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 1xjq_1_A DATA FIRST_RESID 34 DATA SEQUENCE HVSRNKRGQV VGTRGGFRGC TVWLTGLSGA GKTTVSMALE EYLVCHGIPC DATA SEQUENCE YTLDGDNIRQ GLNKNLGFSP EDREENVRRI AEVAKLFADA GLVCITSFIS DATA SEQUENCE PYTQDRNNAR QIHEGASLPF FEVFVDAPLX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXEYE KPEAPELVLK TDSCDVNDCV QQVVELLQER DIVPVDASYE DATA SEQUENCE VKELYVPENK LHLAKTDAET LPALKINKVD MQWVQVLAEG WATPLNGFMR DATA SEQUENCE EREYLQCLHF DCLLDGGVIN LSVPIVLTAT HEDKERLDGC TAFALMYEGR DATA SEQUENCE RVAILRNPEF FEHRKEERCA RQWGTTCKNH PYIKMVMEQG DWLIGGDLQV DATA SEQUENCE LDRVYWNDGL DQYRLTPTEL KQKFKDMNAD AVSAFQLRNP VHNGHALLMQ DATA SEQUENCE DTHKQLLERG YRRPVLLLHP LGGWTKDDDV PLMWRMKQHA AVLEEGVLNP DATA SEQUENCE ETTVVAIFPS PMMYAGPTEV QWHCRARMVA GANFYIVGRD PAGMPHPETG DATA SEQUENCE KDLYEPSHGA KVLTMAPGLI TLEIVPFRVA AYNKKKKRMD YYDSEHHEDF DATA SEQUENCE EFISGTRMRK LAREGQKPPE GFMAPKAWTV LTEYYKSLEK A 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 34 H HA 0.000 nan 4.556 nan 0.000 0.296 34 H C 0.000 175.310 175.328 -0.030 0.000 0.993 34 H CA 0.000 56.031 56.048 -0.028 0.000 1.023 34 H CB 0.000 29.742 29.762 -0.033 0.000 1.292 35 V N 2.307 122.306 119.914 0.140 0.000 2.763 35 V HA 0.070 4.191 4.120 0.001 0.000 0.306 35 V C 1.115 177.229 176.094 0.033 0.000 1.059 35 V CA 0.299 62.635 62.300 0.060 0.000 1.138 35 V CB 0.733 32.583 31.823 0.046 0.000 0.940 35 V HN 0.842 nan 8.190 nan 0.000 0.489 36 S N 5.324 121.021 115.700 -0.004 0.000 2.600 36 S HA 0.272 4.742 4.470 0.001 0.000 0.265 36 S C 1.076 175.612 174.600 -0.107 0.000 1.325 36 S CA -0.461 57.706 58.200 -0.054 0.000 1.002 36 S CB 0.728 63.892 63.200 -0.059 0.000 0.921 36 S HN 0.615 nan 8.310 nan 0.000 0.554 37 R N 1.189 121.540 120.500 -0.250 0.000 2.115 37 R HA -0.191 4.149 4.340 0.001 0.000 0.239 37 R C 2.284 178.418 176.300 -0.277 0.000 1.133 37 R CA 1.847 57.625 56.100 -0.536 0.000 0.935 37 R CB -0.894 28.735 30.300 -1.118 0.000 0.853 37 R HN 0.795 nan 8.270 nan 0.000 0.433 38 N N 1.119 119.715 118.700 -0.174 0.000 2.091 38 N HA -0.209 4.531 4.740 0.001 0.000 0.193 38 N C 1.285 176.819 175.510 0.040 0.000 1.021 38 N CA 1.840 54.882 53.050 -0.014 0.000 0.862 38 N CB -0.007 38.468 38.487 -0.019 0.000 1.018 38 N HN 0.223 nan 8.380 nan 0.000 0.429 39 K N -0.125 120.285 120.400 0.016 0.000 2.062 39 K HA 0.079 4.399 4.320 0.001 0.000 0.205 39 K C 2.236 178.876 176.600 0.065 0.000 1.051 39 K CA 0.659 56.968 56.287 0.036 0.000 0.941 39 K CB -0.003 32.510 32.500 0.020 0.000 0.719 39 K HN 0.173 nan 8.250 nan 0.000 0.440 40 R N 0.169 120.715 120.500 0.077 0.000 2.120 40 R HA -0.082 4.259 4.340 0.001 0.000 0.234 40 R C 2.396 178.813 176.300 0.196 0.000 1.123 40 R CA 1.295 57.469 56.100 0.124 0.000 0.975 40 R CB -0.405 29.970 30.300 0.126 0.000 0.866 40 R HN 0.307 nan 8.270 nan 0.000 0.446 41 G N 0.481 109.448 108.800 0.279 0.000 2.432 41 G HA2 -0.266 3.695 3.960 0.001 0.000 0.219 41 G HA3 -0.266 3.695 3.960 0.001 0.000 0.219 41 G C 1.338 176.334 174.900 0.160 0.000 1.135 41 G CA 0.262 45.548 45.100 0.311 0.000 0.767 41 G HN 0.202 nan 8.290 nan 0.000 0.550 42 Q N -0.309 119.563 119.800 0.119 0.000 2.369 42 Q HA 0.043 4.384 4.340 0.001 0.000 0.206 42 Q C 2.505 178.544 176.000 0.064 0.000 0.963 42 Q CA 1.006 56.857 55.803 0.080 0.000 0.894 42 Q CB 0.149 28.924 28.738 0.062 0.000 0.965 42 Q HN 0.539 nan 8.270 nan 0.000 0.475 43 V N -5.155 114.799 119.914 0.068 0.000 3.528 43 V HA 0.209 4.330 4.120 0.001 0.000 0.294 43 V C 1.520 177.644 176.094 0.050 0.000 1.404 43 V CA 0.096 62.426 62.300 0.050 0.000 1.065 43 V CB 0.215 32.063 31.823 0.042 0.000 0.904 43 V HN -0.038 nan 8.190 nan 0.000 0.435 44 V N 1.684 121.635 119.914 0.062 0.000 2.323 44 V HA 0.259 4.380 4.120 0.001 0.000 0.244 44 V C 1.771 177.891 176.094 0.043 0.000 1.041 44 V CA 2.218 64.551 62.300 0.055 0.000 1.025 44 V CB -0.323 31.537 31.823 0.062 0.000 0.656 44 V HN 0.738 nan 8.190 nan 0.000 0.451 45 G N -2.050 106.774 108.800 0.039 0.000 3.212 45 G HA2 0.354 4.315 3.960 0.001 0.000 0.188 45 G HA3 0.354 4.315 3.960 0.001 0.000 0.188 45 G C 0.604 175.522 174.900 0.030 0.000 1.254 45 G CA 0.790 45.910 45.100 0.033 0.000 0.957 45 G HN 0.096 nan 8.290 nan 0.000 0.596 46 T N -1.477 113.093 114.554 0.026 0.000 3.040 46 T HA 0.155 4.506 4.350 0.001 0.000 0.266 46 T C 1.510 176.224 174.700 0.023 0.000 1.005 46 T CA 0.135 62.246 62.100 0.018 0.000 0.906 46 T CB -0.053 68.819 68.868 0.006 0.000 1.082 46 T HN 0.284 nan 8.240 nan 0.000 0.531 47 R N 0.928 121.448 120.500 0.033 0.000 2.265 47 R HA 0.383 4.724 4.340 0.001 0.000 0.194 47 R C 1.320 177.649 176.300 0.049 0.000 0.931 47 R CA 0.545 56.670 56.100 0.041 0.000 1.032 47 R CB -0.424 29.904 30.300 0.048 0.000 0.980 47 R HN 0.451 nan 8.270 nan 0.000 0.497 48 G N 0.819 109.649 108.800 0.051 0.000 2.778 48 G HA2 0.145 4.105 3.960 0.001 0.000 0.686 48 G HA3 0.145 4.105 3.960 0.001 0.000 0.686 48 G C 0.087 175.030 174.900 0.072 0.000 1.309 48 G CA -0.023 45.114 45.100 0.062 0.000 0.904 48 G HN 0.646 nan 8.290 nan 0.000 0.593 49 G N 0.121 108.976 108.800 0.093 0.000 2.907 49 G HA2 0.341 4.302 3.960 0.001 0.000 0.686 49 G HA3 0.341 4.302 3.960 0.001 0.000 0.686 49 G C -0.258 174.729 174.900 0.145 0.000 1.115 49 G CA 0.120 45.290 45.100 0.117 0.000 0.760 49 G HN 2.047 nan 8.290 nan 0.000 0.620 50 F N 3.500 123.484 119.950 0.056 0.000 2.467 50 F HA 0.615 5.143 4.527 0.001 0.000 0.362 50 F C 1.649 177.496 175.800 0.078 0.000 1.090 50 F CA -0.022 58.015 58.000 0.062 0.000 1.202 50 F CB 0.635 39.668 39.000 0.054 0.000 1.113 50 F HN 0.591 nan 8.300 nan 0.000 0.541 51 R N 3.981 124.107 120.500 -0.623 0.000 2.599 51 R HA 0.320 4.661 4.340 0.001 0.000 0.451 51 R C 0.014 176.046 176.300 -0.447 0.000 0.988 51 R CA -0.436 55.459 56.100 -0.342 0.000 1.085 51 R CB -0.150 30.090 30.300 -0.100 0.000 1.452 51 R HN 0.731 nan 8.270 nan 0.000 0.596 52 G N 1.323 109.519 108.800 -1.007 0.000 2.340 52 G HA2 0.348 4.308 3.960 0.001 0.000 0.245 52 G HA3 0.348 4.308 3.960 0.001 0.000 0.245 52 G C 0.211 175.087 174.900 -0.040 0.000 1.294 52 G CA 0.388 45.230 45.100 -0.429 0.000 0.896 52 G HN 0.644 nan 8.290 nan 0.000 0.522 53 C N -0.655 118.692 119.300 0.078 0.000 3.259 53 C HA 0.840 5.301 4.460 0.001 0.000 0.344 53 C C -0.311 174.780 174.990 0.169 0.000 1.401 53 C CA -0.948 58.142 59.018 0.121 0.000 1.219 53 C CB 1.337 29.141 27.740 0.106 0.000 1.521 53 C HN 0.777 nan 8.230 nan 0.000 0.455 54 T N 1.308 115.925 114.554 0.104 0.000 2.841 54 T HA 0.616 4.967 4.350 0.001 0.000 0.285 54 T C -0.736 173.932 174.700 -0.052 0.000 0.991 54 T CA -0.260 61.887 62.100 0.079 0.000 0.966 54 T CB 1.468 70.399 68.868 0.105 0.000 0.962 54 T HN 0.793 nan 8.240 nan 0.000 0.438 55 V N 4.530 124.469 119.914 0.042 0.000 2.318 55 V HA 0.324 4.445 4.120 0.001 0.000 0.271 55 V C -0.534 175.544 176.094 -0.026 0.000 1.030 55 V CA -0.947 61.379 62.300 0.044 0.000 0.844 55 V CB 0.808 32.670 31.823 0.065 0.000 1.015 55 V HN 0.806 nan 8.190 nan 0.000 0.460 56 W N 7.612 128.740 121.300 -0.287 0.000 2.295 56 W HA 0.493 5.154 4.660 0.001 0.000 0.333 56 W C -1.026 175.453 176.519 -0.066 0.000 0.990 56 W CA -0.945 56.270 57.345 -0.216 0.000 1.453 56 W CB 1.048 30.235 29.460 -0.455 0.000 1.263 56 W HN 0.433 nan 8.180 nan 0.000 0.380 57 L N 5.304 126.449 121.223 -0.130 0.000 2.397 57 L HA 0.335 4.675 4.340 0.001 0.000 0.271 57 L C 0.756 177.662 176.870 0.061 0.000 1.148 57 L CA 0.435 55.264 54.840 -0.017 0.000 0.825 57 L CB 1.145 43.141 42.059 -0.105 0.000 1.117 57 L HN 0.249 nan 8.230 nan 0.000 0.456 58 T N 1.248 115.958 114.554 0.261 0.000 2.900 58 T HA 0.809 5.160 4.350 0.001 0.000 0.303 58 T C -0.590 174.330 174.700 0.366 0.000 1.142 58 T CA 0.099 62.422 62.100 0.371 0.000 1.007 58 T CB 1.874 71.074 68.868 0.554 0.000 1.156 58 T HN 1.023 nan 8.240 nan 0.000 0.490 59 G N 1.782 110.728 108.800 0.243 0.000 2.333 59 G HA2 0.165 4.126 3.960 0.001 0.000 0.330 59 G HA3 0.165 4.126 3.960 0.001 0.000 0.330 59 G C 0.190 174.953 174.900 -0.229 0.000 1.465 59 G CA -0.361 44.678 45.100 -0.101 0.000 0.996 59 G HN 0.838 nan 8.290 nan 0.000 0.655 60 L N 0.249 121.243 121.223 -0.383 0.000 2.109 60 L HA 0.121 4.462 4.340 0.001 0.000 0.207 60 L C 2.142 178.937 176.870 -0.125 0.000 1.086 60 L CA 1.410 56.122 54.840 -0.213 0.000 0.760 60 L CB -0.213 41.723 42.059 -0.206 0.000 0.910 60 L HN 0.574 nan 8.230 nan 0.000 0.437 61 S N 0.380 116.002 115.700 -0.131 0.000 2.481 61 S HA 0.147 4.618 4.470 0.001 0.000 0.282 61 S C 1.288 175.830 174.600 -0.096 0.000 1.243 61 S CA -0.029 58.108 58.200 -0.105 0.000 1.078 61 S CB 1.312 64.444 63.200 -0.113 0.000 0.916 61 S HN 0.331 nan 8.310 nan 0.000 0.495 62 G N 4.315 113.064 108.800 -0.084 0.000 2.433 62 G HA2 -0.079 3.882 3.960 0.001 0.000 0.216 62 G HA3 -0.079 3.882 3.960 0.001 0.000 0.216 62 G C 1.575 176.417 174.900 -0.097 0.000 1.186 62 G CA 0.704 45.751 45.100 -0.088 0.000 0.779 62 G HN 0.954 nan 8.290 nan 0.000 0.543 63 A N 0.817 123.586 122.820 -0.086 0.000 1.898 63 A HA 0.197 4.518 4.320 0.001 0.000 0.216 63 A C 2.700 180.229 177.584 -0.092 0.000 1.181 63 A CA 2.027 54.014 52.037 -0.084 0.000 0.620 63 A CB -1.065 17.892 19.000 -0.072 0.000 0.819 63 A HN 0.525 nan 8.150 nan 0.000 0.442 64 G N -0.287 108.455 108.800 -0.096 0.000 2.446 64 G HA2 -0.245 3.716 3.960 0.001 0.000 0.217 64 G HA3 -0.245 3.716 3.960 0.001 0.000 0.217 64 G C 1.709 176.544 174.900 -0.109 0.000 1.168 64 G CA 1.136 46.174 45.100 -0.103 0.000 0.771 64 G HN 0.545 nan 8.290 nan 0.000 0.551 65 K N -0.463 119.868 120.400 -0.115 0.000 2.103 65 K HA -0.020 4.301 4.320 0.001 0.000 0.204 65 K C 2.773 179.286 176.600 -0.145 0.000 1.052 65 K CA 1.378 57.588 56.287 -0.128 0.000 0.945 65 K CB -0.212 32.205 32.500 -0.140 0.000 0.722 65 K HN 0.204 nan 8.250 nan 0.000 0.443 66 T N 0.562 115.033 114.554 -0.140 0.000 2.812 66 T HA -0.107 4.244 4.350 0.001 0.000 0.264 66 T C 2.041 176.668 174.700 -0.122 0.000 1.042 66 T CA 1.857 63.870 62.100 -0.145 0.000 1.140 66 T CB -0.221 68.569 68.868 -0.131 0.000 0.870 66 T HN 0.481 nan 8.240 nan 0.000 0.445 67 T N 0.599 115.090 114.554 -0.104 0.000 2.777 67 T HA -0.042 4.309 4.350 0.001 0.000 0.266 67 T C 2.054 176.700 174.700 -0.091 0.000 1.040 67 T CA 0.952 62.998 62.100 -0.090 0.000 1.141 67 T CB -0.920 67.901 68.868 -0.079 0.000 0.868 67 T HN 0.165 nan 8.240 nan 0.000 0.444 68 V N 2.909 122.765 119.914 -0.098 0.000 2.261 68 V HA -0.193 3.928 4.120 0.001 0.000 0.246 68 V C 3.265 179.298 176.094 -0.102 0.000 1.047 68 V CA 2.248 64.490 62.300 -0.097 0.000 1.015 68 V CB -1.128 30.635 31.823 -0.100 0.000 0.642 68 V HN 0.801 nan 8.190 nan 0.000 0.446 69 S N -0.801 114.826 115.700 -0.121 0.000 2.382 69 S HA -0.232 4.238 4.470 0.001 0.000 0.228 69 S C 1.980 176.510 174.600 -0.117 0.000 1.027 69 S CA 1.584 59.706 58.200 -0.131 0.000 0.991 69 S CB -0.457 62.637 63.200 -0.178 0.000 0.823 69 S HN 0.326 nan 8.310 nan 0.000 0.469 70 M N 2.395 121.927 119.600 -0.114 0.000 2.086 70 M HA 0.241 4.721 4.480 0.001 0.000 0.261 70 M C 2.578 178.836 176.300 -0.070 0.000 1.067 70 M CA 1.261 56.501 55.300 -0.100 0.000 1.116 70 M CB -1.911 30.633 32.600 -0.094 0.000 1.348 70 M HN 0.533 nan 8.290 nan 0.000 0.407 71 A N -0.735 122.048 122.820 -0.061 0.000 1.968 71 A HA -0.081 4.239 4.320 0.001 0.000 0.217 71 A C 2.153 179.737 177.584 -0.000 0.000 1.169 71 A CA 1.154 53.171 52.037 -0.033 0.000 0.638 71 A CB -0.792 18.185 19.000 -0.038 0.000 0.812 71 A HN 0.444 nan 8.150 nan 0.000 0.446 72 L N 0.078 121.284 121.223 -0.028 0.000 2.072 72 L HA -0.049 4.291 4.340 0.001 0.000 0.205 72 L C 2.136 179.035 176.870 0.047 0.000 1.079 72 L CA 2.569 57.402 54.840 -0.011 0.000 0.752 72 L CB -0.662 41.361 42.059 -0.060 0.000 0.906 72 L HN 0.563 nan 8.230 nan 0.000 0.436 73 E N -0.464 119.732 120.200 -0.007 0.000 2.058 73 E HA -0.301 4.049 4.350 0.001 0.000 0.194 73 E C 2.097 178.703 176.600 0.011 0.000 0.997 73 E CA 1.630 58.023 56.400 -0.012 0.000 0.801 73 E CB -0.147 29.512 29.700 -0.068 0.000 0.746 73 E HN 0.688 nan 8.360 nan 0.000 0.450 74 E N -0.745 119.456 120.200 0.001 0.000 2.072 74 E HA -0.208 4.142 4.350 0.001 0.000 0.191 74 E C 1.946 178.546 176.600 0.001 0.000 0.985 74 E CA 0.980 57.363 56.400 -0.028 0.000 0.801 74 E CB -0.192 29.478 29.700 -0.050 0.000 0.750 74 E HN 0.359 nan 8.360 nan 0.000 0.452 75 Y N 1.182 121.464 120.300 -0.030 0.000 2.145 75 Y HA -0.230 4.320 4.550 0.001 0.000 0.286 75 Y C 1.949 177.928 175.900 0.132 0.000 1.145 75 Y CA 1.636 59.766 58.100 0.049 0.000 1.148 75 Y CB -0.271 38.176 38.460 -0.020 0.000 0.981 75 Y HN -0.005 nan 8.280 nan 0.000 0.507 76 L N -1.097 120.288 121.223 0.271 0.000 2.017 76 L HA -0.240 4.101 4.340 0.001 0.000 0.208 76 L C 2.356 179.255 176.870 0.048 0.000 1.073 76 L CA 1.309 56.257 54.840 0.179 0.000 0.745 76 L CB -0.774 41.378 42.059 0.154 0.000 0.894 76 L HN 0.135 nan 8.230 nan 0.000 0.432 77 V N -1.375 118.543 119.914 0.007 0.000 2.427 77 V HA -0.280 3.841 4.120 0.001 0.000 0.248 77 V C 2.453 178.487 176.094 -0.099 0.000 1.051 77 V CA 1.504 63.785 62.300 -0.031 0.000 1.048 77 V CB -0.386 31.413 31.823 -0.039 0.000 0.666 77 V HN 0.559 nan 8.190 nan 0.000 0.456 78 C N -0.392 118.789 119.300 -0.199 0.000 2.422 78 C HA -0.098 4.363 4.460 0.001 0.000 0.286 78 C C 1.820 176.548 174.990 -0.436 0.000 1.412 78 C CA 0.838 59.602 59.018 -0.424 0.000 1.786 78 C CB -1.392 25.883 27.740 -0.775 0.000 1.835 78 C HN 0.692 nan 8.230 nan 0.000 0.533 79 H N -1.191 117.745 119.070 -0.223 0.000 2.475 79 H HA 0.345 4.902 4.556 0.001 0.000 0.276 79 H C 1.438 176.723 175.328 -0.071 0.000 1.126 79 H CA 0.574 56.522 56.048 -0.166 0.000 1.023 79 H CB -0.255 29.289 29.762 -0.364 0.000 1.669 79 H HN 0.294 nan 8.280 nan 0.000 0.573 80 G N 1.021 109.824 108.800 0.005 0.000 2.153 80 G HA2 -0.298 3.663 3.960 0.001 0.000 0.252 80 G HA3 -0.298 3.663 3.960 0.001 0.000 0.252 80 G C 0.037 174.961 174.900 0.039 0.000 0.994 80 G CA 0.229 45.340 45.100 0.018 0.000 0.698 80 G HN 0.414 nan 8.290 nan 0.000 0.521 81 I N 1.512 122.114 120.570 0.052 0.000 2.330 81 I HA 0.283 4.453 4.170 0.001 0.000 0.286 81 I C -2.086 174.064 176.117 0.055 0.000 1.025 81 I CA -2.421 58.914 61.300 0.058 0.000 1.197 81 I CB 1.682 39.731 38.000 0.082 0.000 1.358 81 I HN -0.175 nan 8.210 nan 0.000 0.467 82 P HA 0.003 nan 4.420 nan 0.000 0.262 82 P C -0.706 176.642 177.300 0.080 0.000 1.182 82 P CA -0.121 63.018 63.100 0.065 0.000 0.761 82 P CB 0.332 32.072 31.700 0.066 0.000 0.795 83 C N 2.561 121.918 119.300 0.094 0.000 3.291 83 C HA 0.832 5.293 4.460 0.001 0.000 0.316 83 C C -1.602 173.468 174.990 0.134 0.000 1.391 83 C CA -1.006 58.068 59.018 0.094 0.000 1.394 83 C CB 1.107 28.881 27.740 0.055 0.000 1.744 83 C HN 0.565 nan 8.230 nan 0.000 0.461 84 Y N -0.441 119.794 120.300 -0.108 0.000 2.480 84 Y HA 0.573 5.124 4.550 0.001 0.000 0.329 84 Y C -0.519 175.223 175.900 -0.263 0.000 1.127 84 Y CA 0.061 58.020 58.100 -0.235 0.000 1.037 84 Y CB 2.054 40.236 38.460 -0.463 0.000 1.320 84 Y HN 0.960 nan 8.280 nan 0.000 0.446 85 T N 6.578 120.706 114.554 -0.710 0.000 2.794 85 T HA 0.553 4.904 4.350 0.001 0.000 0.280 85 T C -0.691 173.689 174.700 -0.532 0.000 0.987 85 T CA -0.556 61.249 62.100 -0.492 0.000 0.993 85 T CB 0.465 69.088 68.868 -0.408 0.000 0.939 85 T HN 0.428 nan 8.240 nan 0.000 0.449 86 L N 4.865 125.929 121.223 -0.266 0.000 2.282 86 L HA 0.595 4.936 4.340 0.001 0.000 0.288 86 L C -0.105 176.644 176.870 -0.201 0.000 1.033 86 L CA -0.720 54.072 54.840 -0.081 0.000 0.807 86 L CB 0.859 43.011 42.059 0.155 0.000 1.209 86 L HN 0.751 nan 8.230 nan 0.000 0.423 87 D N 1.342 121.597 120.400 -0.243 0.000 2.812 87 D HA 0.243 4.884 4.640 0.001 0.000 0.318 87 D C 0.881 177.026 176.300 -0.259 0.000 1.234 87 D CA -0.245 53.359 54.000 -0.659 0.000 0.989 87 D CB 0.720 41.212 40.800 -0.514 0.000 1.442 87 D HN 0.303 nan 8.370 nan 0.000 0.537 88 G N -0.736 107.901 108.800 -0.272 0.000 2.442 88 G HA2 -0.229 3.732 3.960 0.001 0.000 0.219 88 G HA3 -0.229 3.732 3.960 0.001 0.000 0.219 88 G C 0.766 175.676 174.900 0.017 0.000 1.141 88 G CA 0.906 46.017 45.100 0.019 0.000 0.763 88 G HN 0.539 nan 8.290 nan 0.000 0.554 89 D N 0.780 121.149 120.400 -0.052 0.000 2.312 89 D HA -0.076 4.565 4.640 0.001 0.000 0.211 89 D C 1.801 178.102 176.300 0.001 0.000 0.964 89 D CA 1.078 55.061 54.000 -0.029 0.000 0.877 89 D CB 0.035 40.798 40.800 -0.062 0.000 0.924 89 D HN 0.548 nan 8.370 nan 0.000 0.515 90 N N -0.409 118.300 118.700 0.016 0.000 2.181 90 N HA -0.009 4.731 4.740 0.001 0.000 0.207 90 N C 1.236 176.815 175.510 0.114 0.000 1.182 90 N CA -0.064 53.023 53.050 0.063 0.000 0.893 90 N CB 0.298 38.824 38.487 0.065 0.000 1.032 90 N HN 0.063 nan 8.380 nan 0.000 0.513 91 I N 0.611 121.269 120.570 0.147 0.000 2.947 91 I HA 0.151 4.322 4.170 0.001 0.000 0.263 91 I C 2.383 178.575 176.117 0.125 0.000 1.130 91 I CA 0.239 61.638 61.300 0.165 0.000 1.448 91 I CB -0.544 37.613 38.000 0.261 0.000 1.222 91 I HN 0.126 nan 8.210 nan 0.000 0.453 92 R N 1.102 121.685 120.500 0.138 0.000 2.103 92 R HA -0.180 4.161 4.340 0.001 0.000 0.242 92 R C 1.570 177.915 176.300 0.076 0.000 1.142 92 R CA 1.514 57.679 56.100 0.108 0.000 0.960 92 R CB 0.174 30.541 30.300 0.111 0.000 0.858 92 R HN 0.387 nan 8.270 nan 0.000 0.439 93 Q N -1.346 118.496 119.800 0.070 0.000 2.220 93 Q HA 0.153 4.493 4.340 0.001 0.000 0.205 93 Q C 0.618 176.651 176.000 0.054 0.000 0.865 93 Q CA 0.420 56.256 55.803 0.055 0.000 0.960 93 Q CB 1.845 30.610 28.738 0.046 0.000 1.097 93 Q HN 0.441 nan 8.270 nan 0.000 0.493 94 G N 0.513 109.352 108.800 0.064 0.000 2.887 94 G HA2 0.080 4.040 3.960 0.001 0.000 0.210 94 G HA3 0.080 4.040 3.960 0.001 0.000 0.210 94 G C 0.850 175.786 174.900 0.061 0.000 1.964 94 G CA -0.220 44.919 45.100 0.065 0.000 0.738 94 G HN 0.178 nan 8.290 nan 0.000 0.790 95 L N 1.014 122.281 121.223 0.072 0.000 2.021 95 L HA -0.017 4.323 4.340 0.001 0.000 0.215 95 L C 1.330 178.229 176.870 0.048 0.000 1.074 95 L CA 1.892 56.770 54.840 0.064 0.000 0.760 95 L CB -0.521 41.587 42.059 0.082 0.000 0.889 95 L HN 0.230 nan 8.230 nan 0.000 0.433 96 N N -0.313 118.416 118.700 0.048 0.000 2.295 96 N HA 0.008 4.748 4.740 0.001 0.000 0.221 96 N C 1.185 176.717 175.510 0.037 0.000 1.129 96 N CA 0.315 53.385 53.050 0.034 0.000 0.836 96 N CB -0.088 38.411 38.487 0.020 0.000 1.040 96 N HN 0.573 nan 8.380 nan 0.000 0.494 97 K N 0.500 120.923 120.400 0.039 0.000 2.362 97 K HA -0.052 4.269 4.320 0.001 0.000 0.200 97 K C 0.329 176.944 176.600 0.026 0.000 1.046 97 K CA 1.039 57.348 56.287 0.037 0.000 0.952 97 K CB 0.006 32.528 32.500 0.037 0.000 0.753 97 K HN 0.037 nan 8.250 nan 0.000 0.466 98 N N 0.987 119.698 118.700 0.019 0.000 2.238 98 N HA 0.121 4.861 4.740 0.001 0.000 0.222 98 N C -0.407 175.102 175.510 -0.002 0.000 1.133 98 N CA -0.251 52.803 53.050 0.007 0.000 0.854 98 N CB 0.160 38.651 38.487 0.006 0.000 1.041 98 N HN 0.147 nan 8.380 nan 0.000 0.510 99 L N -0.401 120.825 121.223 0.005 0.000 2.346 99 L HA 0.771 5.111 4.340 0.001 0.000 0.274 99 L C 0.712 177.582 176.870 -0.000 0.000 1.007 99 L CA -1.040 53.798 54.840 -0.003 0.000 0.818 99 L CB 2.036 44.100 42.059 0.009 0.000 1.284 99 L HN 0.164 nan 8.230 nan 0.000 0.424 100 G N 0.682 109.459 108.800 -0.038 0.000 3.135 100 G HA2 0.329 4.289 3.960 0.001 0.000 0.159 100 G HA3 0.329 4.289 3.960 0.001 0.000 0.159 100 G C -0.102 174.803 174.900 0.008 0.000 1.244 100 G CA -0.282 44.787 45.100 -0.052 0.000 0.965 100 G HN 0.566 nan 8.290 nan 0.000 0.599 101 F N 0.879 120.852 119.950 0.038 0.000 2.727 101 F HA 0.339 4.866 4.527 0.001 0.000 0.302 101 F C 1.363 177.193 175.800 0.050 0.000 1.097 101 F CA -0.566 57.463 58.000 0.047 0.000 1.330 101 F CB -0.819 38.208 39.000 0.045 0.000 1.084 101 F HN 0.220 nan 8.300 nan 0.000 0.578 102 S N 1.442 117.085 115.700 -0.096 0.000 2.561 102 S HA 0.025 4.496 4.470 0.001 0.000 0.294 102 S C -1.538 173.113 174.600 0.085 0.000 1.294 102 S CA -0.704 57.497 58.200 0.000 0.000 1.055 102 S CB 0.584 63.726 63.200 -0.098 0.000 0.819 102 S HN 0.042 nan 8.310 nan 0.000 0.503 103 P HA -0.137 nan 4.420 nan 0.000 0.216 103 P C 1.003 178.341 177.300 0.062 0.000 1.150 103 P CA 1.517 64.674 63.100 0.094 0.000 0.843 103 P CB -0.003 31.727 31.700 0.052 0.000 0.787 104 E N -0.792 119.425 120.200 0.029 0.000 2.072 104 E HA -0.149 4.202 4.350 0.001 0.000 0.190 104 E C 1.692 178.304 176.600 0.020 0.000 0.982 104 E CA 1.126 57.535 56.400 0.016 0.000 0.803 104 E CB -0.967 28.731 29.700 -0.003 0.000 0.755 104 E HN 0.253 nan 8.360 nan 0.000 0.453 105 D N 0.359 120.767 120.400 0.012 0.000 2.144 105 D HA -0.081 4.560 4.640 0.001 0.000 0.199 105 D C 1.847 178.173 176.300 0.042 0.000 0.984 105 D CA 0.894 54.901 54.000 0.011 0.000 0.834 105 D CB -0.062 40.727 40.800 -0.018 0.000 0.955 105 D HN 0.084 nan 8.370 nan 0.000 0.465 106 R N 0.373 120.919 120.500 0.078 0.000 2.073 106 R HA -0.052 4.289 4.340 0.001 0.000 0.229 106 R C 2.203 178.561 176.300 0.098 0.000 1.120 106 R CA 0.965 57.127 56.100 0.104 0.000 0.967 106 R CB -0.149 30.248 30.300 0.162 0.000 0.862 106 R HN 0.271 nan 8.270 nan 0.000 0.436 107 E N 1.041 121.300 120.200 0.099 0.000 2.058 107 E HA -0.273 4.077 4.350 0.001 0.000 0.194 107 E C 1.830 178.462 176.600 0.054 0.000 0.997 107 E CA 1.552 58.002 56.400 0.084 0.000 0.801 107 E CB 0.103 29.838 29.700 0.058 0.000 0.746 107 E HN 0.129 nan 8.360 nan 0.000 0.450 108 E N 0.850 121.072 120.200 0.037 0.000 2.153 108 E HA -0.223 4.128 4.350 0.001 0.000 0.194 108 E C 1.674 178.286 176.600 0.020 0.000 0.988 108 E CA 1.633 58.048 56.400 0.024 0.000 0.811 108 E CB -0.381 29.327 29.700 0.015 0.000 0.746 108 E HN 0.304 nan 8.360 nan 0.000 0.466 109 N N -0.628 118.081 118.700 0.016 0.000 2.084 109 N HA -0.139 4.602 4.740 0.001 0.000 0.190 109 N C 1.564 177.044 175.510 -0.048 0.000 1.030 109 N CA 1.926 54.962 53.050 -0.023 0.000 0.849 109 N CB -0.201 38.274 38.487 -0.019 0.000 1.012 109 N HN 0.110 nan 8.380 nan 0.000 0.423 110 V N 0.566 120.487 119.914 0.012 0.000 2.548 110 V HA -0.059 4.061 4.120 0.001 0.000 0.249 110 V C 2.547 178.720 176.094 0.131 0.000 1.055 110 V CA 1.369 63.721 62.300 0.087 0.000 1.065 110 V CB -0.658 31.264 31.823 0.166 0.000 0.681 110 V HN 0.362 nan 8.190 nan 0.000 0.462 111 R N 0.223 120.768 120.500 0.075 0.000 2.073 111 R HA -0.139 4.202 4.340 0.001 0.000 0.234 111 R C 2.584 178.932 176.300 0.080 0.000 1.134 111 R CA 1.557 57.697 56.100 0.065 0.000 0.952 111 R CB -0.119 30.201 30.300 0.035 0.000 0.850 111 R HN 0.440 nan 8.270 nan 0.000 0.433 112 R N -0.010 120.524 120.500 0.057 0.000 2.075 112 R HA -0.077 4.264 4.340 0.001 0.000 0.232 112 R C 2.381 178.739 176.300 0.096 0.000 1.126 112 R CA 1.469 57.606 56.100 0.061 0.000 0.963 112 R CB -0.356 29.966 30.300 0.036 0.000 0.858 112 R HN 0.277 nan 8.270 nan 0.000 0.435 113 I N 0.792 121.403 120.570 0.068 0.000 2.226 113 I HA -0.261 3.909 4.170 0.001 0.000 0.245 113 I C 2.626 178.929 176.117 0.310 0.000 1.100 113 I CA 1.285 62.644 61.300 0.099 0.000 1.374 113 I CB -0.360 37.551 38.000 -0.148 0.000 1.057 113 I HN 0.181 nan 8.210 nan 0.000 0.413 114 A N 0.258 123.312 122.820 0.390 0.000 1.898 114 A HA -0.178 4.142 4.320 0.001 0.000 0.216 114 A C 2.235 180.036 177.584 0.363 0.000 1.181 114 A CA 1.392 53.730 52.037 0.501 0.000 0.620 114 A CB -0.406 18.776 19.000 0.302 0.000 0.819 114 A HN 0.355 nan 8.150 nan 0.000 0.442 115 E N -0.102 120.224 120.200 0.209 0.000 2.150 115 E HA -0.104 4.247 4.350 0.001 0.000 0.193 115 E C 2.138 178.831 176.600 0.155 0.000 0.985 115 E CA 1.261 57.739 56.400 0.129 0.000 0.814 115 E CB -0.402 29.343 29.700 0.074 0.000 0.752 115 E HN 0.430 nan 8.360 nan 0.000 0.466 116 V N 1.571 121.615 119.914 0.215 0.000 2.379 116 V HA -0.196 3.925 4.120 0.001 0.000 0.245 116 V C 2.469 178.804 176.094 0.402 0.000 1.044 116 V CA 1.593 64.053 62.300 0.267 0.000 1.036 116 V CB -0.771 31.228 31.823 0.294 0.000 0.664 116 V HN 0.223 nan 8.190 nan 0.000 0.453 117 A N -0.069 123.016 122.820 0.443 0.000 1.908 117 A HA -0.291 4.030 4.320 0.001 0.000 0.218 117 A C 2.348 180.221 177.584 0.482 0.000 1.181 117 A CA 2.270 54.626 52.037 0.533 0.000 0.627 117 A CB -0.567 18.805 19.000 0.619 0.000 0.818 117 A HN 0.489 nan 8.150 nan 0.000 0.445 118 K N -0.157 120.397 120.400 0.257 0.000 2.044 118 K HA -0.177 4.144 4.320 0.001 0.000 0.210 118 K C 1.908 178.519 176.600 0.018 0.000 1.049 118 K CA 1.861 58.069 56.287 -0.133 0.000 0.927 118 K CB -0.403 31.897 32.500 -0.334 0.000 0.713 118 K HN 0.532 nan 8.250 nan 0.000 0.443 119 L N -0.259 120.993 121.223 0.048 0.000 2.083 119 L HA -0.156 4.184 4.340 0.001 0.000 0.209 119 L C 2.397 179.223 176.870 -0.073 0.000 1.083 119 L CA 1.103 55.915 54.840 -0.047 0.000 0.752 119 L CB -0.462 41.524 42.059 -0.122 0.000 0.899 119 L HN 0.114 nan 8.230 nan 0.000 0.433 120 F N 0.126 120.133 119.950 0.094 0.000 2.206 120 F HA -0.121 4.406 4.527 0.001 0.000 0.298 120 F C 2.607 178.473 175.800 0.109 0.000 1.090 120 F CA 1.136 59.193 58.000 0.095 0.000 1.323 120 F CB -0.510 38.571 39.000 0.134 0.000 1.028 120 F HN -0.015 nan 8.300 nan 0.000 0.492 121 A N -0.348 122.654 122.820 0.303 0.000 1.898 121 A HA -0.237 4.084 4.320 0.001 0.000 0.216 121 A C 1.881 179.621 177.584 0.260 0.000 1.181 121 A CA 1.998 54.183 52.037 0.247 0.000 0.620 121 A CB -0.994 18.177 19.000 0.286 0.000 0.819 121 A HN 0.334 nan 8.150 nan 0.000 0.442 122 D N -0.035 120.488 120.400 0.204 0.000 2.182 122 D HA -0.058 4.583 4.640 0.001 0.000 0.201 122 D C 1.802 178.247 176.300 0.242 0.000 0.986 122 D CA 1.433 55.557 54.000 0.207 0.000 0.847 122 D CB -0.152 40.673 40.800 0.042 0.000 0.942 122 D HN 0.357 nan 8.370 nan 0.000 0.467 123 A N -1.206 121.697 122.820 0.137 0.000 2.206 123 A HA 0.417 4.738 4.320 0.001 0.000 0.211 123 A C 1.828 179.520 177.584 0.179 0.000 1.158 123 A CA 1.170 53.261 52.037 0.090 0.000 0.761 123 A CB -0.268 18.703 19.000 -0.048 0.000 0.801 123 A HN 0.447 nan 8.150 nan 0.000 0.473 124 G N -2.382 106.533 108.800 0.192 0.000 2.163 124 G HA2 -0.123 3.837 3.960 0.001 0.000 0.213 124 G HA3 -0.123 3.837 3.960 0.001 0.000 0.213 124 G C -0.184 174.646 174.900 -0.116 0.000 0.991 124 G CA 0.091 45.140 45.100 -0.085 0.000 0.653 124 G HN 0.310 nan 8.290 nan 0.000 0.518 125 L N 0.811 122.062 121.223 0.047 0.000 2.360 125 L HA 0.673 5.014 4.340 0.001 0.000 0.271 125 L C 0.905 177.828 176.870 0.089 0.000 1.057 125 L CA -0.822 54.081 54.840 0.105 0.000 0.803 125 L CB 1.844 44.056 42.059 0.256 0.000 1.207 125 L HN -0.028 nan 8.230 nan 0.000 0.445 126 V N 1.818 121.780 119.914 0.081 0.000 2.415 126 V HA 0.054 4.175 4.120 0.001 0.000 0.267 126 V C 0.109 176.269 176.094 0.109 0.000 1.042 126 V CA -0.396 61.960 62.300 0.095 0.000 1.000 126 V CB 0.725 32.597 31.823 0.081 0.000 1.015 126 V HN 0.814 nan 8.190 nan 0.000 0.478 127 C N 8.125 127.511 119.300 0.143 0.000 2.285 127 C HA 0.605 5.066 4.460 0.001 0.000 0.335 127 C C 0.073 175.099 174.990 0.059 0.000 1.267 127 C CA -0.731 58.358 59.018 0.118 0.000 1.762 127 C CB -1.169 26.714 27.740 0.238 0.000 2.365 127 C HN 0.779 nan 8.230 nan 0.000 0.527 128 I N 6.325 126.878 120.570 -0.027 0.000 2.377 128 I HA 0.407 4.578 4.170 0.001 0.000 0.293 128 I C 0.499 176.533 176.117 -0.139 0.000 0.987 128 I CA 0.130 61.383 61.300 -0.078 0.000 1.185 128 I CB 1.926 39.860 38.000 -0.110 0.000 1.341 128 I HN 0.738 nan 8.210 nan 0.000 0.455 129 T N 1.159 115.599 114.554 -0.190 0.000 2.824 129 T HA 0.455 4.806 4.350 0.001 0.000 0.282 129 T C -0.410 174.040 174.700 -0.415 0.000 0.993 129 T CA -0.767 61.169 62.100 -0.273 0.000 0.967 129 T CB 1.726 70.353 68.868 -0.401 0.000 0.960 129 T HN 0.440 nan 8.240 nan 0.000 0.441 130 S N 2.883 118.249 115.700 -0.557 0.000 2.399 130 S HA 0.668 5.138 4.470 0.001 0.000 0.215 130 S C -1.559 172.510 174.600 -0.885 0.000 1.456 130 S CA -0.736 57.120 58.200 -0.574 0.000 1.199 130 S CB -0.669 62.235 63.200 -0.492 0.000 1.063 130 S HN 0.595 nan 8.310 nan 0.000 0.476 131 F N 2.552 122.334 119.950 -0.280 0.000 2.591 131 F HA 0.502 5.029 4.527 0.001 0.000 0.309 131 F C 1.154 176.922 175.800 -0.054 0.000 1.098 131 F CA -1.052 56.854 58.000 -0.157 0.000 0.937 131 F CB 1.165 40.065 39.000 -0.167 0.000 1.250 131 F HN 0.278 nan 8.300 nan 0.000 0.447 132 I N 0.839 121.519 120.570 0.184 0.000 2.185 132 I HA -0.310 3.860 4.170 0.001 0.000 0.246 132 I C 0.987 177.294 176.117 0.316 0.000 1.088 132 I CA 1.445 62.857 61.300 0.186 0.000 1.347 132 I CB -0.600 37.481 38.000 0.134 0.000 1.041 132 I HN 0.770 nan 8.210 nan 0.000 0.415 133 S N -0.055 115.820 115.700 0.291 0.000 3.254 133 S HA -0.125 4.346 4.470 0.001 0.000 0.327 133 S C -1.351 173.346 174.600 0.162 0.000 0.892 133 S CA 0.275 58.656 58.200 0.301 0.000 1.357 133 S CB -1.497 62.086 63.200 0.639 0.000 1.022 133 S HN 0.336 nan 8.310 nan 0.000 0.524 134 P HA 0.025 nan 4.420 nan 0.000 0.225 134 P C 0.032 176.989 177.300 -0.572 0.000 1.156 134 P CA 1.040 63.890 63.100 -0.416 0.000 0.787 134 P CB -0.069 31.289 31.700 -0.569 0.000 0.802 135 Y N -0.754 119.493 120.300 -0.089 0.000 2.331 135 Y HA 0.204 4.755 4.550 0.001 0.000 0.338 135 Y C 1.998 177.825 175.900 -0.123 0.000 0.976 135 Y CA -0.837 57.192 58.100 -0.118 0.000 1.137 135 Y CB 0.928 39.355 38.460 -0.054 0.000 1.172 135 Y HN -0.302 nan 8.280 nan 0.000 0.478 136 T N 0.967 115.520 114.554 -0.002 0.000 2.649 136 T HA -0.336 4.014 4.350 0.001 0.000 0.268 136 T C 1.879 176.555 174.700 -0.040 0.000 1.036 136 T CA 2.115 64.183 62.100 -0.053 0.000 1.157 136 T CB -0.124 68.703 68.868 -0.068 0.000 0.861 136 T HN 0.638 nan 8.240 nan 0.000 0.445 137 Q N 1.155 120.948 119.800 -0.012 0.000 2.062 137 Q HA -0.181 4.160 4.340 0.001 0.000 0.209 137 Q C 1.942 177.915 176.000 -0.045 0.000 0.996 137 Q CA 2.078 57.861 55.803 -0.035 0.000 0.859 137 Q CB -0.470 28.248 28.738 -0.033 0.000 0.920 137 Q HN 0.505 nan 8.270 nan 0.000 0.415 138 D N -0.944 119.460 120.400 0.005 0.000 2.123 138 D HA -0.090 4.551 4.640 0.001 0.000 0.200 138 D C 1.985 178.205 176.300 -0.134 0.000 0.976 138 D CA 0.946 54.940 54.000 -0.011 0.000 0.831 138 D CB -0.174 40.683 40.800 0.096 0.000 0.974 138 D HN 0.310 nan 8.370 nan 0.000 0.469 139 R N 0.742 121.154 120.500 -0.147 0.000 2.081 139 R HA -0.051 4.290 4.340 0.001 0.000 0.235 139 R C 2.060 178.129 176.300 -0.386 0.000 1.131 139 R CA 0.929 56.826 56.100 -0.340 0.000 0.960 139 R CB -0.378 29.814 30.300 -0.180 0.000 0.856 139 R HN 0.311 nan 8.270 nan 0.000 0.436 140 N N 0.573 119.130 118.700 -0.239 0.000 2.120 140 N HA -0.180 4.560 4.740 0.001 0.000 0.188 140 N C 1.657 176.997 175.510 -0.284 0.000 1.024 140 N CA 1.075 53.983 53.050 -0.237 0.000 0.852 140 N CB -0.166 38.235 38.487 -0.144 0.000 1.003 140 N HN 0.183 nan 8.380 nan 0.000 0.424 141 N N 1.171 119.730 118.700 -0.235 0.000 2.166 141 N HA -0.089 4.652 4.740 0.001 0.000 0.186 141 N C 1.571 176.907 175.510 -0.290 0.000 1.019 141 N CA 1.341 54.269 53.050 -0.204 0.000 0.856 141 N CB -0.139 38.272 38.487 -0.126 0.000 0.993 141 N HN 0.197 nan 8.380 nan 0.000 0.426 142 A N 0.781 123.339 122.820 -0.438 0.000 1.902 142 A HA -0.149 4.172 4.320 0.001 0.000 0.217 142 A C 2.263 179.345 177.584 -0.836 0.000 1.181 142 A CA 1.475 53.182 52.037 -0.550 0.000 0.623 142 A CB -0.762 17.665 19.000 -0.955 0.000 0.818 142 A HN 0.416 nan 8.150 nan 0.000 0.443 143 R N -0.870 118.836 120.500 -1.322 0.000 2.083 143 R HA -0.240 4.101 4.340 0.001 0.000 0.237 143 R C 2.369 178.317 176.300 -0.587 0.000 1.137 143 R CA 2.065 57.273 56.100 -1.487 0.000 0.951 143 R CB -0.291 29.422 30.300 -0.979 0.000 0.851 143 R HN 0.504 nan 8.270 nan 0.000 0.434 144 Q N 0.890 120.472 119.800 -0.364 0.000 2.170 144 Q HA -0.080 4.261 4.340 0.001 0.000 0.203 144 Q C 1.903 177.828 176.000 -0.125 0.000 0.976 144 Q CA 1.632 57.321 55.803 -0.191 0.000 0.858 144 Q CB -0.227 28.420 28.738 -0.152 0.000 0.907 144 Q HN 0.529 nan 8.270 nan 0.000 0.433 145 I N -0.324 120.178 120.570 -0.114 0.000 2.286 145 I HA -0.302 3.868 4.170 0.001 0.000 0.248 145 I C 1.735 177.799 176.117 -0.089 0.000 1.115 145 I CA 1.320 62.579 61.300 -0.069 0.000 1.392 145 I CB -0.229 37.755 38.000 -0.027 0.000 1.065 145 I HN 0.319 nan 8.210 nan 0.000 0.418 146 H N 0.418 119.415 119.070 -0.122 0.000 2.307 146 H HA -0.086 4.471 4.556 0.001 0.000 0.303 146 H C 2.164 177.470 175.328 -0.036 0.000 1.073 146 H CA 1.355 57.387 56.048 -0.028 0.000 1.338 146 H CB -0.097 29.698 29.762 0.055 0.000 1.389 146 H HN 0.272 nan 8.280 nan 0.000 0.503 147 E N -0.327 119.888 120.200 0.025 0.000 2.106 147 E HA -0.074 4.277 4.350 0.001 0.000 0.192 147 E C 2.316 178.908 176.600 -0.013 0.000 0.984 147 E CA 0.744 57.146 56.400 0.002 0.000 0.806 147 E CB -0.143 29.537 29.700 -0.034 0.000 0.750 147 E HN 0.539 nan 8.360 nan 0.000 0.458 148 G N 0.677 109.457 108.800 -0.033 0.000 2.559 148 G HA2 -0.090 3.871 3.960 0.001 0.000 0.216 148 G HA3 -0.090 3.871 3.960 0.001 0.000 0.216 148 G C 1.224 176.106 174.900 -0.030 0.000 1.126 148 G CA 0.633 45.713 45.100 -0.033 0.000 0.778 148 G HN 0.270 nan 8.290 nan 0.000 0.543 149 A N -0.450 122.352 122.820 -0.031 0.000 2.503 149 A HA 0.549 4.870 4.320 0.001 0.000 0.263 149 A C 1.303 178.883 177.584 -0.007 0.000 1.258 149 A CA 0.830 52.849 52.037 -0.030 0.000 0.936 149 A CB 0.071 19.037 19.000 -0.057 0.000 1.070 149 A HN 0.603 nan 8.150 nan 0.000 0.522 150 S N -1.136 114.570 115.700 0.010 0.000 3.749 150 S HA -0.139 4.331 4.470 0.001 0.000 0.348 150 S C -0.209 174.435 174.600 0.073 0.000 1.045 150 S CA 0.895 59.114 58.200 0.033 0.000 1.051 150 S CB -2.158 61.053 63.200 0.018 0.000 0.898 150 S HN 0.552 nan 8.310 nan 0.000 0.472 151 L N 0.838 122.117 121.223 0.094 0.000 2.341 151 L HA 0.537 4.877 4.340 0.001 0.000 0.278 151 L C -2.314 174.638 176.870 0.136 0.000 1.005 151 L CA -2.501 52.431 54.840 0.154 0.000 0.818 151 L CB 1.589 43.746 42.059 0.164 0.000 1.259 151 L HN -0.115 nan 8.230 nan 0.000 0.418 152 P HA 0.112 nan 4.420 nan 0.000 0.271 152 P C -1.252 175.853 177.300 -0.325 0.000 1.216 152 P CA 0.069 63.049 63.100 -0.200 0.000 0.776 152 P CB 0.391 31.927 31.700 -0.275 0.000 0.881 153 F N 3.860 123.444 119.950 -0.610 0.000 2.539 153 F HA 0.523 5.051 4.527 0.001 0.000 0.328 153 F C -1.458 174.056 175.800 -0.476 0.000 1.148 153 F CA -0.851 56.855 58.000 -0.489 0.000 0.940 153 F CB 0.805 39.639 39.000 -0.278 0.000 1.194 153 F HN 0.131 nan 8.300 nan 0.000 0.438 154 F N 4.746 124.468 119.950 -0.380 0.000 2.347 154 F HA 0.286 4.814 4.527 0.001 0.000 0.366 154 F C 0.178 175.801 175.800 -0.295 0.000 1.107 154 F CA -0.825 57.050 58.000 -0.208 0.000 1.058 154 F CB 1.274 40.210 39.000 -0.108 0.000 1.236 154 F HN 0.428 nan 8.300 nan 0.000 0.456 155 E N 3.498 123.716 120.200 0.030 0.000 2.166 155 E HA 0.290 4.641 4.350 0.001 0.000 0.279 155 E C -1.081 175.628 176.600 0.182 0.000 1.095 155 E CA -0.306 56.165 56.400 0.119 0.000 0.888 155 E CB 0.888 30.716 29.700 0.213 0.000 1.041 155 E HN 0.372 nan 8.360 nan 0.000 0.414 156 V N 6.680 126.711 119.914 0.196 0.000 2.313 156 V HA 0.157 4.278 4.120 0.001 0.000 0.278 156 V C -0.359 175.898 176.094 0.272 0.000 1.017 156 V CA -0.768 61.639 62.300 0.178 0.000 0.823 156 V CB 0.486 32.360 31.823 0.085 0.000 1.010 156 V HN 0.554 nan 8.190 nan 0.000 0.443 157 F N 6.376 126.381 119.950 0.092 0.000 2.413 157 F HA 0.439 4.967 4.527 0.001 0.000 0.359 157 F C 0.171 175.992 175.800 0.034 0.000 1.122 157 F CA -0.940 57.119 58.000 0.099 0.000 1.160 157 F CB 1.050 40.121 39.000 0.118 0.000 1.146 157 F HN 0.250 nan 8.300 nan 0.000 0.514 158 V N 6.584 126.497 119.914 -0.002 0.000 2.370 158 V HA 0.053 4.174 4.120 0.001 0.000 0.257 158 V C -0.245 175.523 176.094 -0.543 0.000 1.064 158 V CA -0.278 61.886 62.300 -0.227 0.000 0.975 158 V CB 0.433 32.194 31.823 -0.103 0.000 1.067 158 V HN 0.563 nan 8.190 nan 0.000 0.485 159 D N 5.142 125.027 120.400 -0.859 0.000 2.467 159 D HA 0.531 5.172 4.640 0.001 0.000 0.220 159 D C 0.019 176.069 176.300 -0.416 0.000 1.103 159 D CA -0.166 53.248 54.000 -0.976 0.000 0.886 159 D CB 1.173 41.292 40.800 -1.133 0.000 1.025 159 D HN 0.583 nan 8.370 nan 0.000 0.514 160 A N 4.898 127.554 122.820 -0.273 0.000 2.709 160 A HA 0.507 4.828 4.320 0.001 0.000 0.332 160 A C -2.356 175.163 177.584 -0.109 0.000 1.241 160 A CA -1.133 50.805 52.037 -0.166 0.000 0.782 160 A CB 0.462 19.375 19.000 -0.145 0.000 1.109 160 A HN 0.398 nan 8.150 nan 0.000 0.472 161 P HA 0.380 nan 4.420 nan 0.000 0.272 161 P C -0.171 177.109 177.300 -0.033 0.000 1.240 161 P CA -0.175 62.907 63.100 -0.031 0.000 0.791 161 P CB 0.758 32.455 31.700 -0.005 0.000 0.978 192 Y N 2.739 123.069 120.300 0.050 0.000 2.895 192 Y HA -0.069 4.482 4.550 0.001 0.000 0.334 192 Y C 0.029 175.947 175.900 0.031 0.000 1.261 192 Y CA 1.152 59.259 58.100 0.011 0.000 1.560 192 Y CB 0.577 39.048 38.460 0.019 0.000 1.253 192 Y HN 0.128 nan 8.280 nan 0.000 0.582 193 E N 6.618 126.387 120.200 -0.719 0.000 2.063 193 E HA 0.168 4.518 4.350 0.001 0.000 0.265 193 E C -0.673 175.536 176.600 -0.651 0.000 0.919 193 E CA -0.750 55.383 56.400 -0.446 0.000 0.756 193 E CB 0.757 30.322 29.700 -0.224 0.000 1.120 193 E HN 0.514 nan 8.360 nan 0.000 0.414 194 K N 3.925 124.127 120.400 -0.330 0.000 2.489 194 K HA 0.058 4.378 4.320 0.001 0.000 0.278 194 K C -2.062 174.320 176.600 -0.363 0.000 1.000 194 K CA -1.152 54.920 56.287 -0.359 0.000 1.012 194 K CB 0.092 32.495 32.500 -0.161 0.000 0.903 194 K HN 0.266 nan 8.250 nan 0.000 0.485 195 P HA -0.037 nan 4.420 nan 0.000 0.268 195 P C -0.138 177.094 177.300 -0.113 0.000 1.205 195 P CA 0.075 63.046 63.100 -0.216 0.000 0.771 195 P CB 0.859 32.474 31.700 -0.142 0.000 0.858 196 E N 1.667 121.833 120.200 -0.057 0.000 2.102 196 E HA 0.043 4.394 4.350 0.001 0.000 0.190 196 E C 0.733 177.342 176.600 0.015 0.000 0.971 196 E CA 0.926 57.314 56.400 -0.020 0.000 0.821 196 E CB 0.044 29.732 29.700 -0.021 0.000 0.777 196 E HN 0.557 nan 8.360 nan 0.000 0.460 197 A N 2.779 125.614 122.820 0.025 0.000 3.258 197 A HA 0.322 4.642 4.320 0.001 0.000 0.318 197 A C -2.403 175.229 177.584 0.080 0.000 0.990 197 A CA -1.171 50.897 52.037 0.052 0.000 0.885 197 A CB 0.096 19.122 19.000 0.044 0.000 1.090 197 A HN -0.073 nan 8.150 nan 0.000 0.479 198 P HA 0.185 nan 4.420 nan 0.000 0.272 198 P C 0.175 177.557 177.300 0.137 0.000 1.223 198 P CA 0.114 63.299 63.100 0.141 0.000 0.784 198 P CB 1.202 33.021 31.700 0.199 0.000 0.923 199 E N 0.079 120.371 120.200 0.153 0.000 2.204 199 E HA -0.008 4.343 4.350 0.001 0.000 0.195 199 E C 0.294 176.944 176.600 0.083 0.000 0.990 199 E CA 1.155 57.635 56.400 0.133 0.000 0.821 199 E CB -0.153 29.666 29.700 0.198 0.000 0.750 199 E HN 0.221 nan 8.360 nan 0.000 0.477 200 L N -1.240 120.041 121.223 0.096 0.000 2.518 200 L HA 0.388 4.728 4.340 0.001 0.000 0.257 200 L C -1.675 175.255 176.870 0.101 0.000 0.980 200 L CA -0.951 53.924 54.840 0.059 0.000 0.837 200 L CB 2.411 44.474 42.059 0.007 0.000 1.410 200 L HN -0.332 nan 8.230 nan 0.000 0.410 201 V N 4.327 124.273 119.914 0.053 0.000 2.407 201 V HA 0.484 4.605 4.120 0.001 0.000 0.291 201 V C -0.462 175.586 176.094 -0.077 0.000 1.018 201 V CA -0.550 61.757 62.300 0.012 0.000 0.842 201 V CB 1.564 33.402 31.823 0.025 0.000 0.996 201 V HN 0.491 nan 8.190 nan 0.000 0.426 202 L N 5.709 126.852 121.223 -0.133 0.000 2.262 202 L HA 0.502 4.842 4.340 0.001 0.000 0.288 202 L C 0.426 177.171 176.870 -0.207 0.000 1.035 202 L CA -0.593 54.160 54.840 -0.145 0.000 0.820 202 L CB 1.092 43.079 42.059 -0.120 0.000 1.204 202 L HN 0.517 nan 8.230 nan 0.000 0.424 203 K N 2.791 123.093 120.400 -0.164 0.000 2.187 203 K HA 0.104 4.424 4.320 0.001 0.000 0.242 203 K C 1.212 177.734 176.600 -0.130 0.000 1.179 203 K CA -0.112 56.079 56.287 -0.160 0.000 1.097 203 K CB 0.424 32.854 32.500 -0.116 0.000 1.634 203 K HN 0.641 nan 8.250 nan 0.000 0.335 204 T N -2.325 112.143 114.554 -0.143 0.000 2.995 204 T HA -0.103 4.247 4.350 0.001 0.000 0.269 204 T C 1.147 175.791 174.700 -0.093 0.000 1.091 204 T CA 0.845 62.877 62.100 -0.114 0.000 1.128 204 T CB 0.059 68.855 68.868 -0.120 0.000 0.891 204 T HN 0.184 nan 8.240 nan 0.000 0.492 205 D N 1.522 121.866 120.400 -0.094 0.000 2.269 205 D HA -0.000 4.641 4.640 0.001 0.000 0.208 205 D C 2.270 178.533 176.300 -0.061 0.000 0.963 205 D CA 1.313 55.269 54.000 -0.074 0.000 0.864 205 D CB -0.024 40.733 40.800 -0.072 0.000 0.936 205 D HN 0.654 nan 8.370 nan 0.000 0.505 206 S N -1.689 113.972 115.700 -0.065 0.000 2.549 206 S HA 0.116 4.587 4.470 0.001 0.000 0.225 206 S C 0.694 175.265 174.600 -0.050 0.000 1.039 206 S CA -0.475 57.694 58.200 -0.053 0.000 0.942 206 S CB 0.157 63.326 63.200 -0.052 0.000 0.881 206 S HN 0.081 nan 8.310 nan 0.000 0.503 207 C N 3.469 122.734 119.300 -0.058 0.000 2.493 207 C HA 0.753 5.214 4.460 0.001 0.000 0.326 207 C C -0.091 174.867 174.990 -0.054 0.000 1.200 207 C CA -1.229 57.757 59.018 -0.053 0.000 1.739 207 C CB 1.222 28.927 27.740 -0.059 0.000 2.300 207 C HN 0.704 nan 8.230 nan 0.000 0.500 208 D N 0.927 121.299 120.400 -0.046 0.000 2.377 208 D HA 0.198 4.838 4.640 0.001 0.000 0.245 208 D C 0.972 177.241 176.300 -0.052 0.000 1.196 208 D CA -0.574 53.400 54.000 -0.045 0.000 0.962 208 D CB 0.471 41.251 40.800 -0.034 0.000 1.127 208 D HN 0.176 nan 8.370 nan 0.000 0.471 209 V N 0.869 120.752 119.914 -0.051 0.000 2.287 209 V HA -0.273 3.847 4.120 0.001 0.000 0.248 209 V C 1.985 178.044 176.094 -0.058 0.000 1.053 209 V CA 2.033 64.298 62.300 -0.058 0.000 1.027 209 V CB -0.851 30.939 31.823 -0.054 0.000 0.646 209 V HN 0.545 nan 8.190 nan 0.000 0.447 210 N N 0.282 118.956 118.700 -0.044 0.000 2.205 210 N HA -0.169 4.571 4.740 0.001 0.000 0.186 210 N C 1.472 176.946 175.510 -0.059 0.000 1.015 210 N CA 1.594 54.620 53.050 -0.041 0.000 0.862 210 N CB -0.416 38.062 38.487 -0.014 0.000 0.986 210 N HN 0.509 nan 8.380 nan 0.000 0.429 211 D N 0.480 120.847 120.400 -0.056 0.000 2.149 211 D HA -0.006 4.634 4.640 0.001 0.000 0.201 211 D C 2.003 178.254 176.300 -0.081 0.000 0.972 211 D CA 0.381 54.343 54.000 -0.062 0.000 0.835 211 D CB -0.348 40.422 40.800 -0.051 0.000 0.966 211 D HN 0.200 nan 8.370 nan 0.000 0.476 212 C N 0.271 119.520 119.300 -0.084 0.000 2.436 212 C HA -0.082 4.379 4.460 0.001 0.000 0.277 212 C C 2.934 177.853 174.990 -0.118 0.000 1.241 212 C CA 0.254 59.214 59.018 -0.096 0.000 1.721 212 C CB -0.806 26.878 27.740 -0.093 0.000 2.043 212 C HN 0.153 nan 8.230 nan 0.000 0.472 213 V N 0.378 120.217 119.914 -0.125 0.000 2.287 213 V HA -0.254 3.866 4.120 0.001 0.000 0.248 213 V C 2.696 178.647 176.094 -0.238 0.000 1.053 213 V CA 1.844 64.041 62.300 -0.171 0.000 1.027 213 V CB -0.769 30.961 31.823 -0.156 0.000 0.646 213 V HN 0.518 nan 8.190 nan 0.000 0.447 214 Q N -0.150 119.528 119.800 -0.202 0.000 2.077 214 Q HA -0.279 4.062 4.340 0.001 0.000 0.206 214 Q C 2.336 178.228 176.000 -0.180 0.000 0.989 214 Q CA 2.045 57.727 55.803 -0.202 0.000 0.853 214 Q CB -0.440 28.225 28.738 -0.122 0.000 0.907 214 Q HN 0.721 nan 8.270 nan 0.000 0.418 215 Q N -0.705 119.010 119.800 -0.142 0.000 2.135 215 Q HA -0.138 4.203 4.340 0.001 0.000 0.204 215 Q C 2.175 178.083 176.000 -0.154 0.000 0.981 215 Q CA 1.664 57.391 55.803 -0.126 0.000 0.856 215 Q CB -0.023 28.656 28.738 -0.099 0.000 0.902 215 Q HN 0.216 nan 8.270 nan 0.000 0.425 216 V N -0.101 119.707 119.914 -0.177 0.000 2.323 216 V HA -0.204 3.916 4.120 0.001 0.000 0.244 216 V C 2.248 178.195 176.094 -0.245 0.000 1.041 216 V CA 1.280 63.461 62.300 -0.198 0.000 1.025 216 V CB -0.500 31.214 31.823 -0.181 0.000 0.656 216 V HN 0.166 nan 8.190 nan 0.000 0.451 217 V N 0.027 119.762 119.914 -0.298 0.000 2.282 217 V HA -0.334 3.787 4.120 0.001 0.000 0.249 217 V C 2.474 178.428 176.094 -0.234 0.000 1.057 217 V CA 2.331 64.424 62.300 -0.344 0.000 1.032 217 V CB -0.666 30.806 31.823 -0.585 0.000 0.645 217 V HN 0.614 nan 8.190 nan 0.000 0.447 218 E N -0.465 119.618 120.200 -0.196 0.000 2.058 218 E HA -0.275 4.076 4.350 0.001 0.000 0.194 218 E C 2.126 178.637 176.600 -0.148 0.000 0.997 218 E CA 1.606 57.923 56.400 -0.138 0.000 0.801 218 E CB -0.275 29.361 29.700 -0.107 0.000 0.746 218 E HN 0.454 nan 8.360 nan 0.000 0.450 219 L N 0.964 122.072 121.223 -0.191 0.000 2.017 219 L HA -0.179 4.162 4.340 0.001 0.000 0.208 219 L C 1.996 178.668 176.870 -0.330 0.000 1.073 219 L CA 1.624 56.315 54.840 -0.249 0.000 0.745 219 L CB -0.366 41.512 42.059 -0.301 0.000 0.894 219 L HN 0.128 nan 8.230 nan 0.000 0.432 220 L N -1.077 119.945 121.223 -0.335 0.000 2.131 220 L HA -0.212 4.128 4.340 0.001 0.000 0.210 220 L C 2.614 179.408 176.870 -0.127 0.000 1.092 220 L CA 1.213 55.885 54.840 -0.280 0.000 0.759 220 L CB -0.570 41.379 42.059 -0.183 0.000 0.903 220 L HN 0.437 nan 8.230 nan 0.000 0.435 221 Q N -0.064 119.672 119.800 -0.106 0.000 2.049 221 Q HA -0.222 4.118 4.340 0.001 0.000 0.198 221 Q C 2.131 178.112 176.000 -0.032 0.000 0.971 221 Q CA 1.370 57.146 55.803 -0.046 0.000 0.833 221 Q CB 0.003 28.716 28.738 -0.042 0.000 0.896 221 Q HN 0.381 nan 8.270 nan 0.000 0.434 222 E N 0.058 120.226 120.200 -0.053 0.000 2.130 222 E HA -0.177 4.173 4.350 0.001 0.000 0.196 222 E C 1.147 177.748 176.600 0.001 0.000 0.998 222 E CA 1.003 57.386 56.400 -0.029 0.000 0.806 222 E CB 0.259 29.931 29.700 -0.046 0.000 0.738 222 E HN 0.059 nan 8.360 nan 0.000 0.459 223 R N 0.558 121.054 120.500 -0.007 0.000 2.466 223 R HA 0.062 4.402 4.340 0.001 0.000 0.279 223 R C -0.556 175.814 176.300 0.117 0.000 0.976 223 R CA 0.163 56.313 56.100 0.082 0.000 1.081 223 R CB 0.046 30.433 30.300 0.144 0.000 1.215 223 R HN 0.140 nan 8.270 nan 0.000 0.546 224 D N 0.653 121.095 120.400 0.069 0.000 2.746 224 D HA -0.180 4.461 4.640 0.001 0.000 0.236 224 D C 0.733 177.088 176.300 0.093 0.000 1.129 224 D CA 0.551 54.597 54.000 0.077 0.000 0.691 224 D CB -0.678 40.174 40.800 0.086 0.000 1.077 224 D HN 0.204 nan 8.370 nan 0.000 0.432 225 I N -0.709 119.911 120.570 0.084 0.000 2.899 225 I HA 0.020 4.191 4.170 0.001 0.000 0.257 225 I C 1.383 177.535 176.117 0.060 0.000 1.115 225 I CA 0.730 62.082 61.300 0.087 0.000 1.451 225 I CB -0.112 37.967 38.000 0.132 0.000 1.251 225 I HN -0.130 nan 8.210 nan 0.000 0.456 226 V N 3.562 123.503 119.914 0.045 0.000 2.439 226 V HA 0.276 4.397 4.120 0.001 0.000 0.282 226 V C -2.245 173.880 176.094 0.052 0.000 1.039 226 V CA -1.520 60.815 62.300 0.059 0.000 0.913 226 V CB 1.174 33.034 31.823 0.063 0.000 0.983 226 V HN 0.083 nan 8.190 nan 0.000 0.460 227 P HA 0.074 nan 4.420 nan 0.000 0.267 227 P C 1.006 178.339 177.300 0.055 0.000 1.209 227 P CA 0.093 63.228 63.100 0.058 0.000 0.763 227 P CB 0.703 32.443 31.700 0.067 0.000 0.816 228 V N 1.697 121.635 119.914 0.041 0.000 2.546 228 V HA -0.177 3.943 4.120 0.001 0.000 0.254 228 V C 0.846 176.971 176.094 0.053 0.000 1.076 228 V CA 2.122 64.444 62.300 0.036 0.000 1.087 228 V CB -0.737 31.102 31.823 0.026 0.000 0.674 228 V HN 0.709 nan 8.190 nan 0.000 0.470 229 D N -1.765 118.669 120.400 0.057 0.000 2.301 229 D HA 0.330 4.971 4.640 0.001 0.000 0.203 229 D C -0.459 175.878 176.300 0.061 0.000 1.300 229 D CA 0.386 54.426 54.000 0.065 0.000 0.899 229 D CB 1.016 41.847 40.800 0.051 0.000 1.597 229 D HN 0.072 nan 8.370 nan 0.000 0.538 230 A N 2.568 125.432 122.820 0.074 0.000 2.749 230 A HA 0.428 4.749 4.320 0.001 0.000 0.299 230 A C 0.524 178.152 177.584 0.074 0.000 1.105 230 A CA -0.168 51.910 52.037 0.068 0.000 0.987 230 A CB -0.194 18.847 19.000 0.067 0.000 1.180 230 A HN 0.428 nan 8.150 nan 0.000 0.528 231 S N -0.636 115.111 115.700 0.078 0.000 2.579 231 S HA 0.294 4.765 4.470 0.001 0.000 0.275 231 S C 0.057 174.732 174.600 0.125 0.000 1.345 231 S CA -0.373 57.887 58.200 0.099 0.000 1.031 231 S CB 0.117 63.376 63.200 0.098 0.000 0.892 231 S HN 0.466 nan 8.310 nan 0.000 0.529 232 Y N 1.785 122.088 120.300 0.006 0.000 2.981 232 Y HA -0.123 4.428 4.550 0.001 0.000 0.359 232 Y C 1.025 176.925 175.900 -0.000 0.000 1.271 232 Y CA 0.354 58.456 58.100 0.005 0.000 1.617 232 Y CB -0.210 38.253 38.460 0.005 0.000 1.154 232 Y HN 0.779 nan 8.280 nan 0.000 0.570 233 E N 4.483 124.452 120.200 -0.386 0.000 2.366 233 E HA 0.122 4.472 4.350 0.001 0.000 0.266 233 E C -0.783 175.608 176.600 -0.347 0.000 1.015 233 E CA -0.325 55.900 56.400 -0.291 0.000 0.906 233 E CB 0.553 30.106 29.700 -0.245 0.000 0.979 233 E HN 0.432 nan 8.360 nan 0.000 0.443 234 V N 5.733 125.532 119.914 -0.192 0.000 2.508 234 V HA 0.024 4.145 4.120 0.001 0.000 0.281 234 V C 0.593 176.608 176.094 -0.133 0.000 1.041 234 V CA 0.222 62.431 62.300 -0.153 0.000 1.016 234 V CB 0.888 32.628 31.823 -0.139 0.000 0.984 234 V HN 0.527 nan 8.190 nan 0.000 0.478 235 K N 5.443 125.778 120.400 -0.107 0.000 2.300 235 K HA 0.291 4.611 4.320 0.001 0.000 0.264 235 K C 0.117 176.683 176.600 -0.057 0.000 1.083 235 K CA -0.339 55.904 56.287 -0.074 0.000 0.958 235 K CB 0.429 32.894 32.500 -0.059 0.000 1.318 235 K HN 0.758 nan 8.250 nan 0.000 0.448 236 E N 3.232 123.403 120.200 -0.049 0.000 2.404 236 E HA 0.018 4.368 4.350 0.001 0.000 0.261 236 E C 0.438 177.007 176.600 -0.052 0.000 1.074 236 E CA -0.019 56.355 56.400 -0.042 0.000 0.917 236 E CB 0.926 30.649 29.700 0.037 0.000 0.965 236 E HN 0.566 nan 8.360 nan 0.000 0.433 237 L N 1.791 122.940 121.223 -0.124 0.000 2.906 237 L HA 0.203 4.544 4.340 0.001 0.000 0.255 237 L C -0.062 176.736 176.870 -0.119 0.000 1.166 237 L CA -0.316 54.452 54.840 -0.120 0.000 0.977 237 L CB 0.068 42.033 42.059 -0.155 0.000 1.313 237 L HN 0.516 nan 8.230 nan 0.000 0.549 238 Y N 0.903 121.190 120.300 -0.021 0.000 2.610 238 Y HA 0.014 4.565 4.550 0.001 0.000 0.332 238 Y C 0.802 176.694 175.900 -0.014 0.000 1.201 238 Y CA -0.199 57.890 58.100 -0.018 0.000 1.465 238 Y CB 0.922 39.368 38.460 -0.022 0.000 1.283 238 Y HN -0.144 nan 8.280 nan 0.000 0.563 239 V N 6.830 126.859 119.914 0.193 0.000 2.655 239 V HA 0.183 4.304 4.120 0.001 0.000 0.300 239 V C -2.223 173.922 176.094 0.086 0.000 1.044 239 V CA -1.846 60.516 62.300 0.103 0.000 1.095 239 V CB 0.501 32.370 31.823 0.076 0.000 0.952 239 V HN 0.573 nan 8.190 nan 0.000 0.485 240 P HA 0.143 nan 4.420 nan 0.000 0.269 240 P C 0.346 177.656 177.300 0.016 0.000 1.215 240 P CA -0.048 63.070 63.100 0.031 0.000 0.780 240 P CB 0.430 32.143 31.700 0.022 0.000 0.898 241 E N 2.090 122.288 120.200 -0.005 0.000 2.209 241 E HA -0.230 4.121 4.350 0.001 0.000 0.196 241 E C 1.020 177.625 176.600 0.007 0.000 0.993 241 E CA 1.486 57.879 56.400 -0.012 0.000 0.819 241 E CB -1.459 28.223 29.700 -0.030 0.000 0.745 241 E HN 0.515 nan 8.360 nan 0.000 0.477 242 N N 1.195 119.902 118.700 0.012 0.000 2.515 242 N HA -0.100 4.640 4.740 0.001 0.000 0.185 242 N C 0.859 176.388 175.510 0.030 0.000 1.109 242 N CA 0.650 53.712 53.050 0.020 0.000 0.903 242 N CB -0.017 38.479 38.487 0.014 0.000 0.969 242 N HN 0.200 nan 8.380 nan 0.000 0.450 243 K N -0.589 119.831 120.400 0.033 0.000 2.387 243 K HA 0.209 4.530 4.320 0.001 0.000 0.203 243 K C 1.024 177.657 176.600 0.056 0.000 1.030 243 K CA -0.297 56.013 56.287 0.039 0.000 1.099 243 K CB 0.378 32.896 32.500 0.029 0.000 0.863 243 K HN -0.032 nan 8.250 nan 0.000 0.529 244 L N 0.866 122.128 121.223 0.064 0.000 2.027 244 L HA -0.143 4.198 4.340 0.001 0.000 0.206 244 L C 2.084 179.030 176.870 0.126 0.000 1.074 244 L CA 2.009 56.893 54.840 0.074 0.000 0.745 244 L CB -0.465 41.621 42.059 0.046 0.000 0.898 244 L HN 0.340 nan 8.230 nan 0.000 0.433 245 H N -1.443 117.634 119.070 0.011 0.000 2.321 245 H HA -0.160 4.396 4.556 0.001 0.000 0.300 245 H C 2.262 177.598 175.328 0.013 0.000 1.087 245 H CA 1.632 57.687 56.048 0.011 0.000 1.319 245 H CB 0.189 29.955 29.762 0.007 0.000 1.379 245 H HN 0.318 nan 8.280 nan 0.000 0.501 246 L N 0.459 121.713 121.223 0.051 0.000 2.042 246 L HA -0.187 4.153 4.340 0.001 0.000 0.210 246 L C 2.868 179.747 176.870 0.015 0.000 1.076 246 L CA 1.396 56.221 54.840 -0.025 0.000 0.749 246 L CB -0.393 41.654 42.059 -0.020 0.000 0.893 246 L HN 0.369 nan 8.230 nan 0.000 0.432 247 A N -0.370 122.478 122.820 0.047 0.000 1.930 247 A HA -0.184 4.137 4.320 0.001 0.000 0.217 247 A C 2.255 179.874 177.584 0.058 0.000 1.175 247 A CA 1.487 53.551 52.037 0.046 0.000 0.627 247 A CB -0.324 18.706 19.000 0.051 0.000 0.815 247 A HN 0.411 nan 8.150 nan 0.000 0.443 248 K N -0.626 119.826 120.400 0.086 0.000 2.148 248 K HA -0.059 4.261 4.320 0.001 0.000 0.204 248 K C 1.901 178.549 176.600 0.080 0.000 1.050 248 K CA 1.578 57.921 56.287 0.093 0.000 0.942 248 K CB -0.441 32.131 32.500 0.120 0.000 0.724 248 K HN 0.394 nan 8.250 nan 0.000 0.446 249 T N 1.554 116.147 114.554 0.065 0.000 2.737 249 T HA -0.173 4.178 4.350 0.001 0.000 0.265 249 T C 1.612 176.324 174.700 0.020 0.000 1.038 249 T CA 1.880 63.994 62.100 0.023 0.000 1.144 249 T CB -0.364 68.476 68.868 -0.047 0.000 0.866 249 T HN 0.364 nan 8.240 nan 0.000 0.434 250 D N 1.455 121.865 120.400 0.017 0.000 2.144 250 D HA -0.044 4.597 4.640 0.001 0.000 0.199 250 D C 2.151 178.471 176.300 0.032 0.000 0.984 250 D CA 1.200 55.211 54.000 0.019 0.000 0.834 250 D CB -0.312 40.497 40.800 0.015 0.000 0.955 250 D HN 0.345 nan 8.370 nan 0.000 0.465 251 A N -0.067 122.778 122.820 0.042 0.000 1.969 251 A HA -0.128 4.192 4.320 0.001 0.000 0.218 251 A C 2.142 179.759 177.584 0.055 0.000 1.169 251 A CA 1.605 53.673 52.037 0.052 0.000 0.635 251 A CB -0.672 18.362 19.000 0.058 0.000 0.810 251 A HN 0.223 nan 8.150 nan 0.000 0.445 252 E N 0.167 120.396 120.200 0.049 0.000 2.085 252 E HA -0.161 4.190 4.350 0.001 0.000 0.194 252 E C 2.176 178.800 176.600 0.040 0.000 0.994 252 E CA 1.995 58.422 56.400 0.045 0.000 0.801 252 E CB -0.680 29.044 29.700 0.040 0.000 0.743 252 E HN 0.679 nan 8.360 nan 0.000 0.453 253 T N -1.623 112.952 114.554 0.035 0.000 2.996 253 T HA -0.090 4.261 4.350 0.001 0.000 0.271 253 T C 0.862 175.588 174.700 0.043 0.000 1.126 253 T CA 0.458 62.577 62.100 0.033 0.000 1.103 253 T CB -0.350 68.533 68.868 0.025 0.000 0.870 253 T HN 0.008 nan 8.240 nan 0.000 0.528 254 L N 1.105 122.363 121.223 0.058 0.000 2.375 254 L HA 0.540 4.880 4.340 0.001 0.000 0.268 254 L C -2.025 174.898 176.870 0.088 0.000 1.058 254 L CA -2.993 51.895 54.840 0.081 0.000 0.803 254 L CB 0.682 42.804 42.059 0.105 0.000 1.212 254 L HN -0.083 nan 8.230 nan 0.000 0.451 255 P HA 0.236 nan 4.420 nan 0.000 0.272 255 P C -1.223 176.154 177.300 0.128 0.000 1.254 255 P CA -0.340 62.807 63.100 0.078 0.000 0.795 255 P CB 0.540 32.267 31.700 0.044 0.000 1.022 256 A N 0.354 123.222 122.820 0.080 0.000 2.475 256 A HA 0.708 5.028 4.320 0.001 0.000 0.301 256 A C -1.781 175.836 177.584 0.054 0.000 1.059 256 A CA -0.515 51.591 52.037 0.116 0.000 0.710 256 A CB 1.155 20.209 19.000 0.089 0.000 1.288 256 A HN 0.470 nan 8.150 nan 0.000 0.408 257 L N 1.135 122.435 121.223 0.128 0.000 2.406 257 L HA 0.508 4.849 4.340 0.001 0.000 0.272 257 L C -0.482 176.459 176.870 0.118 0.000 0.980 257 L CA -0.197 54.684 54.840 0.069 0.000 0.831 257 L CB 1.556 43.654 42.059 0.065 0.000 1.253 257 L HN 0.701 nan 8.230 nan 0.000 0.406 258 K N 5.857 126.306 120.400 0.082 0.000 2.270 258 K HA 0.576 4.896 4.320 0.001 0.000 0.276 258 K C -0.483 176.188 176.600 0.117 0.000 1.023 258 K CA -0.240 56.110 56.287 0.105 0.000 0.955 258 K CB 1.139 33.684 32.500 0.075 0.000 0.975 258 K HN 0.724 nan 8.250 nan 0.000 0.471 259 I N -0.913 119.760 120.570 0.172 0.000 3.042 259 I HA 0.438 4.609 4.170 0.001 0.000 0.310 259 I C -0.641 175.628 176.117 0.254 0.000 1.117 259 I CA -1.204 60.194 61.300 0.162 0.000 1.003 259 I CB 2.149 40.233 38.000 0.140 0.000 1.228 259 I HN 0.564 nan 8.210 nan 0.000 0.443 260 N N 1.927 120.741 118.700 0.191 0.000 2.681 260 N HA 0.323 5.064 4.740 0.001 0.000 0.311 260 N C 0.367 175.982 175.510 0.175 0.000 1.303 260 N CA -0.787 52.415 53.050 0.253 0.000 0.926 260 N CB 0.545 39.124 38.487 0.154 0.000 1.136 260 N HN 0.782 nan 8.380 nan 0.000 0.592 261 K N -0.727 119.805 120.400 0.220 0.000 2.103 261 K HA 0.004 4.325 4.320 0.001 0.000 0.204 261 K C 1.270 177.900 176.600 0.050 0.000 1.052 261 K CA 0.800 57.147 56.287 0.100 0.000 0.945 261 K CB -0.209 32.465 32.500 0.289 0.000 0.722 261 K HN 0.358 nan 8.250 nan 0.000 0.443 262 V N 2.414 122.367 119.914 0.065 0.000 2.343 262 V HA -0.250 3.870 4.120 0.001 0.000 0.247 262 V C 1.722 177.901 176.094 0.142 0.000 1.051 262 V CA 2.078 64.405 62.300 0.045 0.000 1.036 262 V CB -0.527 31.272 31.823 -0.040 0.000 0.654 262 V HN 0.385 nan 8.190 nan 0.000 0.451 263 D N -0.194 120.308 120.400 0.171 0.000 2.123 263 D HA -0.240 4.401 4.640 0.001 0.000 0.196 263 D C 2.016 178.460 176.300 0.240 0.000 0.992 263 D CA 1.739 55.894 54.000 0.258 0.000 0.833 263 D CB -0.251 40.628 40.800 0.133 0.000 0.954 263 D HN 0.448 nan 8.370 nan 0.000 0.455 264 M N 0.623 120.250 119.600 0.045 0.000 2.319 264 M HA -0.090 4.390 4.480 0.001 0.000 0.265 264 M C 1.850 178.235 176.300 0.142 0.000 1.068 264 M CA 1.271 56.547 55.300 -0.040 0.000 1.118 264 M CB -0.004 32.262 32.600 -0.557 0.000 1.395 264 M HN -0.138 nan 8.290 nan 0.000 0.435 265 Q N -1.418 118.475 119.800 0.155 0.000 2.119 265 Q HA -0.163 4.178 4.340 0.001 0.000 0.201 265 Q C 1.752 177.757 176.000 0.009 0.000 0.972 265 Q CA 2.155 58.004 55.803 0.077 0.000 0.847 265 Q CB -0.331 28.308 28.738 -0.164 0.000 0.903 265 Q HN 0.704 nan 8.270 nan 0.000 0.433 266 W N -0.409 120.967 121.300 0.126 0.000 2.418 266 W HA -0.124 4.537 4.660 0.001 0.000 0.292 266 W C 2.019 178.574 176.519 0.061 0.000 1.213 266 W CA 0.203 57.618 57.345 0.116 0.000 1.283 266 W CB 0.069 29.662 29.460 0.221 0.000 1.119 266 W HN -0.073 nan 8.180 nan 0.000 0.542 267 V N 0.304 120.419 119.914 0.334 0.000 2.392 267 V HA -0.373 3.747 4.120 0.001 0.000 0.249 267 V C 2.190 178.309 176.094 0.042 0.000 1.059 267 V CA 2.280 64.665 62.300 0.141 0.000 1.051 267 V CB -0.839 31.081 31.823 0.163 0.000 0.658 267 V HN 0.301 nan 8.190 nan 0.000 0.455 268 Q N -0.454 119.404 119.800 0.098 0.000 2.083 268 Q HA -0.153 4.187 4.340 0.001 0.000 0.198 268 Q C 2.273 178.368 176.000 0.158 0.000 0.969 268 Q CA 1.739 57.600 55.803 0.096 0.000 0.838 268 Q CB -0.027 28.816 28.738 0.176 0.000 0.900 268 Q HN 0.498 nan 8.270 nan 0.000 0.436 269 V N 1.285 121.307 119.914 0.180 0.000 2.282 269 V HA -0.325 3.795 4.120 0.001 0.000 0.249 269 V C 2.366 178.690 176.094 0.383 0.000 1.057 269 V CA 1.809 64.309 62.300 0.333 0.000 1.032 269 V CB -0.548 31.503 31.823 0.381 0.000 0.645 269 V HN 0.408 nan 8.190 nan 0.000 0.447 270 L N -0.351 120.968 121.223 0.160 0.000 2.005 270 L HA -0.144 4.197 4.340 0.001 0.000 0.207 270 L C 2.761 179.585 176.870 -0.076 0.000 1.072 270 L CA 1.612 56.456 54.840 0.006 0.000 0.744 270 L CB -0.844 41.076 42.059 -0.231 0.000 0.895 270 L HN 0.359 nan 8.230 nan 0.000 0.433 271 A N 0.039 122.736 122.820 -0.204 0.000 1.917 271 A HA -0.255 4.065 4.320 0.001 0.000 0.219 271 A C 2.018 179.349 177.584 -0.421 0.000 1.182 271 A CA 2.009 53.712 52.037 -0.557 0.000 0.633 271 A CB -0.532 17.869 19.000 -0.999 0.000 0.819 271 A HN 0.540 nan 8.150 nan 0.000 0.448 272 E N -1.800 118.329 120.200 -0.118 0.000 2.502 272 E HA 0.280 4.631 4.350 0.001 0.000 0.194 272 E C 1.072 177.571 176.600 -0.169 0.000 1.062 272 E CA 0.272 56.656 56.400 -0.027 0.000 0.867 272 E CB -0.086 29.701 29.700 0.145 0.000 0.888 272 E HN 0.803 nan 8.360 nan 0.000 0.510 273 G N 0.724 109.477 108.800 -0.078 0.000 2.141 273 G HA2 -0.243 3.718 3.960 0.001 0.000 0.231 273 G HA3 -0.243 3.718 3.960 0.001 0.000 0.231 273 G C 0.361 175.262 174.900 0.001 0.000 0.984 273 G CA 0.082 45.136 45.100 -0.077 0.000 0.660 273 G HN 0.339 nan 8.290 nan 0.000 0.525 274 W N 0.168 121.574 121.300 0.177 0.000 2.465 274 W HA 0.416 5.077 4.660 0.001 0.000 0.268 274 W C 2.261 178.970 176.519 0.317 0.000 1.242 274 W CA 1.200 58.691 57.345 0.242 0.000 1.248 274 W CB 0.043 29.691 29.460 0.314 0.000 1.118 274 W HN 0.650 nan 8.180 nan 0.000 0.587 275 A N -0.038 123.109 122.820 0.546 0.000 2.577 275 A HA 0.252 4.572 4.320 0.001 0.000 0.280 275 A C 0.501 178.255 177.584 0.282 0.000 1.331 275 A CA -0.125 52.194 52.037 0.470 0.000 0.935 275 A CB -0.900 18.328 19.000 0.379 0.000 1.082 275 A HN -0.088 nan 8.150 nan 0.000 0.525 276 T N 3.268 117.974 114.554 0.253 0.000 2.905 276 T HA 0.197 4.547 4.350 0.001 0.000 0.299 276 T C -1.766 173.127 174.700 0.322 0.000 1.024 276 T CA 0.289 62.521 62.100 0.220 0.000 1.151 276 T CB 0.621 69.599 68.868 0.182 0.000 0.987 276 T HN 0.335 nan 8.240 nan 0.000 0.535 277 P HA 0.276 nan 4.420 nan 0.000 0.270 277 P C -0.014 177.336 177.300 0.083 0.000 1.754 277 P CA -0.253 62.933 63.100 0.142 0.000 1.202 277 P CB 0.104 31.897 31.700 0.155 0.000 1.592 278 L N 0.645 121.917 121.223 0.082 0.000 2.506 278 L HA 0.053 4.393 4.340 0.001 0.000 0.281 278 L C 1.352 178.223 176.870 0.002 0.000 1.228 278 L CA 0.520 55.382 54.840 0.036 0.000 0.850 278 L CB -0.062 42.008 42.059 0.019 0.000 1.110 278 L HN 0.024 nan 8.230 nan 0.000 0.496 279 N N 0.597 119.289 118.700 -0.013 0.000 2.236 279 N HA 0.229 4.970 4.740 0.001 0.000 0.196 279 N C 0.310 175.783 175.510 -0.060 0.000 1.114 279 N CA 0.166 53.197 53.050 -0.031 0.000 0.859 279 N CB 0.744 39.221 38.487 -0.017 0.000 0.982 279 N HN 0.803 nan 8.380 nan 0.000 0.493 280 G N -0.149 108.600 108.800 -0.086 0.000 2.344 280 G HA2 0.097 4.058 3.960 0.001 0.000 0.282 280 G HA3 0.097 4.058 3.960 0.001 0.000 0.282 280 G C -1.522 173.270 174.900 -0.180 0.000 1.281 280 G CA -1.099 43.905 45.100 -0.159 0.000 0.877 280 G HN -0.000 nan 8.290 nan 0.000 0.494 281 F N 1.508 121.427 119.950 -0.051 0.000 2.607 281 F HA 0.334 4.862 4.527 0.001 0.000 0.374 281 F C 1.746 177.525 175.800 -0.035 0.000 1.104 281 F CA 0.305 58.265 58.000 -0.067 0.000 1.296 281 F CB 0.517 39.462 39.000 -0.092 0.000 1.085 281 F HN 0.146 nan 8.300 nan 0.000 0.584 282 M N 4.286 123.984 119.600 0.163 0.000 2.260 282 M HA 0.043 4.524 4.480 0.001 0.000 0.348 282 M C 0.512 176.917 176.300 0.174 0.000 1.342 282 M CA 0.746 56.123 55.300 0.128 0.000 1.040 282 M CB 0.387 33.071 32.600 0.141 0.000 1.810 282 M HN 0.592 nan 8.290 nan 0.000 0.453 283 R N 1.399 121.930 120.500 0.052 0.000 2.580 283 R HA 0.061 4.402 4.340 0.001 0.000 0.267 283 R C 1.182 177.226 176.300 -0.427 0.000 1.125 283 R CA -0.465 55.577 56.100 -0.097 0.000 1.188 283 R CB 0.450 30.707 30.300 -0.072 0.000 1.155 283 R HN 0.693 nan 8.270 nan 0.000 0.586 284 E N 1.236 120.871 120.200 -0.942 0.000 2.085 284 E HA -0.271 4.080 4.350 0.001 0.000 0.194 284 E C 1.984 178.399 176.600 -0.309 0.000 0.994 284 E CA 1.341 57.080 56.400 -1.102 0.000 0.801 284 E CB 0.126 29.302 29.700 -0.873 0.000 0.743 284 E HN 0.384 nan 8.360 nan 0.000 0.453 285 R N 0.610 120.997 120.500 -0.189 0.000 2.083 285 R HA -0.191 4.150 4.340 0.001 0.000 0.237 285 R C 1.981 178.283 176.300 0.004 0.000 1.137 285 R CA 2.020 58.087 56.100 -0.054 0.000 0.951 285 R CB -0.090 30.186 30.300 -0.040 0.000 0.851 285 R HN 0.219 nan 8.270 nan 0.000 0.434 286 E N -0.633 119.568 120.200 0.003 0.000 2.072 286 E HA -0.238 4.113 4.350 0.001 0.000 0.191 286 E C 1.816 178.468 176.600 0.086 0.000 0.985 286 E CA 1.357 57.784 56.400 0.045 0.000 0.801 286 E CB -0.342 29.383 29.700 0.040 0.000 0.750 286 E HN 0.385 nan 8.360 nan 0.000 0.452 287 Y N 1.595 121.869 120.300 -0.043 0.000 2.165 287 Y HA -0.204 4.346 4.550 0.001 0.000 0.286 287 Y C 1.883 177.773 175.900 -0.017 0.000 1.155 287 Y CA 1.370 59.468 58.100 -0.003 0.000 1.164 287 Y CB -0.173 38.356 38.460 0.114 0.000 0.978 287 Y HN -0.049 nan 8.280 nan 0.000 0.513 288 L N -0.359 120.867 121.223 0.005 0.000 2.093 288 L HA -0.229 4.111 4.340 0.001 0.000 0.208 288 L C 2.481 179.354 176.870 0.006 0.000 1.085 288 L CA 1.437 56.269 54.840 -0.014 0.000 0.755 288 L CB -0.542 41.576 42.059 0.099 0.000 0.904 288 L HN 0.273 nan 8.230 nan 0.000 0.435 289 Q N -0.677 119.166 119.800 0.072 0.000 2.079 289 Q HA -0.230 4.110 4.340 0.001 0.000 0.200 289 Q C 2.610 178.649 176.000 0.065 0.000 0.974 289 Q CA 1.920 57.843 55.803 0.201 0.000 0.840 289 Q CB -0.342 28.510 28.738 0.190 0.000 0.898 289 Q HN 0.758 nan 8.270 nan 0.000 0.430 290 C N -0.096 119.181 119.300 -0.039 0.000 2.432 290 C HA -0.057 4.403 4.460 0.001 0.000 0.277 290 C C 2.385 177.233 174.990 -0.237 0.000 1.249 290 C CA 0.313 59.268 59.018 -0.105 0.000 1.725 290 C CB -1.101 26.578 27.740 -0.103 0.000 2.028 290 C HN 0.440 nan 8.230 nan 0.000 0.477 291 L N -0.034 120.950 121.223 -0.398 0.000 2.093 291 L HA -0.090 4.251 4.340 0.001 0.000 0.208 291 L C 3.064 179.555 176.870 -0.632 0.000 1.085 291 L CA 1.612 56.119 54.840 -0.556 0.000 0.755 291 L CB -0.765 40.828 42.059 -0.778 0.000 0.904 291 L HN 0.532 nan 8.230 nan 0.000 0.435 292 H N -1.629 117.145 119.070 -0.492 0.000 2.431 292 H HA 0.053 4.609 4.556 0.001 0.000 0.295 292 H C 1.558 176.451 175.328 -0.725 0.000 1.038 292 H CA 1.215 56.805 56.048 -0.764 0.000 1.360 292 H CB 0.310 29.317 29.762 -1.257 0.000 1.433 292 H HN 0.325 nan 8.280 nan 0.000 0.536 293 F N -0.215 119.750 119.950 0.026 0.000 2.746 293 F HA 0.151 4.679 4.527 0.001 0.000 0.313 293 F C 0.243 176.023 175.800 -0.034 0.000 1.095 293 F CA -0.315 57.686 58.000 0.001 0.000 1.224 293 F CB 0.841 39.846 39.000 0.008 0.000 1.060 293 F HN -0.155 nan 8.300 nan 0.000 0.584 294 D N 0.264 120.688 120.400 0.040 0.000 3.059 294 D HA -0.190 4.451 4.640 0.001 0.000 0.220 294 D C -0.785 175.532 176.300 0.028 0.000 1.169 294 D CA 0.644 54.639 54.000 -0.008 0.000 0.902 294 D CB -1.514 39.270 40.800 -0.027 0.000 1.116 294 D HN 0.215 nan 8.370 nan 0.000 0.417 295 C N -0.250 119.095 119.300 0.074 0.000 2.985 295 C HA 0.545 5.005 4.460 0.001 0.000 0.314 295 C C 0.300 175.337 174.990 0.078 0.000 1.215 295 C CA -1.185 57.869 59.018 0.060 0.000 1.414 295 C CB 1.600 29.369 27.740 0.048 0.000 1.842 295 C HN 0.168 nan 8.230 nan 0.000 0.477 296 L N 2.441 123.695 121.223 0.052 0.000 2.397 296 L HA 0.362 4.703 4.340 0.001 0.000 0.271 296 L C 0.581 177.470 176.870 0.031 0.000 1.148 296 L CA -0.007 54.864 54.840 0.052 0.000 0.825 296 L CB 0.447 42.537 42.059 0.051 0.000 1.117 296 L HN 0.710 nan 8.230 nan 0.000 0.456 297 L N 0.007 121.246 121.223 0.025 0.000 2.717 297 L HA 0.198 4.539 4.340 0.001 0.000 0.239 297 L C -0.158 176.710 176.870 -0.002 0.000 1.086 297 L CA -0.124 54.712 54.840 -0.007 0.000 0.897 297 L CB 0.359 42.397 42.059 -0.035 0.000 1.214 297 L HN 0.563 nan 8.230 nan 0.000 0.508 298 D N 2.031 122.439 120.400 0.013 0.000 2.338 298 D HA 0.325 4.966 4.640 0.001 0.000 0.255 298 D C 1.063 177.375 176.300 0.019 0.000 1.237 298 D CA 0.913 54.920 54.000 0.012 0.000 0.883 298 D CB 1.083 41.892 40.800 0.015 0.000 1.087 298 D HN 0.298 nan 8.370 nan 0.000 0.485 299 G N 1.957 110.765 108.800 0.014 0.000 2.182 299 G HA2 0.168 4.129 3.960 0.001 0.000 0.248 299 G HA3 0.168 4.129 3.960 0.001 0.000 0.248 299 G C 0.530 175.447 174.900 0.028 0.000 1.042 299 G CA 0.130 45.243 45.100 0.021 0.000 0.775 299 G HN 1.126 nan 8.290 nan 0.000 0.501 300 G N -2.647 106.161 108.800 0.013 0.000 2.697 300 G HA2 0.367 4.328 3.960 0.001 0.000 0.684 300 G HA3 0.367 4.328 3.960 0.001 0.000 0.684 300 G C -0.526 174.373 174.900 -0.003 0.000 1.274 300 G CA -0.147 44.959 45.100 0.010 0.000 0.806 300 G HN 1.464 nan 8.290 nan 0.000 0.644 301 V N 2.899 122.801 119.914 -0.021 0.000 2.432 301 V HA 0.647 4.768 4.120 0.001 0.000 0.271 301 V C 0.838 176.902 176.094 -0.049 0.000 1.046 301 V CA -0.174 62.107 62.300 -0.031 0.000 0.945 301 V CB 1.081 32.879 31.823 -0.041 0.000 0.992 301 V HN 0.798 nan 8.190 nan 0.000 0.471 302 I N 4.360 124.904 120.570 -0.044 0.000 2.730 302 I HA 0.450 4.621 4.170 0.001 0.000 0.298 302 I C -0.046 176.045 176.117 -0.043 0.000 1.089 302 I CA -0.676 60.572 61.300 -0.086 0.000 1.041 302 I CB 1.996 39.905 38.000 -0.152 0.000 1.235 302 I HN 0.589 nan 8.210 nan 0.000 0.423 303 N N 7.750 126.416 118.700 -0.056 0.000 2.468 303 N HA 0.248 4.989 4.740 0.001 0.000 0.265 303 N C -1.533 174.002 175.510 0.043 0.000 1.199 303 N CA 0.386 53.427 53.050 -0.016 0.000 0.928 303 N CB 0.819 39.283 38.487 -0.039 0.000 1.059 303 N HN 0.626 nan 8.380 nan 0.000 0.467 304 L N 3.305 124.563 121.223 0.059 0.000 2.752 304 L HA 0.074 4.415 4.340 0.001 0.000 0.257 304 L C 0.402 177.284 176.870 0.019 0.000 0.968 304 L CA -0.119 54.784 54.840 0.105 0.000 0.953 304 L CB 1.081 43.201 42.059 0.101 0.000 1.286 304 L HN 0.639 nan 8.230 nan 0.000 0.443 305 S N 1.893 117.596 115.700 0.005 0.000 2.559 305 S HA 0.195 4.666 4.470 0.001 0.000 0.226 305 S C 0.166 174.650 174.600 -0.193 0.000 1.000 305 S CA 0.180 58.328 58.200 -0.086 0.000 0.948 305 S CB 0.539 63.700 63.200 -0.066 0.000 0.870 305 S HN 0.394 nan 8.310 nan 0.000 0.497 306 V N -1.103 118.664 119.914 -0.245 0.000 2.604 306 V HA 0.723 4.843 4.120 0.001 0.000 0.305 306 V C -3.390 172.464 176.094 -0.400 0.000 1.043 306 V CA -2.973 59.087 62.300 -0.401 0.000 0.888 306 V CB 1.350 32.837 31.823 -0.560 0.000 0.995 306 V HN -0.120 nan 8.190 nan 0.000 0.429 307 P HA 0.343 nan 4.420 nan 0.000 0.265 307 P C -0.509 176.515 177.300 -0.460 0.000 1.193 307 P CA 0.418 63.401 63.100 -0.195 0.000 0.765 307 P CB 0.333 32.060 31.700 0.045 0.000 0.823 308 I N 4.044 124.389 120.570 -0.376 0.000 2.555 308 I HA 0.247 4.418 4.170 0.001 0.000 0.275 308 I C 0.026 176.077 176.117 -0.109 0.000 1.082 308 I CA -0.678 60.317 61.300 -0.509 0.000 1.167 308 I CB 0.809 38.550 38.000 -0.433 0.000 1.312 308 I HN 0.106 nan 8.210 nan 0.000 0.493 309 V N 3.385 123.207 119.914 -0.152 0.000 3.078 309 V HA 0.674 4.795 4.120 0.001 0.000 0.311 309 V C -1.418 174.441 176.094 -0.391 0.000 1.138 309 V CA -0.978 61.256 62.300 -0.109 0.000 1.007 309 V CB 2.609 34.246 31.823 -0.309 0.000 1.045 309 V HN 0.398 nan 8.190 nan 0.000 0.432 310 L N 3.107 123.932 121.223 -0.663 0.000 2.333 310 L HA 0.852 5.193 4.340 0.001 0.000 0.280 310 L C 0.363 176.932 176.870 -0.501 0.000 1.004 310 L CA 0.392 54.743 54.840 -0.815 0.000 0.820 310 L CB 1.801 43.135 42.059 -1.209 0.000 1.247 310 L HN 1.196 nan 8.230 nan 0.000 0.416 311 T N 2.094 116.424 114.554 -0.374 0.000 2.927 311 T HA 0.965 5.315 4.350 0.001 0.000 0.281 311 T C -0.236 174.391 174.700 -0.122 0.000 0.998 311 T CA -0.205 61.732 62.100 -0.272 0.000 1.019 311 T CB 1.745 70.484 68.868 -0.214 0.000 1.061 311 T HN 1.110 nan 8.240 nan 0.000 0.518 312 A N 1.265 124.074 122.820 -0.018 0.000 2.594 312 A HA 0.699 5.020 4.320 0.001 0.000 0.296 312 A C 0.158 177.826 177.584 0.140 0.000 1.061 312 A CA -0.752 51.315 52.037 0.051 0.000 0.689 312 A CB 0.791 19.840 19.000 0.081 0.000 1.280 312 A HN 1.329 nan 8.150 nan 0.000 0.406 313 T N -0.992 113.622 114.554 0.099 0.000 2.828 313 T HA 0.273 4.624 4.350 0.001 0.000 0.290 313 T C 1.211 176.014 174.700 0.172 0.000 1.019 313 T CA 0.437 62.627 62.100 0.149 0.000 1.031 313 T CB 0.451 69.368 68.868 0.082 0.000 1.001 313 T HN 0.768 nan 8.240 nan 0.000 0.531 314 H N 1.054 120.233 119.070 0.182 0.000 2.357 314 H HA -0.162 4.395 4.556 0.001 0.000 0.296 314 H C 1.651 176.932 175.328 -0.079 0.000 1.108 314 H CA 2.648 58.747 56.048 0.085 0.000 1.273 314 H CB 0.030 29.881 29.762 0.148 0.000 1.367 314 H HN 0.787 nan 8.280 nan 0.000 0.498 315 E N 0.478 120.664 120.200 -0.023 0.000 2.077 315 E HA -0.119 4.232 4.350 0.001 0.000 0.193 315 E C 2.076 178.568 176.600 -0.180 0.000 0.989 315 E CA 1.255 57.599 56.400 -0.093 0.000 0.800 315 E CB -0.168 29.527 29.700 -0.009 0.000 0.746 315 E HN 0.530 nan 8.360 nan 0.000 0.452 316 D N 0.182 120.496 120.400 -0.144 0.000 2.144 316 D HA -0.129 4.512 4.640 0.001 0.000 0.200 316 D C 1.751 177.871 176.300 -0.299 0.000 0.978 316 D CA 0.722 54.611 54.000 -0.184 0.000 0.833 316 D CB -0.035 40.694 40.800 -0.119 0.000 0.961 316 D HN 0.061 nan 8.370 nan 0.000 0.470 317 K N 1.290 121.464 120.400 -0.376 0.000 2.026 317 K HA -0.164 4.157 4.320 0.001 0.000 0.208 317 K C 1.822 177.929 176.600 -0.823 0.000 1.048 317 K CA 1.071 56.939 56.287 -0.699 0.000 0.929 317 K CB 0.004 31.926 32.500 -0.964 0.000 0.713 317 K HN 0.103 nan 8.250 nan 0.000 0.439 318 E N 0.096 119.885 120.200 -0.686 0.000 2.150 318 E HA -0.182 4.169 4.350 0.001 0.000 0.193 318 E C 2.196 178.557 176.600 -0.399 0.000 0.985 318 E CA 0.776 56.836 56.400 -0.567 0.000 0.814 318 E CB 0.036 29.421 29.700 -0.526 0.000 0.752 318 E HN 0.253 nan 8.360 nan 0.000 0.466 319 R N 0.439 120.738 120.500 -0.336 0.000 2.092 319 R HA -0.104 4.237 4.340 0.001 0.000 0.231 319 R C 1.876 178.018 176.300 -0.264 0.000 1.119 319 R CA 1.152 57.105 56.100 -0.247 0.000 0.970 319 R CB 0.006 30.185 30.300 -0.201 0.000 0.864 319 R HN 0.163 nan 8.270 nan 0.000 0.440 320 L N 0.121 121.130 121.223 -0.356 0.000 2.513 320 L HA 0.148 4.489 4.340 0.001 0.000 0.222 320 L C 0.339 177.041 176.870 -0.281 0.000 1.096 320 L CA -0.384 54.271 54.840 -0.307 0.000 0.857 320 L CB 0.022 41.832 42.059 -0.416 0.000 1.026 320 L HN 0.155 nan 8.230 nan 0.000 0.469 321 D N 0.366 120.399 120.400 -0.611 0.000 2.390 321 D HA 0.304 4.944 4.640 0.001 0.000 0.249 321 D C 1.058 177.215 176.300 -0.238 0.000 1.144 321 D CA 1.389 55.001 54.000 -0.646 0.000 0.880 321 D CB 1.324 41.578 40.800 -0.910 0.000 1.182 321 D HN 0.260 nan 8.370 nan 0.000 0.451 322 G N 2.428 111.195 108.800 -0.054 0.000 2.284 322 G HA2 -0.245 3.716 3.960 0.001 0.000 0.216 322 G HA3 -0.245 3.716 3.960 0.001 0.000 0.216 322 G C 0.693 175.619 174.900 0.043 0.000 1.009 322 G CA 0.055 45.147 45.100 -0.015 0.000 0.625 322 G HN 1.008 nan 8.290 nan 0.000 0.501 323 C N 2.087 121.437 119.300 0.082 0.000 2.601 323 C HA 0.757 5.218 4.460 0.001 0.000 0.409 323 C C 2.111 177.202 174.990 0.169 0.000 1.293 323 C CA 0.971 60.063 59.018 0.122 0.000 2.101 323 C CB 0.714 28.547 27.740 0.155 0.000 2.639 323 C HN 1.101 nan 8.230 nan 0.000 0.592 324 T N 0.345 114.973 114.554 0.124 0.000 3.107 324 T HA 0.486 4.837 4.350 0.001 0.000 0.249 324 T C 0.366 175.123 174.700 0.094 0.000 1.096 324 T CA 0.536 62.698 62.100 0.103 0.000 1.012 324 T CB -0.217 68.689 68.868 0.063 0.000 0.977 324 T HN 2.006 nan 8.240 nan 0.000 0.527 325 A N 0.786 123.687 122.820 0.136 0.000 2.599 325 A HA 0.659 4.979 4.320 0.001 0.000 0.294 325 A C -1.535 176.172 177.584 0.205 0.000 1.055 325 A CA -1.247 50.839 52.037 0.082 0.000 0.683 325 A CB 0.714 19.731 19.000 0.027 0.000 1.278 325 A HN 0.801 nan 8.150 nan 0.000 0.412 326 F N -0.976 118.999 119.950 0.043 0.000 2.693 326 F HA 0.872 5.400 4.527 0.001 0.000 0.309 326 F C -0.247 175.581 175.800 0.046 0.000 1.129 326 F CA -0.661 57.365 58.000 0.043 0.000 0.948 326 F CB 1.124 40.153 39.000 0.049 0.000 1.315 326 F HN 1.169 nan 8.300 nan 0.000 0.447 327 A N 2.887 125.868 122.820 0.268 0.000 2.306 327 A HA 0.770 5.090 4.320 0.001 0.000 0.314 327 A C -0.885 176.847 177.584 0.245 0.000 1.164 327 A CA -0.853 51.279 52.037 0.157 0.000 0.822 327 A CB 0.743 19.818 19.000 0.126 0.000 1.130 327 A HN 0.833 nan 8.150 nan 0.000 0.496 328 L N 2.224 123.543 121.223 0.161 0.000 2.305 328 L HA 0.489 4.830 4.340 0.001 0.000 0.281 328 L C 0.108 177.079 176.870 0.168 0.000 1.085 328 L CA 0.044 54.997 54.840 0.188 0.000 0.813 328 L CB 1.107 43.264 42.059 0.164 0.000 1.157 328 L HN 0.829 nan 8.230 nan 0.000 0.436 329 M N 4.405 124.111 119.600 0.175 0.000 2.190 329 M HA 0.374 4.854 4.480 0.001 0.000 0.312 329 M C -1.892 174.540 176.300 0.220 0.000 0.990 329 M CA -0.540 54.856 55.300 0.160 0.000 0.927 329 M CB 1.563 34.233 32.600 0.117 0.000 1.571 329 M HN 0.486 nan 8.290 nan 0.000 0.427 330 Y N 3.628 123.968 120.300 0.067 0.000 2.376 330 Y HA 0.339 4.890 4.550 0.001 0.000 0.340 330 Y C -0.183 175.750 175.900 0.054 0.000 0.965 330 Y CA -0.448 57.693 58.100 0.068 0.000 1.078 330 Y CB 1.247 39.749 38.460 0.070 0.000 1.193 330 Y HN 0.894 nan 8.280 nan 0.000 0.452 331 E N 4.240 124.110 120.200 -0.551 0.000 2.238 331 E HA -0.289 4.062 4.350 0.001 0.000 0.219 331 E C 1.107 177.619 176.600 -0.146 0.000 1.275 331 E CA 1.059 57.229 56.400 -0.384 0.000 0.714 331 E CB -1.252 28.141 29.700 -0.512 0.000 1.154 331 E HN 1.204 nan 8.360 nan 0.000 0.363 332 G N -0.253 108.508 108.800 -0.065 0.000 2.205 332 G HA2 -0.388 3.573 3.960 0.001 0.000 0.261 332 G HA3 -0.388 3.573 3.960 0.001 0.000 0.261 332 G C 0.286 175.191 174.900 0.008 0.000 0.980 332 G CA 0.557 45.647 45.100 -0.017 0.000 0.632 332 G HN 0.327 nan 8.290 nan 0.000 0.533 333 R N 0.214 120.722 120.500 0.013 0.000 2.428 333 R HA 0.556 4.897 4.340 0.001 0.000 0.294 333 R C 0.149 176.497 176.300 0.080 0.000 1.000 333 R CA -0.814 55.312 56.100 0.044 0.000 0.960 333 R CB 0.906 31.232 30.300 0.042 0.000 1.076 333 R HN 0.188 nan 8.270 nan 0.000 0.475 334 R N 1.740 122.285 120.500 0.076 0.000 2.248 334 R HA 0.032 4.373 4.340 0.001 0.000 0.337 334 R C 1.210 177.566 176.300 0.094 0.000 1.085 334 R CA -0.160 55.993 56.100 0.090 0.000 0.934 334 R CB 0.555 30.903 30.300 0.079 0.000 1.034 334 R HN 0.536 nan 8.270 nan 0.000 0.465 335 V N -0.417 119.564 119.914 0.111 0.000 3.471 335 V HA 0.462 4.583 4.120 0.001 0.000 0.258 335 V C 0.572 176.722 176.094 0.093 0.000 1.192 335 V CA 0.514 62.877 62.300 0.106 0.000 1.116 335 V CB 0.091 31.987 31.823 0.122 0.000 0.792 335 V HN 0.625 nan 8.190 nan 0.000 0.459 336 A N -0.171 122.699 122.820 0.083 0.000 2.599 336 A HA 0.787 5.108 4.320 0.001 0.000 0.294 336 A C -1.329 176.272 177.584 0.028 0.000 1.055 336 A CA -0.588 51.482 52.037 0.055 0.000 0.683 336 A CB 1.195 20.229 19.000 0.057 0.000 1.278 336 A HN 0.232 nan 8.150 nan 0.000 0.412 337 I N 0.886 121.451 120.570 -0.008 0.000 2.460 337 I HA 0.504 4.674 4.170 0.001 0.000 0.298 337 I C -0.775 175.255 176.117 -0.144 0.000 0.989 337 I CA -0.786 60.475 61.300 -0.065 0.000 1.173 337 I CB 1.818 39.797 38.000 -0.034 0.000 1.338 337 I HN 0.548 nan 8.210 nan 0.000 0.456 338 L N 6.766 127.792 121.223 -0.329 0.000 2.298 338 L HA 0.497 4.838 4.340 0.001 0.000 0.284 338 L C -0.333 176.320 176.870 -0.362 0.000 1.013 338 L CA -0.023 54.584 54.840 -0.388 0.000 0.824 338 L CB 0.646 42.301 42.059 -0.674 0.000 1.221 338 L HN 0.502 nan 8.230 nan 0.000 0.418 339 R N 3.700 124.094 120.500 -0.176 0.000 2.598 339 R HA 0.417 4.758 4.340 0.001 0.000 0.279 339 R C -0.095 176.171 176.300 -0.057 0.000 0.984 339 R CA -0.734 55.310 56.100 -0.094 0.000 0.999 339 R CB 0.872 31.143 30.300 -0.049 0.000 1.114 339 R HN 0.711 nan 8.270 nan 0.000 0.493 340 N N 0.869 119.564 118.700 -0.008 0.000 2.688 340 N HA -0.122 4.619 4.740 0.001 0.000 0.258 340 N C -2.528 172.988 175.510 0.010 0.000 1.016 340 N CA 0.475 53.536 53.050 0.019 0.000 0.747 340 N CB -1.191 37.304 38.487 0.013 0.000 0.895 340 N HN 0.427 nan 8.380 nan 0.000 0.543 341 P HA 0.105 nan 4.420 nan 0.000 0.272 341 P C 0.014 177.289 177.300 -0.041 0.000 1.223 341 P CA 0.306 63.370 63.100 -0.061 0.000 0.784 341 P CB 0.741 32.419 31.700 -0.036 0.000 0.923 342 E N 1.133 121.264 120.200 -0.116 0.000 2.266 342 E HA 0.584 4.935 4.350 0.001 0.000 0.268 342 E C -1.468 175.095 176.600 -0.063 0.000 0.879 342 E CA -0.791 55.625 56.400 0.026 0.000 0.762 342 E CB 1.128 30.898 29.700 0.116 0.000 1.199 342 E HN 0.141 nan 8.360 nan 0.000 0.422 343 F N 2.431 122.527 119.950 0.242 0.000 2.443 343 F HA 0.594 5.122 4.527 0.001 0.000 0.335 343 F C -0.343 175.792 175.800 0.558 0.000 1.104 343 F CA -0.709 57.446 58.000 0.258 0.000 1.013 343 F CB 1.121 40.097 39.000 -0.040 0.000 1.136 343 F HN 0.526 nan 8.300 nan 0.000 0.470 344 F N -1.549 118.737 119.950 0.559 0.000 2.711 344 F HA 0.577 5.104 4.527 0.001 0.000 0.313 344 F C -0.910 174.959 175.800 0.114 0.000 1.141 344 F CA -1.478 56.755 58.000 0.387 0.000 0.941 344 F CB 0.993 40.091 39.000 0.163 0.000 1.349 344 F HN 0.291 nan 8.300 nan 0.000 0.464 345 E N 1.123 121.271 120.200 -0.087 0.000 2.344 345 E HA 0.018 4.369 4.350 0.001 0.000 0.270 345 E C 0.454 176.901 176.600 -0.256 0.000 1.021 345 E CA 0.137 56.258 56.400 -0.466 0.000 0.887 345 E CB 0.788 30.300 29.700 -0.313 0.000 0.997 345 E HN 0.858 nan 8.360 nan 0.000 0.429 346 H N 4.763 123.561 119.070 -0.453 0.000 2.253 346 H HA -0.105 4.451 4.556 0.001 0.000 0.296 346 H C -0.149 175.139 175.328 -0.066 0.000 1.074 346 H CA 1.228 57.098 56.048 -0.297 0.000 1.263 346 H CB 0.312 29.910 29.762 -0.272 0.000 1.363 346 H HN 0.451 nan 8.280 nan 0.000 0.489 347 R N 0.198 120.668 120.500 -0.050 0.000 2.958 347 R HA -0.150 4.191 4.340 0.001 0.000 0.277 347 R C 0.411 176.654 176.300 -0.095 0.000 0.940 347 R CA 0.691 56.763 56.100 -0.047 0.000 0.664 347 R CB -1.220 29.106 30.300 0.044 0.000 1.551 347 R HN 0.548 nan 8.270 nan 0.000 0.455 348 K N 1.339 121.589 120.400 -0.250 0.000 2.062 348 K HA -0.151 4.170 4.320 0.001 0.000 0.205 348 K C 1.910 178.432 176.600 -0.129 0.000 1.051 348 K CA 1.466 57.565 56.287 -0.313 0.000 0.941 348 K CB 0.034 32.300 32.500 -0.389 0.000 0.719 348 K HN 0.500 nan 8.250 nan 0.000 0.440 349 E N 1.533 121.676 120.200 -0.097 0.000 2.058 349 E HA -0.272 4.078 4.350 0.001 0.000 0.194 349 E C 2.070 178.661 176.600 -0.015 0.000 0.997 349 E CA 1.395 57.766 56.400 -0.049 0.000 0.801 349 E CB 0.101 29.775 29.700 -0.043 0.000 0.746 349 E HN 0.294 nan 8.360 nan 0.000 0.450 350 E N 0.584 120.776 120.200 -0.014 0.000 2.077 350 E HA -0.247 4.103 4.350 0.001 0.000 0.193 350 E C 2.346 178.944 176.600 -0.004 0.000 0.989 350 E CA 0.920 57.316 56.400 -0.006 0.000 0.800 350 E CB -0.126 29.572 29.700 -0.003 0.000 0.746 350 E HN 0.129 nan 8.360 nan 0.000 0.452 351 R N 0.205 120.722 120.500 0.029 0.000 2.070 351 R HA -0.159 4.182 4.340 0.001 0.000 0.233 351 R C 2.374 178.752 176.300 0.129 0.000 1.137 351 R CA 1.895 58.033 56.100 0.063 0.000 0.945 351 R CB -0.667 29.756 30.300 0.207 0.000 0.845 351 R HN 0.337 nan 8.270 nan 0.000 0.430 352 C N 0.505 119.915 119.300 0.183 0.000 2.413 352 C HA -0.089 4.372 4.460 0.001 0.000 0.276 352 C C 2.996 178.153 174.990 0.279 0.000 1.236 352 C CA 0.908 60.124 59.018 0.329 0.000 1.735 352 C CB -1.204 26.591 27.740 0.092 0.000 2.031 352 C HN 0.723 nan 8.230 nan 0.000 0.474 353 A N 0.527 123.420 122.820 0.122 0.000 1.908 353 A HA -0.215 4.105 4.320 0.001 0.000 0.218 353 A C 2.246 179.875 177.584 0.075 0.000 1.181 353 A CA 1.657 53.752 52.037 0.097 0.000 0.627 353 A CB -0.526 18.500 19.000 0.043 0.000 0.818 353 A HN 0.696 nan 8.150 nan 0.000 0.445 354 R N -1.193 119.309 120.500 0.002 0.000 2.115 354 R HA -0.083 4.258 4.340 0.001 0.000 0.226 354 R C 2.493 178.725 176.300 -0.113 0.000 1.100 354 R CA 1.372 57.421 56.100 -0.085 0.000 0.980 354 R CB -0.225 29.953 30.300 -0.204 0.000 0.875 354 R HN 0.792 nan 8.270 nan 0.000 0.445 355 Q N -0.286 119.443 119.800 -0.119 0.000 2.096 355 Q HA -0.102 4.238 4.340 0.001 0.000 0.197 355 Q C 1.256 177.032 176.000 -0.373 0.000 0.964 355 Q CA 0.997 56.585 55.803 -0.358 0.000 0.838 355 Q CB 0.287 28.663 28.738 -0.604 0.000 0.906 355 Q HN 0.403 nan 8.270 nan 0.000 0.444 356 W N -0.685 120.620 121.300 0.007 0.000 3.107 356 W HA 0.309 4.970 4.660 0.001 0.000 0.293 356 W C 0.816 177.477 176.519 0.237 0.000 1.239 356 W CA 0.697 58.118 57.345 0.127 0.000 1.653 356 W CB 0.581 30.062 29.460 0.036 0.000 1.068 356 W HN 0.459 nan 8.180 nan 0.000 0.615 357 G N 1.843 110.825 108.800 0.304 0.000 2.160 357 G HA2 -0.255 3.706 3.960 0.001 0.000 0.251 357 G HA3 -0.255 3.706 3.960 0.001 0.000 0.251 357 G C 0.043 175.072 174.900 0.216 0.000 1.008 357 G CA 1.050 46.306 45.100 0.261 0.000 0.724 357 G HN 0.246 nan 8.290 nan 0.000 0.514 358 T N -2.305 112.367 114.554 0.195 0.000 2.831 358 T HA 0.574 4.924 4.350 0.001 0.000 0.333 358 T C 0.670 175.411 174.700 0.069 0.000 1.684 358 T CA 1.000 63.164 62.100 0.108 0.000 1.049 358 T CB 0.769 69.668 68.868 0.050 0.000 1.518 358 T HN 1.194 nan 8.240 nan 0.000 0.491 359 T N -0.253 114.311 114.554 0.016 0.000 3.132 359 T HA 0.238 4.588 4.350 0.001 0.000 0.274 359 T C 1.146 175.803 174.700 -0.071 0.000 1.011 359 T CA -0.063 62.016 62.100 -0.035 0.000 0.899 359 T CB -0.966 67.893 68.868 -0.015 0.000 1.089 359 T HN 0.809 nan 8.240 nan 0.000 0.543 360 C N 4.334 123.589 119.300 -0.075 0.000 2.271 360 C HA 0.092 4.553 4.460 0.001 0.000 0.397 360 C C 2.123 177.058 174.990 -0.092 0.000 1.533 360 C CA 0.068 59.035 59.018 -0.084 0.000 1.433 360 C CB -0.910 26.722 27.740 -0.180 0.000 2.511 360 C HN 0.868 nan 8.230 nan 0.000 0.610 361 K N 3.923 124.285 120.400 -0.064 0.000 2.283 361 K HA -0.067 4.254 4.320 0.001 0.000 0.202 361 K C 1.138 177.709 176.600 -0.049 0.000 1.048 361 K CA 1.880 58.127 56.287 -0.066 0.000 0.948 361 K CB -0.149 32.323 32.500 -0.047 0.000 0.742 361 K HN 0.677 nan 8.250 nan 0.000 0.458 362 N N 0.750 119.431 118.700 -0.032 0.000 2.322 362 N HA -0.047 4.694 4.740 0.001 0.000 0.194 362 N C -0.644 174.870 175.510 0.007 0.000 1.126 362 N CA 0.084 53.125 53.050 -0.014 0.000 0.845 362 N CB -0.117 38.362 38.487 -0.012 0.000 0.976 362 N HN 0.498 nan 8.380 nan 0.000 0.475 363 H N 2.228 121.211 119.070 -0.146 0.000 2.764 363 H HA 0.083 4.640 4.556 0.001 0.000 0.341 363 H C -1.226 174.045 175.328 -0.095 0.000 1.072 363 H CA -1.356 54.603 56.048 -0.147 0.000 1.444 363 H CB 1.630 31.241 29.762 -0.252 0.000 1.458 363 H HN -0.053 nan 8.280 nan 0.000 0.572 364 P HA -0.200 nan 4.420 nan 0.000 0.219 364 P C 0.976 178.477 177.300 0.334 0.000 1.150 364 P CA 1.207 64.489 63.100 0.303 0.000 0.814 364 P CB 0.043 31.924 31.700 0.302 0.000 0.787 365 Y N 0.571 121.076 120.300 0.342 0.000 2.220 365 Y HA -0.041 4.510 4.550 0.001 0.000 0.291 365 Y C 2.522 178.196 175.900 -0.376 0.000 1.129 365 Y CA 1.111 59.169 58.100 -0.071 0.000 1.161 365 Y CB -0.825 37.777 38.460 0.237 0.000 0.997 365 Y HN -0.258 nan 8.280 nan 0.000 0.522 366 I N 0.157 120.416 120.570 -0.519 0.000 2.264 366 I HA -0.358 3.812 4.170 0.001 0.000 0.248 366 I C 2.496 178.435 176.117 -0.296 0.000 1.111 366 I CA 1.674 62.597 61.300 -0.628 0.000 1.382 366 I CB -0.382 37.144 38.000 -0.792 0.000 1.060 366 I HN 0.174 nan 8.210 nan 0.000 0.418 367 K N 1.161 121.451 120.400 -0.183 0.000 2.057 367 K HA -0.194 4.126 4.320 0.001 0.000 0.207 367 K C 2.220 178.724 176.600 -0.160 0.000 1.049 367 K CA 1.493 57.704 56.287 -0.127 0.000 0.931 367 K CB -0.028 32.439 32.500 -0.055 0.000 0.714 367 K HN 0.223 nan 8.250 nan 0.000 0.440 368 M N 0.299 119.750 119.600 -0.249 0.000 2.117 368 M HA -0.160 4.320 4.480 0.001 0.000 0.262 368 M C 2.161 178.325 176.300 -0.228 0.000 1.065 368 M CA 1.221 56.335 55.300 -0.311 0.000 1.114 368 M CB -0.213 32.025 32.600 -0.603 0.000 1.361 368 M HN -0.009 nan 8.290 nan 0.000 0.408 369 V N 0.382 120.181 119.914 -0.191 0.000 2.407 369 V HA -0.254 3.867 4.120 0.001 0.000 0.248 369 V C 2.502 178.557 176.094 -0.065 0.000 1.055 369 V CA 1.371 63.651 62.300 -0.033 0.000 1.049 369 V CB -0.510 31.351 31.823 0.063 0.000 0.662 369 V HN 0.471 nan 8.190 nan 0.000 0.455 370 M N -0.630 118.899 119.600 -0.118 0.000 2.374 370 M HA -0.078 4.403 4.480 0.001 0.000 0.264 370 M C 1.817 178.068 176.300 -0.082 0.000 1.067 370 M CA 1.254 56.485 55.300 -0.114 0.000 1.103 370 M CB -1.046 31.486 32.600 -0.114 0.000 1.402 370 M HN 0.432 nan 8.290 nan 0.000 0.444 371 E N -0.426 119.730 120.200 -0.072 0.000 2.479 371 E HA 0.041 4.392 4.350 0.001 0.000 0.193 371 E C 0.330 176.915 176.600 -0.026 0.000 1.049 371 E CA -0.107 56.264 56.400 -0.048 0.000 0.870 371 E CB 0.326 29.995 29.700 -0.052 0.000 0.944 371 E HN 0.561 nan 8.360 nan 0.000 0.492 372 Q N -0.147 119.648 119.800 -0.008 0.000 2.237 372 Q HA 0.369 4.710 4.340 0.001 0.000 0.219 372 Q C 0.573 176.610 176.000 0.062 0.000 0.999 372 Q CA -0.552 55.270 55.803 0.032 0.000 0.959 372 Q CB 0.923 29.708 28.738 0.078 0.000 1.173 372 Q HN 0.164 nan 8.270 nan 0.000 0.527 373 G N -0.100 108.747 108.800 0.079 0.000 2.653 373 G HA2 -0.030 3.931 3.960 0.001 0.000 0.265 373 G HA3 -0.030 3.931 3.960 0.001 0.000 0.265 373 G C -0.345 174.635 174.900 0.132 0.000 1.237 373 G CA -0.345 44.818 45.100 0.105 0.000 0.946 373 G HN 0.586 nan 8.290 nan 0.000 0.522 374 D N -1.011 119.434 120.400 0.076 0.000 2.355 374 D HA 0.074 4.715 4.640 0.001 0.000 0.218 374 D C -0.167 175.917 176.300 -0.360 0.000 1.004 374 D CA 0.338 54.264 54.000 -0.122 0.000 0.880 374 D CB 0.194 40.880 40.800 -0.190 0.000 0.911 374 D HN 0.335 nan 8.370 nan 0.000 0.528 375 W N 0.404 121.706 121.300 0.003 0.000 2.627 375 W HA 0.537 5.198 4.660 0.001 0.000 0.339 375 W C -0.129 176.203 176.519 -0.312 0.000 1.058 375 W CA -0.738 56.548 57.345 -0.098 0.000 1.223 375 W CB 1.099 30.560 29.460 0.000 0.000 1.389 375 W HN -0.355 nan 8.180 nan 0.000 0.541 376 L N 3.356 124.367 121.223 -0.353 0.000 2.330 376 L HA 0.645 4.986 4.340 0.001 0.000 0.271 376 L C -0.454 176.098 176.870 -0.530 0.000 1.013 376 L CA -1.158 53.267 54.840 -0.691 0.000 0.816 376 L CB 1.461 42.661 42.059 -1.432 0.000 1.287 376 L HN 0.240 nan 8.230 nan 0.000 0.435 377 I N 1.143 121.459 120.570 -0.422 0.000 2.410 377 I HA 0.475 4.646 4.170 0.001 0.000 0.286 377 I C 0.289 176.311 176.117 -0.158 0.000 1.009 377 I CA -0.315 60.767 61.300 -0.364 0.000 1.111 377 I CB 1.831 39.629 38.000 -0.336 0.000 1.262 377 I HN 0.617 nan 8.210 nan 0.000 0.443 378 G N 3.299 112.115 108.800 0.026 0.000 2.471 378 G HA2 0.881 4.841 3.960 0.001 0.000 0.332 378 G HA3 0.881 4.841 3.960 0.001 0.000 0.332 378 G C -0.446 174.461 174.900 0.012 0.000 1.176 378 G CA -0.670 44.496 45.100 0.110 0.000 0.949 378 G HN 0.906 nan 8.290 nan 0.000 0.488 379 G N -0.579 108.242 108.800 0.034 0.000 2.315 379 G HA2 0.396 4.357 3.960 0.001 0.000 0.294 379 G HA3 0.396 4.357 3.960 0.001 0.000 0.294 379 G C -1.950 172.944 174.900 -0.011 0.000 1.300 379 G CA -0.837 44.254 45.100 -0.015 0.000 0.843 379 G HN 0.512 nan 8.290 nan 0.000 0.527 380 D N 0.441 120.818 120.400 -0.037 0.000 2.295 380 D HA 0.470 5.111 4.640 0.001 0.000 0.248 380 D C -0.388 175.876 176.300 -0.060 0.000 1.154 380 D CA -0.024 53.951 54.000 -0.042 0.000 0.857 380 D CB 2.263 43.043 40.800 -0.034 0.000 1.117 380 D HN 0.289 nan 8.370 nan 0.000 0.468 381 L N 2.189 123.372 121.223 -0.068 0.000 2.307 381 L HA 0.274 4.615 4.340 0.001 0.000 0.284 381 L C -0.611 176.216 176.870 -0.072 0.000 1.023 381 L CA -0.249 54.544 54.840 -0.078 0.000 0.810 381 L CB 1.360 43.341 42.059 -0.129 0.000 1.231 381 L HN 0.212 nan 8.230 nan 0.000 0.423 382 Q N 3.999 123.768 119.800 -0.051 0.000 2.401 382 Q HA 0.480 4.820 4.340 0.001 0.000 0.260 382 Q C -1.270 174.729 176.000 -0.002 0.000 1.034 382 Q CA -0.594 55.196 55.803 -0.021 0.000 0.737 382 Q CB 2.096 30.830 28.738 -0.007 0.000 1.227 382 Q HN 0.493 nan 8.270 nan 0.000 0.488 383 V N 4.499 124.407 119.914 -0.010 0.000 2.546 383 V HA 0.219 4.339 4.120 0.001 0.000 0.284 383 V C 0.829 177.042 176.094 0.199 0.000 1.050 383 V CA 0.008 62.324 62.300 0.027 0.000 0.981 383 V CB 1.025 32.743 31.823 -0.175 0.000 0.990 383 V HN 0.760 nan 8.190 nan 0.000 0.474 384 L N 2.205 123.533 121.223 0.174 0.000 2.378 384 L HA 0.307 4.648 4.340 0.001 0.000 0.195 384 L C 0.411 177.371 176.870 0.149 0.000 1.287 384 L CA -0.128 54.799 54.840 0.145 0.000 1.364 384 L CB -0.127 41.990 42.059 0.097 0.000 1.310 384 L HN 0.555 nan 8.230 nan 0.000 0.732 385 D N 0.529 120.989 120.400 0.101 0.000 2.443 385 D HA 0.092 4.732 4.640 0.001 0.000 0.239 385 D C 0.068 176.392 176.300 0.040 0.000 1.136 385 D CA 0.099 54.128 54.000 0.048 0.000 0.879 385 D CB 0.410 41.239 40.800 0.050 0.000 1.195 385 D HN 0.070 nan 8.370 nan 0.000 0.443 386 R N 1.993 122.416 120.500 -0.130 0.000 2.502 386 R HA 0.045 4.386 4.340 0.001 0.000 0.292 386 R C -0.894 175.300 176.300 -0.177 0.000 0.998 386 R CA -0.386 55.533 56.100 -0.302 0.000 1.056 386 R CB 0.208 30.249 30.300 -0.432 0.000 0.939 386 R HN 0.233 nan 8.270 nan 0.000 0.411 387 V N 6.485 126.331 119.914 -0.112 0.000 2.529 387 V HA 0.071 4.192 4.120 0.001 0.000 0.292 387 V C -0.395 175.396 176.094 -0.505 0.000 1.028 387 V CA 0.615 62.765 62.300 -0.249 0.000 1.074 387 V CB -0.175 31.563 31.823 -0.143 0.000 0.958 387 V HN 0.648 nan 8.190 nan 0.000 0.481 388 Y N 2.237 122.363 120.300 -0.290 0.000 2.513 388 Y HA 0.350 4.901 4.550 0.001 0.000 0.340 388 Y C -0.232 175.494 175.900 -0.289 0.000 1.055 388 Y CA -0.670 57.335 58.100 -0.158 0.000 1.020 388 Y CB 1.980 40.403 38.460 -0.061 0.000 1.301 388 Y HN 0.645 nan 8.280 nan 0.000 0.453 389 W N 0.488 121.924 121.300 0.227 0.000 2.940 389 W HA 0.205 4.866 4.660 0.001 0.000 0.297 389 W C 0.095 176.692 176.519 0.130 0.000 1.149 389 W CA -0.130 57.310 57.345 0.158 0.000 1.564 389 W CB 0.528 30.053 29.460 0.108 0.000 1.010 389 W HN 0.522 nan 8.180 nan 0.000 0.578 390 N N 1.558 120.431 118.700 0.288 0.000 2.815 390 N HA -0.163 4.578 4.740 0.001 0.000 0.249 390 N C -0.163 175.437 175.510 0.150 0.000 1.114 390 N CA 1.636 54.784 53.050 0.164 0.000 0.717 390 N CB -1.774 36.783 38.487 0.117 0.000 1.074 390 N HN 0.466 nan 8.380 nan 0.000 0.555 391 D N -1.942 118.559 120.400 0.169 0.000 2.469 391 D HA 0.329 4.970 4.640 0.001 0.000 0.215 391 D C 1.290 177.631 176.300 0.070 0.000 1.154 391 D CA 0.649 54.715 54.000 0.109 0.000 0.832 391 D CB -0.057 40.808 40.800 0.109 0.000 1.008 391 D HN 0.368 nan 8.370 nan 0.000 0.506 392 G N 0.654 109.505 108.800 0.084 0.000 2.175 392 G HA2 -0.250 3.711 3.960 0.001 0.000 0.244 392 G HA3 -0.250 3.711 3.960 0.001 0.000 0.244 392 G C 0.638 175.596 174.900 0.098 0.000 0.982 392 G CA 0.338 45.474 45.100 0.059 0.000 0.641 392 G HN 0.392 nan 8.290 nan 0.000 0.527 393 L N 0.396 121.706 121.223 0.145 0.000 2.906 393 L HA 0.269 4.610 4.340 0.001 0.000 0.255 393 L C 1.487 178.516 176.870 0.265 0.000 1.166 393 L CA -0.078 54.912 54.840 0.250 0.000 0.977 393 L CB 0.201 42.357 42.059 0.161 0.000 1.313 393 L HN -0.001 nan 8.230 nan 0.000 0.549 394 D N 1.151 121.680 120.400 0.215 0.000 2.265 394 D HA -0.180 4.461 4.640 0.001 0.000 0.208 394 D C 2.030 178.433 176.300 0.171 0.000 0.977 394 D CA 1.027 55.181 54.000 0.257 0.000 0.871 394 D CB 0.223 41.239 40.800 0.360 0.000 0.925 394 D HN 0.502 nan 8.370 nan 0.000 0.485 395 Q N -0.013 119.799 119.800 0.019 0.000 2.230 395 Q HA -0.165 4.176 4.340 0.001 0.000 0.202 395 Q C 1.380 177.266 176.000 -0.191 0.000 0.963 395 Q CA 0.959 56.681 55.803 -0.136 0.000 0.866 395 Q CB -0.871 27.672 28.738 -0.324 0.000 0.931 395 Q HN 0.454 nan 8.270 nan 0.000 0.452 396 Y N 1.145 121.499 120.300 0.090 0.000 2.546 396 Y HA 0.198 4.748 4.550 0.001 0.000 0.287 396 Y C 0.782 176.763 175.900 0.135 0.000 1.158 396 Y CA -0.042 58.115 58.100 0.095 0.000 1.307 396 Y CB 0.334 38.834 38.460 0.067 0.000 1.036 396 Y HN -0.044 nan 8.280 nan 0.000 0.532 397 R N 1.701 122.361 120.500 0.267 0.000 2.870 397 R HA 0.253 4.593 4.340 0.001 0.000 0.254 397 R C -0.906 175.533 176.300 0.232 0.000 1.392 397 R CA -0.105 56.149 56.100 0.257 0.000 1.322 397 R CB -0.175 30.272 30.300 0.245 0.000 1.205 397 R HN 0.148 nan 8.270 nan 0.000 0.597 398 L N 2.180 123.562 121.223 0.265 0.000 2.312 398 L HA 0.256 4.597 4.340 0.001 0.000 0.281 398 L C 1.262 178.308 176.870 0.292 0.000 1.070 398 L CA -0.481 54.483 54.840 0.206 0.000 0.805 398 L CB 1.320 43.462 42.059 0.138 0.000 1.174 398 L HN 0.479 nan 8.230 nan 0.000 0.434 399 T N -0.630 114.014 114.554 0.150 0.000 2.788 399 T HA 0.208 4.559 4.350 0.001 0.000 0.287 399 T C -1.872 172.741 174.700 -0.145 0.000 1.007 399 T CA -1.573 60.560 62.100 0.055 0.000 1.005 399 T CB 1.214 70.083 68.868 0.001 0.000 1.012 399 T HN 0.335 nan 8.240 nan 0.000 0.530 400 P HA -0.065 nan 4.420 nan 0.000 0.216 400 P C 1.590 178.732 177.300 -0.263 0.000 1.150 400 P CA 1.159 63.953 63.100 -0.511 0.000 0.843 400 P CB -0.216 31.047 31.700 -0.727 0.000 0.787 401 T N -0.454 113.976 114.554 -0.207 0.000 2.737 401 T HA -0.127 4.224 4.350 0.001 0.000 0.265 401 T C 1.584 176.206 174.700 -0.128 0.000 1.038 401 T CA 1.289 63.309 62.100 -0.133 0.000 1.144 401 T CB -0.689 68.123 68.868 -0.093 0.000 0.866 401 T HN 0.325 nan 8.240 nan 0.000 0.434 402 E N 0.742 120.873 120.200 -0.114 0.000 2.204 402 E HA -0.036 4.314 4.350 0.001 0.000 0.195 402 E C 2.102 178.580 176.600 -0.204 0.000 0.990 402 E CA 0.691 57.026 56.400 -0.109 0.000 0.821 402 E CB -0.232 29.437 29.700 -0.052 0.000 0.750 402 E HN 0.411 nan 8.360 nan 0.000 0.477 403 L N 0.748 121.798 121.223 -0.288 0.000 2.068 403 L HA -0.134 4.207 4.340 0.001 0.000 0.204 403 L C 2.341 178.667 176.870 -0.907 0.000 1.076 403 L CA 1.063 55.538 54.840 -0.609 0.000 0.753 403 L CB -0.210 41.536 42.059 -0.522 0.000 0.910 403 L HN -0.008 nan 8.230 nan 0.000 0.439 404 K N -0.396 119.732 120.400 -0.454 0.000 2.074 404 K HA -0.289 4.032 4.320 0.001 0.000 0.209 404 K C 2.177 178.713 176.600 -0.108 0.000 1.048 404 K CA 1.656 57.840 56.287 -0.171 0.000 0.926 404 K CB -0.145 32.330 32.500 -0.042 0.000 0.713 404 K HN 0.100 nan 8.250 nan 0.000 0.444 405 Q N 1.566 121.287 119.800 -0.132 0.000 2.119 405 Q HA -0.166 4.174 4.340 0.001 0.000 0.201 405 Q C 1.814 177.771 176.000 -0.070 0.000 0.972 405 Q CA 1.729 57.490 55.803 -0.070 0.000 0.847 405 Q CB -0.068 28.630 28.738 -0.067 0.000 0.903 405 Q HN 0.068 nan 8.270 nan 0.000 0.433 406 K N -0.717 119.581 120.400 -0.170 0.000 2.057 406 K HA -0.094 4.227 4.320 0.001 0.000 0.207 406 K C 1.530 178.146 176.600 0.027 0.000 1.049 406 K CA 1.362 57.577 56.287 -0.120 0.000 0.931 406 K CB -0.382 32.002 32.500 -0.194 0.000 0.714 406 K HN 0.185 nan 8.250 nan 0.000 0.440 407 F N 1.055 121.021 119.950 0.028 0.000 2.325 407 F HA 0.085 4.612 4.527 0.001 0.000 0.299 407 F C 2.085 177.909 175.800 0.041 0.000 1.090 407 F CA 0.790 58.812 58.000 0.037 0.000 1.392 407 F CB -0.518 38.505 39.000 0.039 0.000 1.053 407 F HN 0.047 nan 8.300 nan 0.000 0.521 408 K N 0.366 120.885 120.400 0.198 0.000 2.007 408 K HA -0.141 4.180 4.320 0.001 0.000 0.206 408 K C 1.610 178.263 176.600 0.089 0.000 1.047 408 K CA 1.513 57.873 56.287 0.122 0.000 0.937 408 K CB -0.175 32.372 32.500 0.077 0.000 0.718 408 K HN 0.002 nan 8.250 nan 0.000 0.438 409 D N 0.518 120.958 120.400 0.067 0.000 2.221 409 D HA -0.194 4.446 4.640 0.001 0.000 0.204 409 D C 1.563 177.901 176.300 0.063 0.000 0.982 409 D CA 1.215 55.244 54.000 0.048 0.000 0.857 409 D CB 0.006 40.824 40.800 0.031 0.000 0.934 409 D HN 0.390 nan 8.370 nan 0.000 0.475 410 M N -1.087 118.572 119.600 0.097 0.000 2.383 410 M HA 0.138 4.618 4.480 0.001 0.000 0.247 410 M C -0.321 176.037 176.300 0.097 0.000 1.117 410 M CA 0.190 55.550 55.300 0.099 0.000 0.995 410 M CB 0.477 33.154 32.600 0.128 0.000 1.480 410 M HN -0.260 nan 8.290 nan 0.000 0.485 411 N N 2.068 120.825 118.700 0.095 0.000 2.727 411 N HA -0.142 4.599 4.740 0.001 0.000 0.249 411 N C -0.224 175.351 175.510 0.107 0.000 1.048 411 N CA 0.842 53.946 53.050 0.089 0.000 0.714 411 N CB -0.936 37.588 38.487 0.062 0.000 0.959 411 N HN 0.710 nan 8.380 nan 0.000 0.544 412 A N 0.885 123.781 122.820 0.127 0.000 2.483 412 A HA 0.128 4.449 4.320 0.001 0.000 0.238 412 A C 1.161 178.833 177.584 0.147 0.000 1.070 412 A CA 0.642 52.743 52.037 0.106 0.000 0.770 412 A CB 0.283 19.308 19.000 0.042 0.000 1.008 412 A HN 0.395 nan 8.150 nan 0.000 0.497 413 D N -0.584 119.925 120.400 0.182 0.000 2.479 413 D HA 0.466 5.107 4.640 0.001 0.000 0.218 413 D C -0.160 176.332 176.300 0.320 0.000 1.177 413 D CA 0.637 54.835 54.000 0.330 0.000 0.830 413 D CB 0.146 41.202 40.800 0.427 0.000 1.014 413 D HN 0.830 nan 8.370 nan 0.000 0.503 414 A N -0.231 122.639 122.820 0.083 0.000 2.555 414 A HA 0.562 4.883 4.320 0.001 0.000 0.297 414 A C -1.709 175.796 177.584 -0.131 0.000 1.060 414 A CA -0.707 51.284 52.037 -0.077 0.000 0.710 414 A CB 1.615 20.381 19.000 -0.389 0.000 1.282 414 A HN 0.028 nan 8.150 nan 0.000 0.399 415 V N 2.428 122.250 119.914 -0.153 0.000 2.409 415 V HA 0.668 4.789 4.120 0.001 0.000 0.291 415 V C 0.403 176.454 176.094 -0.071 0.000 1.020 415 V CA -0.118 62.009 62.300 -0.288 0.000 0.848 415 V CB 1.656 33.082 31.823 -0.661 0.000 0.990 415 V HN 1.200 nan 8.190 nan 0.000 0.430 416 S N 4.292 119.955 115.700 -0.062 0.000 2.437 416 S HA 0.845 5.316 4.470 0.001 0.000 0.305 416 S C -0.220 174.383 174.600 0.004 0.000 1.109 416 S CA -0.311 57.906 58.200 0.029 0.000 1.099 416 S CB 1.596 64.787 63.200 -0.016 0.000 1.004 416 S HN 1.179 nan 8.310 nan 0.000 0.475 417 A N 3.470 126.309 122.820 0.032 0.000 2.305 417 A HA 0.753 5.074 4.320 0.001 0.000 0.322 417 A C -1.050 176.501 177.584 -0.055 0.000 1.187 417 A CA -0.655 51.389 52.037 0.012 0.000 0.825 417 A CB 0.424 19.465 19.000 0.068 0.000 1.164 417 A HN 0.941 nan 8.150 nan 0.000 0.498 418 F N 2.369 122.214 119.950 -0.174 0.000 2.366 418 F HA 0.440 4.968 4.527 0.001 0.000 0.366 418 F C 0.322 176.003 175.800 -0.197 0.000 1.096 418 F CA -0.630 57.227 58.000 -0.239 0.000 1.060 418 F CB 1.435 40.320 39.000 -0.193 0.000 1.282 418 F HN 0.713 nan 8.300 nan 0.000 0.450 419 Q N 5.335 124.767 119.800 -0.613 0.000 2.364 419 Q HA 0.574 4.915 4.340 0.001 0.000 0.267 419 Q C -1.771 173.783 176.000 -0.745 0.000 0.999 419 Q CA 0.124 55.594 55.803 -0.555 0.000 0.886 419 Q CB 0.918 29.379 28.738 -0.462 0.000 1.243 419 Q HN 0.553 nan 8.270 nan 0.000 0.415 420 L N 1.064 122.003 121.223 -0.474 0.000 2.775 420 L HA 0.559 4.900 4.340 0.001 0.000 0.263 420 L C -0.327 176.412 176.870 -0.217 0.000 1.017 420 L CA -0.642 53.966 54.840 -0.388 0.000 0.891 420 L CB 0.969 42.831 42.059 -0.328 0.000 1.482 420 L HN 0.893 nan 8.230 nan 0.000 0.410 421 R N -1.011 119.408 120.500 -0.135 0.000 2.539 421 R HA 0.469 4.810 4.340 0.001 0.000 0.342 421 R C -0.617 175.690 176.300 0.012 0.000 0.941 421 R CA -0.374 55.692 56.100 -0.058 0.000 1.146 421 R CB 0.309 30.585 30.300 -0.040 0.000 1.541 421 R HN 0.754 nan 8.270 nan 0.000 0.525 422 N N 0.974 119.681 118.700 0.012 0.000 2.457 422 N HA 0.450 5.191 4.740 0.001 0.000 0.290 422 N C -2.923 172.634 175.510 0.078 0.000 1.232 422 N CA -2.151 50.947 53.050 0.080 0.000 0.852 422 N CB 1.978 40.557 38.487 0.155 0.000 1.313 422 N HN -0.152 nan 8.380 nan 0.000 0.522 423 P HA -0.006 nan 4.420 nan 0.000 0.267 423 P C -0.928 176.403 177.300 0.051 0.000 1.200 423 P CA -0.023 63.160 63.100 0.138 0.000 0.772 423 P CB 0.549 32.368 31.700 0.198 0.000 0.855 424 V N 4.089 123.918 119.914 -0.141 0.000 2.427 424 V HA 0.141 4.262 4.120 0.001 0.000 0.268 424 V C 0.643 176.746 176.094 0.014 0.000 1.046 424 V CA 0.049 62.293 62.300 -0.094 0.000 0.970 424 V CB -0.568 31.067 31.823 -0.314 0.000 1.001 424 V HN 0.697 nan 8.190 nan 0.000 0.476 425 H N 3.510 122.598 119.070 0.030 0.000 2.585 425 H HA 0.495 5.052 4.556 0.001 0.000 0.338 425 H C 0.572 175.674 175.328 -0.377 0.000 1.295 425 H CA -1.141 54.654 56.048 -0.420 0.000 1.356 425 H CB 0.453 29.645 29.762 -0.949 0.000 1.736 425 H HN 0.258 nan 8.280 nan 0.000 0.629 426 N N -0.433 118.155 118.700 -0.186 0.000 2.463 426 N HA 0.028 4.769 4.740 0.001 0.000 0.181 426 N C 1.877 177.333 175.510 -0.090 0.000 1.078 426 N CA 0.857 53.824 53.050 -0.139 0.000 0.902 426 N CB -0.257 38.148 38.487 -0.136 0.000 0.970 426 N HN 0.853 nan 8.380 nan 0.000 0.451 427 G N 0.152 108.985 108.800 0.055 0.000 2.433 427 G HA2 -0.237 3.724 3.960 0.001 0.000 0.216 427 G HA3 -0.237 3.724 3.960 0.001 0.000 0.216 427 G C 1.229 176.046 174.900 -0.138 0.000 1.186 427 G CA 0.737 45.833 45.100 -0.007 0.000 0.779 427 G HN 0.438 nan 8.290 nan 0.000 0.543 428 H N 0.657 119.557 119.070 -0.283 0.000 2.289 428 H HA -0.040 4.516 4.556 0.001 0.000 0.296 428 H C 2.994 177.996 175.328 -0.544 0.000 1.091 428 H CA 0.962 56.781 56.048 -0.382 0.000 1.274 428 H CB 0.020 29.527 29.762 -0.426 0.000 1.364 428 H HN 0.429 nan 8.280 nan 0.000 0.490 429 A N 1.035 123.689 122.820 -0.277 0.000 1.908 429 A HA -0.172 4.149 4.320 0.001 0.000 0.218 429 A C 2.274 179.679 177.584 -0.298 0.000 1.181 429 A CA 1.446 53.296 52.037 -0.312 0.000 0.627 429 A CB -0.695 18.177 19.000 -0.215 0.000 0.818 429 A HN 0.330 nan 8.150 nan 0.000 0.445 430 L N -0.893 120.179 121.223 -0.252 0.000 2.129 430 L HA -0.160 4.181 4.340 0.001 0.000 0.212 430 L C 2.098 178.779 176.870 -0.315 0.000 1.087 430 L CA 1.683 56.374 54.840 -0.249 0.000 0.757 430 L CB -0.598 41.286 42.059 -0.290 0.000 0.896 430 L HN 0.287 nan 8.230 nan 0.000 0.434 431 L N -1.451 119.500 121.223 -0.453 0.000 2.072 431 L HA -0.121 4.219 4.340 0.001 0.000 0.205 431 L C 2.434 178.953 176.870 -0.585 0.000 1.079 431 L CA 1.803 56.161 54.840 -0.804 0.000 0.752 431 L CB -0.639 41.023 42.059 -0.661 0.000 0.906 431 L HN 0.253 nan 8.230 nan 0.000 0.436 432 M N -1.546 117.749 119.600 -0.507 0.000 2.086 432 M HA -0.251 4.229 4.480 0.001 0.000 0.261 432 M C 2.305 178.489 176.300 -0.193 0.000 1.067 432 M CA 1.677 56.755 55.300 -0.370 0.000 1.116 432 M CB -0.470 31.846 32.600 -0.473 0.000 1.348 432 M HN 0.253 nan 8.290 nan 0.000 0.407 433 Q N 0.316 120.000 119.800 -0.192 0.000 2.050 433 Q HA -0.188 4.153 4.340 0.001 0.000 0.202 433 Q C 1.630 177.634 176.000 0.006 0.000 0.980 433 Q CA 1.417 57.164 55.803 -0.094 0.000 0.840 433 Q CB -0.187 28.487 28.738 -0.107 0.000 0.898 433 Q HN 0.429 nan 8.270 nan 0.000 0.424 434 D N -0.326 120.075 120.400 0.003 0.000 2.178 434 D HA -0.097 4.544 4.640 0.001 0.000 0.202 434 D C 1.781 178.183 176.300 0.171 0.000 0.974 434 D CA 1.212 55.288 54.000 0.127 0.000 0.841 434 D CB -0.183 40.775 40.800 0.263 0.000 0.953 434 D HN 0.173 nan 8.370 nan 0.000 0.478 435 T N -0.788 113.852 114.554 0.142 0.000 2.708 435 T HA -0.187 4.164 4.350 0.001 0.000 0.266 435 T C 1.711 176.420 174.700 0.014 0.000 1.037 435 T CA 1.468 63.649 62.100 0.135 0.000 1.146 435 T CB -0.400 68.531 68.868 0.105 0.000 0.865 435 T HN 0.327 nan 8.240 nan 0.000 0.435 436 H N 1.332 120.357 119.070 -0.076 0.000 2.352 436 H HA -0.027 4.529 4.556 0.001 0.000 0.299 436 H C 2.217 177.509 175.328 -0.061 0.000 1.097 436 H CA 1.686 57.680 56.048 -0.090 0.000 1.311 436 H CB 0.012 29.726 29.762 -0.080 0.000 1.377 436 H HN 0.244 nan 8.280 nan 0.000 0.504 437 K N -0.008 120.431 120.400 0.065 0.000 2.044 437 K HA -0.230 4.091 4.320 0.001 0.000 0.210 437 K C 2.444 179.021 176.600 -0.039 0.000 1.049 437 K CA 1.998 58.293 56.287 0.012 0.000 0.927 437 K CB -0.140 32.395 32.500 0.060 0.000 0.713 437 K HN 0.496 nan 8.250 nan 0.000 0.443 438 Q N 0.526 120.309 119.800 -0.029 0.000 2.096 438 Q HA -0.146 4.195 4.340 0.001 0.000 0.204 438 Q C 2.233 178.169 176.000 -0.107 0.000 0.982 438 Q CA 1.329 57.099 55.803 -0.055 0.000 0.850 438 Q CB -0.126 28.585 28.738 -0.045 0.000 0.901 438 Q HN 0.321 nan 8.270 nan 0.000 0.422 439 L N 0.227 121.327 121.223 -0.205 0.000 2.027 439 L HA -0.202 4.138 4.340 0.001 0.000 0.206 439 L C 2.371 179.238 176.870 -0.006 0.000 1.074 439 L CA 0.885 55.606 54.840 -0.198 0.000 0.745 439 L CB -0.529 41.258 42.059 -0.453 0.000 0.898 439 L HN 0.293 nan 8.230 nan 0.000 0.433 440 L N -0.200 120.940 121.223 -0.137 0.000 1.990 440 L HA -0.276 4.065 4.340 0.001 0.000 0.213 440 L C 2.513 179.351 176.870 -0.052 0.000 1.072 440 L CA 1.560 56.339 54.840 -0.102 0.000 0.755 440 L CB -0.527 41.445 42.059 -0.145 0.000 0.889 440 L HN 0.281 nan 8.230 nan 0.000 0.432 441 E N -0.181 119.991 120.200 -0.047 0.000 2.160 441 E HA -0.209 4.142 4.350 0.001 0.000 0.195 441 E C 2.188 178.764 176.600 -0.040 0.000 0.991 441 E CA 1.063 57.442 56.400 -0.036 0.000 0.810 441 E CB 0.065 29.750 29.700 -0.026 0.000 0.742 441 E HN 0.324 nan 8.360 nan 0.000 0.466 442 R N -1.507 118.979 120.500 -0.023 0.000 2.299 442 R HA 0.078 4.419 4.340 0.001 0.000 0.197 442 R C 1.052 177.233 176.300 -0.199 0.000 0.971 442 R CA 0.617 56.685 56.100 -0.053 0.000 1.030 442 R CB 0.609 30.946 30.300 0.062 0.000 0.932 442 R HN 0.275 nan 8.270 nan 0.000 0.477 443 G N -0.911 107.777 108.800 -0.186 0.000 2.260 443 G HA2 -0.222 3.738 3.960 0.001 0.000 0.179 443 G HA3 -0.222 3.738 3.960 0.001 0.000 0.179 443 G C -0.328 174.416 174.900 -0.260 0.000 1.002 443 G CA -0.732 44.220 45.100 -0.246 0.000 0.677 443 G HN 0.167 nan 8.290 nan 0.000 0.486 444 Y N 1.030 121.292 120.300 -0.063 0.000 2.346 444 Y HA 0.617 5.168 4.550 0.001 0.000 0.330 444 Y C 1.820 177.696 175.900 -0.040 0.000 1.178 444 Y CA -0.258 57.819 58.100 -0.039 0.000 1.331 444 Y CB 0.744 39.145 38.460 -0.099 0.000 1.253 444 Y HN -0.030 nan 8.280 nan 0.000 0.529 445 R N 1.178 121.765 120.500 0.144 0.000 2.316 445 R HA 0.217 4.557 4.340 0.001 0.000 0.201 445 R C 0.047 176.390 176.300 0.071 0.000 0.888 445 R CA 0.180 56.325 56.100 0.076 0.000 1.041 445 R CB 0.506 30.851 30.300 0.075 0.000 1.115 445 R HN 0.622 nan 8.270 nan 0.000 0.559 446 R N 1.476 122.038 120.500 0.104 0.000 2.738 446 R HA 0.260 4.600 4.340 0.001 0.000 0.280 446 R C -2.576 173.765 176.300 0.068 0.000 1.456 446 R CA -1.410 54.743 56.100 0.087 0.000 1.612 446 R CB 1.462 31.820 30.300 0.096 0.000 1.286 446 R HN -0.007 nan 8.270 nan 0.000 0.660 447 P HA 0.081 nan 4.420 nan 0.000 0.276 447 P C -0.305 177.019 177.300 0.040 0.000 1.230 447 P CA -0.011 63.064 63.100 -0.041 0.000 0.776 447 P CB 1.579 33.173 31.700 -0.176 0.000 0.888 448 V N 4.429 124.327 119.914 -0.027 0.000 2.680 448 V HA 0.315 4.436 4.120 0.001 0.000 0.309 448 V C 0.029 176.082 176.094 -0.069 0.000 1.052 448 V CA -0.913 61.373 62.300 -0.024 0.000 0.908 448 V CB 2.108 33.894 31.823 -0.062 0.000 1.001 448 V HN 0.389 nan 8.190 nan 0.000 0.431 449 L N 5.407 126.618 121.223 -0.020 0.000 2.264 449 L HA 0.598 4.939 4.340 0.001 0.000 0.289 449 L C -0.696 176.180 176.870 0.010 0.000 1.044 449 L CA -0.173 54.654 54.840 -0.022 0.000 0.807 449 L CB 1.207 43.247 42.059 -0.033 0.000 1.192 449 L HN 0.623 nan 8.230 nan 0.000 0.425 450 L N 6.388 127.614 121.223 0.005 0.000 2.282 450 L HA 0.424 4.764 4.340 0.001 0.000 0.287 450 L C -0.933 175.992 176.870 0.092 0.000 1.075 450 L CA -0.180 54.705 54.840 0.074 0.000 0.839 450 L CB 0.816 42.914 42.059 0.064 0.000 1.219 450 L HN 0.711 nan 8.230 nan 0.000 0.434 451 L N 5.730 127.025 121.223 0.120 0.000 2.278 451 L HA 0.362 4.702 4.340 0.001 0.000 0.287 451 L C -0.900 176.108 176.870 0.230 0.000 1.072 451 L CA 0.295 55.231 54.840 0.159 0.000 0.819 451 L CB 0.218 42.344 42.059 0.111 0.000 1.176 451 L HN 0.629 nan 8.230 nan 0.000 0.435 452 H N 5.938 125.049 119.070 0.069 0.000 2.380 452 H HA 0.455 5.012 4.556 0.001 0.000 0.231 452 H C -2.636 172.677 175.328 -0.025 0.000 1.415 452 H CA -2.431 53.633 56.048 0.027 0.000 1.433 452 H CB 0.360 30.111 29.762 -0.018 0.000 1.544 452 H HN 0.443 nan 8.280 nan 0.000 0.503 453 P HA -0.020 nan 4.420 nan 0.000 0.268 453 P C 0.259 177.481 177.300 -0.131 0.000 1.205 453 P CA -0.252 62.829 63.100 -0.032 0.000 0.771 453 P CB 1.624 33.319 31.700 -0.008 0.000 0.858 454 L N 2.247 123.384 121.223 -0.144 0.000 2.371 454 L HA 0.494 4.835 4.340 0.001 0.000 0.272 454 L C 1.157 177.924 176.870 -0.171 0.000 1.124 454 L CA 0.405 55.164 54.840 -0.134 0.000 0.816 454 L CB 0.555 42.548 42.059 -0.109 0.000 1.129 454 L HN 0.570 nan 8.230 nan 0.000 0.448 455 G N 2.678 111.339 108.800 -0.232 0.000 3.443 455 G HA2 0.253 4.213 3.960 0.001 0.000 0.252 455 G HA3 0.253 4.213 3.960 0.001 0.000 0.252 455 G C 0.308 175.031 174.900 -0.296 0.000 1.015 455 G CA 0.378 45.330 45.100 -0.246 0.000 0.891 455 G HN 0.889 nan 8.290 nan 0.000 0.510 456 G N -0.538 108.084 108.800 -0.297 0.000 2.535 456 G HA2 0.372 4.332 3.960 0.001 0.000 0.282 456 G HA3 0.372 4.332 3.960 0.001 0.000 0.282 456 G C -0.366 174.471 174.900 -0.105 0.000 1.350 456 G CA -1.075 43.863 45.100 -0.271 0.000 1.039 456 G HN 0.223 nan 8.290 nan 0.000 0.509 457 W N 1.342 122.532 121.300 -0.182 0.000 2.391 457 W HA 0.345 5.006 4.660 0.001 0.000 0.339 457 W C 0.675 177.232 176.519 0.063 0.000 1.252 457 W CA 0.789 58.107 57.345 -0.044 0.000 1.304 457 W CB 0.320 29.789 29.460 0.014 0.000 1.179 457 W HN 0.622 nan 8.180 nan 0.000 0.567 458 T N 3.456 117.596 114.554 -0.689 0.000 2.901 458 T HA 0.486 4.836 4.350 0.001 0.000 0.293 458 T C -0.407 173.489 174.700 -1.340 0.000 1.084 458 T CA -1.350 60.341 62.100 -0.682 0.000 1.008 458 T CB 1.701 70.430 68.868 -0.232 0.000 1.170 458 T HN 0.578 nan 8.240 nan 0.000 0.509 459 K N 0.639 120.585 120.400 -0.756 0.000 2.138 459 K HA 0.273 4.594 4.320 0.001 0.000 0.251 459 K C -0.182 176.213 176.600 -0.341 0.000 1.015 459 K CA -0.531 55.379 56.287 -0.628 0.000 0.917 459 K CB 0.382 32.623 32.500 -0.433 0.000 1.021 459 K HN 0.345 nan 8.250 nan 0.000 0.485 460 D N 1.160 121.449 120.400 -0.185 0.000 2.158 460 D HA -0.178 4.462 4.640 0.001 0.000 0.197 460 D C 0.940 177.213 176.300 -0.045 0.000 0.995 460 D CA 1.740 55.691 54.000 -0.082 0.000 0.846 460 D CB -0.160 40.632 40.800 -0.013 0.000 0.941 460 D HN 0.751 nan 8.370 nan 0.000 0.456 461 D N -0.442 119.933 120.400 -0.042 0.000 2.340 461 D HA 0.001 4.642 4.640 0.001 0.000 0.217 461 D C -0.170 176.157 176.300 0.045 0.000 1.081 461 D CA -0.270 53.742 54.000 0.020 0.000 0.842 461 D CB -0.290 40.523 40.800 0.020 0.000 0.934 461 D HN -0.049 nan 8.370 nan 0.000 0.511 462 D N 0.152 120.548 120.400 -0.006 0.000 2.344 462 D HA 0.124 4.764 4.640 0.001 0.000 0.244 462 D C 0.094 176.386 176.300 -0.013 0.000 1.134 462 D CA -0.501 53.508 54.000 0.015 0.000 0.930 462 D CB 1.612 42.409 40.800 -0.006 0.000 1.175 462 D HN -0.187 nan 8.370 nan 0.000 0.437 463 V N 3.602 123.480 119.914 -0.061 0.000 2.485 463 V HA 0.109 4.230 4.120 0.001 0.000 0.287 463 V C -1.897 174.054 176.094 -0.239 0.000 1.022 463 V CA -1.071 61.046 62.300 -0.305 0.000 1.067 463 V CB 0.270 31.900 31.823 -0.322 0.000 0.967 463 V HN 0.495 nan 8.190 nan 0.000 0.479 464 P HA -0.001 nan 4.420 nan 0.000 0.267 464 P C 0.779 178.009 177.300 -0.117 0.000 1.200 464 P CA -0.277 62.762 63.100 -0.102 0.000 0.772 464 P CB 0.541 32.264 31.700 0.039 0.000 0.855 465 L N 3.634 124.771 121.223 -0.144 0.000 2.034 465 L HA -0.246 4.095 4.340 0.001 0.000 0.217 465 L C 2.049 178.787 176.870 -0.219 0.000 1.077 465 L CA 2.313 57.042 54.840 -0.183 0.000 0.769 465 L CB -1.139 40.806 42.059 -0.191 0.000 0.890 465 L HN 0.373 nan 8.230 nan 0.000 0.435 466 M N -1.523 117.943 119.600 -0.224 0.000 2.132 466 M HA -0.192 4.289 4.480 0.001 0.000 0.263 466 M C 1.986 178.071 176.300 -0.358 0.000 1.065 466 M CA 1.834 56.942 55.300 -0.319 0.000 1.122 466 M CB -0.877 31.493 32.600 -0.383 0.000 1.365 466 M HN 0.340 nan 8.290 nan 0.000 0.411 467 W N 0.326 121.480 121.300 -0.243 0.000 2.374 467 W HA -0.086 4.575 4.660 0.001 0.000 0.288 467 W C 2.383 178.739 176.519 -0.271 0.000 1.218 467 W CA 1.133 58.315 57.345 -0.272 0.000 1.245 467 W CB -0.321 28.872 29.460 -0.445 0.000 1.126 467 W HN 0.177 nan 8.180 nan 0.000 0.545 468 R N -0.605 119.838 120.500 -0.096 0.000 2.075 468 R HA -0.130 4.211 4.340 0.001 0.000 0.232 468 R C 2.167 178.149 176.300 -0.529 0.000 1.126 468 R CA 1.301 57.294 56.100 -0.178 0.000 0.963 468 R CB -0.565 29.642 30.300 -0.155 0.000 0.858 468 R HN 0.139 nan 8.270 nan 0.000 0.435 469 M N 0.944 120.228 119.600 -0.528 0.000 2.159 469 M HA -0.127 4.354 4.480 0.001 0.000 0.263 469 M C 1.870 177.984 176.300 -0.310 0.000 1.063 469 M CA 1.656 56.614 55.300 -0.570 0.000 1.110 469 M CB -0.691 31.598 32.600 -0.518 0.000 1.374 469 M HN 0.039 nan 8.290 nan 0.000 0.411 470 K N -0.129 120.152 120.400 -0.197 0.000 2.057 470 K HA -0.180 4.141 4.320 0.001 0.000 0.207 470 K C 2.192 178.800 176.600 0.013 0.000 1.049 470 K CA 1.045 57.287 56.287 -0.076 0.000 0.931 470 K CB -0.214 32.250 32.500 -0.061 0.000 0.714 470 K HN 0.307 nan 8.250 nan 0.000 0.440 471 Q N 0.433 120.268 119.800 0.058 0.000 2.119 471 Q HA -0.174 4.167 4.340 0.001 0.000 0.201 471 Q C 1.655 177.782 176.000 0.212 0.000 0.972 471 Q CA 1.701 57.592 55.803 0.148 0.000 0.847 471 Q CB 0.074 28.920 28.738 0.180 0.000 0.903 471 Q HN 0.492 nan 8.270 nan 0.000 0.433 472 H N -0.325 118.726 119.070 -0.031 0.000 2.403 472 H HA 0.143 4.700 4.556 0.001 0.000 0.298 472 H C 1.911 177.223 175.328 -0.026 0.000 1.059 472 H CA 1.077 57.104 56.048 -0.035 0.000 1.363 472 H CB -0.704 29.021 29.762 -0.062 0.000 1.410 472 H HN 0.340 nan 8.280 nan 0.000 0.528 473 A N 1.301 124.165 122.820 0.073 0.000 1.948 473 A HA -0.193 4.127 4.320 0.001 0.000 0.220 473 A C 2.602 180.220 177.584 0.056 0.000 1.177 473 A CA 2.154 54.222 52.037 0.052 0.000 0.636 473 A CB -1.022 17.997 19.000 0.031 0.000 0.815 473 A HN 0.467 nan 8.150 nan 0.000 0.449 474 A N -0.864 121.994 122.820 0.063 0.000 1.930 474 A HA 0.072 4.393 4.320 0.001 0.000 0.217 474 A C 2.213 179.828 177.584 0.052 0.000 1.175 474 A CA 1.577 53.650 52.037 0.060 0.000 0.627 474 A CB -0.787 18.256 19.000 0.072 0.000 0.815 474 A HN 0.381 nan 8.150 nan 0.000 0.443 475 V N 0.104 120.050 119.914 0.053 0.000 2.343 475 V HA -0.252 3.868 4.120 0.001 0.000 0.247 475 V C 2.556 178.654 176.094 0.006 0.000 1.051 475 V CA 1.973 64.285 62.300 0.020 0.000 1.036 475 V CB -0.660 31.154 31.823 -0.014 0.000 0.654 475 V HN 0.571 nan 8.190 nan 0.000 0.451 476 L N -0.345 120.889 121.223 0.019 0.000 2.072 476 L HA -0.168 4.173 4.340 0.001 0.000 0.205 476 L C 2.600 179.479 176.870 0.015 0.000 1.079 476 L CA 1.792 56.638 54.840 0.011 0.000 0.752 476 L CB -0.612 41.464 42.059 0.028 0.000 0.906 476 L HN 0.417 nan 8.230 nan 0.000 0.436 477 E N 0.395 120.611 120.200 0.027 0.000 2.187 477 E HA -0.262 4.089 4.350 0.001 0.000 0.199 477 E C 1.598 178.210 176.600 0.019 0.000 1.004 477 E CA 1.309 57.725 56.400 0.026 0.000 0.813 477 E CB 0.161 29.880 29.700 0.033 0.000 0.736 477 E HN 0.465 nan 8.360 nan 0.000 0.468 478 E N -1.328 118.882 120.200 0.017 0.000 2.479 478 E HA 0.027 4.378 4.350 0.001 0.000 0.193 478 E C 1.115 177.714 176.600 -0.002 0.000 1.049 478 E CA 0.556 56.964 56.400 0.012 0.000 0.870 478 E CB 0.791 30.502 29.700 0.019 0.000 0.944 478 E HN 0.480 nan 8.360 nan 0.000 0.492 479 G N 1.131 109.924 108.800 -0.011 0.000 2.179 479 G HA2 -0.316 3.645 3.960 0.001 0.000 0.260 479 G HA3 -0.316 3.645 3.960 0.001 0.000 0.260 479 G C 1.194 176.068 174.900 -0.044 0.000 0.977 479 G CA 0.481 45.566 45.100 -0.025 0.000 0.641 479 G HN 0.259 nan 8.290 nan 0.000 0.533 480 V N 0.004 119.891 119.914 -0.045 0.000 2.490 480 V HA 0.131 4.251 4.120 0.001 0.000 0.250 480 V C 1.474 177.507 176.094 -0.102 0.000 1.061 480 V CA 2.140 64.398 62.300 -0.069 0.000 1.064 480 V CB -0.222 31.561 31.823 -0.067 0.000 0.670 480 V HN 0.458 nan 8.190 nan 0.000 0.461 481 L N -0.446 120.720 121.223 -0.095 0.000 2.354 481 L HA 0.497 4.838 4.340 0.001 0.000 0.264 481 L C -0.338 176.480 176.870 -0.087 0.000 1.008 481 L CA -0.657 54.112 54.840 -0.118 0.000 0.819 481 L CB 1.513 43.497 42.059 -0.124 0.000 1.339 481 L HN -0.082 nan 8.230 nan 0.000 0.420 482 N N 2.938 121.573 118.700 -0.107 0.000 2.415 482 N HA 0.210 4.950 4.740 0.001 0.000 0.246 482 N C -1.790 173.696 175.510 -0.039 0.000 1.078 482 N CA -2.072 50.933 53.050 -0.075 0.000 0.942 482 N CB 1.291 39.714 38.487 -0.108 0.000 1.140 482 N HN 0.286 nan 8.380 nan 0.000 0.501 483 P HA -0.142 nan 4.420 nan 0.000 0.218 483 P C 0.377 177.692 177.300 0.024 0.000 1.146 483 P CA 1.307 64.416 63.100 0.015 0.000 0.813 483 P CB 0.485 32.200 31.700 0.024 0.000 0.778 484 E N -0.727 119.482 120.200 0.014 0.000 2.216 484 E HA -0.044 4.307 4.350 0.001 0.000 0.192 484 E C 1.132 177.753 176.600 0.036 0.000 0.988 484 E CA 1.343 57.759 56.400 0.026 0.000 0.834 484 E CB -0.242 29.470 29.700 0.021 0.000 0.772 484 E HN 0.359 nan 8.360 nan 0.000 0.479 485 T N -1.645 112.922 114.554 0.022 0.000 3.214 485 T HA 0.186 4.537 4.350 0.001 0.000 0.264 485 T C 0.170 174.889 174.700 0.032 0.000 1.012 485 T CA -0.436 61.685 62.100 0.036 0.000 0.901 485 T CB 0.553 69.442 68.868 0.036 0.000 1.070 485 T HN -0.235 nan 8.240 nan 0.000 0.561 486 T N 1.612 116.191 114.554 0.042 0.000 2.881 486 T HA 0.581 4.932 4.350 0.001 0.000 0.290 486 T C -0.677 174.083 174.700 0.101 0.000 1.000 486 T CA -0.494 61.637 62.100 0.051 0.000 0.978 486 T CB 2.068 70.946 68.868 0.017 0.000 0.997 486 T HN 0.091 nan 8.240 nan 0.000 0.443 487 V N 3.564 123.565 119.914 0.146 0.000 2.472 487 V HA 0.519 4.640 4.120 0.001 0.000 0.290 487 V C -0.195 176.000 176.094 0.169 0.000 1.037 487 V CA -0.661 61.746 62.300 0.178 0.000 0.908 487 V CB 1.820 33.805 31.823 0.270 0.000 0.985 487 V HN 0.683 nan 8.190 nan 0.000 0.454 488 V N 4.338 124.367 119.914 0.191 0.000 2.357 488 V HA 0.871 4.992 4.120 0.001 0.000 0.284 488 V C 0.218 176.484 176.094 0.286 0.000 1.018 488 V CA -0.147 62.277 62.300 0.206 0.000 0.841 488 V CB 1.270 33.199 31.823 0.177 0.000 0.991 488 V HN 1.056 nan 8.190 nan 0.000 0.437 489 A N 5.583 128.577 122.820 0.289 0.000 2.556 489 A HA 0.885 5.206 4.320 0.001 0.000 0.294 489 A C -1.077 176.747 177.584 0.399 0.000 1.091 489 A CA -0.641 51.620 52.037 0.373 0.000 0.704 489 A CB 1.459 20.658 19.000 0.332 0.000 1.300 489 A HN 0.693 nan 8.150 nan 0.000 0.406 490 I N 1.518 122.264 120.570 0.294 0.000 2.315 490 I HA 0.244 4.414 4.170 0.001 0.000 0.291 490 I C -0.663 175.463 176.117 0.016 0.000 1.006 490 I CA -0.298 61.057 61.300 0.091 0.000 1.265 490 I CB 1.038 39.061 38.000 0.039 0.000 1.387 490 I HN 0.640 nan 8.210 nan 0.000 0.475 491 F N 10.450 130.064 119.950 -0.560 0.000 2.471 491 F HA 0.305 4.832 4.527 0.001 0.000 0.365 491 F C -1.533 173.946 175.800 -0.534 0.000 1.095 491 F CA -2.397 55.110 58.000 -0.822 0.000 1.174 491 F CB 0.666 38.958 39.000 -1.180 0.000 1.105 491 F HN 0.341 nan 8.300 nan 0.000 0.535 492 P HA -0.044 nan 4.420 nan 0.000 0.245 492 P C 0.242 177.044 177.300 -0.830 0.000 1.212 492 P CA 0.252 62.963 63.100 -0.648 0.000 0.774 492 P CB 0.101 31.604 31.700 -0.329 0.000 0.999 493 S N 1.497 116.378 115.700 -1.364 0.000 2.562 493 S HA 0.249 4.719 4.470 0.001 0.000 0.281 493 S C -2.229 172.013 174.600 -0.597 0.000 1.333 493 S CA -1.128 56.513 58.200 -0.932 0.000 1.052 493 S CB -0.287 62.556 63.200 -0.595 0.000 0.884 493 S HN -0.024 nan 8.310 nan 0.000 0.506 494 P HA 0.072 nan 4.420 nan 0.000 0.267 494 P C -0.709 176.622 177.300 0.051 0.000 1.200 494 P CA -0.126 62.874 63.100 -0.166 0.000 0.772 494 P CB 0.359 31.959 31.700 -0.166 0.000 0.855 495 M N 3.513 123.270 119.600 0.263 0.000 2.144 495 M HA 0.308 4.788 4.480 0.001 0.000 0.356 495 M C 0.425 176.913 176.300 0.313 0.000 1.217 495 M CA 0.503 55.898 55.300 0.158 0.000 1.087 495 M CB 0.650 33.181 32.600 -0.114 0.000 1.609 495 M HN 0.284 nan 8.290 nan 0.000 0.467 496 M N 3.081 122.762 119.600 0.135 0.000 2.461 496 M HA 0.211 4.692 4.480 0.001 0.000 0.255 496 M C -0.714 176.054 176.300 0.781 0.000 1.137 496 M CA 0.257 55.701 55.300 0.239 0.000 1.086 496 M CB 0.303 32.816 32.600 -0.145 0.000 1.356 496 M HN 0.707 nan 8.290 nan 0.000 0.487 497 Y N -0.029 120.591 120.300 0.535 0.000 3.027 497 Y HA -0.246 4.305 4.550 0.001 0.000 0.195 497 Y C 0.619 176.966 175.900 0.745 0.000 1.381 497 Y CA 0.255 58.682 58.100 0.545 0.000 1.015 497 Y CB -2.294 36.419 38.460 0.422 0.000 1.329 497 Y HN 0.344 nan 8.280 nan 0.000 0.462 498 A N -0.137 122.933 122.820 0.416 0.000 2.606 498 A HA 0.616 4.937 4.320 0.001 0.000 0.290 498 A C 1.680 179.055 177.584 -0.347 0.000 1.174 498 A CA 0.568 52.681 52.037 0.126 0.000 0.958 498 A CB -0.415 18.265 19.000 -0.535 0.000 1.194 498 A HN 1.642 nan 8.150 nan 0.000 0.526 499 G N 1.340 109.975 108.800 -0.276 0.000 2.672 499 G HA2 -0.346 3.614 3.960 0.001 0.000 0.324 499 G HA3 -0.346 3.614 3.960 0.001 0.000 0.324 499 G C -0.790 173.850 174.900 -0.432 0.000 1.286 499 G CA 0.715 45.478 45.100 -0.562 0.000 1.004 499 G HN 0.324 nan 8.290 nan 0.000 0.548 500 P HA 0.016 nan 4.420 nan 0.000 0.220 500 P C 1.873 179.049 177.300 -0.207 0.000 1.148 500 P CA 2.429 65.401 63.100 -0.213 0.000 0.803 500 P CB -0.336 31.291 31.700 -0.121 0.000 0.782 501 T N -0.179 114.207 114.554 -0.280 0.000 2.737 501 T HA -0.154 4.197 4.350 0.001 0.000 0.265 501 T C 1.794 176.357 174.700 -0.229 0.000 1.038 501 T CA 1.446 63.398 62.100 -0.246 0.000 1.144 501 T CB -0.577 68.109 68.868 -0.304 0.000 0.866 501 T HN 0.299 nan 8.240 nan 0.000 0.434 502 E N 0.421 120.454 120.200 -0.278 0.000 2.208 502 E HA -0.067 4.283 4.350 0.001 0.000 0.193 502 E C 2.144 178.566 176.600 -0.297 0.000 0.988 502 E CA 0.400 56.641 56.400 -0.266 0.000 0.828 502 E CB -0.128 29.387 29.700 -0.308 0.000 0.763 502 E HN 0.209 nan 8.360 nan 0.000 0.478 503 V N 0.872 120.656 119.914 -0.216 0.000 2.594 503 V HA -0.266 3.855 4.120 0.001 0.000 0.253 503 V C 1.940 177.952 176.094 -0.137 0.000 1.069 503 V CA 1.980 64.206 62.300 -0.124 0.000 1.082 503 V CB -0.233 31.582 31.823 -0.014 0.000 0.680 503 V HN 0.368 nan 8.190 nan 0.000 0.469 504 Q N -1.116 118.614 119.800 -0.117 0.000 2.119 504 Q HA -0.219 4.122 4.340 0.001 0.000 0.201 504 Q C 2.053 178.025 176.000 -0.046 0.000 0.972 504 Q CA 2.010 57.750 55.803 -0.106 0.000 0.847 504 Q CB -0.284 28.415 28.738 -0.065 0.000 0.903 504 Q HN 0.916 nan 8.270 nan 0.000 0.433 505 W N 1.175 122.374 121.300 -0.169 0.000 2.409 505 W HA -0.172 4.488 4.660 0.001 0.000 0.299 505 W C 1.277 177.806 176.519 0.015 0.000 1.203 505 W CA 1.410 58.717 57.345 -0.064 0.000 1.298 505 W CB -0.353 29.076 29.460 -0.052 0.000 1.127 505 W HN 0.304 nan 8.180 nan 0.000 0.528 506 H N -0.344 118.534 119.070 -0.320 0.000 2.319 506 H HA -0.280 4.277 4.556 0.001 0.000 0.297 506 H C 2.664 177.647 175.328 -0.575 0.000 1.097 506 H CA 1.955 57.710 56.048 -0.488 0.000 1.285 506 H CB -0.519 29.137 29.762 -0.176 0.000 1.368 506 H HN 0.154 nan 8.280 nan 0.000 0.495 507 C N 1.698 120.650 119.300 -0.580 0.000 2.453 507 C HA -0.108 4.353 4.460 0.001 0.000 0.277 507 C C 2.990 177.706 174.990 -0.456 0.000 1.262 507 C CA 1.234 59.656 59.018 -0.993 0.000 1.718 507 C CB -0.653 26.428 27.740 -1.097 0.000 2.031 507 C HN 0.617 nan 8.230 nan 0.000 0.480 508 R N 2.082 122.403 120.500 -0.299 0.000 2.120 508 R HA 0.091 4.432 4.340 0.001 0.000 0.234 508 R C 2.048 178.274 176.300 -0.124 0.000 1.123 508 R CA 2.164 58.167 56.100 -0.161 0.000 0.975 508 R CB -1.136 29.137 30.300 -0.046 0.000 0.866 508 R HN 0.412 nan 8.270 nan 0.000 0.446 509 A N 0.923 123.573 122.820 -0.282 0.000 1.933 509 A HA -0.084 4.236 4.320 0.001 0.000 0.218 509 A C 2.079 179.758 177.584 0.159 0.000 1.175 509 A CA 1.576 53.544 52.037 -0.114 0.000 0.628 509 A CB -0.336 18.356 19.000 -0.514 0.000 0.814 509 A HN 0.275 nan 8.150 nan 0.000 0.444 510 R N -1.163 119.333 120.500 -0.006 0.000 2.119 510 R HA 0.108 4.448 4.340 0.001 0.000 0.222 510 R C 2.126 178.501 176.300 0.124 0.000 1.088 510 R CA 1.291 57.475 56.100 0.140 0.000 0.984 510 R CB -0.752 29.641 30.300 0.154 0.000 0.884 510 R HN 0.732 nan 8.270 nan 0.000 0.447 511 M N -0.212 119.412 119.600 0.040 0.000 2.117 511 M HA -0.157 4.324 4.480 0.001 0.000 0.262 511 M C 1.407 177.759 176.300 0.086 0.000 1.065 511 M CA 1.623 56.941 55.300 0.029 0.000 1.114 511 M CB 0.043 32.616 32.600 -0.044 0.000 1.361 511 M HN -0.015 nan 8.290 nan 0.000 0.408 512 V N 0.770 120.755 119.914 0.118 0.000 2.626 512 V HA -0.169 3.952 4.120 0.001 0.000 0.252 512 V C 2.411 178.540 176.094 0.059 0.000 1.067 512 V CA 1.691 64.082 62.300 0.150 0.000 1.081 512 V CB -1.019 30.905 31.823 0.168 0.000 0.686 512 V HN 0.653 nan 8.190 nan 0.000 0.468 513 A N -0.764 122.101 122.820 0.075 0.000 2.238 513 A HA 0.402 4.722 4.320 0.001 0.000 0.208 513 A C 1.838 179.530 177.584 0.181 0.000 1.177 513 A CA 1.027 53.096 52.037 0.053 0.000 0.804 513 A CB -0.318 18.778 19.000 0.161 0.000 0.823 513 A HN 1.141 nan 8.150 nan 0.000 0.482 514 G N -2.255 106.646 108.800 0.169 0.000 2.148 514 G HA2 0.170 4.130 3.960 0.001 0.000 0.203 514 G HA3 0.170 4.130 3.960 0.001 0.000 0.203 514 G C 0.359 175.337 174.900 0.129 0.000 0.993 514 G CA 0.062 45.272 45.100 0.183 0.000 0.661 514 G HN 1.487 nan 8.290 nan 0.000 0.518 515 A N -0.254 122.628 122.820 0.103 0.000 2.498 515 A HA 0.617 4.938 4.320 0.001 0.000 0.239 515 A C 0.991 178.541 177.584 -0.057 0.000 1.068 515 A CA 1.116 53.161 52.037 0.015 0.000 0.766 515 A CB 0.152 19.198 19.000 0.077 0.000 1.003 515 A HN 0.508 nan 8.150 nan 0.000 0.497 516 N N -0.456 118.167 118.700 -0.128 0.000 2.368 516 N HA 0.286 5.027 4.740 0.001 0.000 0.178 516 N C -0.986 174.067 175.510 -0.761 0.000 1.076 516 N CA 0.464 53.271 53.050 -0.406 0.000 0.889 516 N CB 0.395 38.631 38.487 -0.418 0.000 1.040 516 N HN 0.576 nan 8.380 nan 0.000 0.463 517 F N -0.526 119.378 119.950 -0.078 0.000 2.591 517 F HA 0.348 4.876 4.527 0.001 0.000 0.309 517 F C -1.280 174.558 175.800 0.063 0.000 1.098 517 F CA -1.175 56.810 58.000 -0.025 0.000 0.937 517 F CB 1.507 40.456 39.000 -0.085 0.000 1.250 517 F HN -0.184 nan 8.300 nan 0.000 0.447 518 Y N 4.086 124.469 120.300 0.139 0.000 2.326 518 Y HA 0.690 5.241 4.550 0.001 0.000 0.329 518 Y C -0.938 175.051 175.900 0.147 0.000 0.973 518 Y CA -0.978 57.178 58.100 0.093 0.000 1.162 518 Y CB 0.879 39.351 38.460 0.020 0.000 1.147 518 Y HN 0.502 nan 8.280 nan 0.000 0.456 519 I N 7.070 127.521 120.570 -0.198 0.000 2.441 519 I HA 0.383 4.553 4.170 0.001 0.000 0.287 519 I C -0.675 175.401 176.117 -0.068 0.000 1.049 519 I CA -0.634 60.711 61.300 0.076 0.000 1.381 519 I CB 1.183 39.325 38.000 0.237 0.000 1.409 519 I HN 0.432 nan 8.210 nan 0.000 0.523 520 V N 5.928 125.972 119.914 0.218 0.000 2.760 520 V HA 0.826 4.946 4.120 0.001 0.000 0.309 520 V C -0.001 176.276 176.094 0.305 0.000 1.077 520 V CA -0.063 62.364 62.300 0.210 0.000 0.910 520 V CB 1.743 33.733 31.823 0.278 0.000 1.008 520 V HN 0.864 nan 8.190 nan 0.000 0.424 521 G N 5.090 114.045 108.800 0.258 0.000 3.039 521 G HA2 0.429 4.389 3.960 0.001 0.000 0.159 521 G HA3 0.429 4.389 3.960 0.001 0.000 0.159 521 G C -0.322 174.715 174.900 0.228 0.000 1.284 521 G CA -0.834 44.441 45.100 0.292 0.000 0.996 521 G HN 0.858 nan 8.290 nan 0.000 0.592 522 R N 0.454 121.091 120.500 0.229 0.000 2.389 522 R HA 0.170 4.511 4.340 0.001 0.000 0.295 522 R C -0.500 175.907 176.300 0.178 0.000 1.075 522 R CA 0.669 56.883 56.100 0.191 0.000 1.005 522 R CB 0.245 30.661 30.300 0.193 0.000 0.987 522 R HN 0.522 nan 8.270 nan 0.000 0.452 523 D N 2.654 123.151 120.400 0.161 0.000 2.689 523 D HA -0.098 4.542 4.640 0.001 0.000 0.237 523 D C -2.185 174.222 176.300 0.178 0.000 1.148 523 D CA 0.366 54.470 54.000 0.172 0.000 0.656 523 D CB -0.108 40.794 40.800 0.170 0.000 1.050 523 D HN 0.514 nan 8.370 nan 0.000 0.426 524 P HA 0.261 nan 4.420 nan 0.000 0.268 524 P C 0.616 178.000 177.300 0.140 0.000 1.204 524 P CA 0.849 64.034 63.100 0.141 0.000 0.768 524 P CB 1.243 33.023 31.700 0.134 0.000 0.842 525 A N 1.676 124.599 122.820 0.172 0.000 2.816 525 A HA -0.128 4.192 4.320 0.001 0.000 0.270 525 A C 0.885 178.644 177.584 0.290 0.000 1.413 525 A CA 1.244 53.393 52.037 0.187 0.000 0.866 525 A CB -2.294 16.746 19.000 0.067 0.000 1.032 525 A HN 0.831 nan 8.150 nan 0.000 0.642 526 G N -1.820 107.182 108.800 0.336 0.000 2.557 526 G HA2 0.895 4.856 3.960 0.001 0.000 0.302 526 G HA3 0.895 4.856 3.960 0.001 0.000 0.302 526 G C -0.275 174.856 174.900 0.386 0.000 1.311 526 G CA -0.277 45.104 45.100 0.469 0.000 1.030 526 G HN 1.848 nan 8.290 nan 0.000 0.509 527 M N -2.474 117.296 119.600 0.283 0.000 2.755 527 M HA 0.446 4.926 4.480 0.001 0.000 0.276 527 M C -3.263 173.068 176.300 0.051 0.000 1.129 527 M CA -1.625 53.757 55.300 0.137 0.000 0.832 527 M CB 1.692 34.307 32.600 0.025 0.000 1.700 527 M HN 0.175 nan 8.290 nan 0.000 0.518 528 P HA 0.094 nan 4.420 nan 0.000 0.268 528 P C -1.087 176.220 177.300 0.012 0.000 1.205 528 P CA 0.180 63.291 63.100 0.019 0.000 0.771 528 P CB 0.253 31.962 31.700 0.014 0.000 0.858 529 H N 5.155 124.180 119.070 -0.075 0.000 3.004 529 H HA 0.012 4.568 4.556 0.001 0.000 0.316 529 H C -1.458 173.837 175.328 -0.055 0.000 1.014 529 H CA -1.075 54.929 56.048 -0.072 0.000 1.454 529 H CB 0.545 30.267 29.762 -0.067 0.000 1.472 529 H HN 0.267 nan 8.280 nan 0.000 0.571 530 P HA -0.126 nan 4.420 nan 0.000 0.218 530 P C 1.122 178.495 177.300 0.121 0.000 1.149 530 P CA 0.893 64.013 63.100 0.034 0.000 0.817 530 P CB 0.561 32.239 31.700 -0.037 0.000 0.785 531 E N -0.730 119.649 120.200 0.299 0.000 2.028 531 E HA -0.092 4.258 4.350 0.001 0.000 0.190 531 E C 1.948 178.582 176.600 0.056 0.000 0.984 531 E CA 2.050 58.558 56.400 0.180 0.000 0.800 531 E CB -1.400 28.429 29.700 0.214 0.000 0.758 531 E HN 0.375 nan 8.360 nan 0.000 0.448 532 T N -3.756 110.794 114.554 -0.007 0.000 3.014 532 T HA 0.308 4.658 4.350 0.001 0.000 0.250 532 T C 1.629 176.308 174.700 -0.035 0.000 1.060 532 T CA 0.732 62.779 62.100 -0.089 0.000 1.040 532 T CB 0.381 69.108 68.868 -0.235 0.000 0.971 532 T HN 0.260 nan 8.240 nan 0.000 0.497 533 G N 1.923 110.732 108.800 0.014 0.000 2.196 533 G HA2 -0.322 3.638 3.960 0.001 0.000 0.268 533 G HA3 -0.322 3.638 3.960 0.001 0.000 0.268 533 G C 0.132 175.031 174.900 -0.001 0.000 0.975 533 G CA 0.738 45.846 45.100 0.012 0.000 0.648 533 G HN 0.669 nan 8.290 nan 0.000 0.538 534 K N 0.624 121.010 120.400 -0.023 0.000 2.138 534 K HA 0.313 4.633 4.320 0.001 0.000 0.251 534 K C 0.045 176.645 176.600 0.000 0.000 1.015 534 K CA -0.652 55.616 56.287 -0.032 0.000 0.917 534 K CB 0.371 32.830 32.500 -0.069 0.000 1.021 534 K HN 0.083 nan 8.250 nan 0.000 0.485 535 D N 1.927 122.323 120.400 -0.008 0.000 2.531 535 D HA -0.100 4.541 4.640 0.001 0.000 0.239 535 D C 1.026 177.314 176.300 -0.019 0.000 1.144 535 D CA 0.202 54.206 54.000 0.007 0.000 0.869 535 D CB 0.718 41.524 40.800 0.010 0.000 1.160 535 D HN 0.292 nan 8.370 nan 0.000 0.484 536 L N 4.208 125.388 121.223 -0.072 0.000 2.079 536 L HA -0.133 4.208 4.340 0.001 0.000 0.210 536 L C -0.008 176.580 176.870 -0.469 0.000 1.081 536 L CA 1.757 56.428 54.840 -0.282 0.000 0.752 536 L CB -0.320 41.417 42.059 -0.537 0.000 0.896 536 L HN 0.389 nan 8.230 nan 0.000 0.433 537 Y N -0.895 119.469 120.300 0.107 0.000 2.509 537 Y HA 0.396 4.947 4.550 0.001 0.000 0.341 537 Y C 0.400 176.280 175.900 -0.033 0.000 1.038 537 Y CA -1.366 56.773 58.100 0.063 0.000 1.089 537 Y CB 0.668 39.190 38.460 0.103 0.000 1.241 537 Y HN -0.186 nan 8.280 nan 0.000 0.468 538 E N 4.480 124.663 120.200 -0.027 0.000 2.366 538 E HA 0.027 4.377 4.350 0.001 0.000 0.266 538 E C -1.841 174.689 176.600 -0.117 0.000 1.015 538 E CA -1.497 54.749 56.400 -0.257 0.000 0.906 538 E CB 1.103 30.283 29.700 -0.866 0.000 0.979 538 E HN 0.359 nan 8.360 nan 0.000 0.443 539 P HA -0.088 nan 4.420 nan 0.000 0.230 539 P C 0.854 178.206 177.300 0.087 0.000 1.158 539 P CA 0.792 63.926 63.100 0.056 0.000 0.769 539 P CB 0.258 31.985 31.700 0.046 0.000 0.807 540 S N -2.741 113.007 115.700 0.080 0.000 2.517 540 S HA 0.017 4.488 4.470 0.001 0.000 0.214 540 S C 1.747 176.483 174.600 0.226 0.000 0.991 540 S CA -0.168 58.118 58.200 0.144 0.000 0.906 540 S CB -1.321 61.963 63.200 0.141 0.000 0.789 540 S HN 0.247 nan 8.310 nan 0.000 0.513 541 H N 1.463 120.579 119.070 0.077 0.000 2.353 541 H HA -0.005 4.551 4.556 0.001 0.000 0.300 541 H C 2.563 177.911 175.328 0.033 0.000 1.090 541 H CA 0.698 56.781 56.048 0.057 0.000 1.327 541 H CB -0.457 29.349 29.762 0.073 0.000 1.383 541 H HN 0.568 nan 8.280 nan 0.000 0.508 542 G N 0.926 109.825 108.800 0.164 0.000 2.599 542 G HA2 -0.382 3.578 3.960 0.001 0.000 0.219 542 G HA3 -0.382 3.578 3.960 0.001 0.000 0.219 542 G C 1.918 176.867 174.900 0.083 0.000 1.193 542 G CA 1.267 46.418 45.100 0.086 0.000 0.778 542 G HN 0.494 nan 8.290 nan 0.000 0.589 543 A N 0.402 123.286 122.820 0.107 0.000 1.902 543 A HA 0.005 4.326 4.320 0.001 0.000 0.217 543 A C 2.346 179.967 177.584 0.060 0.000 1.181 543 A CA 2.129 54.222 52.037 0.094 0.000 0.623 543 A CB -0.360 18.703 19.000 0.105 0.000 0.818 543 A HN 0.411 nan 8.150 nan 0.000 0.443 544 K N -0.607 119.830 120.400 0.062 0.000 2.057 544 K HA -0.025 4.296 4.320 0.001 0.000 0.206 544 K C 1.873 178.470 176.600 -0.005 0.000 1.050 544 K CA 1.310 57.613 56.287 0.027 0.000 0.935 544 K CB -0.289 32.227 32.500 0.026 0.000 0.715 544 K HN 0.272 nan 8.250 nan 0.000 0.439 545 V N 1.386 121.293 119.914 -0.013 0.000 2.307 545 V HA -0.223 3.898 4.120 0.001 0.000 0.245 545 V C 2.137 178.213 176.094 -0.029 0.000 1.045 545 V CA 1.378 63.655 62.300 -0.037 0.000 1.024 545 V CB -0.330 31.465 31.823 -0.048 0.000 0.651 545 V HN 0.242 nan 8.190 nan 0.000 0.449 546 L N 0.914 122.128 121.223 -0.014 0.000 2.046 546 L HA -0.176 4.165 4.340 0.001 0.000 0.208 546 L C 2.819 179.678 176.870 -0.018 0.000 1.077 546 L CA 2.756 57.582 54.840 -0.023 0.000 0.747 546 L CB -0.983 41.075 42.059 -0.002 0.000 0.896 546 L HN 0.630 nan 8.230 nan 0.000 0.432 547 T N -2.468 112.087 114.554 0.000 0.000 2.869 547 T HA -0.276 4.075 4.350 0.001 0.000 0.270 547 T C 1.433 176.123 174.700 -0.017 0.000 1.082 547 T CA 1.760 63.858 62.100 -0.004 0.000 1.123 547 T CB -0.574 68.294 68.868 0.000 0.000 0.856 547 T HN 0.602 nan 8.240 nan 0.000 0.499 548 M N -0.556 119.030 119.600 -0.023 0.000 2.347 548 M HA 0.692 5.173 4.480 0.001 0.000 0.302 548 M C 0.653 176.934 176.300 -0.032 0.000 1.051 548 M CA -0.683 54.601 55.300 -0.027 0.000 0.988 548 M CB 0.419 33.004 32.600 -0.025 0.000 1.475 548 M HN 0.127 nan 8.290 nan 0.000 0.530 549 A N 3.662 126.459 122.820 -0.038 0.000 2.462 549 A HA 0.601 4.922 4.320 0.001 0.000 0.243 549 A C -2.241 175.317 177.584 -0.043 0.000 1.076 549 A CA -1.010 51.002 52.037 -0.042 0.000 0.773 549 A CB -0.439 18.529 19.000 -0.053 0.000 1.010 549 A HN 0.356 nan 8.150 nan 0.000 0.493 550 P HA 0.400 nan 4.420 nan 0.000 0.276 550 P C 0.644 177.914 177.300 -0.050 0.000 1.252 550 P CA 0.923 64.000 63.100 -0.039 0.000 0.802 550 P CB 0.858 32.542 31.700 -0.027 0.000 1.035 551 G N 0.357 109.121 108.800 -0.060 0.000 2.137 551 G HA2 -0.199 3.761 3.960 0.001 0.000 0.237 551 G HA3 -0.199 3.761 3.960 0.001 0.000 0.237 551 G C -0.063 174.771 174.900 -0.109 0.000 1.002 551 G CA 0.035 45.087 45.100 -0.080 0.000 0.702 551 G HN 0.486 nan 8.290 nan 0.000 0.515 552 L N 0.138 121.299 121.223 -0.103 0.000 2.783 552 L HA 0.375 4.715 4.340 0.001 0.000 0.265 552 L C 1.256 178.063 176.870 -0.106 0.000 1.398 552 L CA -0.906 53.862 54.840 -0.119 0.000 0.802 552 L CB 0.403 42.392 42.059 -0.117 0.000 1.126 552 L HN 0.040 nan 8.230 nan 0.000 0.529 553 I N 0.261 120.769 120.570 -0.104 0.000 2.716 553 I HA -0.081 4.089 4.170 0.001 0.000 0.259 553 I C 2.293 178.360 176.117 -0.085 0.000 1.172 553 I CA 1.484 62.735 61.300 -0.081 0.000 1.478 553 I CB -0.325 37.635 38.000 -0.067 0.000 1.104 553 I HN 0.427 nan 8.210 nan 0.000 0.439 554 T N -1.243 113.256 114.554 -0.092 0.000 3.206 554 T HA 0.413 4.764 4.350 0.001 0.000 0.253 554 T C 0.107 174.727 174.700 -0.134 0.000 1.042 554 T CA -0.316 61.732 62.100 -0.086 0.000 0.931 554 T CB -0.584 68.262 68.868 -0.037 0.000 1.029 554 T HN 0.042 nan 8.240 nan 0.000 0.564 555 L N -2.904 118.225 121.223 -0.156 0.000 2.403 555 L HA 0.818 5.159 4.340 0.001 0.000 0.253 555 L C -1.023 175.719 176.870 -0.214 0.000 1.045 555 L CA -1.575 53.129 54.840 -0.227 0.000 0.845 555 L CB 1.488 43.451 42.059 -0.159 0.000 1.447 555 L HN 0.046 nan 8.230 nan 0.000 0.411 556 E N 0.972 120.991 120.200 -0.302 0.000 2.183 556 E HA 0.551 4.901 4.350 0.001 0.000 0.271 556 E C -1.119 175.498 176.600 0.028 0.000 0.919 556 E CA -0.939 55.374 56.400 -0.144 0.000 0.781 556 E CB 1.415 31.012 29.700 -0.170 0.000 1.140 556 E HN 0.608 nan 8.360 nan 0.000 0.402 557 I N 4.219 124.824 120.570 0.059 0.000 2.416 557 I HA 0.118 4.288 4.170 0.001 0.000 0.288 557 I C -0.114 176.077 176.117 0.124 0.000 1.051 557 I CA -0.505 60.872 61.300 0.128 0.000 1.375 557 I CB 0.998 39.048 38.000 0.083 0.000 1.407 557 I HN 0.302 nan 8.210 nan 0.000 0.516 558 V N 8.927 128.939 119.914 0.163 0.000 2.257 558 V HA 0.285 4.406 4.120 0.001 0.000 0.269 558 V C -2.147 173.941 176.094 -0.009 0.000 1.040 558 V CA -1.315 61.022 62.300 0.062 0.000 0.813 558 V CB 1.011 32.931 31.823 0.161 0.000 1.065 558 V HN 0.619 nan 8.190 nan 0.000 0.457 559 P HA 0.602 nan 4.420 nan 0.000 0.287 559 P C -1.216 175.871 177.300 -0.356 0.000 1.270 559 P CA -0.534 62.525 63.100 -0.069 0.000 0.844 559 P CB 1.581 33.260 31.700 -0.035 0.000 1.068 560 F N 0.289 120.277 119.950 0.062 0.000 2.565 560 F HA 0.485 5.013 4.527 0.001 0.000 0.313 560 F C 1.205 177.048 175.800 0.071 0.000 1.091 560 F CA -0.898 57.124 58.000 0.036 0.000 0.915 560 F CB 2.060 41.146 39.000 0.142 0.000 1.208 560 F HN 0.070 nan 8.300 nan 0.000 0.453 561 R N 0.385 121.000 120.500 0.192 0.000 2.707 561 R HA 0.415 4.756 4.340 0.001 0.000 0.270 561 R C -0.706 175.819 176.300 0.375 0.000 1.083 561 R CA -0.635 55.594 56.100 0.216 0.000 1.182 561 R CB 0.836 31.216 30.300 0.133 0.000 1.084 561 R HN 0.493 nan 8.270 nan 0.000 0.528 562 V N 1.600 121.702 119.914 0.314 0.000 2.655 562 V HA 0.342 4.462 4.120 0.001 0.000 0.300 562 V C -0.221 176.065 176.094 0.319 0.000 1.044 562 V CA 0.119 62.604 62.300 0.309 0.000 1.095 562 V CB 0.741 32.714 31.823 0.250 0.000 0.952 562 V HN 0.823 nan 8.190 nan 0.000 0.485 563 A N 5.652 128.613 122.820 0.236 0.000 2.306 563 A HA 1.016 5.336 4.320 0.001 0.000 0.330 563 A C -0.081 177.512 177.584 0.015 0.000 1.146 563 A CA 0.021 52.094 52.037 0.059 0.000 0.827 563 A CB 1.614 20.574 19.000 -0.065 0.000 1.178 563 A HN 2.157 nan 8.150 nan 0.000 0.490 564 A N -0.215 122.571 122.820 -0.057 0.000 2.586 564 A HA 0.532 4.852 4.320 0.001 0.000 0.291 564 A C -1.656 176.005 177.584 0.129 0.000 1.062 564 A CA -0.552 51.400 52.037 -0.141 0.000 0.666 564 A CB 0.251 18.819 19.000 -0.721 0.000 1.281 564 A HN 1.461 nan 8.150 nan 0.000 0.421 565 Y N 2.340 122.618 120.300 -0.037 0.000 2.537 565 Y HA 0.298 4.849 4.550 0.001 0.000 0.339 565 Y C 0.462 176.353 175.900 -0.016 0.000 1.066 565 Y CA -0.318 57.781 58.100 -0.001 0.000 1.357 565 Y CB 0.450 38.868 38.460 -0.071 0.000 1.175 565 Y HN 0.622 nan 8.280 nan 0.000 0.525 566 N N 6.052 124.387 118.700 -0.608 0.000 2.415 566 N HA 0.057 4.797 4.740 0.001 0.000 0.246 566 N C 0.529 175.418 175.510 -1.035 0.000 1.078 566 N CA 0.078 52.647 53.050 -0.802 0.000 0.942 566 N CB 0.789 38.959 38.487 -0.528 0.000 1.140 566 N HN 0.760 nan 8.380 nan 0.000 0.501 567 K N 2.790 122.715 120.400 -0.791 0.000 2.063 567 K HA -0.187 4.134 4.320 0.001 0.000 0.208 567 K C 1.663 178.047 176.600 -0.360 0.000 1.048 567 K CA 1.404 57.395 56.287 -0.492 0.000 0.928 567 K CB 0.174 32.523 32.500 -0.250 0.000 0.713 567 K HN 0.458 nan 8.250 nan 0.000 0.442 568 K N 1.437 121.628 120.400 -0.347 0.000 2.002 568 K HA -0.145 4.176 4.320 0.001 0.000 0.209 568 K C 1.571 178.047 176.600 -0.207 0.000 1.048 568 K CA 1.588 57.733 56.287 -0.237 0.000 0.930 568 K CB 0.137 32.506 32.500 -0.219 0.000 0.714 568 K HN -0.004 nan 8.250 nan 0.000 0.438 569 K N 0.116 120.365 120.400 -0.251 0.000 2.418 569 K HA 0.009 4.330 4.320 0.001 0.000 0.195 569 K C 0.004 176.499 176.600 -0.175 0.000 1.035 569 K CA 0.301 56.479 56.287 -0.182 0.000 1.003 569 K CB 0.329 32.736 32.500 -0.154 0.000 0.793 569 K HN -0.012 nan 8.250 nan 0.000 0.494 570 K N 0.688 120.924 120.400 -0.274 0.000 3.117 570 K HA -0.197 4.123 4.320 0.001 0.000 0.269 570 K C -0.847 175.747 176.600 -0.010 0.000 1.098 570 K CA 0.875 57.083 56.287 -0.132 0.000 0.785 570 K CB -1.303 31.196 32.500 -0.002 0.000 1.242 570 K HN 0.535 nan 8.250 nan 0.000 0.491 571 R N -2.258 118.151 120.500 -0.152 0.000 2.752 571 R HA 0.575 4.916 4.340 0.001 0.000 0.271 571 R C -0.743 175.558 176.300 0.002 0.000 1.026 571 R CA -1.316 54.797 56.100 0.023 0.000 0.901 571 R CB 0.598 30.889 30.300 -0.015 0.000 1.243 571 R HN -0.134 nan 8.270 nan 0.000 0.463 572 M N 1.551 121.202 119.600 0.084 0.000 2.219 572 M HA 0.310 4.790 4.480 0.001 0.000 0.353 572 M C -0.689 175.578 176.300 -0.056 0.000 1.304 572 M CA 0.306 55.636 55.300 0.051 0.000 1.115 572 M CB 0.189 32.794 32.600 0.008 0.000 1.664 572 M HN 0.715 nan 8.290 nan 0.000 0.459 573 D N 1.217 121.595 120.400 -0.036 0.000 2.599 573 D HA 0.359 5.000 4.640 0.001 0.000 0.252 573 D C -1.533 174.679 176.300 -0.146 0.000 1.232 573 D CA -0.383 53.556 54.000 -0.102 0.000 0.819 573 D CB 1.020 41.865 40.800 0.075 0.000 1.401 573 D HN 0.373 nan 8.370 nan 0.000 0.429 574 Y N 1.162 121.521 120.300 0.097 0.000 2.620 574 Y HA 0.130 4.680 4.550 0.001 0.000 0.330 574 Y C 0.366 176.178 175.900 -0.145 0.000 1.186 574 Y CA -0.127 57.994 58.100 0.036 0.000 1.467 574 Y CB 0.237 38.744 38.460 0.079 0.000 1.262 574 Y HN 0.270 nan 8.280 nan 0.000 0.550 575 Y N 3.330 123.404 120.300 -0.377 0.000 2.457 575 Y HA 0.097 4.648 4.550 0.001 0.000 0.341 575 Y C -0.161 175.508 175.900 -0.385 0.000 1.240 575 Y CA -0.209 57.340 58.100 -0.918 0.000 1.437 575 Y CB 0.592 38.777 38.460 -0.459 0.000 1.328 575 Y HN 0.583 nan 8.280 nan 0.000 0.588 576 D N 3.113 122.876 120.400 -1.063 0.000 2.620 576 D HA 0.149 4.789 4.640 0.001 0.000 0.252 576 D C 0.242 176.086 176.300 -0.760 0.000 1.207 576 D CA -0.181 53.463 54.000 -0.594 0.000 0.884 576 D CB 2.251 42.913 40.800 -0.230 0.000 1.262 576 D HN 0.733 nan 8.370 nan 0.000 0.552 577 S N 2.465 117.875 115.700 -0.483 0.000 2.374 577 S HA -0.180 4.291 4.470 0.001 0.000 0.227 577 S C 0.225 174.828 174.600 0.005 0.000 1.037 577 S CA 1.266 59.361 58.200 -0.176 0.000 1.024 577 S CB 0.034 63.233 63.200 -0.001 0.000 0.861 577 S HN 0.475 nan 8.310 nan 0.000 0.456 578 E N 0.262 120.481 120.200 0.032 0.000 2.152 578 E HA 0.394 4.744 4.350 0.001 0.000 0.285 578 E C -0.092 176.782 176.600 0.457 0.000 1.043 578 E CA -0.073 56.452 56.400 0.209 0.000 0.839 578 E CB 0.517 30.327 29.700 0.183 0.000 1.069 578 E HN 0.351 nan 8.360 nan 0.000 0.399 579 H N -0.258 118.853 119.070 0.068 0.000 3.446 579 H HA -0.146 4.410 4.556 0.001 0.000 0.172 579 H C 0.826 176.286 175.328 0.220 0.000 0.887 579 H CA 0.646 56.754 56.048 0.099 0.000 1.198 579 H CB -2.111 27.718 29.762 0.111 0.000 0.981 579 H HN 0.756 nan 8.280 nan 0.000 0.412 580 H N 1.984 121.194 119.070 0.233 0.000 2.337 580 H HA -0.201 4.356 4.556 0.001 0.000 0.288 580 H C 1.478 177.029 175.328 0.372 0.000 1.117 580 H CA 2.788 59.051 56.048 0.359 0.000 1.205 580 H CB 0.328 30.267 29.762 0.295 0.000 1.353 580 H HN 0.630 nan 8.280 nan 0.000 0.480 581 E N -0.393 119.864 120.200 0.094 0.000 2.478 581 E HA 0.025 4.375 4.350 0.001 0.000 0.194 581 E C 1.110 177.658 176.600 -0.087 0.000 1.045 581 E CA 0.797 57.163 56.400 -0.057 0.000 0.868 581 E CB 0.040 29.721 29.700 -0.032 0.000 0.885 581 E HN 0.597 nan 8.360 nan 0.000 0.505 582 D N -0.115 120.208 120.400 -0.127 0.000 2.378 582 D HA -0.026 4.614 4.640 0.001 0.000 0.227 582 D C -0.650 175.288 176.300 -0.603 0.000 1.012 582 D CA 0.560 54.328 54.000 -0.385 0.000 0.905 582 D CB -0.088 40.379 40.800 -0.556 0.000 0.895 582 D HN 0.125 nan 8.370 nan 0.000 0.532 583 F N 0.768 120.691 119.950 -0.045 0.000 2.449 583 F HA 0.297 4.825 4.527 0.001 0.000 0.342 583 F C 0.451 176.180 175.800 -0.120 0.000 1.127 583 F CA -1.167 56.784 58.000 -0.082 0.000 0.975 583 F CB 1.547 40.593 39.000 0.077 0.000 1.146 583 F HN -0.339 nan 8.300 nan 0.000 0.444 584 E N 3.617 123.826 120.200 0.016 0.000 2.151 584 E HA 0.397 4.748 4.350 0.001 0.000 0.275 584 E C -1.522 174.999 176.600 -0.132 0.000 0.936 584 E CA -0.604 55.802 56.400 0.009 0.000 0.777 584 E CB 0.927 30.663 29.700 0.061 0.000 1.108 584 E HN 0.416 nan 8.360 nan 0.000 0.401 585 F N 4.947 124.925 119.950 0.047 0.000 2.361 585 F HA 0.373 4.901 4.527 0.001 0.000 0.364 585 F C 0.033 175.792 175.800 -0.069 0.000 1.120 585 F CA -0.505 57.503 58.000 0.012 0.000 1.102 585 F CB 0.765 39.770 39.000 0.009 0.000 1.183 585 F HN 0.355 nan 8.300 nan 0.000 0.476 586 I N 3.858 124.408 120.570 -0.033 0.000 2.328 586 I HA 0.219 4.390 4.170 0.001 0.000 0.287 586 I C 0.213 176.326 176.117 -0.005 0.000 1.012 586 I CA -0.233 60.956 61.300 -0.184 0.000 1.195 586 I CB 0.875 38.454 38.000 -0.702 0.000 1.350 586 I HN 0.562 nan 8.210 nan 0.000 0.464 587 S N 3.765 119.499 115.700 0.056 0.000 2.686 587 S HA 0.419 4.890 4.470 0.001 0.000 0.270 587 S C 1.345 176.036 174.600 0.150 0.000 1.194 587 S CA -0.183 58.096 58.200 0.131 0.000 0.990 587 S CB 1.314 64.573 63.200 0.099 0.000 1.029 587 S HN 0.694 nan 8.310 nan 0.000 0.560 588 G N 0.103 109.020 108.800 0.195 0.000 2.408 588 G HA2 -0.076 3.885 3.960 0.001 0.000 0.217 588 G HA3 -0.076 3.885 3.960 0.001 0.000 0.217 588 G C 1.202 176.193 174.900 0.153 0.000 1.150 588 G CA 1.054 46.296 45.100 0.235 0.000 0.776 588 G HN 0.713 nan 8.290 nan 0.000 0.542 589 T N 0.782 115.392 114.554 0.094 0.000 2.665 589 T HA -0.177 4.174 4.350 0.001 0.000 0.268 589 T C 2.406 177.099 174.700 -0.011 0.000 1.035 589 T CA 1.692 63.812 62.100 0.033 0.000 1.151 589 T CB -0.115 68.769 68.868 0.026 0.000 0.862 589 T HN 0.360 nan 8.240 nan 0.000 0.438 590 R N 0.853 121.350 120.500 -0.006 0.000 2.115 590 R HA 0.187 4.527 4.340 0.001 0.000 0.226 590 R C 2.309 178.575 176.300 -0.058 0.000 1.100 590 R CA 1.260 57.330 56.100 -0.050 0.000 0.980 590 R CB -0.577 29.681 30.300 -0.070 0.000 0.875 590 R HN 0.388 nan 8.270 nan 0.000 0.445 591 M N -0.113 119.499 119.600 0.020 0.000 2.080 591 M HA -0.169 4.311 4.480 0.001 0.000 0.260 591 M C 2.462 178.736 176.300 -0.044 0.000 1.068 591 M CA 2.167 57.566 55.300 0.165 0.000 1.109 591 M CB -0.344 32.526 32.600 0.451 0.000 1.342 591 M HN 0.171 nan 8.290 nan 0.000 0.405 592 R N 0.782 121.075 120.500 -0.344 0.000 2.091 592 R HA -0.158 4.182 4.340 0.001 0.000 0.238 592 R C 2.048 178.106 176.300 -0.403 0.000 1.136 592 R CA 1.595 57.229 56.100 -0.778 0.000 0.959 592 R CB -0.043 29.964 30.300 -0.489 0.000 0.856 592 R HN 0.303 nan 8.270 nan 0.000 0.437 593 K N 0.329 120.607 120.400 -0.203 0.000 2.026 593 K HA -0.156 4.165 4.320 0.001 0.000 0.208 593 K C 2.224 178.763 176.600 -0.101 0.000 1.048 593 K CA 1.485 57.693 56.287 -0.131 0.000 0.929 593 K CB -0.228 32.218 32.500 -0.089 0.000 0.713 593 K HN 0.242 nan 8.250 nan 0.000 0.439 594 L N 0.746 121.925 121.223 -0.073 0.000 1.994 594 L HA -0.196 4.145 4.340 0.001 0.000 0.208 594 L C 2.686 179.597 176.870 0.069 0.000 1.071 594 L CA 1.195 56.020 54.840 -0.026 0.000 0.745 594 L CB -0.690 41.329 42.059 -0.066 0.000 0.892 594 L HN 0.194 nan 8.230 nan 0.000 0.431 595 A N 0.189 123.102 122.820 0.156 0.000 1.884 595 A HA -0.328 3.993 4.320 0.001 0.000 0.219 595 A C 2.329 179.918 177.584 0.009 0.000 1.197 595 A CA 2.329 54.449 52.037 0.139 0.000 0.637 595 A CB -0.708 18.267 19.000 -0.043 0.000 0.827 595 A HN 0.315 nan 8.150 nan 0.000 0.450 596 R N 0.072 120.523 120.500 -0.081 0.000 2.139 596 R HA -0.163 4.177 4.340 0.001 0.000 0.243 596 R C 1.646 177.925 176.300 -0.036 0.000 1.145 596 R CA 1.666 57.723 56.100 -0.071 0.000 0.976 596 R CB -0.178 30.066 30.300 -0.094 0.000 0.866 596 R HN 0.895 nan 8.270 nan 0.000 0.449 597 E N -1.216 118.971 120.200 -0.023 0.000 2.499 597 E HA 0.138 4.488 4.350 0.001 0.000 0.199 597 E C 0.509 177.112 176.600 0.005 0.000 1.016 597 E CA 0.375 56.766 56.400 -0.015 0.000 0.933 597 E CB 0.711 30.395 29.700 -0.027 0.000 1.050 597 E HN 0.257 nan 8.360 nan 0.000 0.462 598 G N 1.696 110.513 108.800 0.029 0.000 2.187 598 G HA2 -0.341 3.620 3.960 0.001 0.000 0.261 598 G HA3 -0.341 3.620 3.960 0.001 0.000 0.261 598 G C -0.039 174.904 174.900 0.071 0.000 1.000 598 G CA 0.750 45.885 45.100 0.058 0.000 0.718 598 G HN 0.441 nan 8.290 nan 0.000 0.519 599 Q N -0.436 119.397 119.800 0.056 0.000 2.212 599 Q HA 0.610 4.950 4.340 0.001 0.000 0.238 599 Q C 0.303 176.319 176.000 0.027 0.000 0.955 599 Q CA -0.516 55.293 55.803 0.011 0.000 0.906 599 Q CB 1.298 30.001 28.738 -0.059 0.000 1.215 599 Q HN 0.333 nan 8.270 nan 0.000 0.478 600 K N 1.051 121.365 120.400 -0.143 0.000 2.106 600 K HA 0.494 4.814 4.320 0.001 0.000 0.246 600 K C -2.374 173.841 176.600 -0.642 0.000 0.987 600 K CA -1.847 54.138 56.287 -0.505 0.000 0.904 600 K CB 0.549 32.836 32.500 -0.357 0.000 1.071 600 K HN 0.354 nan 8.250 nan 0.000 0.453 601 P HA 0.213 nan 4.420 nan 0.000 0.274 601 P C -2.503 174.457 177.300 -0.567 0.000 1.256 601 P CA -1.269 61.373 63.100 -0.765 0.000 0.795 601 P CB -0.336 30.853 31.700 -0.851 0.000 1.038 602 P HA 0.007 nan 4.420 nan 0.000 0.270 602 P C -0.313 176.762 177.300 -0.376 0.000 1.221 602 P CA 0.030 62.834 63.100 -0.493 0.000 0.788 602 P CB 0.174 31.332 31.700 -0.905 0.000 0.904 603 E N 0.575 120.674 120.200 -0.170 0.000 2.289 603 E HA 0.351 4.701 4.350 0.001 0.000 0.278 603 E C 0.694 177.311 176.600 0.029 0.000 1.032 603 E CA -0.019 56.346 56.400 -0.059 0.000 0.854 603 E CB -0.444 29.249 29.700 -0.011 0.000 1.046 603 E HN 0.700 nan 8.360 nan 0.000 0.409 604 G N 3.790 112.611 108.800 0.035 0.000 2.195 604 G HA2 -0.337 3.623 3.960 0.001 0.000 0.224 604 G HA3 -0.337 3.623 3.960 0.001 0.000 0.224 604 G C 0.283 175.243 174.900 0.099 0.000 0.990 604 G CA 0.183 45.342 45.100 0.099 0.000 0.639 604 G HN 0.641 nan 8.290 nan 0.000 0.514 605 F N 0.800 120.650 119.950 -0.166 0.000 2.149 605 F HA 0.639 5.167 4.527 0.001 0.000 0.294 605 F C 1.075 176.818 175.800 -0.095 0.000 1.095 605 F CA 1.638 59.505 58.000 -0.222 0.000 1.276 605 F CB 0.159 38.881 39.000 -0.464 0.000 1.023 605 F HN 0.211 nan 8.300 nan 0.000 0.480 606 M N 0.333 119.884 119.600 -0.082 0.000 2.433 606 M HA 0.564 5.044 4.480 0.001 0.000 0.290 606 M C -0.935 175.386 176.300 0.035 0.000 1.173 606 M CA -0.930 54.310 55.300 -0.100 0.000 0.905 606 M CB 1.907 34.560 32.600 0.088 0.000 1.692 606 M HN 0.012 nan 8.290 nan 0.000 0.462 607 A N 5.786 128.624 122.820 0.029 0.000 2.566 607 A HA 0.259 4.579 4.320 0.001 0.000 0.245 607 A C -2.239 175.424 177.584 0.132 0.000 1.056 607 A CA -0.742 51.330 52.037 0.059 0.000 0.757 607 A CB -0.732 18.291 19.000 0.040 0.000 0.979 607 A HN 0.742 nan 8.150 nan 0.000 0.508 608 P HA -0.226 nan 4.420 nan 0.000 0.215 608 P C 1.300 178.713 177.300 0.189 0.000 1.163 608 P CA 1.860 65.062 63.100 0.171 0.000 0.894 608 P CB 0.083 31.847 31.700 0.108 0.000 0.791 609 K N -0.890 119.585 120.400 0.125 0.000 2.103 609 K HA -0.120 4.200 4.320 0.001 0.000 0.207 609 K C 2.101 178.769 176.600 0.114 0.000 1.048 609 K CA 1.581 57.931 56.287 0.105 0.000 0.930 609 K CB -0.641 31.904 32.500 0.074 0.000 0.716 609 K HN 0.089 nan 8.250 nan 0.000 0.444 610 A N 1.527 124.427 122.820 0.133 0.000 1.898 610 A HA -0.182 4.139 4.320 0.001 0.000 0.216 610 A C 1.908 179.594 177.584 0.170 0.000 1.181 610 A CA 0.942 53.062 52.037 0.138 0.000 0.620 610 A CB -0.960 18.119 19.000 0.131 0.000 0.819 610 A HN 0.611 nan 8.150 nan 0.000 0.442 611 W N 1.327 122.679 121.300 0.088 0.000 2.321 611 W HA -0.202 4.459 4.660 0.001 0.000 0.306 611 W C 1.658 178.238 176.519 0.102 0.000 1.217 611 W CA 2.304 59.717 57.345 0.113 0.000 1.257 611 W CB -0.573 28.954 29.460 0.111 0.000 1.145 611 W HN 0.373 nan 8.180 nan 0.000 0.509 612 T N 1.077 115.614 114.554 -0.028 0.000 2.788 612 T HA -0.184 4.167 4.350 0.001 0.000 0.268 612 T C 1.840 176.458 174.700 -0.135 0.000 1.044 612 T CA 1.709 63.748 62.100 -0.102 0.000 1.139 612 T CB -0.680 68.213 68.868 0.042 0.000 0.867 612 T HN -0.008 nan 8.240 nan 0.000 0.454 613 V N 1.554 121.435 119.914 -0.055 0.000 2.343 613 V HA -0.129 3.992 4.120 0.001 0.000 0.247 613 V C 2.461 178.468 176.094 -0.145 0.000 1.051 613 V CA 1.479 63.787 62.300 0.014 0.000 1.036 613 V CB -0.635 31.250 31.823 0.104 0.000 0.654 613 V HN 0.463 nan 8.190 nan 0.000 0.451 614 L N 0.452 121.490 121.223 -0.309 0.000 2.131 614 L HA -0.162 4.179 4.340 0.001 0.000 0.210 614 L C 2.803 179.266 176.870 -0.679 0.000 1.092 614 L CA 1.979 56.490 54.840 -0.548 0.000 0.759 614 L CB -1.108 40.646 42.059 -0.509 0.000 0.903 614 L HN 0.606 nan 8.230 nan 0.000 0.435 615 T N -3.247 110.934 114.554 -0.622 0.000 2.788 615 T HA -0.199 4.152 4.350 0.001 0.000 0.268 615 T C 1.574 176.105 174.700 -0.281 0.000 1.044 615 T CA 1.247 63.132 62.100 -0.358 0.000 1.139 615 T CB -0.275 68.419 68.868 -0.291 0.000 0.867 615 T HN 0.377 nan 8.240 nan 0.000 0.454 616 E N 0.145 120.178 120.200 -0.279 0.000 2.077 616 E HA -0.085 4.265 4.350 0.001 0.000 0.193 616 E C 1.829 178.073 176.600 -0.592 0.000 0.989 616 E CA 1.254 57.514 56.400 -0.235 0.000 0.800 616 E CB -0.352 29.366 29.700 0.031 0.000 0.746 616 E HN 0.765 nan 8.360 nan 0.000 0.452 617 Y N 0.312 119.902 120.300 -1.183 0.000 2.070 617 Y HA -0.349 4.202 4.550 0.001 0.000 0.280 617 Y C 1.966 177.324 175.900 -0.903 0.000 1.148 617 Y CA 1.736 58.799 58.100 -1.728 0.000 1.125 617 Y CB -0.364 37.096 38.460 -1.668 0.000 0.975 617 Y HN 0.043 nan 8.280 nan 0.000 0.492 618 Y N 0.731 120.508 120.300 -0.871 0.000 2.207 618 Y HA -0.308 4.243 4.550 0.001 0.000 0.287 618 Y C 2.701 178.315 175.900 -0.477 0.000 1.156 618 Y CA 1.559 59.225 58.100 -0.723 0.000 1.182 618 Y CB -0.340 37.863 38.460 -0.429 0.000 0.979 618 Y HN 0.146 nan 8.280 nan 0.000 0.521 619 K N 0.696 120.962 120.400 -0.225 0.000 2.032 619 K HA -0.238 4.083 4.320 0.001 0.000 0.209 619 K C 2.356 178.861 176.600 -0.159 0.000 1.048 619 K CA 1.892 58.087 56.287 -0.153 0.000 0.927 619 K CB -0.309 32.123 32.500 -0.113 0.000 0.712 619 K HN 0.346 nan 8.250 nan 0.000 0.441 620 S N 0.661 116.232 115.700 -0.216 0.000 2.423 620 S HA -0.116 4.355 4.470 0.001 0.000 0.231 620 S C 2.059 176.575 174.600 -0.139 0.000 1.014 620 S CA 0.814 58.950 58.200 -0.106 0.000 0.965 620 S CB -0.452 62.759 63.200 0.017 0.000 0.785 620 S HN 0.325 nan 8.310 nan 0.000 0.495 621 L N 0.898 121.947 121.223 -0.290 0.000 1.976 621 L HA -0.084 4.256 4.340 0.001 0.000 0.209 621 L C 3.101 179.893 176.870 -0.131 0.000 1.071 621 L CA 2.021 56.722 54.840 -0.231 0.000 0.746 621 L CB -0.729 41.125 42.059 -0.342 0.000 0.890 621 L HN 0.352 nan 8.230 nan 0.000 0.432 622 E N 0.721 120.843 120.200 -0.131 0.000 2.097 622 E HA -0.246 4.104 4.350 0.001 0.000 0.196 622 E C 2.042 178.610 176.600 -0.053 0.000 1.000 622 E CA 1.589 57.940 56.400 -0.083 0.000 0.804 622 E CB -0.012 29.641 29.700 -0.078 0.000 0.740 622 E HN 0.218 nan 8.360 nan 0.000 0.454 623 K N 0.496 120.869 120.400 -0.046 0.000 2.000 623 K HA -0.160 4.161 4.320 0.001 0.000 0.218 623 K C 1.345 177.936 176.600 -0.015 0.000 1.053 623 K CA 0.907 57.181 56.287 -0.022 0.000 0.946 623 K CB -0.760 31.734 32.500 -0.009 0.000 0.723 623 K HN 0.262 nan 8.250 nan 0.000 0.446 624 A N 0.000 122.812 122.820 -0.013 0.000 2.254 624 A HA 0.000 4.321 4.320 0.001 0.000 0.244 624 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 624 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 624 A HN 0.000 nan 8.150 nan 0.000 0.486