 Y HA 0.112 4.662 4.550 -0.000 0.000 0.287 392 Y C 1.486 177.394 175.900 0.014 0.000 1.158 392 Y CA 0.801 58.874 58.100 -0.045 0.000 1.307 392 Y CB 0.317 38.700 38.460 -0.129 0.000 1.036 392 Y HN 0.683 nan 8.280 nan 0.000 0.532 393 H N -0.667 118.435 119.070 0.054 0.000 3.046 393 H HA 0.269 4.825 4.556 -0.000 0.000 0.363 393 H C -1.402 173.878 175.328 -0.080 0.000 1.203 393 H CA -0.537 55.490 56.048 -0.034 0.000 1.169 393 H CB 1.959 31.675 29.762 -0.077 0.000 1.851 393 H HN 0.072 nan 8.280 nan 0.000 0.546 394 N N 0.639 119.322 118.700 -0.029 0.000 3.600 394 N HA -0.055 4.685 4.740 -0.000 0.000 0.351 394 N C 0.665 176.169 175.510 -0.009 0.000 1.614 394 N CA 0.072 53.044 53.050 -0.130 0.000 0.664 394 N CB 0.904 38.970 38.487 -0.701 0.000 2.485 394 N HN 0.648 nan 8.380 nan 0.000 0.629 395 Q N 0.135 119.878 119.800 -0.096 0.000 2.508 395 Q HA 0.140 4.480 4.340 -0.000 0.000 0.214 395 Q C 0.602 176.884 176.000 0.470 0.000 0.979 395 Q CA 0.924 56.850 55.803 0.205 0.000 0.911 395 Q CB -0.917 28.028 28.738 0.345 0.000 0.969 395 Q HN 0.475 nan 8.270 nan 0.000 0.504 396 G N 0.433 109.360 108.800 0.212 0.000 2.340 396 G HA2 0.031 3.991 3.960 -0.000 0.000 0.245 396 G HA3 0.031 3.991 3.960 -0.000 0.000 0.245 396 G C -1.417 173.680 174.900 0.329 0.000 1.294 396 G CA -0.374 44.915 45.100 0.314 0.000 0.896 396 G HN 0.577 nan 8.290 nan 0.000 0.522 397 H N 2.639 121.730 119.070 0.035 0.000 3.004 397 H HA 0.162 4.718 4.556 -0.000 0.000 0.267 397 H C 0.141 175.392 175.328 -0.129 0.000 1.165 397 H CA -0.724 55.062 56.048 -0.437 0.000 1.450 397 H CB 0.285 29.262 29.762 -1.309 0.000 1.488 397 H HN 0.434 nan 8.280 nan 0.000 0.478 398 D N 1.758 122.262 120.400 0.173 0.000 2.356 398 D HA 0.097 4.737 4.640 -0.000 0.000 0.258 398 D C 0.139 176.693 176.300 0.423 0.000 1.279 398 D CA 0.052 54.247 54.000 0.326 0.000 1.016 398 D CB 0.904 41.890 40.800 0.309 0.000 1.107 398 D HN 0.617 nan 8.370 nan 0.000 0.544 399 S N -1.361 114.611 115.700 0.453 0.000 2.588 399 S HA 0.586 5.056 4.470 -0.000 0.000 0.275 399 S C -1.450 173.456 174.600 0.509 0.000 1.130 399 S CA -0.942 57.545 58.200 0.478 0.000 0.855 399 S CB 1.877 65.365 63.200 0.479 0.000 1.116 399 S HN 0.493 nan 8.310 nan 0.000 0.472 400 Y N 1.127 121.581 120.300 0.257 0.000 2.386 400 Y HA 0.527 5.077 4.550 -0.000 0.000 0.334 400 Y C -1.638 174.218 175.900 -0.073 0.000 1.002 400 Y CA -0.641 57.413 58.100 -0.077 0.000 1.068 400 Y CB 1.752 39.989 38.460 -0.372 0.000 1.203 400 Y HN 0.850 nan 8.280 nan 0.000 0.443 401 D N 8.846 128.762 120.400 -0.806 0.000 2.396 401 D HA 0.273 4.913 4.640 -0.000 0.000 0.225 401 D C -2.092 173.396 176.300 -1.353 0.000 1.121 401 D CA -2.395 51.137 54.000 -0.779 0.000 0.853 401 D CB 2.177 42.955 40.800 -0.036 0.000 1.043 401 D HN 0.356 nan 8.370 nan 0.000 0.500 402 P HA -0.155 nan 4.420 nan 0.000 0.213 402 P C 1.403 178.457 177.300 -0.410 0.000 1.170 402 P CA 1.158 63.892 63.100 -0.610 0.000 0.893 402 P CB 0.440 31.924 31.700 -0.360 0.000 0.784 403 Q N -0.043 119.534 119.800 -0.371 0.000 2.118 403 Q HA -0.220 4.119 4.340 -0.000 0.000 0.211 403 Q C 1.894 177.792 176.000 -0.170 0.000 0.998 403 Q CA 2.047 57.739 55.803 -0.186 0.000 0.872 403 Q CB -0.370 28.322 28.738 -0.078 0.000 0.925 403 Q HN 0.356 nan 8.270 nan 0.000 0.414 404 K N -0.379 119.885 120.400 -0.226 0.000 2.361 404 K HA 0.057 4.377 4.320 -0.000 0.000 0.194 404 K C -0.102 176.350 176.600 -0.247 0.000 1.032 404 K CA 0.130 56.320 56.287 -0.162 0.000 1.048 404 K CB 0.609 33.078 32.500 -0.053 0.000 0.842 404 K HN 0.150 nan 8.250 nan 0.000 0.526 405 Q N 0.381 119.929 119.800 -0.420 0.000 2.475 405 Q HA -0.197 4.143 4.340 -0.000 0.000 0.280 405 Q C -0.959 174.800 176.000 -0.402 0.000 1.234 405 Q CA 0.548 56.123 55.803 -0.380 0.000 0.873 405 Q CB -2.199 26.479 28.738 -0.099 0.000 1.256 405 Q HN 0.292 nan 8.270 nan 0.000 0.475 406 L N -0.109 120.728 121.223 -0.642 0.000 2.346 406 L HA 0.638 4.978 4.340 -0.000 0.000 0.274 406 L C -0.102 176.236 176.870 -0.886 0.000 1.007 406 L CA -0.671 53.772 54.840 -0.663 0.000 0.818 406 L CB 0.903 42.534 42.059 -0.713 0.000 1.284 406 L HN -0.051 nan 8.230 nan 0.000 0.424 407 F N 2.110 121.852 119.950 -0.347 0.000 2.405 407 F HA 0.429 4.956 4.527 -0.000 0.000 0.355 407 F C -0.267 175.304 175.800 -0.382 0.000 1.121 407 F CA -0.200 57.729 58.000 -0.117 0.000 1.112 407 F CB 0.724 39.802 39.000 0.129 0.000 1.126 407 F HN 0.149 nan 8.300 nan 0.000 0.481 408 F N 4.455 124.549 119.950 0.241 0.000 2.371 408 F HA 0.434 4.961 4.527 -0.000 0.000 0.363 408 F C 0.072 175.984 175.800 0.187 0.000 1.122 408 F CA -0.606 57.486 58.000 0.154 0.000 1.129 408 F CB 0.513 39.623 39.000 0.184 0.000 1.173 408 F HN 0.211 nan 8.300 nan 0.000 0.489 409 M N 3.023 122.777 119.600 0.258 0.000 2.167 409 M HA 0.400 4.879 4.480 -0.000 0.000 0.333 409 M C 0.430 176.813 176.300 0.138 0.000 1.030 409 M CA -0.603 54.840 55.300 0.238 0.000 0.963 409 M CB 1.754 34.477 32.600 0.205 0.000 1.589 409 M HN 0.705 nan 8.290 nan 0.000 0.431 410 G N 5.004 113.872 108.800 0.114 0.000 2.365 410 G HA2 0.552 4.512 3.960 -0.000 0.000 0.293 410 G HA3 0.552 4.512 3.960 -0.000 0.000 0.293 410 G C -0.500 174.282 174.900 -0.198 0.000 1.128 410 G CA -0.282 44.811 45.100 -0.012 0.000 0.971 410 G HN 0.677 nan 8.290 nan 0.000 0.422 411 I N 2.080 122.598 120.570 -0.086 0.000 2.693 411 I HA 0.347 4.516 4.170 -0.000 0.000 0.303 411 I C -0.694 175.412 176.117 -0.018 0.000 1.025 411 I CA -1.249 59.990 61.300 -0.101 0.000 1.086 411 I CB 2.305 40.276 38.000 -0.049 0.000 1.268 411 I HN 0.337 nan 8.210 nan 0.000 0.440 412 N N 2.005 120.701 118.700 -0.007 0.000 2.430 412 N HA 0.336 5.075 4.740 -0.000 0.000 0.298 412 N C -1.035 174.367 175.510 -0.181 0.000 1.130 412 N CA -0.584 52.516 53.050 0.083 0.000 0.894 412 N CB 1.352 39.998 38.487 0.267 0.000 1.209 412 N HN 0.541 nan 8.380 nan 0.000 0.503 413 H N 0.421 119.361 119.070 -0.218 0.000 2.448 413 H HA 0.558 5.114 4.556 -0.000 0.000 0.237 413 H C -1.280 173.981 175.328 -0.110 0.000 1.391 413 H CA -0.274 55.532 56.048 -0.403 0.000 1.477 413 H CB -0.334 29.248 29.762 -0.299 0.000 1.520 413 H HN 0.451 nan 8.280 nan 0.000 0.502 414 I N 2.435 122.979 120.570 -0.044 0.000 2.686 414 I HA 0.420 4.589 4.170 -0.000 0.000 0.295 414 I C -0.556 175.591 176.117 0.050 0.000 1.114 414 I CA -0.587 60.727 61.300 0.023 0.000 1.038 414 I CB 1.988 40.051 38.000 0.106 0.000 1.238 414 I HN 0.428 nan 8.210 nan 0.000 0.420 415 c N 4.698 123.204 118.600 -0.158 0.000 3.307 415 c HA 0.892 5.462 4.570 -0.000 0.000 0.350 415 c C -0.525 173.241 174.090 -0.541 0.000 1.549 415 c CA -0.695 55.522 56.329 -0.187 0.000 1.396 415 c CB 2.138 44.634 42.510 -0.023 0.000 1.970 415 c HN 0.903 nan 8.230 nan 0.000 0.441 416 M N 0.325 119.752 119.600 -0.288 0.000 2.643 416 M HA 0.584 5.064 4.480 -0.000 0.000 0.276 416 M C -2.517 173.966 176.300 0.304 0.000 1.200 416 M CA -0.250 54.957 55.300 -0.156 0.000 0.863 416 M CB 1.893 34.567 32.600 0.122 0.000 1.711 416 M HN 0.434 nan 8.290 nan 0.000 0.492 417 D N 1.525 122.223 120.400 0.497 0.000 2.217 417 D HA 0.672 5.312 4.640 -0.000 0.000 0.248 417 D C -1.558 175.163 176.300 0.702 0.000 1.008 417 D CA 0.409 54.724 54.000 0.524 0.000 0.914 417 D CB 1.815 42.832 40.800 0.362 0.000 1.182 417 D HN 0.639 nan 8.370 nan 0.000 0.451 418 W N 1.525 123.061 121.300 0.393 0.000 3.372 418 W HA 0.415 5.075 4.660 -0.000 0.000 0.315 418 W C -1.795 174.910 176.519 0.309 0.000 1.223 418 W CA -0.763 56.810 57.345 0.379 0.000 1.202 418 W CB 1.351 30.962 29.460 0.253 0.000 1.367 418 W HN 0.495 nan 8.180 nan 0.000 0.531 419 E N 6.430 126.930 120.200 0.500 0.000 2.354 419 E HA 0.561 4.911 4.350 -0.000 0.000 0.283 419 E C -2.904 173.842 176.600 0.242 0.000 0.938 419 E CA -1.440 55.220 56.400 0.434 0.000 0.777 419 E CB 3.391 33.317 29.700 0.376 0.000 1.222 419 E HN 0.001 nan 8.360 nan 0.000 0.423 420 P HA 0.515 nan 4.420 nan 0.000 0.286 420 P C -1.219 176.161 177.300 0.132 0.000 1.292 420 P CA -0.598 62.537 63.100 0.058 0.000 0.842 420 P CB 0.568 32.342 31.700 0.124 0.000 1.207 421 F N -2.603 117.361 119.950 0.024 0.000 2.631 421 F HA 0.575 5.102 4.527 -0.000 0.000 0.308 421 F C -0.578 175.231 175.800 0.015 0.000 1.097 421 F CA -1.513 56.500 58.000 0.021 0.000 0.952 421 F CB 0.592 39.591 39.000 -0.002 0.000 1.307 421 F HN -0.028 nan 8.300 nan 0.000 0.450 422 M N 3.562 123.299 119.600 0.229 0.000 2.226 422 M HA 0.668 5.148 4.480 -0.000 0.000 0.324 422 M C -0.307 176.126 176.300 0.222 0.000 1.112 422 M CA -0.323 55.066 55.300 0.148 0.000 1.176 422 M CB 1.006 33.690 32.600 0.140 0.000 1.430 422 M HN 0.881 nan 8.290 nan 0.000 0.462 423 L N -0.043 121.286 121.223 0.177 0.000 2.866 423 L HA 0.690 5.030 4.340 -0.000 0.000 0.262 423 L C -2.960 174.077 176.870 0.277 0.000 0.986 423 L CA -1.624 53.351 54.840 0.225 0.000 0.925 423 L CB 1.573 43.785 42.059 0.255 0.000 1.484 423 L HN 0.408 nan 8.230 nan 0.000 0.414 424 P HA 0.221 nan 4.420 nan 0.000 0.279 424 P C -1.627 175.814 177.300 0.235 0.000 1.252 424 P CA -0.130 63.097 63.100 0.213 0.000 0.811 424 P CB 0.757 32.518 31.700 0.100 0.000 1.035 425 Y N 1.880 122.114 120.300 -0.111 0.000 2.404 425 Y HA 0.306 4.856 4.550 -0.000 0.000 0.344 425 Y C 0.243 175.999 175.900 -0.240 0.000 0.995 425 Y CA -0.150 57.686 58.100 -0.440 0.000 1.201 425 Y CB 0.579 38.578 38.460 -0.768 0.000 1.151 425 Y HN 0.205 nan 8.280 nan 0.000 0.517 426 R N 5.101 125.195 120.500 -0.677 0.000 2.451 426 R HA 0.576 4.915 4.340 -0.000 0.000 0.307 426 R C -0.782 174.967 176.300 -0.919 0.000 0.965 426 R CA -0.791 54.903 56.100 -0.677 0.000 0.865 426 R CB 1.346 31.469 30.300 -0.294 0.000 1.174 426 R HN 0.874 nan 8.270 nan 0.000 0.455 427 A N 1.268 123.501 122.820 -0.979 0.000 2.540 427 A HA 0.378 4.697 4.320 -0.000 0.000 0.239 427 A C 1.259 178.635 177.584 -0.346 0.000 1.061 427 A CA 1.202 52.852 52.037 -0.646 0.000 0.758 427 A CB -0.036 18.783 19.000 -0.302 0.000 0.991 427 A HN 1.011 nan 8.150 nan 0.000 0.502 428 G N 0.576 109.228 108.800 -0.248 0.000 2.217 428 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.246 428 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.246 428 G C 0.200 174.978 174.900 -0.203 0.000 0.990 428 G CA 0.568 45.553 45.100 -0.191 0.000 0.627 428 G HN 0.878 nan 8.290 nan 0.000 0.522 429 Q N -0.550 119.117 119.800 -0.221 0.000 2.297 429 Q HA 0.740 5.080 4.340 -0.000 0.000 0.268 429 Q C 0.167 176.088 176.000 -0.131 0.000 1.045 429 Q CA -1.017 54.705 55.803 -0.135 0.000 0.861 429 Q CB 0.849 29.536 28.738 -0.086 0.000 1.344 429 Q HN 0.171 nan 8.270 nan 0.000 0.452 430 F N 0.854 120.791 119.950 -0.022 0.000 2.535 430 F HA 0.097 4.624 4.527 -0.000 0.000 0.332 430 F C 0.727 176.608 175.800 0.135 0.000 1.208 430 F CA 0.557 58.561 58.000 0.007 0.000 1.330 430 F CB 0.339 39.292 39.000 -0.079 0.000 1.167 430 F HN 0.420 nan 8.300 nan 0.000 0.597 431 F N 2.122 122.126 119.950 0.090 0.000 2.632 431 F HA 0.339 4.866 4.527 -0.000 0.000 0.378 431 F C -0.675 175.105 175.800 -0.034 0.000 1.478 431 F CA -0.487 57.552 58.000 0.064 0.000 1.089 431 F CB -0.504 38.600 39.000 0.173 0.000 1.917 431 F HN 0.144 nan 8.300 nan 0.000 0.538 432 V N 0.889 120.593 119.914 -0.351 0.000 2.543 432 V HA 0.383 4.502 4.120 -0.000 0.000 0.232 432 V C 1.677 177.306 176.094 -0.775 0.000 1.087 432 V CA 0.915 62.747 62.300 -0.780 0.000 1.113 432 V CB -0.842 30.394 31.823 -0.978 0.000 0.779 432 V HN 0.749 nan 8.190 nan 0.000 0.495 433 G N 0.630 108.934 108.800 -0.826 0.000 2.298 433 G HA2 0.170 4.130 3.960 -0.000 0.000 0.287 433 G HA3 0.170 4.130 3.960 -0.000 0.000 0.287 433 G C -0.108 173.955 174.900 -1.396 0.000 1.075 433 G CA 0.572 44.819 45.100 -1.421 0.000 0.960 433 G HN 1.358 nan 8.290 nan 0.000 0.502 434 A N -1.297 120.852 122.820 -1.118 0.000 2.610 434 A HA 0.957 5.277 4.320 -0.000 0.000 0.291 434 A C -0.293 177.106 177.584 -0.308 0.000 1.086 434 A CA 0.174 51.805 52.037 -0.676 0.000 0.677 434 A CB 1.490 19.976 19.000 -0.856 0.000 1.278 434 A HN 1.016 nan 8.150 nan 0.000 0.414 435 T N 1.107 115.505 114.554 -0.260 0.000 2.879 435 T HA 0.607 4.957 4.350 -0.000 0.000 0.290 435 T C -1.179 173.221 174.700 -0.500 0.000 0.993 435 T CA -0.182 61.715 62.100 -0.339 0.000 0.975 435 T CB 0.728 69.437 68.868 -0.265 0.000 0.981 435 T HN 0.442 nan 8.240 nan 0.000 0.439 436 L N 2.207 123.118 121.223 -0.520 0.000 2.323 436 L HA 0.682 5.022 4.340 -0.000 0.000 0.265 436 L C -0.909 175.745 176.870 -0.360 0.000 1.012 436 L CA -0.941 53.777 54.840 -0.203 0.000 0.820 436 L CB 1.447 43.550 42.059 0.073 0.000 1.334 436 L HN 0.614 nan 8.230 nan 0.000 0.427 437 W N 2.790 124.191 121.300 0.170 0.000 2.781 437 W HA 0.666 5.326 4.660 -0.000 0.000 0.333 437 W C -0.846 175.758 176.519 0.141 0.000 1.047 437 W CA -0.478 56.993 57.345 0.210 0.000 1.236 437 W CB 1.967 31.599 29.460 0.285 0.000 1.394 437 W HN 0.339 nan 8.180 nan 0.000 0.466 438 M N 3.371 123.115 119.600 0.240 0.000 2.690 438 M HA 0.634 5.114 4.480 -0.000 0.000 0.302 438 M C -1.282 175.014 176.300 -0.006 0.000 1.234 438 M CA -0.888 54.331 55.300 -0.136 0.000 0.853 438 M CB 2.744 35.323 32.600 -0.034 0.000 1.748 438 M HN 0.359 nan 8.290 nan 0.000 0.469 439 Y N -2.407 117.969 120.300 0.126 0.000 2.732 439 Y HA 0.549 5.099 4.550 -0.000 0.000 0.342 439 Y C -3.296 172.529 175.900 -0.125 0.000 1.203 439 Y CA -2.700 55.365 58.100 -0.058 0.000 1.092 439 Y CB -0.584 37.761 38.460 -0.193 0.000 1.345 439 Y HN 0.354 nan 8.280 nan 0.000 0.458 440 P HA 0.211 nan 4.420 nan 0.000 0.267 440 P C 0.313 177.698 177.300 0.142 0.000 1.200 440 P CA 0.744 63.855 63.100 0.018 0.000 0.772 440 P CB 0.684 32.341 31.700 -0.071 0.000 0.855 441 G N 3.115 111.996 108.800 0.134 0.000 2.580 441 G HA2 0.204 4.164 3.960 -0.000 0.000 0.278 441 G HA3 0.204 4.164 3.960 -0.000 0.000 0.278 441 G C -1.631 173.421 174.900 0.253 0.000 1.212 441 G CA -1.334 43.750 45.100 -0.028 0.000 0.939 441 G HN 0.291 nan 8.290 nan 0.000 0.513 442 P HA -0.210 nan 4.420 nan 0.000 0.226 442 P C 1.316 178.726 177.300 0.183 0.000 1.154 442 P CA 1.854 65.064 63.100 0.183 0.000 0.901 442 P CB 0.124 31.899 31.700 0.124 0.000 0.788 443 K N -1.233 119.331 120.400 0.273 0.000 2.458 443 K HA 0.220 4.540 4.320 -0.000 0.000 0.194 443 K C 1.307 177.799 176.600 -0.180 0.000 1.024 443 K CA -0.050 56.179 56.287 -0.097 0.000 1.108 443 K CB 0.040 32.360 32.500 -0.300 0.000 0.846 443 K HN 0.168 nan 8.250 nan 0.000 0.518 444 G N 0.615 109.390 108.800 -0.041 0.000 2.557 444 G HA2 0.033 3.993 3.960 -0.000 0.000 0.302 444 G HA3 0.033 3.993 3.960 -0.000 0.000 0.302 444 G C -1.098 173.763 174.900 -0.065 0.000 1.311 444 G CA -0.418 44.642 45.100 -0.067 0.000 1.030 444 G HN 0.005 nan 8.290 nan 0.000 0.509 445 D N -0.734 119.611 120.400 -0.091 0.000 2.500 445 D HA 0.135 4.774 4.640 -0.000 0.000 0.219 445 D C 1.522 177.752 176.300 -0.118 0.000 1.137 445 D CA -0.450 53.499 54.000 -0.085 0.000 0.946 445 D CB 0.573 41.328 40.800 -0.077 0.000 1.022 445 D HN 0.411 nan 8.370 nan 0.000 0.518 446 R N 2.212 122.634 120.500 -0.130 0.000 2.083 446 R HA -0.228 4.112 4.340 -0.000 0.000 0.237 446 R C 1.983 178.110 176.300 -0.288 0.000 1.137 446 R CA 2.039 57.992 56.100 -0.245 0.000 0.951 446 R CB 0.136 30.312 30.300 -0.207 0.000 0.851 446 R HN 0.502 nan 8.270 nan 0.000 0.434 447 Q N -0.841 118.893 119.800 -0.111 0.000 2.230 447 Q HA -0.050 4.290 4.340 -0.000 0.000 0.202 447 Q C 0.940 177.007 176.000 0.112 0.000 0.963 447 Q CA 1.419 57.221 55.803 -0.001 0.000 0.866 447 Q CB 0.002 28.744 28.738 0.007 0.000 0.931 447 Q HN 0.205 nan 8.270 nan 0.000 0.452 448 N N -0.433 118.307 118.700 0.066 0.000 2.336 448 N HA 0.039 4.779 4.740 -0.000 0.000 0.189 448 N C -0.992 174.653 175.510 0.226 0.000 1.113 448 N CA 0.053 53.183 53.050 0.133 0.000 0.858 448 N CB 0.077 38.600 38.487 0.060 0.000 0.970 448 N HN 0.279 nan 8.380 nan 0.000 0.471 449 Y N -0.241 120.060 120.300 0.001 0.000 3.057 449 Y HA -0.260 4.290 4.550 -0.000 0.000 0.192 449 Y C -0.238 175.607 175.900 -0.091 0.000 1.448 449 Y CA 0.103 58.196 58.100 -0.011 0.000 1.065 449 Y CB -1.762 36.718 38.460 0.033 0.000 1.369 449 Y HN 0.016 nan 8.280 nan 0.000 0.460 450 L N -1.000 120.164 121.223 -0.097 0.000 2.357 450 L HA 0.866 5.206 4.340 -0.000 0.000 0.244 450 L C 0.966 177.692 176.870 -0.241 0.000 1.115 450 L CA -1.028 53.651 54.840 -0.268 0.000 0.919 450 L CB 1.768 43.661 42.059 -0.278 0.000 1.532 450 L HN 0.152 nan 8.230 nan 0.000 0.416 451 G N 1.197 109.819 108.800 -0.295 0.000 2.385 451 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.294 451 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.294 451 G C -0.124 174.695 174.900 -0.134 0.000 1.070 451 G CA -0.322 44.658 45.100 -0.201 0.000 1.172 451 G HN 0.264 nan 8.290 nan 0.000 0.516 452 L N 0.004 121.156 121.223 -0.119 0.000 2.693 452 L HA 0.447 4.787 4.340 -0.000 0.000 0.235 452 L C 1.441 178.386 176.870 0.125 0.000 1.127 452 L CA 1.214 56.056 54.840 0.004 0.000 0.914 452 L CB -0.100 41.928 42.059 -0.050 0.000 1.193 452 L HN 0.691 nan 8.230 nan 0.000 0.502 453 G N -0.797 108.053 108.800 0.082 0.000 2.642 453 G HA2 0.678 4.638 3.960 -0.000 0.000 0.293 453 G HA3 0.678 4.638 3.960 -0.000 0.000 0.293 453 G C -1.154 173.767 174.900 0.035 0.000 1.341 453 G CA -0.208 44.963 45.100 0.118 0.000 0.916 453 G HN 0.076 nan 8.290 nan 0.000 0.474 454 Q N -1.207 118.612 119.800 0.032 0.000 2.553 454 Q HA 0.658 4.998 4.340 -0.000 0.000 0.293 454 Q C -1.739 174.285 176.000 0.041 0.000 1.038 454 Q CA -0.824 54.987 55.803 0.014 0.000 0.777 454 Q CB 3.228 31.926 28.738 -0.067 0.000 1.487 454 Q HN 0.521 nan 8.270 nan 0.000 0.426 455 I N 0.381 121.003 120.570 0.087 0.000 2.571 455 I HA 0.438 4.608 4.170 -0.000 0.000 0.289 455 I C -1.947 174.271 176.117 0.168 0.000 1.115 455 I CA -0.108 61.243 61.300 0.085 0.000 1.045 455 I CB 1.509 39.522 38.000 0.022 0.000 1.238 455 I HN 0.470 nan 8.210 nan 0.000 0.424 456 K N 5.791 126.200 120.400 0.015 0.000 2.469 456 K HA 0.864 5.184 4.320 -0.000 0.000 0.254 456 K C -1.328 175.017 176.600 -0.425 0.000 0.939 456 K CA -1.065 55.119 56.287 -0.171 0.000 0.812 456 K CB 2.251 34.726 32.500 -0.042 0.000 1.301 456 K HN 0.603 nan 8.250 nan 0.000 0.433 457 A N 2.005 124.257 122.820 -0.946 0.000 2.290 457 A HA 0.516 4.836 4.320 -0.000 0.000 0.310 457 A C -1.555 175.858 177.584 -0.286 0.000 1.202 457 A CA -0.318 51.243 52.037 -0.794 0.000 0.837 457 A CB 0.258 18.522 19.000 -1.227 0.000 1.139 457 A HN 0.727 nan 8.150 nan 0.000 0.509 458 Y N 3.051 123.130 120.300 -0.369 0.000 2.457 458 Y HA 0.502 5.052 4.550 -0.000 0.000 0.343 458 Y C -0.800 174.991 175.900 -0.183 0.000 0.994 458 Y CA -0.957 56.929 58.100 -0.356 0.000 1.031 458 Y CB 1.650 39.873 38.460 -0.394 0.000 1.246 458 Y HN 0.673 nan 8.280 nan 0.000 0.449 459 N N 4.061 122.238 118.700 -0.873 0.000 2.417 459 N HA 0.406 5.146 4.740 -0.000 0.000 0.274 459 N C -0.311 174.582 175.510 -1.027 0.000 0.987 459 N CA 0.408 53.078 53.050 -0.633 0.000 0.912 459 N CB 2.158 40.422 38.487 -0.372 0.000 1.177 459 N HN 0.932 nan 8.380 nan 0.000 0.490 460 A N 4.276 126.773 122.820 -0.538 0.000 2.081 460 A HA 0.067 4.387 4.320 -0.000 0.000 0.214 460 A C 1.720 179.155 177.584 -0.248 0.000 1.158 460 A CA 0.485 52.266 52.037 -0.427 0.000 0.724 460 A CB -0.055 18.932 19.000 -0.022 0.000 0.826 460 A HN 0.654 nan 8.150 nan 0.000 0.463 461 I N 0.552 121.000 120.570 -0.203 0.000 2.339 461 I HA -0.106 4.064 4.170 -0.000 0.000 0.245 461 I C 2.596 178.610 176.117 -0.170 0.000 1.096 461 I CA 2.158 63.370 61.300 -0.147 0.000 1.408 461 I CB -1.751 36.189 38.000 -0.100 0.000 1.092 461 I HN 0.465 nan 8.210 nan 0.000 0.423 462 T N -1.416 113.008 114.554 -0.217 0.000 3.085 462 T HA -0.016 4.334 4.350 -0.000 0.000 0.263 462 T C 0.726 175.308 174.700 -0.196 0.000 1.127 462 T CA 0.686 62.678 62.100 -0.180 0.000 1.103 462 T CB -0.579 68.194 68.868 -0.158 0.000 0.921 462 T HN 0.390 nan 8.240 nan 0.000 0.510 463 N N 0.489 119.008 118.700 -0.301 0.000 2.782 463 N HA -0.143 4.597 4.740 -0.000 0.000 0.251 463 N C -0.747 174.618 175.510 -0.241 0.000 1.101 463 N CA 0.909 53.817 53.050 -0.237 0.000 0.764 463 N CB -1.730 36.715 38.487 -0.070 0.000 1.122 463 N HN 0.670 nan 8.380 nan 0.000 0.561 464 E N -0.399 119.579 120.200 -0.369 0.000 2.212 464 E HA 0.380 4.730 4.350 -0.000 0.000 0.268 464 E C -0.845 175.543 176.600 -0.353 0.000 0.902 464 E CA -0.810 55.457 56.400 -0.222 0.000 0.779 464 E CB 1.036 30.664 29.700 -0.120 0.000 1.172 464 E HN 0.136 nan 8.360 nan 0.000 0.409 465 Y N 2.045 122.334 120.300 -0.018 0.000 2.335 465 Y HA 0.091 4.641 4.550 -0.000 0.000 0.331 465 Y C 1.530 177.367 175.900 -0.105 0.000 1.094 465 Y CA -0.314 57.750 58.100 -0.060 0.000 1.253 465 Y CB 0.762 39.202 38.460 -0.034 0.000 1.203 465 Y HN 0.395 nan 8.280 nan 0.000 0.508 466 K N 3.823 124.169 120.400 -0.089 0.000 2.025 466 K HA -0.078 4.242 4.320 -0.000 0.000 0.207 466 K C -0.207 176.482 176.600 0.148 0.000 1.049 466 K CA 1.321 57.600 56.287 -0.014 0.000 0.933 466 K CB 0.160 32.632 32.500 -0.047 0.000 0.714 466 K HN 0.836 nan 8.250 nan 0.000 0.438 467 W N -0.144 121.229 121.300 0.123 0.000 3.005 467 W HA 0.347 5.007 4.660 -0.001 0.000 0.343 467 W C -1.427 175.090 176.519 -0.004 0.000 1.243 467 W CA -0.926 56.436 57.345 0.029 0.000 1.186 467 W CB 0.355 29.828 29.460 0.021 0.000 1.453 467 W HN -0.092 nan 8.180 nan 0.000 0.575 468 Q N 0.797 120.741 119.800 0.239 0.000 2.575 468 Q HA 0.639 4.979 4.340 -0.000 0.000 0.290 468 Q C -1.797 174.092 176.000 -0.186 0.000 0.963 468 Q CA -0.932 54.922 55.803 0.085 0.000 0.783 468 Q CB 3.332 32.015 28.738 -0.091 0.000 1.467 468 Q HN 0.558 nan 8.270 nan 0.000 0.402 469 H N 0.057 119.217 119.070 0.149 0.000 3.068 469 H HA 0.414 4.970 4.556 -0.000 0.000 0.342 469 H C -1.006 174.334 175.328 0.020 0.000 1.284 469 H CA -0.620 55.483 56.048 0.092 0.000 1.181 469 H CB 1.859 31.707 29.762 0.143 0.000 1.898 469 H HN 0.583 nan 8.280 nan 0.000 0.540 470 M N 1.248 120.932 119.600 0.140 0.000 2.444 470 M HA 0.326 4.806 4.480 -0.000 0.000 0.319 470 M C 0.015 176.343 176.300 0.047 0.000 1.183 470 M CA -0.392 54.920 55.300 0.020 0.000 1.032 470 M CB 1.517 34.079 32.600 -0.063 0.000 1.569 470 M HN 0.466 nan 8.290 nan 0.000 0.468 471 E N 0.540 120.758 120.200 0.030 0.000 2.317 471 E HA 0.310 4.659 4.350 -0.000 0.000 0.270 471 E C 0.182 176.772 176.600 -0.016 0.000 0.885 471 E CA -0.393 56.047 56.400 0.068 0.000 0.760 471 E CB 2.729 32.536 29.700 0.179 0.000 1.227 471 E HN 0.586 nan 8.360 nan 0.000 0.434 472 R N 1.438 121.895 120.500 -0.070 0.000 2.096 472 R HA -0.080 4.260 4.340 -0.000 0.000 0.240 472 R C 0.083 176.106 176.300 -0.462 0.000 1.139 472 R CA 1.674 57.584 56.100 -0.316 0.000 0.952 472 R CB 0.157 30.228 30.300 -0.382 0.000 0.854 472 R HN 0.249 nan 8.270 nan 0.000 0.436 473 F N -0.852 119.134 119.950 0.060 0.000 2.579 473 F HA 0.356 4.883 4.527 -0.000 0.000 0.324 473 F C 0.294 176.234 175.800 0.234 0.000 1.058 473 F CA -1.046 57.040 58.000 0.144 0.000 0.944 473 F CB 1.754 40.871 39.000 0.196 0.000 1.245 473 F HN -0.194 nan 8.300 nan 0.000 0.477 474 S N 0.812 116.852 115.700 0.568 0.000 2.573 474 S HA 0.112 4.582 4.470 -0.000 0.000 0.297 474 S C -0.252 174.642 174.600 0.490 0.000 1.280 474 S CA -0.539 57.967 58.200 0.509 0.000 1.061 474 S CB 0.158 63.785 63.200 0.712 0.000 0.812 474 S HN 0.342 nan 8.310 nan 0.000 0.500 475 V N 5.433 125.566 119.914 0.366 0.000 2.338 475 V HA 0.051 4.171 4.120 -0.000 0.000 0.255 475 V C 0.849 177.165 176.094 0.370 0.000 1.082 475 V CA -0.154 62.366 62.300 0.368 0.000 0.951 475 V CB -0.232 31.745 31.823 0.256 0.000 1.102 475 V HN 1.033 nan 8.190 nan 0.000 0.489 476 W N 3.862 125.297 121.300 0.224 0.000 2.630 476 W HA 0.131 4.791 4.660 -0.000 0.000 0.271 476 W C 1.587 178.271 176.519 0.276 0.000 1.244 476 W CA 0.722 58.196 57.345 0.214 0.000 1.353 476 W CB 0.570 30.152 29.460 0.204 0.000 1.080 476 W HN 0.724 nan 8.180 nan 0.000 0.594 477 G N 0.636 109.722 108.800 0.476 0.000 3.189 477 G HA2 0.359 4.318 3.960 -0.000 0.000 0.225 477 G HA3 0.359 4.318 3.960 -0.000 0.000 0.225 477 G C 0.560 175.728 174.900 0.447 0.000 1.159 477 G CA 0.432 45.812 45.100 0.467 0.000 0.763 477 G HN 0.359 nan 8.290 nan 0.000 0.549 478 G N -0.605 108.413 108.800 0.363 0.000 2.796 478 G HA2 0.262 4.222 3.960 -0.000 0.000 0.571 478 G HA3 0.262 4.222 3.960 -0.000 0.000 0.571 478 G C -0.055 175.100 174.900 0.424 0.000 1.370 478 G CA 0.095 45.415 45.100 0.365 0.000 0.856 478 G HN 1.446 nan 8.290 nan 0.000 0.538 479 T N -2.728 112.070 114.554 0.408 0.000 2.887 479 T HA 0.802 5.152 4.350 -0.000 0.000 0.292 479 T C -0.821 174.137 174.700 0.431 0.000 1.087 479 T CA -0.137 62.227 62.100 0.440 0.000 1.009 479 T CB 2.145 71.249 68.868 0.395 0.000 1.203 479 T HN 2.137 nan 8.240 nan 0.000 0.518 480 L N 1.113 122.595 121.223 0.432 0.000 2.410 480 L HA 0.894 5.234 4.340 -0.000 0.000 0.270 480 L C -0.780 176.298 176.870 0.346 0.000 0.983 480 L CA -0.609 54.480 54.840 0.415 0.000 0.822 480 L CB 1.501 43.802 42.059 0.403 0.000 1.285 480 L HN 1.195 nan 8.230 nan 0.000 0.409 481 A N 2.567 125.576 122.820 0.316 0.000 2.355 481 A HA 0.922 5.241 4.320 -0.000 0.000 0.324 481 A C -0.323 177.323 177.584 0.103 0.000 1.117 481 A CA 0.141 52.298 52.037 0.200 0.000 0.785 481 A CB 1.383 20.598 19.000 0.358 0.000 1.254 481 A HN 0.899 nan 8.150 nan 0.000 0.453 482 T N -2.413 112.142 114.554 0.002 0.000 2.887 482 T HA 0.637 4.986 4.350 -0.000 0.000 0.292 482 T C 0.786 175.424 174.700 -0.103 0.000 1.087 482 T CA 0.098 62.086 62.100 -0.187 0.000 1.009 482 T CB 1.421 70.261 68.868 -0.046 0.000 1.203 482 T HN 1.437 nan 8.240 nan 0.000 0.518 483 A N 0.211 122.924 122.820 -0.179 0.000 2.119 483 A HA 0.324 4.644 4.320 -0.000 0.000 0.217 483 A C 2.191 179.793 177.584 0.030 0.000 1.153 483 A CA 1.226 53.283 52.037 0.034 0.000 0.692 483 A CB -1.316 17.702 19.000 0.030 0.000 0.799 483 A HN 1.209 nan 8.150 nan 0.000 0.458 484 G N -0.917 107.874 108.800 -0.014 0.000 2.708 484 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.210 484 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.210 484 G C 0.665 175.549 174.900 -0.028 0.000 1.141 484 G CA 0.616 45.705 45.100 -0.019 0.000 0.788 484 G HN 0.533 nan 8.290 nan 0.000 0.531 485 N N -1.924 116.770 118.700 -0.011 0.000 2.869 485 N HA -0.119 4.621 4.740 -0.000 0.000 0.249 485 N C -0.891 174.556 175.510 -0.106 0.000 1.104 485 N CA 0.500 53.538 53.050 -0.020 0.000 0.760 485 N CB -0.877 37.598 38.487 -0.020 0.000 1.108 485 N HN 0.172 nan 8.380 nan 0.000 0.555 486 L N 0.658 121.782 121.223 -0.165 0.000 2.381 486 L HA 0.641 4.981 4.340 -0.000 0.000 0.268 486 L C -0.349 176.318 176.870 -0.339 0.000 0.997 486 L CA -0.900 53.740 54.840 -0.333 0.000 0.818 486 L CB 1.988 43.787 42.059 -0.433 0.000 1.310 486 L HN -0.106 nan 8.230 nan 0.000 0.416 487 V N 4.174 123.848 119.914 -0.400 0.000 2.443 487 V HA 0.566 4.686 4.120 -0.000 0.000 0.293 487 V C -0.945 175.087 176.094 -0.102 0.000 1.021 487 V CA -0.320 61.826 62.300 -0.256 0.000 0.848 487 V CB 1.271 32.824 31.823 -0.450 0.000 0.998 487 V HN 0.523 nan 8.190 nan 0.000 0.424 488 F N 7.460 127.516 119.950 0.178 0.000 2.397 488 F HA 0.816 5.342 4.527 -0.000 0.000 0.331 488 F C -0.114 175.935 175.800 0.417 0.000 1.090 488 F CA -0.128 58.010 58.000 0.229 0.000 1.065 488 F CB 1.678 40.752 39.000 0.122 0.000 1.184 488 F HN 0.688 nan 8.300 nan 0.000 0.499 489 Y N -0.586 119.943 120.300 0.382 0.000 2.620 489 Y HA 0.694 5.244 4.550 -0.000 0.000 0.331 489 Y C -0.602 175.478 175.900 0.300 0.000 1.173 489 Y CA -1.841 56.455 58.100 0.326 0.000 1.076 489 Y CB 0.554 39.196 38.460 0.302 0.000 1.336 489 Y HN 0.740 nan 8.280 nan 0.000 0.459 490 G N 0.473 109.443 108.800 0.283 0.000 2.477 490 G HA2 0.585 4.545 3.960 -0.000 0.000 0.304 490 G HA3 0.585 4.545 3.960 -0.000 0.000 0.304 490 G C -0.847 174.224 174.900 0.285 0.000 1.175 490 G CA -0.359 44.856 45.100 0.191 0.000 0.907 490 G HN 1.039 nan 8.290 nan 0.000 0.509 491 T N -1.337 113.357 114.554 0.234 0.000 2.916 491 T HA 0.411 4.761 4.350 -0.000 0.000 0.292 491 T C 1.214 176.043 174.700 0.216 0.000 1.055 491 T CA -0.833 61.448 62.100 0.302 0.000 1.009 491 T CB 1.684 70.754 68.868 0.338 0.000 1.118 491 T HN 0.182 nan 8.240 nan 0.000 0.497 492 L N 0.766 122.122 121.223 0.222 0.000 2.275 492 L HA -0.005 4.335 4.340 -0.000 0.000 0.215 492 L C 1.617 178.460 176.870 -0.045 0.000 1.119 492 L CA 1.136 56.015 54.840 0.064 0.000 0.790 492 L CB -0.409 41.651 42.059 0.001 0.000 0.919 492 L HN 0.786 nan 8.230 nan 0.000 0.443 493 D N -0.728 119.702 120.400 0.048 0.000 2.328 493 D HA 0.067 4.707 4.640 -0.000 0.000 0.226 493 D C 1.241 177.411 176.300 -0.217 0.000 1.066 493 D CA 0.662 54.668 54.000 0.009 0.000 0.861 493 D CB 0.105 41.023 40.800 0.197 0.000 0.912 493 D HN 0.184 nan 8.370 nan 0.000 0.521 494 G N -0.352 108.309 108.800 -0.232 0.000 2.167 494 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.194 494 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.194 494 G C -0.536 173.992 174.900 -0.619 0.000 1.027 494 G CA -0.598 44.275 45.100 -0.379 0.000 0.717 494 G HN 0.223 nan 8.290 nan 0.000 0.501 495 F N -0.475 119.476 119.950 0.002 0.000 2.508 495 F HA 0.689 5.216 4.527 -0.000 0.000 0.325 495 F C 0.535 176.300 175.800 -0.058 0.000 1.090 495 F CA -1.277 56.685 58.000 -0.062 0.000 0.945 495 F CB 1.746 40.681 39.000 -0.109 0.000 1.156 495 F HN 0.038 nan 8.300 nan 0.000 0.463 496 L N 3.456 124.746 121.223 0.112 0.000 2.312 496 L HA 0.486 4.826 4.340 -0.000 0.000 0.281 496 L C -0.762 176.135 176.870 0.045 0.000 1.070 496 L CA -0.373 54.516 54.840 0.081 0.000 0.805 496 L CB 1.156 43.260 42.059 0.075 0.000 1.174 496 L HN 0.693 nan 8.230 nan 0.000 0.434 497 K N 3.195 123.560 120.400 -0.057 0.000 2.426 497 K HA 0.711 5.031 4.320 -0.000 0.000 0.251 497 K C -1.339 175.278 176.600 0.028 0.000 0.941 497 K CA -0.663 55.556 56.287 -0.115 0.000 0.808 497 K CB 2.358 34.569 32.500 -0.482 0.000 1.265 497 K HN 0.602 nan 8.250 nan 0.000 0.432 498 A N 2.883 125.756 122.820 0.088 0.000 2.332 498 A HA 0.533 4.853 4.320 -0.000 0.000 0.300 498 A C -0.792 176.712 177.584 -0.134 0.000 1.153 498 A CA -0.707 51.211 52.037 -0.199 0.000 0.764 498 A CB 0.755 19.520 19.000 -0.392 0.000 1.174 498 A HN 0.677 nan 8.150 nan 0.000 0.467 499 R N 1.531 121.950 120.500 -0.135 0.000 2.720 499 R HA 0.330 4.670 4.340 -0.000 0.000 0.272 499 R C -0.271 175.898 176.300 -0.218 0.000 0.991 499 R CA -0.903 55.111 56.100 -0.143 0.000 1.010 499 R CB 1.259 31.514 30.300 -0.074 0.000 1.141 499 R HN 0.836 nan 8.270 nan 0.000 0.494 500 N N 0.539 119.099 118.700 -0.233 0.000 2.488 500 N HA -0.042 4.698 4.740 -0.000 0.000 0.274 500 N C 0.523 175.949 175.510 -0.140 0.000 1.111 500 N CA 0.203 53.145 53.050 -0.181 0.000 0.974 500 N CB 1.382 39.776 38.487 -0.155 0.000 1.089 500 N HN 0.653 nan 8.380 nan 0.000 0.465 501 S N 2.928 118.604 115.700 -0.041 0.000 2.377 501 S HA -0.103 4.366 4.470 -0.000 0.000 0.223 501 S C 0.935 175.859 174.600 0.539 0.000 1.030 501 S CA 0.718 59.004 58.200 0.143 0.000 0.970 501 S CB -0.091 63.018 63.200 -0.151 0.000 0.830 501 S HN 0.640 nan 8.310 nan 0.000 0.473 502 D N 2.108 122.702 120.400 0.323 0.000 2.149 502 D HA -0.093 4.547 4.640 -0.000 0.000 0.198 502 D C 2.196 178.691 176.300 0.326 0.000 0.990 502 D CA 2.050 56.255 54.000 0.342 0.000 0.839 502 D CB -0.544 40.361 40.800 0.174 0.000 0.948 502 D HN 0.772 nan 8.370 nan 0.000 0.460 503 T N -4.094 110.461 114.554 0.002 0.000 3.018 503 T HA 0.373 4.723 4.350 -0.000 0.000 0.246 503 T C 1.666 175.891 174.700 -0.792 0.000 1.026 503 T CA 0.822 62.803 62.100 -0.197 0.000 1.081 503 T CB 0.905 69.699 68.868 -0.124 0.000 0.970 503 T HN 0.227 nan 8.240 nan 0.000 0.475 504 G N 1.445 109.531 108.800 -1.190 0.000 2.134 504 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.209 504 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.209 504 G C -0.268 174.195 174.900 -0.728 0.000 0.993 504 G CA 0.103 44.038 45.100 -1.942 0.000 0.669 504 G HN 0.841 nan 8.290 nan 0.000 0.519 505 E N 0.393 120.325 120.200 -0.446 0.000 2.229 505 E HA 0.427 4.777 4.350 -0.000 0.000 0.283 505 E C 0.303 176.757 176.600 -0.243 0.000 1.030 505 E CA -0.954 55.286 56.400 -0.266 0.000 0.836 505 E CB 0.558 30.155 29.700 -0.172 0.000 1.068 505 E HN 0.310 nan 8.360 nan 0.000 0.401 506 L N 6.542 127.623 121.223 -0.237 0.000 2.500 506 L HA -0.011 4.329 4.340 -0.000 0.000 0.272 506 L C 0.437 177.239 176.870 -0.113 0.000 1.149 506 L CA 0.503 55.241 54.840 -0.169 0.000 0.897 506 L CB 0.960 42.902 42.059 -0.195 0.000 1.178 506 L HN 0.528 nan 8.230 nan 0.000 0.473 507 V N 2.679 122.555 119.914 -0.063 0.000 3.556 507 V HA 0.430 4.549 4.120 -0.000 0.000 0.287 507 V C -0.207 175.964 176.094 0.129 0.000 1.422 507 V CA -0.386 61.911 62.300 -0.005 0.000 1.038 507 V CB -0.632 31.175 31.823 -0.026 0.000 0.850 507 V HN 0.820 nan 8.190 nan 0.000 0.437 508 W N 1.645 122.873 121.300 -0.120 0.000 3.901 508 W HA 0.586 5.246 4.660 -0.000 0.000 0.274 508 W C -1.613 174.857 176.519 -0.082 0.000 1.278 508 W CA -0.586 56.711 57.345 -0.081 0.000 1.235 508 W CB 1.151 30.581 29.460 -0.051 0.000 1.261 508 W HN 0.210 nan 8.180 nan 0.000 0.546 509 K N 4.635 124.523 120.400 -0.855 0.000 2.546 509 K HA 0.490 4.810 4.320 -0.000 0.000 0.264 509 K C -2.302 173.668 176.600 -1.049 0.000 0.937 509 K CA -0.899 54.899 56.287 -0.815 0.000 0.833 509 K CB 2.280 34.504 32.500 -0.460 0.000 1.378 509 K HN 0.600 nan 8.250 nan 0.000 0.432 510 H N 1.798 120.355 119.070 -0.854 0.000 2.759 510 H HA 0.239 4.795 4.556 -0.000 0.000 0.354 510 H C -1.475 173.853 175.328 -0.000 0.000 1.074 510 H CA -0.742 55.035 56.048 -0.452 0.000 1.226 510 H CB 2.273 31.750 29.762 -0.474 0.000 1.648 510 H HN 0.673 nan 8.280 nan 0.000 0.529 511 K N 4.549 124.760 120.400 -0.316 0.000 2.349 511 K HA 0.170 4.489 4.320 -0.000 0.000 0.289 511 K C -0.983 175.500 176.600 -0.195 0.000 1.064 511 K CA -0.384 55.765 56.287 -0.230 0.000 0.947 511 K CB -0.025 32.360 32.500 -0.191 0.000 1.007 511 K HN 0.269 nan 8.250 nan 0.000 0.478 512 L N 7.115 128.271 121.223 -0.112 0.000 2.416 512 L HA 0.419 4.759 4.340 -0.000 0.000 0.262 512 L C -1.478 175.344 176.870 -0.080 0.000 1.093 512 L CA -2.427 52.425 54.840 0.019 0.000 0.801 512 L CB 0.827 42.926 42.059 0.066 0.000 1.191 512 L HN 0.621 nan 8.230 nan 0.000 0.459 513 P HA -0.092 nan 4.420 nan 0.000 0.217 513 P C -0.153 177.086 177.300 -0.101 0.000 1.148 513 P CA 0.978 64.029 63.100 -0.082 0.000 0.828 513 P CB 0.349 32.003 31.700 -0.076 0.000 0.783 514 S N -2.694 112.949 115.700 -0.095 0.000 2.570 514 S HA 0.591 5.061 4.470 -0.000 0.000 0.270 514 S C -0.241 174.312 174.600 -0.077 0.000 1.149 514 S CA -0.562 57.583 58.200 -0.092 0.000 0.837 514 S CB 0.761 63.911 63.200 -0.083 0.000 1.124 514 S HN 0.106 nan 8.310 nan 0.000 0.465 515 G N 1.094 109.850 108.800 -0.073 0.000 2.562 515 G HA2 0.401 4.361 3.960 -0.000 0.000 0.233 515 G HA3 0.401 4.361 3.960 -0.000 0.000 0.233 515 G C -0.568 174.350 174.900 0.031 0.000 1.266 515 G CA -0.066 45.013 45.100 -0.036 0.000 0.852 515 G HN 0.771 nan 8.290 nan 0.000 0.581 516 V N 2.808 122.777 119.914 0.092 0.000 2.435 516 V HA 0.382 4.502 4.120 -0.000 0.000 0.290 516 V C 0.925 177.171 176.094 0.254 0.000 1.030 516 V CA -0.322 62.077 62.300 0.164 0.000 0.881 516 V CB 1.435 33.368 31.823 0.184 0.000 0.983 516 V HN 0.781 nan 8.190 nan 0.000 0.445 517 I N 1.149 121.903 120.570 0.306 0.000 4.442 517 I HA 0.576 4.745 4.170 -0.000 0.000 0.331 517 I C 0.761 177.167 176.117 0.481 0.000 1.364 517 I CA -0.140 61.434 61.300 0.455 0.000 1.207 517 I CB 0.538 38.819 38.000 0.468 0.000 1.298 517 I HN 0.567 nan 8.210 nan 0.000 0.463 518 G N 1.172 110.200 108.800 0.379 0.000 2.705 518 G HA2 0.549 4.508 3.960 -0.000 0.000 0.299 518 G HA3 0.549 4.508 3.960 -0.000 0.000 0.299 518 G C -1.285 173.822 174.900 0.345 0.000 1.315 518 G CA -0.617 44.703 45.100 0.367 0.000 1.045 518 G HN 0.313 nan 8.290 nan 0.000 0.517 519 Y N -1.545 118.909 120.300 0.256 0.000 2.387 519 Y HA 0.698 5.248 4.550 -0.000 0.000 0.330 519 Y C -2.553 173.414 175.900 0.113 0.000 1.133 519 Y CA -3.671 54.554 58.100 0.209 0.000 1.152 519 Y CB 0.837 39.411 38.460 0.191 0.000 1.215 519 Y HN 0.233 nan 8.280 nan 0.000 0.466 520 P HA 0.229 nan 4.420 nan 0.000 0.272 520 P C -0.814 176.469 177.300 -0.027 0.000 1.223 520 P CA -0.205 62.933 63.100 0.062 0.000 0.784 520 P CB 0.910 32.682 31.700 0.121 0.000 0.923 521 M N -0.347 119.079 119.600 -0.290 0.000 2.667 521 M HA 0.870 5.350 4.480 -0.000 0.000 0.286 521 M C -0.569 175.556 176.300 -0.292 0.000 1.270 521 M CA -0.472 54.441 55.300 -0.645 0.000 0.826 521 M CB 1.725 33.431 32.600 -1.491 0.000 1.743 521 M HN 0.202 nan 8.290 nan 0.000 0.460 522 T N 0.160 114.654 114.554 -0.100 0.000 2.802 522 T HA 0.837 5.186 4.350 -0.000 0.000 0.311 522 T C -2.307 172.645 174.700 0.419 0.000 1.405 522 T CA -0.357 61.823 62.100 0.133 0.000 1.016 522 T CB 1.237 70.146 68.868 0.068 0.000 1.352 522 T HN 1.531 nan 8.240 nan 0.000 0.498 523 Y N -0.537 119.862 120.300 0.165 0.000 2.721 523 Y HA 0.601 5.151 4.550 -0.000 0.000 0.357 523 Y C -1.803 174.217 175.900 0.200 0.000 1.183 523 Y CA -1.098 57.122 58.100 0.200 0.000 1.231 523 Y CB 0.689 39.271 38.460 0.204 0.000 1.390 523 Y HN 0.574 nan 8.280 nan 0.000 0.488 524 E N 2.039 122.371 120.200 0.220 0.000 2.145 524 E HA 0.249 4.598 4.350 -0.000 0.000 0.262 524 E C -1.787 174.982 176.600 0.281 0.000 0.883 524 E CA -0.831 55.636 56.400 0.112 0.000 0.748 524 E CB 1.609 31.339 29.700 0.051 0.000 1.140 524 E HN 0.680 nan 8.360 nan 0.000 0.417 525 H N 2.433 121.644 119.070 0.235 0.000 2.489 525 H HA 0.216 4.771 4.556 -0.000 0.000 0.343 525 H C -0.545 174.880 175.328 0.162 0.000 1.086 525 H CA -0.604 55.604 56.048 0.267 0.000 1.198 525 H CB 0.701 30.703 29.762 0.401 0.000 1.490 525 H HN 0.368 nan 8.280 nan 0.000 0.504 526 K N 4.017 124.202 120.400 -0.359 0.000 3.213 526 K HA -0.281 4.039 4.320 -0.000 0.000 0.266 526 K C 0.888 177.420 176.600 -0.113 0.000 0.911 526 K CA 0.924 57.060 56.287 -0.250 0.000 0.684 526 K CB -1.574 30.733 32.500 -0.322 0.000 1.402 526 K HN 1.151 nan 8.250 nan 0.000 0.465 527 G N -1.768 106.985 108.800 -0.079 0.000 2.241 527 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.244 527 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.244 527 G C 0.177 175.007 174.900 -0.117 0.000 0.998 527 G CA 0.029 45.082 45.100 -0.079 0.000 0.621 527 G HN 0.283 nan 8.290 nan 0.000 0.519 528 V N 1.718 121.537 119.914 -0.159 0.000 2.439 528 V HA 0.572 4.691 4.120 -0.000 0.000 0.282 528 V C 0.523 176.315 176.094 -0.503 0.000 1.039 528 V CA -0.505 61.585 62.300 -0.349 0.000 0.913 528 V CB 1.741 33.286 31.823 -0.463 0.000 0.983 528 V HN 0.442 nan 8.190 nan 0.000 0.460 529 Q N 3.065 122.566 119.800 -0.498 0.000 2.256 529 Q HA 0.436 4.776 4.340 -0.000 0.000 0.254 529 Q C -1.772 173.830 176.000 -0.663 0.000 0.916 529 Q CA -0.368 55.158 55.803 -0.462 0.000 0.932 529 Q CB 0.953 29.530 28.738 -0.269 0.000 1.207 529 Q HN 0.742 nan 8.270 nan 0.000 0.426 530 Y N 2.796 122.805 120.300 -0.486 0.000 2.468 530 Y HA 0.492 5.042 4.550 -0.000 0.000 0.342 530 Y C -0.007 175.628 175.900 -0.442 0.000 1.021 530 Y CA -1.068 56.719 58.100 -0.522 0.000 1.079 530 Y CB 1.528 39.545 38.460 -0.738 0.000 1.226 530 Y HN 0.411 nan 8.280 nan 0.000 0.460 531 I N 2.529 123.004 120.570 -0.159 0.000 2.465 531 I HA 0.700 4.870 4.170 -0.000 0.000 0.291 531 I C -0.421 175.640 176.117 -0.094 0.000 1.014 531 I CA -0.733 60.440 61.300 -0.213 0.000 1.093 531 I CB 1.347 39.051 38.000 -0.494 0.000 1.267 531 I HN 0.718 nan 8.210 nan 0.000 0.431 532 A N 5.555 128.315 122.820 -0.102 0.000 2.454 532 A HA 0.877 5.197 4.320 -0.000 0.000 0.302 532 A C -1.399 176.120 177.584 -0.108 0.000 1.079 532 A CA -0.684 51.278 52.037 -0.126 0.000 0.731 532 A CB 2.521 21.429 19.000 -0.153 0.000 1.299 532 A HN 0.519 nan 8.150 nan 0.000 0.413 533 V N 3.122 122.996 119.914 -0.067 0.000 2.969 533 V HA 0.508 4.628 4.120 -0.000 0.000 0.304 533 V C -1.084 174.994 176.094 -0.026 0.000 1.192 533 V CA -0.979 61.300 62.300 -0.036 0.000 0.962 533 V CB 2.116 33.974 31.823 0.058 0.000 1.045 533 V HN 0.956 nan 8.190 nan 0.000 0.428 534 M N 3.818 123.408 119.600 -0.016 0.000 2.248 534 M HA 0.385 4.865 4.480 -0.000 0.000 0.337 534 M C 0.224 176.550 176.300 0.043 0.000 1.121 534 M CA 0.804 56.115 55.300 0.018 0.000 1.155 534 M CB 0.659 33.303 32.600 0.074 0.000 1.514 534 M HN 0.790 nan 8.290 nan 0.000 0.452 535 S N 0.618 116.314 115.700 -0.007 0.000 2.536 535 S HA 0.859 5.329 4.470 -0.000 0.000 0.287 535 S C -0.461 174.098 174.600 -0.070 0.000 1.101 535 S CA 0.082 58.279 58.200 -0.005 0.000 0.950 535 S CB 1.714 64.905 63.200 -0.015 0.000 1.056 535 S HN 1.102 nan 8.310 nan 0.000 0.481 536 G N 2.590 111.380 108.800 -0.017 0.000 2.258 536 G HA2 0.139 4.099 3.960 -0.000 0.000 0.182 536 G HA3 0.139 4.099 3.960 -0.000 0.000 0.182 536 G C -0.827 174.121 174.900 0.081 0.000 1.790 536 G CA -0.260 44.835 45.100 -0.008 0.000 1.128 536 G HN 1.011 nan 8.290 nan 0.000 0.606 537 V N 1.751 121.674 119.914 0.015 0.000 3.096 537 V HA 0.867 4.987 4.120 -0.000 0.000 0.306 537 V C 1.186 177.279 176.094 -0.002 0.000 1.088 537 V CA 2.292 64.591 62.300 -0.002 0.000 1.129 537 V CB 1.446 33.227 31.823 -0.070 0.000 1.014 537 V HN 2.375 nan 8.190 nan 0.000 0.486 538 G N 2.442 111.229 108.800 -0.021 0.000 2.439 538 G HA2 0.556 4.515 3.960 -0.000 0.000 0.186 538 G HA3 0.556 4.515 3.960 -0.000 0.000 0.186 538 G C 0.271 175.188 174.900 0.028 0.000 1.260 538 G CA 0.175 45.272 45.100 -0.005 0.000 1.020 538 G HN 2.258 nan 8.290 nan 0.000 0.470 539 G N -1.786 107.101 108.800 0.145 0.000 2.750 539 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.228 539 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.228 539 G C 0.823 175.825 174.900 0.170 0.000 1.367 539 G CA 0.842 46.076 45.100 0.223 0.000 0.871 539 G HN 1.840 nan 8.290 nan 0.000 0.560 540 W N 1.550 122.843 121.300 -0.012 0.000 2.358 540 W HA 0.033 4.693 4.660 -0.000 0.000 0.303 540 W C -0.091 176.188 176.519 -0.400 0.000 1.208 540 W CA 2.724 60.017 57.345 -0.088 0.000 1.274 540 W CB -1.527 27.989 29.460 0.094 0.000 1.138 540 W HN 0.473 nan 8.180 nan 0.000 0.515 541 P HA -0.019 nan 4.420 nan 0.000 0.223 541 P C 1.576 178.455 177.300 -0.702 0.000 1.151 541 P CA 2.273 64.568 63.100 -1.341 0.000 0.787 541 P CB -0.541 29.979 31.700 -1.966 0.000 0.788 542 G N -0.002 108.568 108.800 -0.384 0.000 2.985 542 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.209 542 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.209 542 G C 1.404 176.282 174.900 -0.036 0.000 1.165 542 G CA 0.361 45.349 45.100 -0.186 0.000 0.776 542 G HN 0.267 nan 8.290 nan 0.000 0.541 543 V N -0.542 119.425 119.914 0.088 0.000 2.407 543 V HA -0.036 4.083 4.120 -0.000 0.000 0.248 543 V C 2.702 178.944 176.094 0.247 0.000 1.055 543 V CA 1.926 64.399 62.300 0.289 0.000 1.049 543 V CB -1.262 30.778 31.823 0.363 0.000 0.662 543 V HN 0.198 nan 8.190 nan 0.000 0.455 544 G N 0.733 109.619 108.800 0.143 0.000 2.446 544 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 544 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 544 G C 1.521 176.461 174.900 0.066 0.000 1.168 544 G CA 1.396 46.564 45.100 0.113 0.000 0.771 544 G HN 0.525 nan 8.290 nan 0.000 0.551 545 L N 0.870 122.102 121.223 0.014 0.000 2.005 545 L HA 0.053 4.393 4.340 -0.000 0.000 0.207 545 L C 2.894 179.694 176.870 -0.116 0.000 1.072 545 L CA 1.490 56.304 54.840 -0.043 0.000 0.744 545 L CB -0.924 41.096 42.059 -0.066 0.000 0.895 545 L HN 0.087 nan 8.230 nan 0.000 0.433 546 V N -0.373 119.419 119.914 -0.203 0.000 2.255 546 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 546 V C 2.250 178.005 176.094 -0.564 0.000 1.051 546 V CA 2.413 64.412 62.300 -0.503 0.000 1.018 546 V CB -0.691 30.724 31.823 -0.681 0.000 0.641 546 V HN 0.417 nan 8.190 nan 0.000 0.445 547 F N -0.787 119.136 119.950 -0.045 0.000 2.749 547 F HA 0.248 4.775 4.527 -0.000 0.000 0.300 547 F C 0.990 176.779 175.800 -0.018 0.000 1.103 547 F CA 0.542 58.533 58.000 -0.016 0.000 1.342 547 F CB 0.089 39.089 39.000 0.000 0.000 1.098 547 F HN 0.221 nan 8.300 nan 0.000 0.586 548 D N 1.420 121.878 120.400 0.096 0.000 2.778 548 D HA -0.177 4.463 4.640 -0.000 0.000 0.246 548 D C -0.739 175.601 176.300 0.066 0.000 1.107 548 D CA 0.275 54.306 54.000 0.052 0.000 0.732 548 D CB -1.148 39.667 40.800 0.026 0.000 1.055 548 D HN 0.159 nan 8.370 nan 0.000 0.429 549 L N 0.487 121.758 121.223 0.079 0.000 2.360 549 L HA 0.517 4.857 4.340 -0.000 0.000 0.271 549 L C 1.558 178.449 176.870 0.035 0.000 1.057 549 L CA -0.613 54.261 54.840 0.056 0.000 0.803 549 L CB 1.415 43.512 42.059 0.063 0.000 1.207 549 L HN 0.040 nan 8.230 nan 0.000 0.445 550 Q N -0.787 119.024 119.800 0.018 0.000 2.471 550 Q HA 0.053 4.392 4.340 -0.000 0.000 0.259 550 Q C -0.345 175.659 176.000 0.006 0.000 0.850 550 Q CA -0.143 55.667 55.803 0.012 0.000 0.981 550 Q CB 0.402 29.144 28.738 0.007 0.000 1.180 550 Q HN 0.580 nan 8.270 nan 0.000 0.571 551 D N 2.785 123.184 120.400 -0.002 0.000 2.662 551 D HA -0.087 4.553 4.640 -0.000 0.000 0.237 551 D C -1.608 174.686 176.300 -0.010 0.000 1.154 551 D CA -0.591 53.403 54.000 -0.011 0.000 0.861 551 D CB 0.988 41.767 40.800 -0.035 0.000 1.146 551 D HN 0.090 nan 8.370 nan 0.000 0.518 552 P HA -0.077 nan 4.420 nan 0.000 0.237 552 P C 0.848 178.124 177.300 -0.041 0.000 1.178 552 P CA 0.846 63.958 63.100 0.020 0.000 0.766 552 P CB -0.009 31.737 31.700 0.076 0.000 0.876 553 T N -4.339 110.127 114.554 -0.146 0.000 3.069 553 T HA 0.486 4.836 4.350 -0.000 0.000 0.252 553 T C 0.936 175.530 174.700 -0.177 0.000 1.053 553 T CA -0.241 61.682 62.100 -0.295 0.000 0.964 553 T CB -0.300 68.259 68.868 -0.515 0.000 1.005 553 T HN 0.023 nan 8.240 nan 0.000 0.532 554 A N 0.658 123.418 122.820 -0.099 0.000 2.310 554 A HA 0.598 4.918 4.320 -0.000 0.000 0.260 554 A C 1.629 179.206 177.584 -0.011 0.000 1.112 554 A CA 0.080 52.068 52.037 -0.082 0.000 0.804 554 A CB -1.019 17.943 19.000 -0.063 0.000 1.081 554 A HN 1.473 nan 8.150 nan 0.000 0.499 555 G N -1.515 107.275 108.800 -0.016 0.000 2.221 555 G HA2 0.066 4.025 3.960 -0.000 0.000 0.265 555 G HA3 0.066 4.025 3.960 -0.000 0.000 0.265 555 G C 0.270 175.346 174.900 0.293 0.000 1.041 555 G CA 0.174 45.345 45.100 0.119 0.000 0.807 555 G HN 1.789 nan 8.290 nan 0.000 0.502 556 L N -2.643 118.627 121.223 0.079 0.000 3.737 556 L HA -0.150 4.190 4.340 -0.000 0.000 0.418 556 L C 2.060 179.108 176.870 0.297 0.000 1.216 556 L CA 2.405 57.313 54.840 0.115 0.000 0.915 556 L CB -1.791 40.382 42.059 0.189 0.000 1.834 556 L HN 2.240 nan 8.230 nan 0.000 0.943 557 G N -2.827 106.045 108.800 0.119 0.000 2.232 557 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.226 557 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.226 557 G C 1.032 175.990 174.900 0.097 0.000 0.996 557 G CA 0.767 45.903 45.100 0.061 0.000 0.626 557 G HN 1.198 nan 8.290 nan 0.000 0.509 558 A N 0.379 123.281 122.820 0.137 0.000 1.930 558 A HA 0.326 4.646 4.320 -0.000 0.000 0.217 558 A C 2.589 180.276 177.584 0.172 0.000 1.175 558 A CA 2.558 54.627 52.037 0.053 0.000 0.627 558 A CB -0.539 18.394 19.000 -0.113 0.000 0.815 558 A HN 1.121 nan 8.150 nan 0.000 0.443 559 V N 0.059 120.059 119.914 0.143 0.000 2.278 559 V HA -0.282 3.838 4.120 -0.000 0.000 0.251 559 V C 2.746 178.915 176.094 0.126 0.000 1.062 559 V CA 2.214 64.591 62.300 0.128 0.000 1.038 559 V CB -1.501 30.369 31.823 0.079 0.000 0.646 559 V HN 0.609 nan 8.190 nan 0.000 0.447 560 G N -0.892 107.975 108.800 0.112 0.000 2.394 560 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.214 560 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.214 560 G C 1.793 176.778 174.900 0.142 0.000 1.176 560 G CA 0.885 46.029 45.100 0.073 0.000 0.786 560 G HN 0.620 nan 8.290 nan 0.000 0.533 561 A N 0.369 123.353 122.820 0.275 0.000 1.927 561 A HA 0.011 4.331 4.320 -0.000 0.000 0.220 561 A C 1.744 179.358 177.584 0.050 0.000 1.185 561 A CA 1.203 53.391 52.037 0.252 0.000 0.639 561 A CB -0.516 18.561 19.000 0.129 0.000 0.820 561 A HN 0.345 nan 8.150 nan 0.000 0.451 562 F N 0.155 120.204 119.950 0.164 0.000 2.730 562 F HA 0.149 4.676 4.527 -0.000 0.000 0.295 562 F C 1.925 177.819 175.800 0.155 0.000 1.143 562 F CA 0.213 58.311 58.000 0.164 0.000 1.367 562 F CB 0.340 39.355 39.000 0.025 0.000 0.970 562 F HN 0.325 nan 8.300 nan 0.000 0.514 563 K N -0.534 119.976 120.400 0.183 0.000 2.147 563 K HA -0.164 4.156 4.320 -0.000 0.000 0.205 563 K C 0.794 177.494 176.600 0.167 0.000 1.049 563 K CA 1.649 57.998 56.287 0.103 0.000 0.936 563 K CB -0.179 32.287 32.500 -0.056 0.000 0.722 563 K HN 0.170 nan 8.250 nan 0.000 0.446 564 N N 0.868 119.744 118.700 0.294 0.000 2.412 564 N HA -0.025 4.715 4.740 -0.000 0.000 0.184 564 N C 1.496 177.349 175.510 0.571 0.000 1.101 564 N CA 0.164 53.461 53.050 0.411 0.000 0.881 564 N CB -0.020 38.753 38.487 0.476 0.000 0.969 564 N HN 0.106 nan 8.380 nan 0.000 0.459 565 L N 2.361 123.814 121.223 0.383 0.000 1.989 565 L HA -0.200 4.139 4.340 -0.000 0.000 0.211 565 L C 2.271 179.210 176.870 0.116 0.000 1.071 565 L CA 1.815 56.659 54.840 0.006 0.000 0.749 565 L CB -0.964 41.005 42.059 -0.149 0.000 0.890 565 L HN 0.303 nan 8.230 nan 0.000 0.431 566 Q N -1.381 118.464 119.800 0.075 0.000 2.522 566 Q HA -0.223 4.117 4.340 -0.000 0.000 0.216 566 Q C 0.960 176.942 176.000 -0.030 0.000 0.986 566 Q CA 1.592 57.404 55.803 0.015 0.000 0.901 566 Q CB -0.773 27.965 28.738 -0.000 0.000 0.954 566 Q HN 0.585 nan 8.270 nan 0.000 0.502 567 N N -0.466 118.196 118.700 -0.063 0.000 2.463 567 N HA -0.021 4.719 4.740 -0.000 0.000 0.181 567 N C 0.171 175.283 175.510 -0.663 0.000 1.078 567 N CA 0.774 53.604 53.050 -0.366 0.000 0.902 567 N CB 0.101 38.277 38.487 -0.518 0.000 0.970 567 N HN 0.498 nan 8.380 nan 0.000 0.451 568 Y N -1.226 119.104 120.300 0.050 0.000 2.423 568 Y HA 0.306 4.856 4.550 -0.000 0.000 0.257 568 Y C 0.845 176.708 175.900 -0.062 0.000 1.087 568 Y CA -0.159 57.960 58.100 0.032 0.000 1.258 568 Y CB 0.986 39.525 38.460 0.133 0.000 1.237 568 Y HN -0.222 nan 8.280 nan 0.000 0.517 569 T N -0.080 114.499 114.554 0.042 0.000 2.853 569 T HA 0.440 4.790 4.350 -0.000 0.000 0.311 569 T C -1.470 173.194 174.700 -0.061 0.000 1.307 569 T CA -0.659 61.418 62.100 -0.039 0.000 1.019 569 T CB 1.607 70.436 68.868 -0.065 0.000 1.264 569 T HN -0.190 nan 8.240 nan 0.000 0.497 570 Q N 1.363 121.117 119.800 -0.076 0.000 2.486 570 Q HA 0.546 4.886 4.340 -0.000 0.000 0.274 570 Q C -0.232 175.711 176.000 -0.095 0.000 1.076 570 Q CA -0.914 54.838 55.803 -0.085 0.000 0.872 570 Q CB 1.539 30.229 28.738 -0.081 0.000 1.383 570 Q HN 0.709 nan 8.270 nan 0.000 0.478 571 M N 0.246 119.780 119.600 -0.109 0.000 2.248 571 M HA 0.342 4.821 4.480 -0.000 0.000 0.337 571 M C 0.639 176.883 176.300 -0.093 0.000 1.121 571 M CA 0.455 55.691 55.300 -0.108 0.000 1.155 571 M CB 0.501 33.014 32.600 -0.145 0.000 1.514 571 M HN 0.787 nan 8.290 nan 0.000 0.452 572 G N 0.202 108.947 108.800 -0.093 0.000 3.214 572 G HA2 0.808 4.768 3.960 -0.000 0.000 0.188 572 G HA3 0.808 4.768 3.960 -0.000 0.000 0.188 572 G C -0.914 173.867 174.900 -0.198 0.000 1.126 572 G CA -0.308 44.717 45.100 -0.126 0.000 0.796 572 G HN 0.913 nan 8.290 nan 0.000 0.631 573 G N -0.477 108.107 108.800 -0.360 0.000 2.213 573 G HA2 0.604 4.564 3.960 -0.000 0.000 0.249 573 G HA3 0.604 4.564 3.960 -0.000 0.000 0.249 573 G C -0.633 173.904 174.900 -0.605 0.000 2.618 573 G CA 0.896 45.462 45.100 -0.891 0.000 0.788 573 G HN 1.744 nan 8.290 nan 0.000 0.498 574 S N 0.380 115.817 115.700 -0.438 0.000 2.636 574 S HA 0.826 5.296 4.470 -0.000 0.000 0.268 574 S C -1.790 172.735 174.600 -0.125 0.000 1.159 574 S CA -1.009 57.045 58.200 -0.243 0.000 0.815 574 S CB 2.033 65.116 63.200 -0.195 0.000 1.130 574 S HN 1.694 nan 8.310 nan 0.000 0.471 575 L N 1.139 122.329 121.223 -0.056 0.000 2.333 575 L HA 0.758 5.098 4.340 -0.000 0.000 0.280 575 L C -1.217 175.528 176.870 -0.208 0.000 1.004 575 L CA -0.079 54.704 54.840 -0.096 0.000 0.820 575 L CB 1.483 43.503 42.059 -0.065 0.000 1.247 575 L HN 0.736 nan 8.230 nan 0.000 0.416 576 E N 4.778 124.843 120.200 -0.225 0.000 2.158 576 E HA 0.529 4.879 4.350 -0.000 0.000 0.271 576 E C -1.164 175.097 176.600 -0.565 0.000 0.911 576 E CA -0.413 55.789 56.400 -0.329 0.000 0.767 576 E CB 2.218 31.903 29.700 -0.024 0.000 1.120 576 E HN 0.415 nan 8.360 nan 0.000 0.405 577 V N 3.461 122.745 119.914 -1.050 0.000 2.555 577 V HA 0.545 4.665 4.120 -0.000 0.000 0.302 577 V C -0.479 174.961 176.094 -1.089 0.000 1.038 577 V CA -0.820 60.905 62.300 -0.959 0.000 0.887 577 V CB 0.871 31.888 31.823 -1.344 0.000 0.991 577 V HN 0.445 nan 8.190 nan 0.000 0.434 578 F N 1.863 121.618 119.950 -0.326 0.000 2.546 578 F HA 0.838 5.365 4.527 -0.000 0.000 0.320 578 F C 0.408 176.109 175.800 -0.166 0.000 1.076 578 F CA -0.350 57.512 58.000 -0.231 0.000 0.928 578 F CB 2.436 41.310 39.000 -0.210 0.000 1.189 578 F HN 0.636 nan 8.300 nan 0.000 0.465 579 S N 0.854 116.571 115.700 0.028 0.000 2.615 579 S HA 0.604 5.074 4.470 -0.000 0.000 0.269 579 S C -1.272 173.270 174.600 -0.097 0.000 1.161 579 S CA -1.142 56.989 58.200 -0.115 0.000 0.817 579 S CB 0.955 64.008 63.200 -0.245 0.000 1.131 579 S HN 0.612 nan 8.310 nan 0.000 0.467 580 L N 2.006 123.141 121.223 -0.146 0.000 2.660 580 L HA 0.084 4.424 4.340 -0.000 0.000 0.272 580 L C 0.222 177.064 176.870 -0.047 0.000 1.194 580 L CA 0.823 55.603 54.840 -0.100 0.000 0.945 580 L CB -0.823 41.169 42.059 -0.111 0.000 1.212 580 L HN 0.976 nan 8.230 nan 0.000 0.490 581 D N 2.810 123.207 120.400 -0.005 0.000 2.983 581 D HA -0.214 4.426 4.640 -0.000 0.000 0.225 581 D C 1.171 177.506 176.300 0.058 0.000 1.174 581 D CA 1.285 55.305 54.000 0.033 0.000 0.831 581 D CB -0.733 40.080 40.800 0.021 0.000 1.104 581 D HN 1.071 nan 8.370 nan 0.000 0.421 582 G N 0.085 108.924 108.800 0.065 0.000 2.187 582 G HA2 -0.452 3.508 3.960 -0.000 0.000 0.261 582 G HA3 -0.452 3.508 3.960 -0.000 0.000 0.261 582 G C 0.403 175.370 174.900 0.113 0.000 1.000 582 G CA 0.708 45.865 45.100 0.096 0.000 0.718 582 G HN 0.592 nan 8.290 nan 0.000 0.519 583 K N 0.471 120.910 120.400 0.065 0.000 2.530 583 K HA 0.217 4.537 4.320 -0.000 0.000 0.280 583 K C 0.759 177.476 176.600 0.194 0.000 1.004 583 K CA 1.187 57.517 56.287 0.071 0.000 1.071 583 K CB -0.107 32.383 32.500 -0.017 0.000 0.876 583 K HN 0.880 nan 8.250 nan 0.000 0.487 584 N N 1.919 120.739 118.700 0.199 0.000 3.185 584 N HA 0.226 4.966 4.740 -0.000 0.000 0.238 584 N C -2.710 172.832 175.510 0.054 0.000 1.451 584 N CA -1.256 51.935 53.050 0.236 0.000 0.888 584 N CB 1.417 40.080 38.487 0.293 0.000 1.413 584 N HN 0.052 nan 8.380 nan 0.000 0.511 585 P HA -0.135 nan 4.420 nan 0.000 0.220 585 P C 0.233 177.372 177.300 -0.268 0.000 1.144 585 P CA 1.359 64.278 63.100 -0.301 0.000 0.800 585 P CB -0.134 31.198 31.700 -0.614 0.000 0.772 586 Y N -0.341 119.955 120.300 -0.008 0.000 2.519 586 Y HA -0.029 4.521 4.550 -0.000 0.000 0.287 586 Y C 1.974 177.886 175.900 0.020 0.000 1.128 586 Y CA 0.101 58.199 58.100 -0.003 0.000 1.282 586 Y CB -1.177 37.280 38.460 -0.005 0.000 1.027 586 Y HN -0.071 nan 8.280 nan 0.000 0.551 587 D N 0.346 120.835 120.400 0.149 0.000 2.286 587 D HA -0.227 4.413 4.640 -0.000 0.000 0.195 587 D C 0.449 176.788 176.300 0.066 0.000 1.012 587 D CA 1.711 55.766 54.000 0.092 0.000 0.901 587 D CB -0.289 40.551 40.800 0.068 0.000 0.903 587 D HN 0.303 nan 8.370 nan 0.000 0.451 588 D N -0.283 120.149 120.400 0.053 0.000 2.441 588 D HA 0.048 4.688 4.640 -0.000 0.000 0.221 588 D C 1.378 177.724 176.300 0.076 0.000 1.156 588 D CA -0.327 53.698 54.000 0.041 0.000 0.896 588 D CB 0.841 41.646 40.800 0.008 0.000 1.028 588 D HN -0.061 nan 8.370 nan 0.000 0.509 589 V N 2.006 121.962 119.914 0.071 0.000 3.241 589 V HA -0.103 4.016 4.120 -0.000 0.000 0.269 589 V C 1.168 177.304 176.094 0.070 0.000 1.151 589 V CA 0.924 63.272 62.300 0.081 0.000 1.158 589 V CB -0.608 31.247 31.823 0.054 0.000 0.764 589 V HN 0.387 nan 8.190 nan 0.000 0.508 590 N N 0.896 119.626 118.700 0.051 0.000 2.396 590 N HA 0.028 4.768 4.740 -0.000 0.000 0.180 590 N C 0.748 176.287 175.510 0.049 0.000 1.028 590 N CA 0.710 53.782 53.050 0.036 0.000 0.893 590 N CB -0.292 38.201 38.487 0.010 0.000 0.967 590 N HN 0.488 nan 8.380 nan 0.000 0.440 591 V N 1.302 121.263 119.914 0.080 0.000 2.540 591 V HA 0.196 4.315 4.120 -0.000 0.000 0.297 591 V C 1.443 177.648 176.094 0.183 0.000 1.024 591 V CA 0.843 63.191 62.300 0.079 0.000 1.105 591 V CB 0.159 31.975 31.823 -0.011 0.000 0.938 591 V HN 0.617 nan 8.190 nan 0.000 0.482 592 G N 3.714 112.572 108.800 0.097 0.000 2.155 592 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.257 592 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.257 592 G C 0.096 175.029 174.900 0.054 0.000 0.983 592 G CA 0.068 45.226 45.100 0.097 0.000 0.676 592 G HN 0.617 nan 8.290 nan 0.000 0.528 593 E N -1.392 118.835 120.200 0.045 0.000 2.283 593 E HA 0.455 4.805 4.350 -0.000 0.000 0.267 593 E C 0.846 177.480 176.600 0.057 0.000 1.045 593 E CA -0.892 55.539 56.400 0.052 0.000 0.884 593 E CB 0.765 30.489 29.700 0.040 0.000 1.106 593 E HN 0.177 nan 8.360 nan 0.000 0.408 594 Y N 2.247 122.536 120.300 -0.018 0.000 2.220 594 Y HA -0.147 4.403 4.550 -0.000 0.000 0.291 594 Y C 1.676 177.567 175.900 -0.014 0.000 1.129 594 Y CA 1.849 59.938 58.100 -0.017 0.000 1.161 594 Y CB 0.386 38.837 38.460 -0.015 0.000 0.997 594 Y HN 0.553 nan 8.280 nan 0.000 0.522 595 E N 0.344 120.547 120.200 0.006 0.000 1.994 595 E HA -0.131 4.219 4.350 -0.000 0.000 0.197 595 E C -0.009 176.544 176.600 -0.078 0.000 0.982 595 E CA 0.989 57.358 56.400 -0.052 0.000 0.855 595 E CB -0.106 29.611 29.700 0.028 0.000 0.806 595 E HN 0.064 nan 8.360 nan 0.000 0.495 596 K N 0.523 120.904 120.400 -0.031 0.000 4.215 596 K HA -0.102 4.218 4.320 -0.000 0.000 0.318 596 K C -0.277 176.301 176.600 -0.036 0.000 1.077 596 K CA 0.161 56.428 56.287 -0.034 0.000 0.979 596 K CB -1.516 30.951 32.500 -0.056 0.000 1.497 596 K HN 0.428 nan 8.250 nan 0.000 0.436 597 G N 0.000 108.788 108.800 -0.019 0.000 5.446 597 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 597 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 597 G CA 0.000 45.091 45.100 -0.015 0.000 0.502 597 G HN 0.000 nan 8.290 nan 0.000 0.925