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 1x6v_1_B DATA FIRST_RESID 34 DATA SEQUENCE HVSRNKRGQV VGTRGGFRGC TVWLTGLSGA GKTTVSMALE EYLVCHGIPC DATA SEQUENCE YTLDGDNIRQ GLNKNLGFSP EDREENVRRI AEVAKLFADA GLVCITSFIS DATA SEQUENCE PYTQDRNNAR QIHEGASLPF FEVFVDAPLH VCEQRDVKGL YKKARAGXXX DATA SEQUENCE XFTGIDSEYE 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 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 0.000 175.314 175.328 -0.023 0.000 0.993 34 H CA 0.000 56.034 56.048 -0.023 0.000 1.023 34 H CB 0.000 29.746 29.762 -0.026 0.000 1.292 35 V N 2.285 122.277 119.914 0.130 0.000 2.788 35 V HA 0.009 4.105 4.120 -0.040 0.000 0.307 35 V C 1.192 177.309 176.094 0.039 0.000 1.069 35 V CA 0.362 62.699 62.300 0.061 0.000 1.173 35 V CB 0.751 32.606 31.823 0.053 0.000 0.925 35 V HN 0.818 nan 8.190 nan 0.000 0.492 36 S N 5.556 121.259 115.700 0.005 0.000 2.589 36 S HA 0.201 4.647 4.470 -0.040 0.000 0.265 36 S C 1.100 175.656 174.600 -0.073 0.000 1.342 36 S CA -0.279 57.898 58.200 -0.040 0.000 1.005 36 S CB 0.580 63.752 63.200 -0.047 0.000 0.909 36 S HN 0.625 nan 8.310 nan 0.000 0.555 37 R N 1.464 121.848 120.500 -0.193 0.000 2.083 37 R HA -0.161 4.155 4.340 -0.040 0.000 0.237 37 R C 2.528 178.722 176.300 -0.175 0.000 1.137 37 R CA 1.684 57.554 56.100 -0.384 0.000 0.951 37 R CB -0.813 28.879 30.300 -1.013 0.000 0.851 37 R HN 0.901 nan 8.270 nan 0.000 0.434 38 N N 1.530 120.153 118.700 -0.129 0.000 2.091 38 N HA -0.242 4.474 4.740 -0.040 0.000 0.193 38 N C 1.244 176.788 175.510 0.056 0.000 1.021 38 N CA 1.809 54.863 53.050 0.007 0.000 0.862 38 N CB -0.005 38.477 38.487 -0.007 0.000 1.018 38 N HN 0.271 nan 8.380 nan 0.000 0.429 39 K N 0.118 120.537 120.400 0.032 0.000 2.076 39 K HA 0.062 4.358 4.320 -0.040 0.000 0.204 39 K C 2.443 179.083 176.600 0.067 0.000 1.051 39 K CA 0.565 56.878 56.287 0.044 0.000 0.949 39 K CB -0.017 32.498 32.500 0.026 0.000 0.726 39 K HN 0.199 nan 8.250 nan 0.000 0.443 40 R N 0.302 120.850 120.500 0.080 0.000 2.120 40 R HA -0.080 4.236 4.340 -0.040 0.000 0.234 40 R C 2.411 178.798 176.300 0.145 0.000 1.123 40 R CA 1.264 57.425 56.100 0.101 0.000 0.975 40 R CB -0.390 29.971 30.300 0.102 0.000 0.866 40 R HN 0.300 nan 8.270 nan 0.000 0.446 41 G N 0.513 109.448 108.800 0.226 0.000 2.418 41 G HA2 -0.294 3.642 3.960 -0.040 0.000 0.217 41 G HA3 -0.294 3.642 3.960 -0.040 0.000 0.217 41 G C 1.338 176.315 174.900 0.129 0.000 1.158 41 G CA 0.280 45.527 45.100 0.245 0.000 0.771 41 G HN 0.203 nan 8.290 nan 0.000 0.545 42 Q N -0.016 119.847 119.800 0.104 0.000 2.297 42 Q HA -0.061 4.254 4.340 -0.040 0.000 0.208 42 Q C 2.571 178.602 176.000 0.051 0.000 0.981 42 Q CA 1.414 57.257 55.803 0.067 0.000 0.876 42 Q CB -0.123 28.647 28.738 0.053 0.000 0.921 42 Q HN 0.551 nan 8.270 nan 0.000 0.446 43 V N -4.459 115.487 119.914 0.053 0.000 3.643 43 V HA 0.305 4.401 4.120 -0.040 0.000 0.280 43 V C 0.553 176.669 176.094 0.037 0.000 1.351 43 V CA -0.317 62.006 62.300 0.038 0.000 1.073 43 V CB 0.545 32.388 31.823 0.034 0.000 0.863 43 V HN -0.131 nan 8.190 nan 0.000 0.436 44 V N 3.760 123.701 119.914 0.046 0.000 2.387 44 V HA 0.698 4.794 4.120 -0.040 0.000 0.260 44 V C 1.200 177.310 176.094 0.026 0.000 1.054 44 V CA 0.889 63.211 62.300 0.037 0.000 0.967 44 V CB -0.753 31.093 31.823 0.038 0.000 1.036 44 V HN 1.059 nan 8.190 nan 0.000 0.481 45 G N 5.153 113.966 108.800 0.022 0.000 2.782 45 G HA2 -0.212 3.724 3.960 -0.040 0.000 0.228 45 G HA3 -0.212 3.724 3.960 -0.040 0.000 0.228 45 G C 0.553 175.460 174.900 0.012 0.000 1.372 45 G CA 0.062 45.172 45.100 0.015 0.000 0.862 45 G HN 1.069 nan 8.290 nan 0.000 0.547 46 T N -2.093 112.465 114.554 0.006 0.000 3.015 46 T HA 0.291 4.617 4.350 -0.040 0.000 0.250 46 T C 1.179 175.882 174.700 0.004 0.000 1.057 46 T CA 0.821 62.922 62.100 0.002 0.000 1.066 46 T CB 0.217 69.081 68.868 -0.007 0.000 0.959 46 T HN 0.711 nan 8.240 nan 0.000 0.488 47 R N 1.488 121.993 120.500 0.008 0.000 2.539 47 R HA 0.559 4.875 4.340 -0.040 0.000 0.275 47 R C 0.762 177.074 176.300 0.020 0.000 1.077 47 R CA -0.375 55.731 56.100 0.011 0.000 1.097 47 R CB 0.516 30.824 30.300 0.014 0.000 1.018 47 R HN 0.368 nan 8.270 nan 0.000 0.483 48 G N 0.165 108.979 108.800 0.022 0.000 2.503 48 G HA2 0.461 4.397 3.960 -0.040 0.000 0.257 48 G HA3 0.461 4.397 3.960 -0.040 0.000 0.257 48 G C -0.080 174.849 174.900 0.048 0.000 1.214 48 G CA 0.232 45.352 45.100 0.034 0.000 0.839 48 G HN 0.782 nan 8.290 nan 0.000 0.559 49 G N -0.476 108.367 108.800 0.072 0.000 2.697 49 G HA2 0.181 4.117 3.960 -0.040 0.000 0.686 49 G HA3 0.181 4.117 3.960 -0.040 0.000 0.686 49 G C -0.554 174.428 174.900 0.138 0.000 1.179 49 G CA -0.511 44.652 45.100 0.106 0.000 0.765 49 G HN 1.142 nan 8.290 nan 0.000 0.649 50 F N 2.707 122.683 119.950 0.044 0.000 2.467 50 F HA 0.603 5.106 4.527 -0.040 0.000 0.362 50 F C 1.696 177.536 175.800 0.067 0.000 1.090 50 F CA 0.088 58.120 58.000 0.052 0.000 1.202 50 F CB 0.648 39.677 39.000 0.047 0.000 1.113 50 F HN 0.579 nan 8.300 nan 0.000 0.541 51 R N 3.937 124.129 120.500 -0.513 0.000 2.615 51 R HA 0.330 4.646 4.340 -0.040 0.000 0.448 51 R C 0.167 176.216 176.300 -0.419 0.000 1.009 51 R CA -0.379 55.542 56.100 -0.298 0.000 1.111 51 R CB -0.175 30.067 30.300 -0.096 0.000 1.461 51 R HN 0.728 nan 8.270 nan 0.000 0.587 52 G N 1.323 109.513 108.800 -1.015 0.000 2.353 52 G HA2 0.314 4.250 3.960 -0.040 0.000 0.239 52 G HA3 0.314 4.250 3.960 -0.040 0.000 0.239 52 G C 0.210 175.095 174.900 -0.025 0.000 1.295 52 G CA 0.499 45.314 45.100 -0.476 0.000 0.884 52 G HN 0.659 nan 8.290 nan 0.000 0.537 53 C N -0.863 118.507 119.300 0.118 0.000 3.216 53 C HA 0.800 5.235 4.460 -0.040 0.000 0.346 53 C C -0.367 174.772 174.990 0.248 0.000 1.384 53 C CA -0.962 58.187 59.018 0.218 0.000 1.208 53 C CB 1.262 29.169 27.740 0.279 0.000 1.483 53 C HN 0.821 nan 8.230 nan 0.000 0.453 54 T N 1.294 115.978 114.554 0.217 0.000 2.841 54 T HA 0.631 4.957 4.350 -0.040 0.000 0.285 54 T C -0.795 173.924 174.700 0.031 0.000 0.991 54 T CA -0.288 61.896 62.100 0.140 0.000 0.966 54 T CB 1.516 70.469 68.868 0.141 0.000 0.962 54 T HN 0.830 nan 8.240 nan 0.000 0.438 55 V N 4.500 124.453 119.914 0.066 0.000 2.311 55 V HA 0.320 4.416 4.120 -0.040 0.000 0.275 55 V C -0.621 175.454 176.094 -0.032 0.000 1.022 55 V CA -0.946 61.384 62.300 0.050 0.000 0.830 55 V CB 0.919 32.764 31.823 0.036 0.000 1.012 55 V HN 0.813 nan 8.190 nan 0.000 0.452 56 W N 7.708 128.827 121.300 -0.301 0.000 2.295 56 W HA 0.490 5.126 4.660 -0.040 0.000 0.333 56 W C -0.972 175.502 176.519 -0.076 0.000 0.990 56 W CA -0.903 56.302 57.345 -0.234 0.000 1.453 56 W CB 1.004 30.175 29.460 -0.482 0.000 1.263 56 W HN 0.427 nan 8.180 nan 0.000 0.380 57 L N 5.253 126.380 121.223 -0.161 0.000 2.397 57 L HA 0.368 4.684 4.340 -0.040 0.000 0.271 57 L C 0.750 177.627 176.870 0.011 0.000 1.148 57 L CA 0.380 55.193 54.840 -0.044 0.000 0.825 57 L CB 1.112 43.106 42.059 -0.109 0.000 1.117 57 L HN 0.234 nan 8.230 nan 0.000 0.456 58 T N 1.258 115.940 114.554 0.214 0.000 2.923 58 T HA 0.791 5.116 4.350 -0.040 0.000 0.311 58 T C -0.614 174.313 174.700 0.377 0.000 1.183 58 T CA 0.097 62.398 62.100 0.335 0.000 1.020 58 T CB 1.793 70.961 68.868 0.500 0.000 1.165 58 T HN 1.014 nan 8.240 nan 0.000 0.482 59 G N 2.176 111.146 108.800 0.283 0.000 2.336 59 G HA2 0.338 4.273 3.960 -0.040 0.000 0.300 59 G HA3 0.338 4.273 3.960 -0.040 0.000 0.300 59 G C -1.500 173.246 174.900 -0.257 0.000 1.375 59 G CA -0.921 44.148 45.100 -0.053 0.000 0.885 59 G HN 0.907 nan 8.290 nan 0.000 0.599 60 L N 0.773 121.738 121.223 -0.430 0.000 2.506 60 L HA 0.308 4.624 4.340 -0.040 0.000 0.281 60 L C 1.582 178.401 176.870 -0.085 0.000 1.228 60 L CA -0.102 54.586 54.840 -0.253 0.000 0.850 60 L CB 0.644 42.597 42.059 -0.178 0.000 1.110 60 L HN 0.571 nan 8.230 nan 0.000 0.496 61 S N 1.394 117.061 115.700 -0.055 0.000 2.626 61 S HA 0.181 4.627 4.470 -0.040 0.000 0.303 61 S C 1.078 175.803 174.600 0.208 0.000 1.256 61 S CA 0.786 59.023 58.200 0.061 0.000 1.069 61 S CB -0.173 63.062 63.200 0.060 0.000 0.807 61 S HN 1.023 nan 8.310 nan 0.000 0.500 62 G N 3.073 111.945 108.800 0.121 0.000 2.179 62 G HA2 -0.264 3.672 3.960 -0.040 0.000 0.260 62 G HA3 -0.264 3.672 3.960 -0.040 0.000 0.260 62 G C 0.841 175.732 174.900 -0.016 0.000 0.977 62 G CA 0.366 45.514 45.100 0.080 0.000 0.641 62 G HN 1.251 nan 8.290 nan 0.000 0.533 63 A N -0.477 122.314 122.820 -0.047 0.000 2.067 63 A HA 0.542 4.838 4.320 -0.040 0.000 0.217 63 A C 2.415 179.938 177.584 -0.101 0.000 1.156 63 A CA 2.228 54.204 52.037 -0.102 0.000 0.683 63 A CB -0.218 18.700 19.000 -0.137 0.000 0.808 63 A HN 2.423 nan 8.150 nan 0.000 0.455 64 G N -1.234 107.518 108.800 -0.081 0.000 2.174 64 G HA2 -0.133 3.803 3.960 -0.040 0.000 0.140 64 G HA3 -0.133 3.803 3.960 -0.040 0.000 0.140 64 G C 0.739 175.586 174.900 -0.089 0.000 1.031 64 G CA 0.375 45.425 45.100 -0.084 0.000 0.728 64 G HN 0.376 nan 8.290 nan 0.000 0.496 65 K N 0.012 120.356 120.400 -0.092 0.000 2.026 65 K HA -0.043 4.252 4.320 -0.040 0.000 0.208 65 K C 2.542 179.062 176.600 -0.133 0.000 1.048 65 K CA 1.870 58.090 56.287 -0.111 0.000 0.929 65 K CB -0.281 32.146 32.500 -0.122 0.000 0.713 65 K HN 0.275 nan 8.250 nan 0.000 0.439 66 T N 0.794 115.269 114.554 -0.131 0.000 2.708 66 T HA -0.132 4.194 4.350 -0.040 0.000 0.266 66 T C 1.991 176.624 174.700 -0.111 0.000 1.037 66 T CA 1.842 63.859 62.100 -0.138 0.000 1.146 66 T CB -0.391 68.407 68.868 -0.117 0.000 0.865 66 T HN 0.268 nan 8.240 nan 0.000 0.435 67 T N 1.797 116.296 114.554 -0.091 0.000 2.746 67 T HA -0.067 4.259 4.350 -0.040 0.000 0.267 67 T C 2.191 176.844 174.700 -0.078 0.000 1.039 67 T CA 0.932 62.986 62.100 -0.076 0.000 1.142 67 T CB -0.504 68.323 68.868 -0.067 0.000 0.866 67 T HN 0.138 nan 8.240 nan 0.000 0.444 68 V N 2.248 122.110 119.914 -0.086 0.000 2.295 68 V HA -0.183 3.912 4.120 -0.040 0.000 0.246 68 V C 2.845 178.886 176.094 -0.090 0.000 1.049 68 V CA 2.048 64.296 62.300 -0.086 0.000 1.024 68 V CB -0.977 30.792 31.823 -0.089 0.000 0.648 68 V HN 0.664 nan 8.190 nan 0.000 0.447 69 S N 0.063 115.697 115.700 -0.109 0.000 2.368 69 S HA -0.239 4.207 4.470 -0.040 0.000 0.225 69 S C 1.977 176.515 174.600 -0.103 0.000 1.030 69 S CA 1.869 59.997 58.200 -0.121 0.000 0.999 69 S CB -0.525 62.574 63.200 -0.168 0.000 0.844 69 S HN 0.514 nan 8.310 nan 0.000 0.459 70 M N 1.506 121.048 119.600 -0.097 0.000 2.175 70 M HA 0.063 4.519 4.480 -0.040 0.000 0.264 70 M C 2.754 179.026 176.300 -0.046 0.000 1.063 70 M CA 1.479 56.731 55.300 -0.079 0.000 1.119 70 M CB -0.828 31.726 32.600 -0.076 0.000 1.377 70 M HN 0.565 nan 8.290 nan 0.000 0.415 71 A N 0.316 123.112 122.820 -0.039 0.000 1.968 71 A HA -0.085 4.211 4.320 -0.040 0.000 0.217 71 A C 2.096 179.693 177.584 0.021 0.000 1.169 71 A CA 0.956 52.987 52.037 -0.010 0.000 0.638 71 A CB -0.595 18.392 19.000 -0.022 0.000 0.812 71 A HN 0.412 nan 8.150 nan 0.000 0.446 72 L N 0.178 121.394 121.223 -0.012 0.000 2.027 72 L HA -0.118 4.198 4.340 -0.040 0.000 0.206 72 L C 2.247 179.148 176.870 0.053 0.000 1.074 72 L CA 2.616 57.458 54.840 0.004 0.000 0.745 72 L CB -0.628 41.399 42.059 -0.053 0.000 0.898 72 L HN 0.585 nan 8.230 nan 0.000 0.433 73 E N -0.582 119.620 120.200 0.004 0.000 2.070 73 E HA -0.323 4.003 4.350 -0.040 0.000 0.197 73 E C 2.131 178.753 176.600 0.037 0.000 1.004 73 E CA 1.817 58.218 56.400 0.003 0.000 0.805 73 E CB -0.197 29.473 29.700 -0.051 0.000 0.744 73 E HN 0.662 nan 8.360 nan 0.000 0.451 74 E N -0.768 119.455 120.200 0.038 0.000 2.106 74 E HA -0.202 4.124 4.350 -0.040 0.000 0.192 74 E C 1.949 178.591 176.600 0.069 0.000 0.984 74 E CA 0.881 57.300 56.400 0.033 0.000 0.806 74 E CB -0.189 29.521 29.700 0.018 0.000 0.750 74 E HN 0.375 nan 8.360 nan 0.000 0.458 75 Y N 1.282 121.598 120.300 0.027 0.000 2.128 75 Y HA -0.236 4.290 4.550 -0.040 0.000 0.284 75 Y C 1.972 177.971 175.900 0.166 0.000 1.154 75 Y CA 1.707 59.871 58.100 0.107 0.000 1.149 75 Y CB -0.323 38.177 38.460 0.067 0.000 0.976 75 Y HN -0.009 nan 8.280 nan 0.000 0.505 76 L N -1.150 120.222 121.223 0.248 0.000 2.017 76 L HA -0.233 4.082 4.340 -0.040 0.000 0.208 76 L C 2.403 179.294 176.870 0.037 0.000 1.073 76 L CA 1.285 56.221 54.840 0.160 0.000 0.745 76 L CB -0.886 41.258 42.059 0.143 0.000 0.894 76 L HN 0.114 nan 8.230 nan 0.000 0.432 77 V N -0.887 119.034 119.914 0.012 0.000 2.332 77 V HA -0.362 3.734 4.120 -0.040 0.000 0.248 77 V C 2.583 178.624 176.094 -0.088 0.000 1.055 77 V CA 1.944 64.231 62.300 -0.022 0.000 1.038 77 V CB -0.537 31.277 31.823 -0.016 0.000 0.651 77 V HN 0.663 nan 8.190 nan 0.000 0.450 78 C N -0.164 119.044 119.300 -0.153 0.000 2.432 78 C HA -0.125 4.310 4.460 -0.040 0.000 0.282 78 C C 2.107 176.792 174.990 -0.507 0.000 1.388 78 C CA 0.933 59.766 59.018 -0.308 0.000 1.777 78 C CB -1.388 26.131 27.740 -0.369 0.000 1.882 78 C HN 0.731 nan 8.230 nan 0.000 0.520 79 H N -0.863 118.043 119.070 -0.274 0.000 2.487 79 H HA 0.320 4.852 4.556 -0.040 0.000 0.290 79 H C 1.507 176.758 175.328 -0.129 0.000 1.081 79 H CA 0.674 56.575 56.048 -0.246 0.000 1.116 79 H CB -0.194 29.334 29.762 -0.391 0.000 1.560 79 H HN 0.451 nan 8.280 nan 0.000 0.548 80 G N 1.179 109.956 108.800 -0.038 0.000 2.176 80 G HA2 -0.286 3.650 3.960 -0.040 0.000 0.252 80 G HA3 -0.286 3.650 3.960 -0.040 0.000 0.252 80 G C 0.006 174.912 174.900 0.009 0.000 1.024 80 G CA 0.166 45.257 45.100 -0.016 0.000 0.755 80 G HN 0.422 nan 8.290 nan 0.000 0.507 81 I N 1.254 121.837 120.570 0.023 0.000 2.405 81 I HA 0.259 4.405 4.170 -0.040 0.000 0.280 81 I C -2.143 173.996 176.117 0.037 0.000 1.027 81 I CA -2.367 58.953 61.300 0.033 0.000 1.161 81 I CB 1.786 39.816 38.000 0.051 0.000 1.300 81 I HN -0.155 nan 8.210 nan 0.000 0.463 82 P HA 0.045 nan 4.420 nan 0.000 0.265 82 P C -0.729 176.613 177.300 0.070 0.000 1.193 82 P CA -0.162 62.970 63.100 0.054 0.000 0.765 82 P CB 0.425 32.157 31.700 0.053 0.000 0.823 83 C N 2.093 121.448 119.300 0.092 0.000 3.241 83 C HA 0.811 5.247 4.460 -0.040 0.000 0.312 83 C C -1.647 173.435 174.990 0.153 0.000 1.350 83 C CA -0.978 58.098 59.018 0.098 0.000 1.415 83 C CB 0.994 28.767 27.740 0.055 0.000 1.770 83 C HN 0.569 nan 8.230 nan 0.000 0.466 84 Y N -0.253 119.994 120.300 -0.090 0.000 2.482 84 Y HA 0.612 5.137 4.550 -0.040 0.000 0.334 84 Y C -0.372 175.384 175.900 -0.241 0.000 1.091 84 Y CA 0.016 57.995 58.100 -0.203 0.000 1.027 84 Y CB 2.221 40.444 38.460 -0.393 0.000 1.306 84 Y HN 0.946 nan 8.280 nan 0.000 0.446 85 T N 6.630 120.767 114.554 -0.696 0.000 2.767 85 T HA 0.533 4.859 4.350 -0.040 0.000 0.284 85 T C -0.665 173.703 174.700 -0.553 0.000 0.973 85 T CA -0.527 61.272 62.100 -0.501 0.000 0.996 85 T CB 0.375 69.009 68.868 -0.391 0.000 0.927 85 T HN 0.431 nan 8.240 nan 0.000 0.456 86 L N 5.076 126.138 121.223 -0.268 0.000 2.272 86 L HA 0.570 4.886 4.340 -0.040 0.000 0.289 86 L C -0.060 176.720 176.870 -0.150 0.000 1.032 86 L CA -0.718 54.076 54.840 -0.075 0.000 0.810 86 L CB 0.694 42.840 42.059 0.145 0.000 1.205 86 L HN 0.738 nan 8.230 nan 0.000 0.422 87 D N 1.448 121.720 120.400 -0.213 0.000 2.812 87 D HA 0.241 4.857 4.640 -0.040 0.000 0.318 87 D C 0.962 177.104 176.300 -0.264 0.000 1.234 87 D CA -0.249 53.397 54.000 -0.589 0.000 0.989 87 D CB 0.703 41.219 40.800 -0.473 0.000 1.442 87 D HN 0.277 nan 8.370 nan 0.000 0.537 88 G N -0.797 107.824 108.800 -0.299 0.000 2.475 88 G HA2 -0.232 3.704 3.960 -0.040 0.000 0.220 88 G HA3 -0.232 3.704 3.960 -0.040 0.000 0.220 88 G C 0.725 175.624 174.900 -0.002 0.000 1.125 88 G CA 0.923 46.003 45.100 -0.034 0.000 0.755 88 G HN 0.508 nan 8.290 nan 0.000 0.565 89 D N 0.262 120.629 120.400 -0.055 0.000 2.355 89 D HA -0.030 4.586 4.640 -0.040 0.000 0.218 89 D C 1.884 178.182 176.300 -0.004 0.000 1.004 89 D CA 0.874 54.856 54.000 -0.030 0.000 0.880 89 D CB 0.168 40.931 40.800 -0.061 0.000 0.911 89 D HN 0.554 nan 8.370 nan 0.000 0.528 90 N N -0.676 118.033 118.700 0.014 0.000 2.325 90 N HA -0.035 4.681 4.740 -0.040 0.000 0.220 90 N C 1.368 176.942 175.510 0.107 0.000 1.176 90 N CA -0.087 52.998 53.050 0.059 0.000 0.861 90 N CB 0.177 38.701 38.487 0.061 0.000 1.230 90 N HN -0.046 nan 8.380 nan 0.000 0.479 91 I N 1.569 122.225 120.570 0.144 0.000 2.296 91 I HA 0.077 4.222 4.170 -0.040 0.000 0.242 91 I C 2.542 178.733 176.117 0.123 0.000 1.087 91 I CA 0.695 62.096 61.300 0.169 0.000 1.393 91 I CB -0.812 37.353 38.000 0.275 0.000 1.093 91 I HN 0.198 nan 8.210 nan 0.000 0.421 92 R N 0.824 121.406 120.500 0.137 0.000 2.083 92 R HA -0.187 4.129 4.340 -0.040 0.000 0.237 92 R C 1.883 178.219 176.300 0.059 0.000 1.137 92 R CA 1.613 57.773 56.100 0.101 0.000 0.951 92 R CB 0.009 30.376 30.300 0.112 0.000 0.851 92 R HN 0.446 nan 8.270 nan 0.000 0.434 93 Q N -1.514 118.320 119.800 0.058 0.000 2.319 93 Q HA 0.121 4.437 4.340 -0.040 0.000 0.202 93 Q C 0.782 176.807 176.000 0.042 0.000 0.896 93 Q CA 0.271 56.099 55.803 0.042 0.000 0.942 93 Q CB 1.513 30.275 28.738 0.040 0.000 1.083 93 Q HN 0.450 nan 8.270 nan 0.000 0.510 94 G N 0.349 109.180 108.800 0.052 0.000 2.560 94 G HA2 -0.011 3.925 3.960 -0.040 0.000 0.212 94 G HA3 -0.011 3.925 3.960 -0.040 0.000 0.212 94 G C 0.779 175.707 174.900 0.047 0.000 2.038 94 G CA -0.242 44.890 45.100 0.052 0.000 0.728 94 G HN 0.165 nan 8.290 nan 0.000 0.784 95 L N 1.147 122.406 121.223 0.060 0.000 2.051 95 L HA -0.025 4.291 4.340 -0.040 0.000 0.214 95 L C 1.598 178.486 176.870 0.028 0.000 1.076 95 L CA 2.017 56.886 54.840 0.050 0.000 0.758 95 L CB -0.622 41.478 42.059 0.067 0.000 0.890 95 L HN 0.383 nan 8.230 nan 0.000 0.433 96 N N -0.988 117.727 118.700 0.025 0.000 2.251 96 N HA -0.003 4.712 4.740 -0.040 0.000 0.217 96 N C 1.099 176.601 175.510 -0.014 0.000 1.124 96 N CA 0.144 53.194 53.050 0.001 0.000 0.843 96 N CB 0.220 38.703 38.487 -0.007 0.000 1.024 96 N HN 0.501 nan 8.380 nan 0.000 0.501 97 K N 0.861 121.259 120.400 -0.003 0.000 2.283 97 K HA -0.098 4.197 4.320 -0.040 0.000 0.202 97 K C 0.955 177.535 176.600 -0.033 0.000 1.048 97 K CA 1.182 57.462 56.287 -0.011 0.000 0.948 97 K CB -0.136 32.367 32.500 0.004 0.000 0.742 97 K HN 0.111 nan 8.250 nan 0.000 0.458 98 N N 1.398 120.080 118.700 -0.030 0.000 2.313 98 N HA 0.052 4.768 4.740 -0.040 0.000 0.207 98 N C -0.471 175.002 175.510 -0.061 0.000 1.141 98 N CA -0.000 53.027 53.050 -0.037 0.000 0.830 98 N CB 0.006 38.480 38.487 -0.020 0.000 1.008 98 N HN 0.220 nan 8.380 nan 0.000 0.481 99 L N -0.265 120.903 121.223 -0.092 0.000 2.341 99 L HA 0.674 4.989 4.340 -0.040 0.000 0.278 99 L C 0.884 177.599 176.870 -0.258 0.000 1.005 99 L CA -1.038 53.725 54.840 -0.128 0.000 0.818 99 L CB 1.987 43.986 42.059 -0.101 0.000 1.259 99 L HN 0.118 nan 8.230 nan 0.000 0.418 100 G N 1.061 109.685 108.800 -0.294 0.000 3.075 100 G HA2 0.339 4.275 3.960 -0.040 0.000 0.156 100 G HA3 0.339 4.275 3.960 -0.040 0.000 0.156 100 G C 0.025 174.559 174.900 -0.610 0.000 1.403 100 G CA -0.120 44.627 45.100 -0.588 0.000 1.033 100 G HN 0.476 nan 8.290 nan 0.000 0.589 101 F N 0.979 120.957 119.950 0.046 0.000 2.682 101 F HA 0.252 4.754 4.527 -0.040 0.000 0.308 101 F C 1.848 177.683 175.800 0.057 0.000 1.093 101 F CA -0.014 58.020 58.000 0.057 0.000 1.244 101 F CB 0.434 39.469 39.000 0.058 0.000 1.052 101 F HN 0.247 nan 8.300 nan 0.000 0.573 102 S N 1.265 117.055 115.700 0.150 0.000 2.560 102 S HA 0.004 4.450 4.470 -0.040 0.000 0.276 102 S C -1.710 172.953 174.600 0.105 0.000 1.350 102 S CA -0.883 57.383 58.200 0.110 0.000 1.024 102 S CB 0.768 64.005 63.200 0.061 0.000 0.864 102 S HN -0.077 nan 8.310 nan 0.000 0.536 103 P HA -0.050 nan 4.420 nan 0.000 0.217 103 P C 1.037 178.375 177.300 0.063 0.000 1.150 103 P CA 1.167 64.321 63.100 0.090 0.000 0.832 103 P CB -0.009 31.723 31.700 0.054 0.000 0.787 104 E N -0.515 119.708 120.200 0.039 0.000 2.110 104 E HA -0.161 4.165 4.350 -0.040 0.000 0.193 104 E C 1.670 178.284 176.600 0.024 0.000 0.988 104 E CA 1.210 57.624 56.400 0.023 0.000 0.804 104 E CB -0.967 28.740 29.700 0.012 0.000 0.745 104 E HN 0.259 nan 8.360 nan 0.000 0.458 105 D N -0.121 120.293 120.400 0.022 0.000 2.149 105 D HA -0.033 4.583 4.640 -0.040 0.000 0.201 105 D C 1.854 178.162 176.300 0.012 0.000 0.972 105 D CA 0.693 54.692 54.000 -0.002 0.000 0.835 105 D CB -0.059 40.718 40.800 -0.038 0.000 0.966 105 D HN 0.055 nan 8.370 nan 0.000 0.476 106 R N 0.515 121.049 120.500 0.056 0.000 2.081 106 R HA -0.087 4.229 4.340 -0.040 0.000 0.235 106 R C 2.177 178.528 176.300 0.086 0.000 1.131 106 R CA 1.087 57.241 56.100 0.090 0.000 0.960 106 R CB -0.107 30.289 30.300 0.160 0.000 0.856 106 R HN 0.276 nan 8.270 nan 0.000 0.436 107 E N 0.789 121.041 120.200 0.086 0.000 2.051 107 E HA -0.262 4.063 4.350 -0.040 0.000 0.192 107 E C 1.828 178.452 176.600 0.040 0.000 0.991 107 E CA 1.446 57.890 56.400 0.073 0.000 0.799 107 E CB 0.105 29.833 29.700 0.048 0.000 0.748 107 E HN 0.123 nan 8.360 nan 0.000 0.449 108 E N 1.188 121.401 120.200 0.022 0.000 2.110 108 E HA -0.228 4.098 4.350 -0.040 0.000 0.193 108 E C 1.760 178.359 176.600 -0.002 0.000 0.988 108 E CA 1.575 57.980 56.400 0.008 0.000 0.804 108 E CB -0.440 29.260 29.700 -0.001 0.000 0.745 108 E HN 0.348 nan 8.360 nan 0.000 0.458 109 N N -0.232 118.460 118.700 -0.013 0.000 2.018 109 N HA -0.187 4.529 4.740 -0.040 0.000 0.196 109 N C 1.761 177.224 175.510 -0.079 0.000 1.043 109 N CA 2.440 55.458 53.050 -0.053 0.000 0.856 109 N CB -0.102 38.355 38.487 -0.049 0.000 1.042 109 N HN 0.161 nan 8.380 nan 0.000 0.423 110 V N 1.554 121.456 119.914 -0.020 0.000 2.427 110 V HA -0.138 3.958 4.120 -0.040 0.000 0.248 110 V C 2.717 178.871 176.094 0.100 0.000 1.051 110 V CA 1.441 63.770 62.300 0.048 0.000 1.048 110 V CB -0.733 31.177 31.823 0.145 0.000 0.666 110 V HN 0.369 nan 8.190 nan 0.000 0.456 111 R N 0.264 120.799 120.500 0.058 0.000 2.083 111 R HA -0.169 4.147 4.340 -0.040 0.000 0.237 111 R C 2.582 178.920 176.300 0.063 0.000 1.137 111 R CA 1.723 57.854 56.100 0.051 0.000 0.951 111 R CB -0.164 30.150 30.300 0.024 0.000 0.851 111 R HN 0.445 nan 8.270 nan 0.000 0.434 112 R N 0.029 120.552 120.500 0.039 0.000 2.081 112 R HA -0.090 4.226 4.340 -0.040 0.000 0.235 112 R C 2.387 178.732 176.300 0.075 0.000 1.131 112 R CA 1.613 57.739 56.100 0.044 0.000 0.960 112 R CB -0.375 29.936 30.300 0.019 0.000 0.856 112 R HN 0.296 nan 8.270 nan 0.000 0.436 113 I N 0.747 121.342 120.570 0.041 0.000 2.226 113 I HA -0.274 3.871 4.170 -0.040 0.000 0.245 113 I C 2.646 178.933 176.117 0.284 0.000 1.100 113 I CA 1.340 62.677 61.300 0.063 0.000 1.374 113 I CB -0.420 37.443 38.000 -0.228 0.000 1.057 113 I HN 0.188 nan 8.210 nan 0.000 0.413 114 A N 0.301 123.341 122.820 0.367 0.000 1.902 114 A HA -0.190 4.106 4.320 -0.040 0.000 0.217 114 A C 2.251 180.032 177.584 0.329 0.000 1.181 114 A CA 1.462 53.772 52.037 0.456 0.000 0.623 114 A CB -0.423 18.726 19.000 0.249 0.000 0.818 114 A HN 0.350 nan 8.150 nan 0.000 0.443 115 E N -0.093 120.218 120.200 0.184 0.000 2.077 115 E HA -0.120 4.206 4.350 -0.040 0.000 0.193 115 E C 2.208 178.891 176.600 0.137 0.000 0.989 115 E CA 1.368 57.834 56.400 0.111 0.000 0.800 115 E CB -0.539 29.199 29.700 0.063 0.000 0.746 115 E HN 0.419 nan 8.360 nan 0.000 0.452 116 V N 1.633 121.665 119.914 0.197 0.000 2.358 116 V HA -0.223 3.873 4.120 -0.040 0.000 0.246 116 V C 2.487 178.824 176.094 0.406 0.000 1.047 116 V CA 1.700 64.161 62.300 0.267 0.000 1.035 116 V CB -0.875 31.124 31.823 0.293 0.000 0.658 116 V HN 0.234 nan 8.190 nan 0.000 0.452 117 A N 0.068 123.147 122.820 0.433 0.000 1.908 117 A HA -0.298 3.998 4.320 -0.040 0.000 0.218 117 A C 2.351 180.223 177.584 0.480 0.000 1.181 117 A CA 2.326 54.678 52.037 0.525 0.000 0.627 117 A CB -0.529 18.838 19.000 0.610 0.000 0.818 117 A HN 0.555 nan 8.150 nan 0.000 0.445 118 K N -0.204 120.338 120.400 0.237 0.000 2.097 118 K HA -0.075 4.221 4.320 -0.040 0.000 0.206 118 K C 1.847 178.456 176.600 0.016 0.000 1.049 118 K CA 1.309 57.520 56.287 -0.126 0.000 0.933 118 K CB -0.318 31.967 32.500 -0.357 0.000 0.717 118 K HN 0.496 nan 8.250 nan 0.000 0.442 119 L N -0.014 121.236 121.223 0.045 0.000 2.017 119 L HA -0.157 4.159 4.340 -0.040 0.000 0.208 119 L C 2.334 179.162 176.870 -0.070 0.000 1.073 119 L CA 1.259 56.071 54.840 -0.048 0.000 0.745 119 L CB -0.528 41.459 42.059 -0.119 0.000 0.894 119 L HN 0.120 nan 8.230 nan 0.000 0.432 120 F N 0.208 120.212 119.950 0.090 0.000 2.126 120 F HA -0.235 4.268 4.527 -0.040 0.000 0.299 120 F C 2.616 178.482 175.800 0.110 0.000 1.096 120 F CA 1.413 59.472 58.000 0.097 0.000 1.255 120 F CB -0.638 38.447 39.000 0.142 0.000 0.997 120 F HN 0.017 nan 8.300 nan 0.000 0.479 121 A N -0.547 122.456 122.820 0.305 0.000 1.930 121 A HA -0.223 4.073 4.320 -0.040 0.000 0.217 121 A C 1.855 179.597 177.584 0.263 0.000 1.175 121 A CA 1.922 54.111 52.037 0.254 0.000 0.627 121 A CB -0.947 18.241 19.000 0.313 0.000 0.815 121 A HN 0.364 nan 8.150 nan 0.000 0.443 122 D N -0.026 120.500 120.400 0.210 0.000 2.178 122 D HA -0.017 4.599 4.640 -0.040 0.000 0.201 122 D C 1.853 178.301 176.300 0.247 0.000 0.980 122 D CA 1.356 55.487 54.000 0.218 0.000 0.842 122 D CB -0.162 40.670 40.800 0.053 0.000 0.948 122 D HN 0.335 nan 8.370 nan 0.000 0.472 123 A N -0.919 121.978 122.820 0.128 0.000 2.168 123 A HA 0.341 4.637 4.320 -0.040 0.000 0.215 123 A C 1.928 179.602 177.584 0.150 0.000 1.152 123 A CA 1.368 53.455 52.037 0.083 0.000 0.716 123 A CB -0.479 18.490 19.000 -0.051 0.000 0.794 123 A HN 0.509 nan 8.150 nan 0.000 0.465 124 G N -2.594 106.285 108.800 0.130 0.000 2.163 124 G HA2 -0.138 3.798 3.960 -0.040 0.000 0.213 124 G HA3 -0.138 3.798 3.960 -0.040 0.000 0.213 124 G C -0.133 174.681 174.900 -0.144 0.000 0.991 124 G CA 0.127 45.122 45.100 -0.175 0.000 0.653 124 G HN 0.326 nan 8.290 nan 0.000 0.518 125 L N 0.754 121.993 121.223 0.027 0.000 2.399 125 L HA 0.632 4.948 4.340 -0.040 0.000 0.266 125 L C 0.987 177.907 176.870 0.084 0.000 1.114 125 L CA -0.715 54.179 54.840 0.090 0.000 0.804 125 L CB 1.643 43.844 42.059 0.237 0.000 1.146 125 L HN -0.032 nan 8.230 nan 0.000 0.451 126 V N 1.550 121.510 119.914 0.077 0.000 2.405 126 V HA 0.082 4.178 4.120 -0.040 0.000 0.264 126 V C 0.068 176.228 176.094 0.110 0.000 1.048 126 V CA -0.427 61.928 62.300 0.091 0.000 0.966 126 V CB 0.858 32.719 31.823 0.064 0.000 1.015 126 V HN 0.825 nan 8.190 nan 0.000 0.477 127 C N 7.991 127.379 119.300 0.145 0.000 2.285 127 C HA 0.629 5.065 4.460 -0.040 0.000 0.335 127 C C 0.025 175.051 174.990 0.059 0.000 1.267 127 C CA -0.694 58.394 59.018 0.116 0.000 1.762 127 C CB -0.997 26.883 27.740 0.233 0.000 2.365 127 C HN 0.788 nan 8.230 nan 0.000 0.527 128 I N 6.274 126.826 120.570 -0.030 0.000 2.354 128 I HA 0.368 4.514 4.170 -0.040 0.000 0.292 128 I C 0.599 176.637 176.117 -0.133 0.000 0.989 128 I CA 0.138 61.391 61.300 -0.077 0.000 1.188 128 I CB 1.933 39.869 38.000 -0.107 0.000 1.342 128 I HN 0.744 nan 8.210 nan 0.000 0.457 129 T N 1.309 115.756 114.554 -0.178 0.000 2.855 129 T HA 0.458 4.784 4.350 -0.040 0.000 0.281 129 T C -0.245 174.220 174.700 -0.391 0.000 1.007 129 T CA -0.733 61.208 62.100 -0.265 0.000 1.009 129 T CB 1.755 70.391 68.868 -0.386 0.000 0.983 129 T HN 0.431 nan 8.240 nan 0.000 0.455 130 S N 2.630 118.025 115.700 -0.508 0.000 2.252 130 S HA 0.618 5.064 4.470 -0.040 0.000 0.187 130 S C -1.571 172.533 174.600 -0.827 0.000 1.587 130 S CA -0.770 57.101 58.200 -0.548 0.000 1.215 130 S CB -0.775 62.140 63.200 -0.475 0.000 1.085 130 S HN 0.593 nan 8.310 nan 0.000 0.466 131 F N 1.763 121.553 119.950 -0.266 0.000 2.588 131 F HA 0.522 5.025 4.527 -0.040 0.000 0.310 131 F C 1.145 176.908 175.800 -0.060 0.000 1.082 131 F CA -1.060 56.850 58.000 -0.150 0.000 0.929 131 F CB 1.149 40.052 39.000 -0.162 0.000 1.254 131 F HN 0.224 nan 8.300 nan 0.000 0.455 132 I N 0.917 121.590 120.570 0.172 0.000 2.194 132 I HA -0.290 3.856 4.170 -0.040 0.000 0.246 132 I C 1.145 177.424 176.117 0.271 0.000 1.093 132 I CA 1.505 62.902 61.300 0.161 0.000 1.355 132 I CB -0.508 37.535 38.000 0.071 0.000 1.046 132 I HN 0.773 nan 8.210 nan 0.000 0.413 133 S N -0.550 115.296 115.700 0.244 0.000 3.447 133 S HA -0.124 4.322 4.470 -0.040 0.000 0.371 133 S C -1.117 173.539 174.600 0.093 0.000 0.951 133 S CA 0.425 58.784 58.200 0.265 0.000 1.269 133 S CB -1.905 61.652 63.200 0.594 0.000 0.919 133 S HN 0.373 nan 8.310 nan 0.000 0.516 134 P HA -0.044 nan 4.420 nan 0.000 0.220 134 P C 0.215 177.150 177.300 -0.610 0.000 1.148 134 P CA 1.132 63.949 63.100 -0.473 0.000 0.803 134 P CB -0.139 31.192 31.700 -0.614 0.000 0.782 135 Y N -0.473 119.749 120.300 -0.130 0.000 2.335 135 Y HA 0.177 4.702 4.550 -0.040 0.000 0.339 135 Y C 2.082 177.899 175.900 -0.140 0.000 0.987 135 Y CA -0.774 57.243 58.100 -0.138 0.000 1.140 135 Y CB 0.766 39.183 38.460 -0.071 0.000 1.173 135 Y HN -0.278 nan 8.280 nan 0.000 0.486 136 T N 0.951 115.500 114.554 -0.008 0.000 2.680 136 T HA -0.356 3.970 4.350 -0.040 0.000 0.268 136 T C 1.835 176.503 174.700 -0.053 0.000 1.033 136 T CA 2.204 64.267 62.100 -0.062 0.000 1.152 136 T CB -0.115 68.709 68.868 -0.074 0.000 0.859 136 T HN 0.763 nan 8.240 nan 0.000 0.452 137 Q N 0.320 120.107 119.800 -0.022 0.000 2.123 137 Q HA -0.152 4.164 4.340 -0.040 0.000 0.199 137 Q C 1.662 177.630 176.000 -0.054 0.000 0.966 137 Q CA 1.403 57.176 55.803 -0.050 0.000 0.845 137 Q CB -0.045 28.662 28.738 -0.053 0.000 0.907 137 Q HN 0.457 nan 8.270 nan 0.000 0.439 138 D N 0.556 120.956 120.400 -0.000 0.000 2.097 138 D HA -0.139 4.477 4.640 -0.040 0.000 0.197 138 D C 2.016 178.240 176.300 -0.127 0.000 0.984 138 D CA 1.111 55.107 54.000 -0.008 0.000 0.826 138 D CB -0.114 40.745 40.800 0.099 0.000 0.973 138 D HN 0.322 nan 8.370 nan 0.000 0.460 139 R N 0.522 120.932 120.500 -0.149 0.000 2.075 139 R HA -0.045 4.271 4.340 -0.040 0.000 0.232 139 R C 1.966 178.029 176.300 -0.394 0.000 1.126 139 R CA 0.752 56.648 56.100 -0.341 0.000 0.963 139 R CB -0.234 29.948 30.300 -0.196 0.000 0.858 139 R HN 0.132 nan 8.270 nan 0.000 0.435 140 N N 0.893 119.439 118.700 -0.257 0.000 2.149 140 N HA -0.189 4.526 4.740 -0.040 0.000 0.188 140 N C 1.390 176.728 175.510 -0.286 0.000 1.019 140 N CA 1.046 53.942 53.050 -0.257 0.000 0.857 140 N CB -0.582 37.808 38.487 -0.162 0.000 0.997 140 N HN 0.339 nan 8.380 nan 0.000 0.426 141 N N 0.691 119.251 118.700 -0.233 0.000 2.084 141 N HA -0.127 4.589 4.740 -0.040 0.000 0.190 141 N C 1.541 176.891 175.510 -0.268 0.000 1.030 141 N CA 1.349 54.278 53.050 -0.201 0.000 0.849 141 N CB 0.006 38.416 38.487 -0.129 0.000 1.012 141 N HN 0.194 nan 8.380 nan 0.000 0.423 142 A N 1.798 124.387 122.820 -0.385 0.000 1.908 142 A HA -0.182 4.114 4.320 -0.040 0.000 0.218 142 A C 2.266 179.417 177.584 -0.721 0.000 1.181 142 A CA 1.334 53.102 52.037 -0.449 0.000 0.627 142 A CB -0.764 17.755 19.000 -0.802 0.000 0.818 142 A HN 0.426 nan 8.150 nan 0.000 0.445 143 R N -0.404 119.353 120.500 -1.239 0.000 2.083 143 R HA -0.238 4.077 4.340 -0.040 0.000 0.237 143 R C 2.452 178.393 176.300 -0.599 0.000 1.137 143 R CA 2.041 57.238 56.100 -1.505 0.000 0.951 143 R CB -0.349 29.336 30.300 -1.025 0.000 0.851 143 R HN 0.745 nan 8.270 nan 0.000 0.434 144 Q N 0.352 119.924 119.800 -0.380 0.000 2.119 144 Q HA -0.140 4.176 4.340 -0.040 0.000 0.201 144 Q C 2.096 178.016 176.000 -0.133 0.000 0.972 144 Q CA 1.551 57.231 55.803 -0.205 0.000 0.847 144 Q CB -0.073 28.566 28.738 -0.166 0.000 0.903 144 Q HN 0.492 nan 8.270 nan 0.000 0.433 145 I N 0.424 120.925 120.570 -0.114 0.000 2.208 145 I HA -0.308 3.838 4.170 -0.040 0.000 0.245 145 I C 1.892 177.958 176.117 -0.084 0.000 1.097 145 I CA 1.459 62.715 61.300 -0.072 0.000 1.363 145 I CB -0.201 37.778 38.000 -0.035 0.000 1.051 145 I HN 0.341 nan 8.210 nan 0.000 0.413 146 H N 0.239 119.234 119.070 -0.124 0.000 2.307 146 H HA -0.086 4.446 4.556 -0.040 0.000 0.303 146 H C 2.148 177.451 175.328 -0.042 0.000 1.073 146 H CA 1.310 57.339 56.048 -0.031 0.000 1.338 146 H CB -0.117 29.680 29.762 0.059 0.000 1.389 146 H HN 0.283 nan 8.280 nan 0.000 0.503 147 E N -0.280 119.932 120.200 0.020 0.000 2.150 147 E HA -0.082 4.244 4.350 -0.040 0.000 0.193 147 E C 2.410 178.998 176.600 -0.019 0.000 0.985 147 E CA 0.662 57.057 56.400 -0.008 0.000 0.814 147 E CB -0.141 29.527 29.700 -0.053 0.000 0.752 147 E HN 0.551 nan 8.360 nan 0.000 0.466 148 G N 1.018 109.795 108.800 -0.038 0.000 2.462 148 G HA2 -0.209 3.727 3.960 -0.040 0.000 0.220 148 G HA3 -0.209 3.727 3.960 -0.040 0.000 0.220 148 G C 1.329 176.210 174.900 -0.033 0.000 1.121 148 G CA 0.756 45.832 45.100 -0.039 0.000 0.758 148 G HN 0.307 nan 8.290 nan 0.000 0.559 149 A N -0.485 122.316 122.820 -0.031 0.000 2.460 149 A HA 0.561 4.857 4.320 -0.040 0.000 0.258 149 A C 1.355 178.935 177.584 -0.006 0.000 1.300 149 A CA 0.871 52.890 52.037 -0.030 0.000 0.913 149 A CB -0.027 18.942 19.000 -0.051 0.000 1.031 149 A HN 0.565 nan 8.150 nan 0.000 0.512 150 S N -1.227 114.478 115.700 0.008 0.000 3.641 150 S HA -0.147 4.299 4.470 -0.040 0.000 0.346 150 S C -0.100 174.545 174.600 0.075 0.000 1.074 150 S CA 0.894 59.111 58.200 0.028 0.000 1.026 150 S CB -1.902 61.303 63.200 0.009 0.000 0.908 150 S HN 0.563 nan 8.310 nan 0.000 0.479 151 L N 1.025 122.309 121.223 0.101 0.000 2.313 151 L HA 0.466 4.782 4.340 -0.040 0.000 0.283 151 L C -2.236 174.731 176.870 0.161 0.000 1.013 151 L CA -2.421 52.527 54.840 0.180 0.000 0.816 151 L CB 1.380 43.559 42.059 0.201 0.000 1.236 151 L HN -0.115 nan 8.230 nan 0.000 0.419 152 P HA 0.048 nan 4.420 nan 0.000 0.268 152 P C -1.211 175.952 177.300 -0.229 0.000 1.204 152 P CA 0.201 63.216 63.100 -0.141 0.000 0.768 152 P CB 0.325 31.924 31.700 -0.168 0.000 0.842 153 F N 4.062 123.652 119.950 -0.599 0.000 2.536 153 F HA 0.546 5.048 4.527 -0.040 0.000 0.322 153 F C -1.404 174.049 175.800 -0.580 0.000 1.144 153 F CA -0.789 56.916 58.000 -0.491 0.000 0.924 153 F CB 0.871 39.687 39.000 -0.308 0.000 1.181 153 F HN 0.125 nan 8.300 nan 0.000 0.438 154 F N 4.614 124.380 119.950 -0.306 0.000 2.403 154 F HA 0.302 4.805 4.527 -0.040 0.000 0.355 154 F C -0.060 175.581 175.800 -0.265 0.000 1.119 154 F CA -0.785 57.117 58.000 -0.162 0.000 1.007 154 F CB 1.496 40.442 39.000 -0.090 0.000 1.194 154 F HN 0.419 nan 8.300 nan 0.000 0.443 155 E N 3.660 123.894 120.200 0.057 0.000 2.089 155 E HA 0.417 4.743 4.350 -0.040 0.000 0.284 155 E C -1.309 175.401 176.600 0.184 0.000 1.023 155 E CA -0.396 56.081 56.400 0.129 0.000 0.819 155 E CB 1.058 30.893 29.700 0.225 0.000 1.076 155 E HN 0.430 nan 8.360 nan 0.000 0.396 156 V N 6.472 126.502 119.914 0.193 0.000 2.334 156 V HA 0.186 4.281 4.120 -0.040 0.000 0.281 156 V C -0.415 175.838 176.094 0.265 0.000 1.016 156 V CA -0.790 61.615 62.300 0.175 0.000 0.832 156 V CB 0.671 32.544 31.823 0.082 0.000 0.999 156 V HN 0.583 nan 8.190 nan 0.000 0.439 157 F N 6.600 126.604 119.950 0.090 0.000 2.405 157 F HA 0.445 4.948 4.527 -0.040 0.000 0.358 157 F C 0.190 176.011 175.800 0.036 0.000 1.151 157 F CA -1.080 56.978 58.000 0.098 0.000 1.161 157 F CB 0.936 40.004 39.000 0.113 0.000 1.245 157 F HN 0.270 nan 8.300 nan 0.000 0.545 158 V N 6.215 126.163 119.914 0.057 0.000 2.370 158 V HA 0.076 4.171 4.120 -0.040 0.000 0.257 158 V C -0.177 175.660 176.094 -0.428 0.000 1.064 158 V CA -0.297 61.900 62.300 -0.172 0.000 0.975 158 V CB 0.370 32.147 31.823 -0.077 0.000 1.067 158 V HN 0.562 nan 8.190 nan 0.000 0.485 159 D N 4.700 124.684 120.400 -0.694 0.000 2.460 159 D HA 0.624 5.240 4.640 -0.040 0.000 0.232 159 D C -0.194 175.845 176.300 -0.435 0.000 1.079 159 D CA -0.037 53.409 54.000 -0.924 0.000 0.864 159 D CB 1.430 41.449 40.800 -1.302 0.000 1.048 159 D HN 0.635 nan 8.370 nan 0.000 0.523 160 A N 4.065 126.701 122.820 -0.308 0.000 2.401 160 A HA 0.740 5.036 4.320 -0.040 0.000 0.310 160 A C -2.633 174.836 177.584 -0.192 0.000 1.075 160 A CA -1.570 50.331 52.037 -0.226 0.000 0.746 160 A CB 1.176 20.053 19.000 -0.205 0.000 1.277 160 A HN 0.405 nan 8.150 nan 0.000 0.425 161 P HA 0.083 nan 4.420 nan 0.000 0.267 161 P C 1.090 178.271 177.300 -0.197 0.000 1.200 161 P CA -0.324 62.681 63.100 -0.159 0.000 0.772 161 P CB 0.523 32.098 31.700 -0.208 0.000 0.855 162 L N 4.209 125.389 121.223 -0.072 0.000 2.013 162 L HA -0.264 4.052 4.340 -0.040 0.000 0.212 162 L C 2.313 179.102 176.870 -0.134 0.000 1.073 162 L CA 2.296 57.099 54.840 -0.061 0.000 0.753 162 L CB -1.332 40.755 42.059 0.045 0.000 0.890 162 L HN 0.607 nan 8.230 nan 0.000 0.432 163 H N -2.889 116.126 119.070 -0.092 0.000 2.387 163 H HA -0.102 4.430 4.556 -0.040 0.000 0.299 163 H C 1.860 177.102 175.328 -0.144 0.000 1.099 163 H CA 1.675 57.658 56.048 -0.108 0.000 1.315 163 H CB -1.113 28.612 29.762 -0.062 0.000 1.380 163 H HN 0.200 nan 8.280 nan 0.000 0.513 164 V N 0.542 120.067 119.914 -0.649 0.000 2.307 164 V HA -0.287 3.809 4.120 -0.040 0.000 0.245 164 V C 2.757 178.668 176.094 -0.304 0.000 1.045 164 V CA 1.634 63.663 62.300 -0.452 0.000 1.024 164 V CB -0.683 30.868 31.823 -0.453 0.000 0.651 164 V HN 0.731 nan 8.190 nan 0.000 0.449 165 C N -0.075 119.034 119.300 -0.318 0.000 2.413 165 C HA -0.162 4.274 4.460 -0.040 0.000 0.277 165 C C 2.650 177.304 174.990 -0.560 0.000 1.265 165 C CA 0.972 59.804 59.018 -0.311 0.000 1.752 165 C CB -1.074 26.544 27.740 -0.204 0.000 1.998 165 C HN 0.625 nan 8.230 nan 0.000 0.489 166 E N 0.217 119.956 120.200 -0.768 0.000 2.047 166 E HA -0.249 4.077 4.350 -0.040 0.000 0.191 166 E C 2.184 178.614 176.600 -0.284 0.000 0.987 166 E CA 0.947 56.888 56.400 -0.764 0.000 0.799 166 E CB -0.284 29.128 29.700 -0.478 0.000 0.752 166 E HN 0.624 nan 8.360 nan 0.000 0.449 167 Q N 1.007 120.689 119.800 -0.196 0.000 2.062 167 Q HA -0.243 4.073 4.340 -0.040 0.000 0.209 167 Q C 2.134 178.083 176.000 -0.085 0.000 0.996 167 Q CA 2.004 57.746 55.803 -0.101 0.000 0.859 167 Q CB 0.039 28.726 28.738 -0.085 0.000 0.920 167 Q HN 0.126 nan 8.270 nan 0.000 0.415 168 R N 0.272 120.709 120.500 -0.105 0.000 2.081 168 R HA -0.113 4.203 4.340 -0.040 0.000 0.235 168 R C 0.497 176.784 176.300 -0.021 0.000 1.131 168 R CA 0.831 56.894 56.100 -0.061 0.000 0.960 168 R CB -0.395 29.867 30.300 -0.064 0.000 0.856 168 R HN 0.277 nan 8.270 nan 0.000 0.436 169 D N 0.629 121.027 120.400 -0.004 0.000 2.903 169 D HA -0.139 4.476 4.640 -0.040 0.000 0.210 169 D C 0.605 176.952 176.300 0.079 0.000 1.263 169 D CA 0.227 54.291 54.000 0.107 0.000 0.661 169 D CB -0.320 40.538 40.800 0.097 0.000 0.936 169 D HN -0.034 nan 8.370 nan 0.000 0.392 170 V N 1.272 121.232 119.914 0.076 0.000 2.594 170 V HA -0.200 3.896 4.120 -0.040 0.000 0.253 170 V C 2.217 178.329 176.094 0.029 0.000 1.069 170 V CA 1.960 64.282 62.300 0.037 0.000 1.082 170 V CB -0.157 31.683 31.823 0.028 0.000 0.680 170 V HN 0.404 nan 8.190 nan 0.000 0.469 171 K N -1.266 119.159 120.400 0.042 0.000 2.438 171 K HA 0.357 4.653 4.320 -0.040 0.000 0.206 171 K C 1.270 177.867 176.600 -0.004 0.000 1.081 171 K CA 0.584 56.879 56.287 0.013 0.000 1.053 171 K CB 1.252 33.757 32.500 0.009 0.000 0.908 171 K HN 0.429 nan 8.250 nan 0.000 0.556 172 G N 1.547 110.355 108.800 0.014 0.000 2.162 172 G HA2 -0.260 3.676 3.960 -0.040 0.000 0.260 172 G HA3 -0.260 3.676 3.960 -0.040 0.000 0.260 172 G C 0.706 175.564 174.900 -0.070 0.000 0.976 172 G CA 0.046 45.141 45.100 -0.009 0.000 0.655 172 G HN 0.113 nan 8.290 nan 0.000 0.533 173 L N -0.769 120.380 121.223 -0.123 0.000 2.046 173 L HA 0.072 4.388 4.340 -0.040 0.000 0.208 173 L C 2.583 179.133 176.870 -0.534 0.000 1.077 173 L CA 2.064 56.663 54.840 -0.402 0.000 0.747 173 L CB -1.290 40.459 42.059 -0.517 0.000 0.896 173 L HN 0.450 nan 8.230 nan 0.000 0.432 174 Y N 0.560 120.736 120.300 -0.206 0.000 2.145 174 Y HA -0.288 4.238 4.550 -0.040 0.000 0.286 174 Y C 2.486 178.326 175.900 -0.099 0.000 1.145 174 Y CA 1.910 59.953 58.100 -0.094 0.000 1.148 174 Y CB -0.383 38.106 38.460 0.049 0.000 0.981 174 Y HN 0.282 nan 8.280 nan 0.000 0.507 175 K N 0.172 120.611 120.400 0.066 0.000 2.288 175 K HA -0.082 4.214 4.320 -0.040 0.000 0.201 175 K C 1.665 178.238 176.600 -0.045 0.000 1.048 175 K CA 1.363 57.661 56.287 0.018 0.000 0.956 175 K CB -0.086 32.425 32.500 0.018 0.000 0.746 175 K HN 0.057 nan 8.250 nan 0.000 0.461 176 K N 0.276 120.609 120.400 -0.112 0.000 2.296 176 K HA 0.103 4.398 4.320 -0.040 0.000 0.200 176 K C 1.928 178.414 176.600 -0.189 0.000 1.048 176 K CA 0.915 57.110 56.287 -0.153 0.000 0.966 176 K CB 0.073 32.455 32.500 -0.195 0.000 0.754 176 K HN 0.341 nan 8.250 nan 0.000 0.466 177 A N 0.531 123.206 122.820 -0.241 0.000 1.975 177 A HA -0.021 4.275 4.320 -0.040 0.000 0.215 177 A C 1.680 179.233 177.584 -0.052 0.000 1.170 177 A CA 0.664 52.588 52.037 -0.188 0.000 0.656 177 A CB -0.065 18.789 19.000 -0.243 0.000 0.821 177 A HN 0.032 nan 8.150 nan 0.000 0.449 178 R N 0.051 120.541 120.500 -0.016 0.000 2.200 178 R HA -0.011 4.305 4.340 -0.040 0.000 0.234 178 R C 1.694 177.993 176.300 -0.002 0.000 1.127 178 R CA 1.228 57.338 56.100 0.017 0.000 0.989 178 R CB -0.982 29.337 30.300 0.033 0.000 0.869 178 R HN 0.539 nan 8.270 nan 0.000 0.459 179 A N -1.067 121.738 122.820 -0.025 0.000 2.259 179 A HA 0.502 4.798 4.320 -0.040 0.000 0.213 179 A C 0.730 178.295 177.584 -0.032 0.000 1.209 179 A CA 0.686 52.708 52.037 -0.025 0.000 0.910 179 A CB 0.544 19.526 19.000 -0.030 0.000 0.946 179 A HN 0.367 nan 8.150 nan 0.000 0.497 186 T N 2.691 116.940 114.554 -0.508 0.000 2.940 186 T HA 0.456 4.782 4.350 -0.040 0.000 0.309 186 T C 1.096 175.636 174.700 -0.267 0.000 1.056 186 T CA 1.186 63.108 62.100 -0.297 0.000 1.137 186 T CB 1.042 69.780 68.868 -0.217 0.000 0.976 186 T HN 1.960 nan 8.240 nan 0.000 0.547 187 G N 3.040 111.823 108.800 -0.028 0.000 2.253 187 G HA2 -0.227 3.708 3.960 -0.040 0.000 0.251 187 G HA3 -0.227 3.708 3.960 -0.040 0.000 0.251 187 G C 0.638 175.615 174.900 0.129 0.000 0.998 187 G CA 0.495 45.639 45.100 0.073 0.000 0.621 187 G HN 0.763 nan 8.290 nan 0.000 0.524 188 I N -0.489 120.159 120.570 0.129 0.000 3.674 188 I HA 0.206 4.352 4.170 -0.040 0.000 0.248 188 I C 1.922 178.112 176.117 0.122 0.000 1.134 188 I CA 0.687 62.084 61.300 0.162 0.000 1.519 188 I CB -0.008 38.136 38.000 0.240 0.000 1.598 188 I HN 0.144 nan 8.210 nan 0.000 0.442 189 D N 0.928 121.401 120.400 0.123 0.000 2.366 189 D HA 0.041 4.656 4.640 -0.040 0.000 0.205 189 D C 0.256 176.613 176.300 0.094 0.000 1.022 189 D CA 0.474 54.533 54.000 0.098 0.000 0.868 189 D CB 0.650 41.505 40.800 0.093 0.000 0.953 189 D HN 0.298 nan 8.370 nan 0.000 0.514 190 S N -0.373 115.381 115.700 0.090 0.000 2.677 190 S HA 0.484 4.930 4.470 -0.040 0.000 0.304 190 S C -0.404 174.255 174.600 0.097 0.000 1.108 190 S CA -0.955 57.307 58.200 0.104 0.000 0.944 190 S CB 2.333 65.595 63.200 0.103 0.000 1.127 190 S HN 0.059 nan 8.310 nan 0.000 0.511 191 E N 0.061 120.347 120.200 0.144 0.000 2.248 191 E HA 0.311 4.637 4.350 -0.040 0.000 0.272 191 E C -1.657 174.993 176.600 0.083 0.000 1.008 191 E CA -0.523 55.959 56.400 0.135 0.000 0.856 191 E CB 1.323 31.120 29.700 0.162 0.000 1.120 191 E HN 0.624 nan 8.360 nan 0.000 0.397 192 Y N 1.372 121.666 120.300 -0.011 0.000 2.331 192 Y HA 0.179 4.705 4.550 -0.040 0.000 0.338 192 Y C -0.630 175.265 175.900 -0.009 0.000 0.992 192 Y CA -0.541 57.527 58.100 -0.053 0.000 1.121 192 Y CB 1.018 39.461 38.460 -0.028 0.000 1.184 192 Y HN 0.418 nan 8.280 nan 0.000 0.469 193 E N 6.128 125.977 120.200 -0.584 0.000 2.081 193 E HA 0.199 4.525 4.350 -0.040 0.000 0.276 193 E C -0.883 175.371 176.600 -0.576 0.000 0.950 193 E CA -0.773 55.408 56.400 -0.364 0.000 0.776 193 E CB 0.994 30.588 29.700 -0.177 0.000 1.094 193 E HN 0.528 nan 8.360 nan 0.000 0.402 194 K N 3.790 124.030 120.400 -0.267 0.000 2.448 194 K HA 0.089 4.385 4.320 -0.040 0.000 0.278 194 K C -2.247 174.135 176.600 -0.363 0.000 1.009 194 K CA -1.390 54.702 56.287 -0.324 0.000 0.995 194 K CB -0.051 32.383 32.500 -0.110 0.000 0.917 194 K HN 0.207 nan 8.250 nan 0.000 0.481 195 P HA -0.070 nan 4.420 nan 0.000 0.264 195 P C -0.312 176.911 177.300 -0.128 0.000 1.183 195 P CA 0.375 63.325 63.100 -0.250 0.000 0.763 195 P CB 0.580 32.155 31.700 -0.207 0.000 0.807 196 E N 2.013 122.173 120.200 -0.066 0.000 2.216 196 E HA 0.121 4.447 4.350 -0.040 0.000 0.192 196 E C 0.549 177.157 176.600 0.012 0.000 0.973 196 E CA 0.471 56.859 56.400 -0.021 0.000 0.851 196 E CB 0.222 29.908 29.700 -0.023 0.000 0.804 196 E HN 0.416 nan 8.360 nan 0.000 0.477 197 A N 2.385 125.216 122.820 0.018 0.000 3.308 197 A HA 0.268 4.563 4.320 -0.040 0.000 0.275 197 A C -2.508 175.119 177.584 0.071 0.000 0.950 197 A CA -1.091 50.972 52.037 0.044 0.000 0.987 197 A CB -0.034 18.985 19.000 0.031 0.000 1.146 197 A HN -0.028 nan 8.150 nan 0.000 0.488 198 P HA 0.230 nan 4.420 nan 0.000 0.272 198 P C 0.238 177.619 177.300 0.135 0.000 1.223 198 P CA 0.102 63.283 63.100 0.135 0.000 0.784 198 P CB 1.146 32.959 31.700 0.188 0.000 0.923 199 E N -0.034 120.259 120.200 0.155 0.000 2.204 199 E HA 0.011 4.337 4.350 -0.040 0.000 0.194 199 E C 0.285 176.951 176.600 0.110 0.000 0.989 199 E CA 1.032 57.523 56.400 0.152 0.000 0.824 199 E CB -0.162 29.679 29.700 0.236 0.000 0.756 199 E HN 0.229 nan 8.360 nan 0.000 0.477 200 L N -0.995 120.296 121.223 0.115 0.000 2.505 200 L HA 0.377 4.692 4.340 -0.040 0.000 0.259 200 L C -1.752 175.185 176.870 0.111 0.000 0.952 200 L CA -0.870 54.017 54.840 0.077 0.000 0.840 200 L CB 2.249 44.325 42.059 0.030 0.000 1.358 200 L HN -0.308 nan 8.230 nan 0.000 0.409 201 V N 5.121 125.079 119.914 0.073 0.000 2.409 201 V HA 0.519 4.615 4.120 -0.040 0.000 0.291 201 V C -0.430 175.633 176.094 -0.052 0.000 1.020 201 V CA -0.528 61.798 62.300 0.043 0.000 0.848 201 V CB 1.603 33.464 31.823 0.063 0.000 0.990 201 V HN 0.560 nan 8.190 nan 0.000 0.430 202 L N 5.451 126.604 121.223 -0.117 0.000 2.280 202 L HA 0.540 4.856 4.340 -0.040 0.000 0.287 202 L C 0.253 177.008 176.870 -0.192 0.000 1.023 202 L CA -0.608 54.154 54.840 -0.131 0.000 0.819 202 L CB 1.328 43.319 42.059 -0.114 0.000 1.212 202 L HN 0.449 nan 8.230 nan 0.000 0.420 203 K N 2.548 122.857 120.400 -0.152 0.000 2.180 203 K HA 0.132 4.428 4.320 -0.040 0.000 0.250 203 K C 1.222 177.740 176.600 -0.136 0.000 1.135 203 K CA -0.106 56.085 56.287 -0.159 0.000 1.037 203 K CB 0.836 33.268 32.500 -0.113 0.000 1.624 203 K HN 0.669 nan 8.250 nan 0.000 0.382 204 T N -2.680 111.781 114.554 -0.154 0.000 3.007 204 T HA -0.133 4.193 4.350 -0.040 0.000 0.270 204 T C 1.204 175.838 174.700 -0.111 0.000 1.107 204 T CA 0.979 63.004 62.100 -0.126 0.000 1.118 204 T CB 0.043 68.833 68.868 -0.130 0.000 0.889 204 T HN 0.234 nan 8.240 nan 0.000 0.506 205 D N 0.391 120.720 120.400 -0.119 0.000 2.340 205 D HA 0.141 4.757 4.640 -0.040 0.000 0.220 205 D C 1.185 177.439 176.300 -0.076 0.000 1.039 205 D CA 0.075 54.013 54.000 -0.103 0.000 0.866 205 D CB -0.086 40.640 40.800 -0.123 0.000 0.913 205 D HN 0.365 nan 8.370 nan 0.000 0.523 206 S N -0.868 114.788 115.700 -0.074 0.000 2.900 206 S HA 0.234 4.680 4.470 -0.040 0.000 0.253 206 S C -0.331 174.237 174.600 -0.053 0.000 1.029 206 S CA -0.444 57.722 58.200 -0.056 0.000 1.096 206 S CB 0.201 63.370 63.200 -0.052 0.000 1.067 206 S HN 0.506 nan 8.310 nan 0.000 0.610 207 C N 0.792 120.056 119.300 -0.060 0.000 3.288 207 C HA 0.851 5.287 4.460 -0.040 0.000 0.318 207 C C -1.305 173.651 174.990 -0.056 0.000 1.356 207 C CA -1.083 57.901 59.018 -0.056 0.000 1.359 207 C CB 1.048 28.751 27.740 -0.061 0.000 1.688 207 C HN 0.372 nan 8.230 nan 0.000 0.467 208 D N 0.746 121.116 120.400 -0.050 0.000 2.549 208 D HA 0.457 5.073 4.640 -0.040 0.000 0.270 208 D C 1.063 177.332 176.300 -0.052 0.000 1.181 208 D CA -0.657 53.314 54.000 -0.048 0.000 1.070 208 D CB 0.508 41.285 40.800 -0.037 0.000 1.154 208 D HN 0.337 nan 8.370 nan 0.000 0.602 209 V N 0.516 120.402 119.914 -0.048 0.000 2.407 209 V HA -0.251 3.845 4.120 -0.040 0.000 0.248 209 V C 2.011 178.075 176.094 -0.050 0.000 1.055 209 V CA 2.146 64.416 62.300 -0.050 0.000 1.049 209 V CB -1.240 30.557 31.823 -0.043 0.000 0.662 209 V HN 0.512 nan 8.190 nan 0.000 0.455 210 N N 0.136 118.813 118.700 -0.039 0.000 2.069 210 N HA -0.205 4.511 4.740 -0.040 0.000 0.191 210 N C 1.526 177.003 175.510 -0.055 0.000 1.031 210 N CA 1.515 54.543 53.050 -0.037 0.000 0.852 210 N CB -0.209 38.265 38.487 -0.021 0.000 1.018 210 N HN 0.486 nan 8.380 nan 0.000 0.423 211 D N 0.584 120.952 120.400 -0.054 0.000 2.123 211 D HA -0.121 4.495 4.640 -0.040 0.000 0.196 211 D C 2.039 178.292 176.300 -0.078 0.000 0.992 211 D CA 0.814 54.777 54.000 -0.062 0.000 0.833 211 D CB -0.580 40.187 40.800 -0.055 0.000 0.954 211 D HN 0.354 nan 8.370 nan 0.000 0.455 212 C N 0.271 119.523 119.300 -0.080 0.000 2.436 212 C HA -0.069 4.366 4.460 -0.040 0.000 0.277 212 C C 2.991 177.913 174.990 -0.113 0.000 1.241 212 C CA 0.179 59.142 59.018 -0.092 0.000 1.721 212 C CB -0.834 26.854 27.740 -0.088 0.000 2.043 212 C HN 0.170 nan 8.230 nan 0.000 0.472 213 V N 0.749 120.593 119.914 -0.117 0.000 2.407 213 V HA -0.265 3.831 4.120 -0.040 0.000 0.248 213 V C 2.480 178.433 176.094 -0.234 0.000 1.055 213 V CA 2.180 64.379 62.300 -0.168 0.000 1.049 213 V CB -0.899 30.841 31.823 -0.138 0.000 0.662 213 V HN 0.656 nan 8.190 nan 0.000 0.455 214 Q N -0.335 119.357 119.800 -0.179 0.000 2.079 214 Q HA -0.250 4.066 4.340 -0.040 0.000 0.200 214 Q C 2.303 178.200 176.000 -0.171 0.000 0.974 214 Q CA 1.755 57.448 55.803 -0.183 0.000 0.840 214 Q CB -0.082 28.588 28.738 -0.115 0.000 0.898 214 Q HN 0.688 nan 8.270 nan 0.000 0.430 215 Q N -0.481 119.237 119.800 -0.137 0.000 2.084 215 Q HA -0.132 4.184 4.340 -0.040 0.000 0.202 215 Q C 2.198 178.110 176.000 -0.147 0.000 0.978 215 Q CA 1.692 57.423 55.803 -0.120 0.000 0.844 215 Q CB 0.129 28.812 28.738 -0.092 0.000 0.898 215 Q HN 0.274 nan 8.270 nan 0.000 0.426 216 V N 0.080 119.891 119.914 -0.171 0.000 2.307 216 V HA -0.223 3.872 4.120 -0.040 0.000 0.245 216 V C 2.250 178.191 176.094 -0.255 0.000 1.045 216 V CA 1.398 63.579 62.300 -0.197 0.000 1.024 216 V CB -0.503 31.211 31.823 -0.182 0.000 0.651 216 V HN 0.177 nan 8.190 nan 0.000 0.449 217 V N 0.050 119.777 119.914 -0.312 0.000 2.332 217 V HA -0.303 3.793 4.120 -0.040 0.000 0.248 217 V C 2.445 178.391 176.094 -0.247 0.000 1.055 217 V CA 2.237 64.319 62.300 -0.363 0.000 1.038 217 V CB -0.722 30.721 31.823 -0.633 0.000 0.651 217 V HN 0.629 nan 8.190 nan 0.000 0.450 218 E N -0.300 119.779 120.200 -0.203 0.000 2.110 218 E HA -0.247 4.078 4.350 -0.040 0.000 0.193 218 E C 2.131 178.648 176.600 -0.138 0.000 0.988 218 E CA 1.357 57.671 56.400 -0.142 0.000 0.804 218 E CB -0.245 29.389 29.700 -0.110 0.000 0.745 218 E HN 0.456 nan 8.360 nan 0.000 0.458 219 L N 1.046 122.168 121.223 -0.169 0.000 2.017 219 L HA -0.174 4.142 4.340 -0.040 0.000 0.208 219 L C 2.037 178.744 176.870 -0.273 0.000 1.073 219 L CA 1.609 56.331 54.840 -0.197 0.000 0.745 219 L CB -0.322 41.596 42.059 -0.234 0.000 0.894 219 L HN 0.105 nan 8.230 nan 0.000 0.432 220 L N -1.072 119.956 121.223 -0.326 0.000 2.191 220 L HA -0.202 4.114 4.340 -0.040 0.000 0.212 220 L C 2.591 179.369 176.870 -0.153 0.000 1.103 220 L CA 1.135 55.785 54.840 -0.316 0.000 0.769 220 L CB -0.552 41.347 42.059 -0.266 0.000 0.908 220 L HN 0.444 nan 8.230 nan 0.000 0.438 221 Q N -0.037 119.688 119.800 -0.124 0.000 2.049 221 Q HA -0.194 4.122 4.340 -0.040 0.000 0.198 221 Q C 2.072 178.045 176.000 -0.045 0.000 0.971 221 Q CA 1.271 57.032 55.803 -0.069 0.000 0.833 221 Q CB -0.022 28.675 28.738 -0.069 0.000 0.896 221 Q HN 0.479 nan 8.270 nan 0.000 0.434 222 E N 0.259 120.427 120.200 -0.053 0.000 2.160 222 E HA -0.155 4.171 4.350 -0.040 0.000 0.195 222 E C 1.305 177.911 176.600 0.010 0.000 0.991 222 E CA 0.784 57.172 56.400 -0.020 0.000 0.810 222 E CB 0.178 29.865 29.700 -0.022 0.000 0.742 222 E HN 0.082 nan 8.360 nan 0.000 0.466 223 R N 0.784 121.288 120.500 0.007 0.000 2.426 223 R HA 0.033 4.349 4.340 -0.040 0.000 0.263 223 R C -0.498 175.858 176.300 0.094 0.000 0.961 223 R CA 0.160 56.312 56.100 0.085 0.000 1.086 223 R CB 0.020 30.427 30.300 0.178 0.000 1.186 223 R HN 0.143 nan 8.270 nan 0.000 0.537 224 D N 0.342 120.771 120.400 0.048 0.000 2.945 224 D HA -0.193 4.422 4.640 -0.040 0.000 0.225 224 D C 0.842 177.179 176.300 0.062 0.000 1.158 224 D CA 0.648 54.680 54.000 0.053 0.000 0.805 224 D CB -0.664 40.177 40.800 0.069 0.000 1.098 224 D HN 0.218 nan 8.370 nan 0.000 0.426 225 I N -0.413 120.184 120.570 0.045 0.000 2.628 225 I HA -0.004 4.142 4.170 -0.040 0.000 0.255 225 I C 1.344 177.469 176.117 0.013 0.000 1.119 225 I CA 0.830 62.155 61.300 0.042 0.000 1.448 225 I CB -0.072 37.957 38.000 0.047 0.000 1.133 225 I HN -0.143 nan 8.210 nan 0.000 0.438 226 V N 3.732 123.641 119.914 -0.008 0.000 2.370 226 V HA 0.304 4.400 4.120 -0.040 0.000 0.283 226 V C -2.223 173.870 176.094 -0.002 0.000 1.023 226 V CA -1.520 60.781 62.300 0.002 0.000 0.857 226 V CB 1.307 33.129 31.823 -0.002 0.000 0.985 226 V HN 0.069 nan 8.190 nan 0.000 0.443 227 P HA 0.159 nan 4.420 nan 0.000 0.272 227 P C -0.621 176.674 177.300 -0.009 0.000 1.223 227 P CA -0.172 62.929 63.100 0.002 0.000 0.784 227 P CB 0.584 32.288 31.700 0.007 0.000 0.923 228 V N 3.676 123.584 119.914 -0.011 0.000 2.368 228 V HA 0.128 4.224 4.120 -0.040 0.000 0.266 228 V C 0.306 176.390 176.094 -0.016 0.000 1.045 228 V CA -0.128 62.162 62.300 -0.017 0.000 0.899 228 V CB 0.333 32.146 31.823 -0.017 0.000 1.006 228 V HN 0.488 nan 8.190 nan 0.000 0.470 229 D N 3.210 123.601 120.400 -0.016 0.000 2.329 229 D HA 0.507 5.123 4.640 -0.040 0.000 0.246 229 D C 0.481 176.760 176.300 -0.035 0.000 1.111 229 D CA -0.035 53.955 54.000 -0.017 0.000 0.941 229 D CB 1.590 42.389 40.800 -0.001 0.000 1.169 229 D HN 0.668 nan 8.370 nan 0.000 0.441 230 A N 0.916 123.703 122.820 -0.056 0.000 2.498 230 A HA 0.378 4.673 4.320 -0.040 0.000 0.239 230 A C 0.376 177.883 177.584 -0.128 0.000 1.068 230 A CA 0.224 52.204 52.037 -0.096 0.000 0.766 230 A CB 0.252 19.179 19.000 -0.122 0.000 1.003 230 A HN 0.314 nan 8.150 nan 0.000 0.497 231 S N 0.293 115.903 115.700 -0.150 0.000 2.569 231 S HA 0.565 5.011 4.470 -0.040 0.000 0.280 231 S C -0.328 174.165 174.600 -0.179 0.000 1.111 231 S CA -0.512 57.614 58.200 -0.124 0.000 0.887 231 S CB 0.734 63.914 63.200 -0.033 0.000 1.095 231 S HN 0.524 nan 8.310 nan 0.000 0.476 232 Y N 1.115 121.423 120.300 0.013 0.000 2.471 232 Y HA 0.277 4.803 4.550 -0.040 0.000 0.286 232 Y C 1.219 177.120 175.900 0.001 0.000 1.188 232 Y CA -0.079 58.028 58.100 0.012 0.000 1.286 232 Y CB 0.263 38.728 38.460 0.009 0.000 1.072 232 Y HN 0.653 nan 8.280 nan 0.000 0.517 233 E N 1.386 121.654 120.200 0.113 0.000 2.417 233 E HA 0.051 4.376 4.350 -0.040 0.000 0.261 233 E C -0.290 176.335 176.600 0.040 0.000 1.000 233 E CA -0.314 56.123 56.400 0.063 0.000 0.919 233 E CB 0.692 30.413 29.700 0.036 0.000 0.955 233 E HN -0.069 nan 8.360 nan 0.000 0.455 234 V N 5.813 125.736 119.914 0.016 0.000 2.584 234 V HA -0.108 3.988 4.120 -0.040 0.000 0.303 234 V C 0.641 176.727 176.094 -0.013 0.000 1.035 234 V CA 0.933 63.224 62.300 -0.016 0.000 1.172 234 V CB 0.243 32.026 31.823 -0.067 0.000 0.896 234 V HN 0.589 nan 8.190 nan 0.000 0.486 235 K N 5.406 125.799 120.400 -0.011 0.000 2.527 235 K HA 0.334 4.629 4.320 -0.040 0.000 0.240 235 K C -0.125 176.462 176.600 -0.023 0.000 0.989 235 K CA -0.427 55.854 56.287 -0.010 0.000 0.985 235 K CB 0.751 33.249 32.500 -0.002 0.000 1.221 235 K HN 0.782 nan 8.250 nan 0.000 0.458 236 E N 3.449 123.638 120.200 -0.019 0.000 2.366 236 E HA 0.099 4.424 4.350 -0.040 0.000 0.266 236 E C 0.515 177.094 176.600 -0.035 0.000 1.051 236 E CA -0.180 56.206 56.400 -0.024 0.000 0.884 236 E CB 1.153 30.885 29.700 0.053 0.000 1.006 236 E HN 0.547 nan 8.360 nan 0.000 0.417 237 L N 1.984 123.142 121.223 -0.108 0.000 2.693 237 L HA 0.193 4.509 4.340 -0.040 0.000 0.235 237 L C 0.122 176.934 176.870 -0.097 0.000 1.127 237 L CA -0.266 54.509 54.840 -0.109 0.000 0.914 237 L CB -0.028 41.943 42.059 -0.148 0.000 1.193 237 L HN 0.525 nan 8.230 nan 0.000 0.502 238 Y N 0.478 120.767 120.300 -0.019 0.000 2.597 238 Y HA -0.003 4.523 4.550 -0.041 0.000 0.336 238 Y C 0.730 176.622 175.900 -0.014 0.000 1.216 238 Y CA -0.205 57.884 58.100 -0.019 0.000 1.463 238 Y CB 0.891 39.335 38.460 -0.026 0.000 1.303 238 Y HN -0.212 nan 8.280 nan 0.000 0.576 239 V N 6.007 126.034 119.914 0.187 0.000 2.686 239 V HA 0.189 4.284 4.120 -0.040 0.000 0.295 239 V C -2.122 174.018 176.094 0.077 0.000 1.055 239 V CA -2.068 60.291 62.300 0.098 0.000 1.050 239 V CB 0.803 32.670 31.823 0.075 0.000 0.984 239 V HN 0.576 nan 8.190 nan 0.000 0.482 240 P HA 0.090 nan 4.420 nan 0.000 0.266 240 P C 0.594 177.904 177.300 0.016 0.000 1.195 240 P CA -0.038 63.079 63.100 0.028 0.000 0.768 240 P CB 0.451 32.165 31.700 0.024 0.000 0.838 241 E N 3.632 123.829 120.200 -0.004 0.000 2.147 241 E HA -0.308 4.017 4.350 -0.040 0.000 0.199 241 E C 0.883 177.489 176.600 0.011 0.000 1.005 241 E CA 2.022 58.416 56.400 -0.009 0.000 0.810 241 E CB -1.243 28.444 29.700 -0.022 0.000 0.736 241 E HN 0.527 nan 8.360 nan 0.000 0.460 242 N N 0.955 119.665 118.700 0.016 0.000 2.494 242 N HA -0.095 4.621 4.740 -0.040 0.000 0.182 242 N C 1.047 176.578 175.510 0.035 0.000 1.076 242 N CA 0.675 53.740 53.050 0.025 0.000 0.908 242 N CB 0.029 38.527 38.487 0.018 0.000 0.967 242 N HN 0.059 nan 8.380 nan 0.000 0.449 243 K N -0.074 120.348 120.400 0.036 0.000 2.358 243 K HA 0.165 4.461 4.320 -0.040 0.000 0.197 243 K C 1.464 178.100 176.600 0.060 0.000 1.025 243 K CA -0.265 56.048 56.287 0.043 0.000 1.104 243 K CB 0.054 32.575 32.500 0.035 0.000 0.855 243 K HN 0.138 nan 8.250 nan 0.000 0.531 244 L N 0.832 122.092 121.223 0.061 0.000 2.017 244 L HA -0.159 4.157 4.340 -0.040 0.000 0.208 244 L C 2.284 179.222 176.870 0.113 0.000 1.073 244 L CA 1.987 56.865 54.840 0.064 0.000 0.745 244 L CB -0.525 41.551 42.059 0.029 0.000 0.894 244 L HN 0.340 nan 8.230 nan 0.000 0.432 245 H N -1.769 117.308 119.070 0.011 0.000 2.353 245 H HA -0.156 4.376 4.556 -0.040 0.000 0.300 245 H C 2.080 177.417 175.328 0.014 0.000 1.090 245 H CA 1.145 57.200 56.048 0.012 0.000 1.327 245 H CB 0.239 30.007 29.762 0.009 0.000 1.383 245 H HN 0.271 nan 8.280 nan 0.000 0.508 246 L N 0.781 122.082 121.223 0.130 0.000 2.046 246 L HA -0.111 4.205 4.340 -0.040 0.000 0.208 246 L C 2.676 179.581 176.870 0.057 0.000 1.077 246 L CA 1.819 56.685 54.840 0.043 0.000 0.747 246 L CB -1.472 40.601 42.059 0.023 0.000 0.896 246 L HN 0.398 nan 8.230 nan 0.000 0.432 247 A N -0.992 121.870 122.820 0.069 0.000 1.930 247 A HA -0.210 4.086 4.320 -0.040 0.000 0.217 247 A C 2.324 179.948 177.584 0.067 0.000 1.175 247 A CA 1.495 53.567 52.037 0.059 0.000 0.627 247 A CB -0.318 18.716 19.000 0.056 0.000 0.815 247 A HN 0.405 nan 8.150 nan 0.000 0.443 248 K N -0.862 119.593 120.400 0.091 0.000 2.057 248 K HA -0.081 4.215 4.320 -0.040 0.000 0.206 248 K C 2.098 178.753 176.600 0.092 0.000 1.050 248 K CA 1.681 58.023 56.287 0.092 0.000 0.935 248 K CB -0.426 32.135 32.500 0.102 0.000 0.715 248 K HN 0.432 nan 8.250 nan 0.000 0.439 249 T N 1.313 115.929 114.554 0.105 0.000 2.684 249 T HA -0.207 4.119 4.350 -0.040 0.000 0.267 249 T C 1.528 176.256 174.700 0.047 0.000 1.036 249 T CA 1.950 64.090 62.100 0.067 0.000 1.148 249 T CB -0.401 68.484 68.868 0.030 0.000 0.863 249 T HN 0.296 nan 8.240 nan 0.000 0.436 250 D N 1.170 121.596 120.400 0.043 0.000 2.123 250 D HA -0.059 4.557 4.640 -0.040 0.000 0.196 250 D C 2.218 178.544 176.300 0.044 0.000 0.992 250 D CA 1.343 55.365 54.000 0.037 0.000 0.833 250 D CB -0.418 40.402 40.800 0.033 0.000 0.954 250 D HN 0.363 nan 8.370 nan 0.000 0.455 251 A N 0.002 122.852 122.820 0.050 0.000 1.972 251 A HA -0.150 4.146 4.320 -0.040 0.000 0.219 251 A C 2.137 179.757 177.584 0.060 0.000 1.169 251 A CA 1.774 53.844 52.037 0.055 0.000 0.635 251 A CB -0.659 18.376 19.000 0.058 0.000 0.810 251 A HN 0.250 nan 8.150 nan 0.000 0.446 252 E N -0.048 120.186 120.200 0.056 0.000 2.204 252 E HA -0.122 4.204 4.350 -0.040 0.000 0.194 252 E C 2.010 178.639 176.600 0.049 0.000 0.989 252 E CA 1.668 58.100 56.400 0.053 0.000 0.824 252 E CB -0.377 29.353 29.700 0.050 0.000 0.756 252 E HN 0.707 nan 8.360 nan 0.000 0.477 253 T N -1.989 112.593 114.554 0.046 0.000 3.118 253 T HA 0.079 4.405 4.350 -0.040 0.000 0.260 253 T C 0.800 175.531 174.700 0.051 0.000 1.139 253 T CA 0.033 62.159 62.100 0.042 0.000 1.085 253 T CB -0.175 68.715 68.868 0.036 0.000 0.934 253 T HN -0.032 nan 8.240 nan 0.000 0.518 254 L N 1.485 122.747 121.223 0.066 0.000 2.375 254 L HA 0.511 4.827 4.340 -0.040 0.000 0.268 254 L C -2.032 174.897 176.870 0.097 0.000 1.058 254 L CA -2.851 52.042 54.840 0.088 0.000 0.803 254 L CB 0.441 42.564 42.059 0.108 0.000 1.212 254 L HN -0.048 nan 8.230 nan 0.000 0.451 255 P HA 0.197 nan 4.420 nan 0.000 0.270 255 P C -1.177 176.216 177.300 0.154 0.000 1.227 255 P CA -0.299 62.859 63.100 0.097 0.000 0.788 255 P CB 0.596 32.338 31.700 0.071 0.000 0.926 256 A N 1.163 124.046 122.820 0.106 0.000 2.454 256 A HA 0.701 4.997 4.320 -0.040 0.000 0.302 256 A C -1.609 176.024 177.584 0.083 0.000 1.079 256 A CA -0.605 51.517 52.037 0.143 0.000 0.731 256 A CB 1.116 20.179 19.000 0.105 0.000 1.299 256 A HN 0.491 nan 8.150 nan 0.000 0.413 257 L N 1.144 122.460 121.223 0.154 0.000 2.376 257 L HA 0.501 4.817 4.340 -0.040 0.000 0.275 257 L C -0.440 176.503 176.870 0.123 0.000 0.987 257 L CA -0.203 54.689 54.840 0.088 0.000 0.828 257 L CB 1.486 43.593 42.059 0.081 0.000 1.249 257 L HN 0.683 nan 8.230 nan 0.000 0.409 258 K N 6.328 126.778 120.400 0.083 0.000 2.322 258 K HA 0.491 4.787 4.320 -0.040 0.000 0.283 258 K C -0.420 176.248 176.600 0.114 0.000 1.042 258 K CA -0.135 56.214 56.287 0.103 0.000 0.958 258 K CB 0.833 33.379 32.500 0.075 0.000 0.984 258 K HN 0.678 nan 8.250 nan 0.000 0.473 259 I N -0.691 119.981 120.570 0.169 0.000 2.910 259 I HA 0.438 4.584 4.170 -0.040 0.000 0.310 259 I C -0.344 175.930 176.117 0.262 0.000 1.043 259 I CA -1.224 60.177 61.300 0.169 0.000 1.053 259 I CB 1.843 39.933 38.000 0.150 0.000 1.242 259 I HN 0.518 nan 8.210 nan 0.000 0.452 260 N N 1.955 120.778 118.700 0.204 0.000 2.491 260 N HA 0.280 4.996 4.740 -0.040 0.000 0.279 260 N C 0.314 175.955 175.510 0.218 0.000 1.236 260 N CA -0.775 52.428 53.050 0.255 0.000 0.982 260 N CB 0.844 39.421 38.487 0.150 0.000 1.194 260 N HN 0.800 nan 8.380 nan 0.000 0.582 261 K N -0.696 119.869 120.400 0.276 0.000 2.097 261 K HA -0.025 4.271 4.320 -0.040 0.000 0.205 261 K C 1.281 177.921 176.600 0.066 0.000 1.050 261 K CA 0.923 57.302 56.287 0.154 0.000 0.938 261 K CB -0.233 32.441 32.500 0.290 0.000 0.718 261 K HN 0.381 nan 8.250 nan 0.000 0.442 262 V N 2.102 122.065 119.914 0.081 0.000 2.343 262 V HA -0.255 3.841 4.120 -0.040 0.000 0.247 262 V C 1.682 177.870 176.094 0.156 0.000 1.051 262 V CA 2.038 64.375 62.300 0.062 0.000 1.036 262 V CB -0.489 31.326 31.823 -0.014 0.000 0.654 262 V HN 0.388 nan 8.190 nan 0.000 0.451 263 D N -0.396 120.117 120.400 0.187 0.000 2.117 263 D HA -0.213 4.403 4.640 -0.040 0.000 0.197 263 D C 2.029 178.476 176.300 0.244 0.000 0.987 263 D CA 1.492 55.654 54.000 0.271 0.000 0.829 263 D CB -0.240 40.645 40.800 0.141 0.000 0.961 263 D HN 0.387 nan 8.370 nan 0.000 0.460 264 M N 0.856 120.484 119.600 0.046 0.000 2.213 264 M HA -0.157 4.299 4.480 -0.040 0.000 0.263 264 M C 1.898 178.280 176.300 0.137 0.000 1.062 264 M CA 1.462 56.740 55.300 -0.037 0.000 1.105 264 M CB -0.148 32.139 32.600 -0.522 0.000 1.385 264 M HN -0.087 nan 8.290 nan 0.000 0.417 265 Q N -1.697 118.187 119.800 0.141 0.000 2.119 265 Q HA -0.178 4.138 4.340 -0.040 0.000 0.201 265 Q C 1.906 177.906 176.000 0.001 0.000 0.972 265 Q CA 2.088 57.932 55.803 0.067 0.000 0.847 265 Q CB -0.388 28.253 28.738 -0.161 0.000 0.903 265 Q HN 0.683 nan 8.270 nan 0.000 0.433 266 W N 0.022 121.399 121.300 0.128 0.000 2.358 266 W HA -0.198 4.438 4.660 -0.039 0.000 0.303 266 W C 2.151 178.705 176.519 0.059 0.000 1.208 266 W CA 0.450 57.870 57.345 0.126 0.000 1.274 266 W CB -0.284 29.313 29.460 0.229 0.000 1.138 266 W HN -0.069 nan 8.180 nan 0.000 0.515 267 V N 0.383 120.487 119.914 0.317 0.000 2.324 267 V HA -0.414 3.682 4.120 -0.040 0.000 0.250 267 V C 2.230 178.347 176.094 0.038 0.000 1.060 267 V CA 2.389 64.760 62.300 0.120 0.000 1.042 267 V CB -1.128 30.783 31.823 0.146 0.000 0.650 267 V HN 0.332 nan 8.190 nan 0.000 0.450 268 Q N -0.373 119.487 119.800 0.099 0.000 2.084 268 Q HA -0.177 4.139 4.340 -0.040 0.000 0.202 268 Q C 2.267 178.373 176.000 0.177 0.000 0.978 268 Q CA 2.135 58.005 55.803 0.112 0.000 0.844 268 Q CB -0.107 28.753 28.738 0.202 0.000 0.898 268 Q HN 0.513 nan 8.270 nan 0.000 0.426 269 V N 1.162 121.194 119.914 0.196 0.000 2.324 269 V HA -0.308 3.788 4.120 -0.040 0.000 0.250 269 V C 2.341 178.663 176.094 0.380 0.000 1.060 269 V CA 1.749 64.264 62.300 0.359 0.000 1.042 269 V CB -0.515 31.527 31.823 0.365 0.000 0.650 269 V HN 0.394 nan 8.190 nan 0.000 0.450 270 L N -0.359 120.959 121.223 0.158 0.000 2.044 270 L HA -0.080 4.236 4.340 -0.040 0.000 0.205 270 L C 2.747 179.571 176.870 -0.076 0.000 1.075 270 L CA 1.406 56.252 54.840 0.011 0.000 0.747 270 L CB -0.803 41.123 42.059 -0.221 0.000 0.903 270 L HN 0.333 nan 8.230 nan 0.000 0.435 271 A N 0.206 122.905 122.820 -0.201 0.000 1.892 271 A HA -0.262 4.034 4.320 -0.040 0.000 0.218 271 A C 2.084 179.432 177.584 -0.393 0.000 1.188 271 A CA 2.021 53.737 52.037 -0.535 0.000 0.631 271 A CB -0.557 17.845 19.000 -0.997 0.000 0.822 271 A HN 0.511 nan 8.150 nan 0.000 0.447 272 E N -1.936 118.199 120.200 -0.108 0.000 2.418 272 E HA 0.216 4.542 4.350 -0.040 0.000 0.197 272 E C 1.199 177.695 176.600 -0.173 0.000 1.026 272 E CA 0.354 56.740 56.400 -0.022 0.000 0.862 272 E CB -0.136 29.664 29.700 0.167 0.000 0.799 272 E HN 0.832 nan 8.360 nan 0.000 0.518 273 G N 0.338 109.086 108.800 -0.087 0.000 2.176 273 G HA2 -0.240 3.696 3.960 -0.040 0.000 0.232 273 G HA3 -0.240 3.696 3.960 -0.040 0.000 0.232 273 G C 0.442 175.327 174.900 -0.025 0.000 0.986 273 G CA 0.039 45.086 45.100 -0.088 0.000 0.643 273 G HN 0.317 nan 8.290 nan 0.000 0.522 274 W N 0.493 121.906 121.300 0.188 0.000 2.374 274 W HA 0.303 4.940 4.660 -0.039 0.000 0.288 274 W C 2.412 179.129 176.519 0.331 0.000 1.218 274 W CA 1.481 58.973 57.345 0.245 0.000 1.245 274 W CB -0.058 29.600 29.460 0.330 0.000 1.126 274 W HN 0.627 nan 8.180 nan 0.000 0.545 275 A N -0.159 123.017 122.820 0.593 0.000 2.462 275 A HA 0.221 4.517 4.320 -0.040 0.000 0.261 275 A C 0.521 178.275 177.584 0.284 0.000 1.323 275 A CA -0.054 52.297 52.037 0.523 0.000 0.913 275 A CB -0.862 18.383 19.000 0.408 0.000 1.028 275 A HN -0.080 nan 8.150 nan 0.000 0.511 276 T N 3.243 117.935 114.554 0.230 0.000 2.905 276 T HA 0.177 4.503 4.350 -0.040 0.000 0.299 276 T C -1.696 173.084 174.700 0.132 0.000 1.024 276 T CA 0.313 62.497 62.100 0.140 0.000 1.151 276 T CB 0.617 69.564 68.868 0.131 0.000 0.987 276 T HN 0.329 nan 8.240 nan 0.000 0.535 277 P HA 0.258 nan 4.420 nan 0.000 0.257 277 P C 0.015 177.319 177.300 0.007 0.000 1.737 277 P CA -0.239 62.865 63.100 0.006 0.000 1.130 277 P CB 0.060 31.733 31.700 -0.045 0.000 1.572 278 L N 1.014 122.253 121.223 0.028 0.000 2.514 278 L HA 0.040 4.356 4.340 -0.040 0.000 0.280 278 L C 1.555 178.413 176.870 -0.019 0.000 1.223 278 L CA 0.271 55.114 54.840 0.004 0.000 0.864 278 L CB 0.130 42.190 42.059 0.002 0.000 1.118 278 L HN 0.017 nan 8.230 nan 0.000 0.494 279 N N 1.670 120.354 118.700 -0.028 0.000 2.280 279 N HA 0.180 4.895 4.740 -0.040 0.000 0.192 279 N C 0.381 175.854 175.510 -0.062 0.000 1.109 279 N CA 0.477 53.504 53.050 -0.037 0.000 0.855 279 N CB 1.244 39.717 38.487 -0.023 0.000 0.974 279 N HN 0.822 nan 8.380 nan 0.000 0.482 280 G N -0.322 108.425 108.800 -0.088 0.000 2.344 280 G HA2 0.184 4.120 3.960 -0.040 0.000 0.282 280 G HA3 0.184 4.120 3.960 -0.040 0.000 0.282 280 G C -1.507 173.294 174.900 -0.165 0.000 1.281 280 G CA -1.006 44.006 45.100 -0.146 0.000 0.877 280 G HN -0.019 nan 8.290 nan 0.000 0.494 281 F N 1.408 121.331 119.950 -0.046 0.000 2.572 281 F HA 0.351 4.854 4.527 -0.041 0.000 0.370 281 F C 1.729 177.514 175.800 -0.026 0.000 1.103 281 F CA 0.281 58.246 58.000 -0.059 0.000 1.286 281 F CB 0.570 39.519 39.000 -0.084 0.000 1.105 281 F HN 0.143 nan 8.300 nan 0.000 0.583 282 M N 4.250 123.961 119.600 0.184 0.000 2.260 282 M HA 0.046 4.501 4.480 -0.040 0.000 0.348 282 M C 0.446 176.854 176.300 0.181 0.000 1.342 282 M CA 0.712 56.095 55.300 0.139 0.000 1.040 282 M CB 0.359 33.051 32.600 0.154 0.000 1.810 282 M HN 0.574 nan 8.290 nan 0.000 0.453 283 R N 1.506 122.043 120.500 0.060 0.000 2.649 283 R HA 0.042 4.358 4.340 -0.040 0.000 0.270 283 R C 1.206 177.253 176.300 -0.421 0.000 1.105 283 R CA -0.437 55.618 56.100 -0.075 0.000 1.193 283 R CB 0.432 30.692 30.300 -0.066 0.000 1.120 283 R HN 0.696 nan 8.270 nan 0.000 0.561 284 E N 1.466 121.053 120.200 -1.021 0.000 2.070 284 E HA -0.321 4.005 4.350 -0.040 0.000 0.197 284 E C 1.981 178.372 176.600 -0.348 0.000 1.004 284 E CA 1.627 57.313 56.400 -1.191 0.000 0.805 284 E CB 0.088 29.204 29.700 -0.974 0.000 0.744 284 E HN 0.413 nan 8.360 nan 0.000 0.451 285 R N 0.470 120.843 120.500 -0.211 0.000 2.091 285 R HA -0.194 4.122 4.340 -0.040 0.000 0.238 285 R C 2.058 178.348 176.300 -0.016 0.000 1.136 285 R CA 2.063 58.121 56.100 -0.071 0.000 0.959 285 R CB -0.093 30.178 30.300 -0.048 0.000 0.856 285 R HN 0.248 nan 8.270 nan 0.000 0.437 286 E N -0.739 119.451 120.200 -0.017 0.000 2.072 286 E HA -0.231 4.095 4.350 -0.040 0.000 0.191 286 E C 1.781 178.422 176.600 0.068 0.000 0.985 286 E CA 1.263 57.680 56.400 0.030 0.000 0.801 286 E CB -0.301 29.416 29.700 0.029 0.000 0.750 286 E HN 0.381 nan 8.360 nan 0.000 0.452 287 Y N 1.664 121.928 120.300 -0.060 0.000 2.128 287 Y HA -0.219 4.307 4.550 -0.041 0.000 0.284 287 Y C 1.921 177.802 175.900 -0.032 0.000 1.154 287 Y CA 1.436 59.525 58.100 -0.018 0.000 1.149 287 Y CB -0.265 38.244 38.460 0.083 0.000 0.976 287 Y HN -0.057 nan 8.280 nan 0.000 0.505 288 L N -0.228 120.987 121.223 -0.014 0.000 2.056 288 L HA -0.262 4.053 4.340 -0.040 0.000 0.207 288 L C 2.541 179.365 176.870 -0.076 0.000 1.078 288 L CA 1.621 56.426 54.840 -0.058 0.000 0.749 288 L CB -0.633 41.454 42.059 0.047 0.000 0.901 288 L HN 0.291 nan 8.230 nan 0.000 0.433 289 Q N -1.036 118.770 119.800 0.011 0.000 2.061 289 Q HA -0.280 4.036 4.340 -0.040 0.000 0.204 289 Q C 2.525 178.526 176.000 0.002 0.000 0.984 289 Q CA 2.000 57.879 55.803 0.127 0.000 0.846 289 Q CB -0.510 28.351 28.738 0.206 0.000 0.902 289 Q HN 0.630 nan 8.270 nan 0.000 0.421 290 C N 0.555 119.815 119.300 -0.067 0.000 2.413 290 C HA -0.140 4.296 4.460 -0.040 0.000 0.276 290 C C 2.488 177.332 174.990 -0.243 0.000 1.236 290 C CA 0.737 59.684 59.018 -0.117 0.000 1.735 290 C CB -1.002 26.665 27.740 -0.121 0.000 2.031 290 C HN 0.491 nan 8.230 nan 0.000 0.474 291 L N -0.509 120.472 121.223 -0.404 0.000 2.056 291 L HA -0.090 4.226 4.340 -0.040 0.000 0.207 291 L C 2.823 179.328 176.870 -0.608 0.000 1.078 291 L CA 1.520 56.029 54.840 -0.552 0.000 0.749 291 L CB -0.767 40.838 42.059 -0.757 0.000 0.901 291 L HN 0.515 nan 8.230 nan 0.000 0.433 292 H N -1.638 117.109 119.070 -0.538 0.000 2.465 292 H HA 0.062 4.594 4.556 -0.040 0.000 0.289 292 H C 1.608 176.563 175.328 -0.621 0.000 1.022 292 H CA 1.173 56.789 56.048 -0.719 0.000 1.340 292 H CB 0.348 29.372 29.762 -1.230 0.000 1.437 292 H HN 0.335 nan 8.280 nan 0.000 0.539 293 F N -0.180 119.789 119.950 0.031 0.000 2.746 293 F HA 0.149 4.652 4.527 -0.040 0.000 0.313 293 F C 0.259 176.045 175.800 -0.022 0.000 1.095 293 F CA -0.321 57.683 58.000 0.007 0.000 1.224 293 F CB 0.820 39.827 39.000 0.012 0.000 1.060 293 F HN -0.137 nan 8.300 nan 0.000 0.584 294 D N 0.012 120.447 120.400 0.058 0.000 3.079 294 D HA -0.182 4.433 4.640 -0.040 0.000 0.214 294 D C -0.775 175.562 176.300 0.061 0.000 1.145 294 D CA 0.616 54.625 54.000 0.015 0.000 0.958 294 D CB -1.499 39.301 40.800 0.000 0.000 1.117 294 D HN 0.220 nan 8.370 nan 0.000 0.416 295 C N -0.046 119.319 119.300 0.109 0.000 2.888 295 C HA 0.599 5.035 4.460 -0.040 0.000 0.308 295 C C 0.234 175.286 174.990 0.104 0.000 1.213 295 C CA -1.161 57.919 59.018 0.103 0.000 1.461 295 C CB 1.604 29.400 27.740 0.093 0.000 1.934 295 C HN 0.160 nan 8.230 nan 0.000 0.474 296 L N 2.469 123.732 121.223 0.066 0.000 2.375 296 L HA 0.445 4.761 4.340 -0.040 0.000 0.271 296 L C 0.449 177.331 176.870 0.021 0.000 1.107 296 L CA -0.132 54.736 54.840 0.047 0.000 0.806 296 L CB 0.578 42.650 42.059 0.021 0.000 1.146 296 L HN 0.704 nan 8.230 nan 0.000 0.447 297 L N -0.060 121.173 121.223 0.015 0.000 2.878 297 L HA 0.206 4.522 4.340 -0.040 0.000 0.253 297 L C -0.313 176.541 176.870 -0.026 0.000 1.135 297 L CA -0.149 54.681 54.840 -0.017 0.000 0.943 297 L CB 0.452 42.488 42.059 -0.038 0.000 1.307 297 L HN 0.554 nan 8.230 nan 0.000 0.545 298 D N 1.725 122.115 120.400 -0.016 0.000 2.338 298 D HA 0.369 4.985 4.640 -0.040 0.000 0.255 298 D C 1.192 177.476 176.300 -0.026 0.000 1.237 298 D CA 1.043 55.032 54.000 -0.018 0.000 0.883 298 D CB 1.155 41.949 40.800 -0.010 0.000 1.087 298 D HN 0.288 nan 8.370 nan 0.000 0.485 299 G N 1.551 110.336 108.800 -0.026 0.000 2.157 299 G HA2 0.092 4.028 3.960 -0.040 0.000 0.248 299 G HA3 0.092 4.028 3.960 -0.040 0.000 0.248 299 G C 0.580 175.457 174.900 -0.037 0.000 0.979 299 G CA 0.141 45.224 45.100 -0.028 0.000 0.650 299 G HN 1.185 nan 8.290 nan 0.000 0.529 300 G N -2.507 106.268 108.800 -0.042 0.000 2.335 300 G HA2 0.421 4.357 3.960 -0.040 0.000 0.592 300 G HA3 0.421 4.357 3.960 -0.040 0.000 0.592 300 G C -0.604 174.262 174.900 -0.057 0.000 1.442 300 G CA -0.026 45.045 45.100 -0.048 0.000 0.976 300 G HN 1.376 nan 8.290 nan 0.000 0.652 301 V N 2.064 121.950 119.914 -0.046 0.000 2.439 301 V HA 0.429 4.525 4.120 -0.040 0.000 0.271 301 V C 0.390 176.463 176.094 -0.034 0.000 1.040 301 V CA -0.284 61.999 62.300 -0.029 0.000 1.002 301 V CB 0.863 32.679 31.823 -0.012 0.000 1.000 301 V HN 0.557 nan 8.190 nan 0.000 0.477 302 I N 4.744 125.294 120.570 -0.033 0.000 2.436 302 I HA 0.307 4.453 4.170 -0.040 0.000 0.289 302 I C 0.209 176.390 176.117 0.107 0.000 1.010 302 I CA -0.558 60.712 61.300 -0.051 0.000 1.098 302 I CB 1.783 39.674 38.000 -0.183 0.000 1.266 302 I HN 0.589 nan 8.210 nan 0.000 0.434 303 N N 7.789 126.639 118.700 0.250 0.000 2.452 303 N HA 0.222 4.937 4.740 -0.040 0.000 0.266 303 N C -1.260 174.377 175.510 0.212 0.000 1.175 303 N CA 0.322 53.488 53.050 0.192 0.000 0.945 303 N CB 0.820 39.407 38.487 0.166 0.000 1.063 303 N HN 0.571 nan 8.380 nan 0.000 0.472 304 L N 3.426 124.739 121.223 0.151 0.000 2.666 304 L HA 0.059 4.374 4.340 -0.040 0.000 0.258 304 L C 0.609 177.511 176.870 0.053 0.000 0.991 304 L CA -0.144 54.789 54.840 0.155 0.000 0.916 304 L CB 1.032 43.172 42.059 0.136 0.000 1.199 304 L HN 0.616 nan 8.230 nan 0.000 0.439 305 S N 1.387 117.110 115.700 0.038 0.000 2.540 305 S HA 0.171 4.617 4.470 -0.040 0.000 0.218 305 S C 0.253 174.748 174.600 -0.176 0.000 0.977 305 S CA 0.100 58.264 58.200 -0.059 0.000 0.918 305 S CB 0.394 63.571 63.200 -0.039 0.000 0.806 305 S HN 0.346 nan 8.310 nan 0.000 0.496 306 V N -1.212 118.561 119.914 -0.236 0.000 2.540 306 V HA 0.698 4.794 4.120 -0.040 0.000 0.302 306 V C -3.338 172.525 176.094 -0.385 0.000 1.035 306 V CA -3.002 59.064 62.300 -0.389 0.000 0.873 306 V CB 1.189 32.695 31.823 -0.529 0.000 0.992 306 V HN -0.123 nan 8.190 nan 0.000 0.428 307 P HA 0.324 nan 4.420 nan 0.000 0.265 307 P C -0.505 176.528 177.300 -0.446 0.000 1.193 307 P CA 0.423 63.407 63.100 -0.193 0.000 0.765 307 P CB 0.319 32.040 31.700 0.035 0.000 0.823 308 I N 4.108 124.463 120.570 -0.358 0.000 2.460 308 I HA 0.243 4.389 4.170 -0.040 0.000 0.277 308 I C 0.069 176.131 176.117 -0.091 0.000 1.057 308 I CA -0.746 60.259 61.300 -0.490 0.000 1.179 308 I CB 0.834 38.587 38.000 -0.411 0.000 1.329 308 I HN 0.097 nan 8.210 nan 0.000 0.478 309 V N 3.962 123.787 119.914 -0.148 0.000 3.040 309 V HA 0.619 4.715 4.120 -0.040 0.000 0.312 309 V C -1.041 174.790 176.094 -0.438 0.000 1.115 309 V CA -0.868 61.348 62.300 -0.140 0.000 0.998 309 V CB 2.813 34.458 31.823 -0.298 0.000 1.042 309 V HN 0.489 nan 8.190 nan 0.000 0.433 310 L N 2.896 123.683 121.223 -0.727 0.000 2.341 310 L HA 0.742 5.058 4.340 -0.040 0.000 0.278 310 L C 0.311 176.851 176.870 -0.550 0.000 1.005 310 L CA -0.056 54.268 54.840 -0.861 0.000 0.818 310 L CB 2.173 43.501 42.059 -1.218 0.000 1.259 310 L HN 1.185 nan 8.230 nan 0.000 0.418 311 T N 1.365 115.671 114.554 -0.414 0.000 2.944 311 T HA 0.889 5.215 4.350 -0.040 0.000 0.284 311 T C -0.385 174.210 174.700 -0.176 0.000 1.010 311 T CA -0.505 61.394 62.100 -0.336 0.000 1.025 311 T CB 2.233 70.926 68.868 -0.291 0.000 1.079 311 T HN 0.807 nan 8.240 nan 0.000 0.516 312 A N 1.197 123.970 122.820 -0.078 0.000 2.605 312 A HA 0.732 5.028 4.320 -0.040 0.000 0.294 312 A C 0.168 177.805 177.584 0.089 0.000 1.062 312 A CA -0.689 51.351 52.037 0.004 0.000 0.682 312 A CB 0.856 19.870 19.000 0.023 0.000 1.278 312 A HN 1.354 nan 8.150 nan 0.000 0.410 313 T N -1.351 113.247 114.554 0.075 0.000 2.816 313 T HA 0.416 4.742 4.350 -0.040 0.000 0.282 313 T C 1.036 175.825 174.700 0.149 0.000 0.993 313 T CA 0.480 62.661 62.100 0.134 0.000 0.994 313 T CB 0.239 69.167 68.868 0.101 0.000 1.025 313 T HN 0.607 nan 8.240 nan 0.000 0.529 314 H N 0.196 119.392 119.070 0.210 0.000 2.390 314 H HA -0.058 4.473 4.556 -0.040 0.000 0.298 314 H C 2.168 177.464 175.328 -0.053 0.000 1.106 314 H CA 2.346 58.467 56.048 0.120 0.000 1.297 314 H CB -0.135 29.724 29.762 0.162 0.000 1.375 314 H HN 0.726 nan 8.280 nan 0.000 0.509 315 E N 0.110 120.358 120.200 0.080 0.000 2.047 315 E HA -0.128 4.198 4.350 -0.040 0.000 0.191 315 E C 1.842 178.391 176.600 -0.084 0.000 0.987 315 E CA 1.278 57.672 56.400 -0.009 0.000 0.799 315 E CB -0.043 29.659 29.700 0.003 0.000 0.752 315 E HN 0.466 nan 8.360 nan 0.000 0.449 316 D N 0.151 120.502 120.400 -0.082 0.000 2.144 316 D HA -0.140 4.475 4.640 -0.040 0.000 0.200 316 D C 1.744 177.904 176.300 -0.233 0.000 0.978 316 D CA 0.764 54.683 54.000 -0.135 0.000 0.833 316 D CB -0.097 40.646 40.800 -0.095 0.000 0.961 316 D HN 0.084 nan 8.370 nan 0.000 0.470 317 K N 1.031 121.255 120.400 -0.294 0.000 2.063 317 K HA -0.187 4.108 4.320 -0.040 0.000 0.208 317 K C 1.752 177.946 176.600 -0.676 0.000 1.048 317 K CA 1.254 57.163 56.287 -0.630 0.000 0.928 317 K CB 0.076 32.001 32.500 -0.958 0.000 0.713 317 K HN 0.120 nan 8.250 nan 0.000 0.442 318 E N -0.230 119.712 120.200 -0.429 0.000 2.152 318 E HA -0.145 4.180 4.350 -0.040 0.000 0.192 318 E C 2.128 178.562 176.600 -0.278 0.000 0.983 318 E CA 0.557 56.754 56.400 -0.339 0.000 0.818 318 E CB 0.028 29.604 29.700 -0.208 0.000 0.758 318 E HN 0.236 nan 8.360 nan 0.000 0.467 319 R N 0.572 120.929 120.500 -0.239 0.000 2.092 319 R HA -0.081 4.235 4.340 -0.040 0.000 0.231 319 R C 1.740 177.908 176.300 -0.219 0.000 1.119 319 R CA 1.083 57.069 56.100 -0.189 0.000 0.970 319 R CB 0.108 30.317 30.300 -0.152 0.000 0.864 319 R HN 0.163 nan 8.270 nan 0.000 0.440 320 L N -0.357 120.678 121.223 -0.314 0.000 2.609 320 L HA 0.175 4.491 4.340 -0.040 0.000 0.230 320 L C 0.227 176.942 176.870 -0.258 0.000 1.087 320 L CA -0.458 54.227 54.840 -0.260 0.000 0.874 320 L CB 0.172 42.029 42.059 -0.337 0.000 1.114 320 L HN 0.072 nan 8.230 nan 0.000 0.488 321 D N 0.647 120.686 120.400 -0.602 0.000 2.425 321 D HA 0.290 4.905 4.640 -0.040 0.000 0.247 321 D C 1.127 177.295 176.300 -0.219 0.000 1.147 321 D CA 1.539 55.149 54.000 -0.650 0.000 0.879 321 D CB 1.228 41.498 40.800 -0.883 0.000 1.179 321 D HN 0.282 nan 8.370 nan 0.000 0.456 322 G N 2.372 111.144 108.800 -0.047 0.000 2.259 322 G HA2 -0.254 3.682 3.960 -0.040 0.000 0.217 322 G HA3 -0.254 3.682 3.960 -0.040 0.000 0.217 322 G C 0.727 175.658 174.900 0.052 0.000 1.001 322 G CA 0.093 45.192 45.100 -0.003 0.000 0.627 322 G HN 1.003 nan 8.290 nan 0.000 0.501 323 C N 1.924 121.278 119.300 0.089 0.000 2.605 323 C HA 0.748 5.183 4.460 -0.040 0.000 0.404 323 C C 2.193 177.283 174.990 0.166 0.000 1.284 323 C CA 0.964 60.056 59.018 0.125 0.000 2.199 323 C CB 0.736 28.561 27.740 0.141 0.000 2.647 323 C HN 1.012 nan 8.230 nan 0.000 0.604 324 T N 0.020 114.649 114.554 0.124 0.000 3.081 324 T HA 0.450 4.776 4.350 -0.040 0.000 0.255 324 T C 0.437 175.194 174.700 0.095 0.000 1.113 324 T CA 0.603 62.765 62.100 0.103 0.000 1.082 324 T CB -0.200 68.708 68.868 0.067 0.000 0.939 324 T HN 1.969 nan 8.240 nan 0.000 0.506 325 A N 0.830 123.728 122.820 0.129 0.000 2.582 325 A HA 0.624 4.920 4.320 -0.040 0.000 0.297 325 A C -1.385 176.308 177.584 0.181 0.000 1.059 325 A CA -1.328 50.752 52.037 0.072 0.000 0.705 325 A CB 0.652 19.666 19.000 0.024 0.000 1.279 325 A HN 0.609 nan 8.150 nan 0.000 0.404 326 F N -0.239 119.742 119.950 0.052 0.000 2.643 326 F HA 0.930 5.433 4.527 -0.041 0.000 0.314 326 F C -0.010 175.821 175.800 0.052 0.000 1.096 326 F CA -0.829 57.201 58.000 0.051 0.000 0.953 326 F CB 1.354 40.389 39.000 0.057 0.000 1.345 326 F HN 1.009 nan 8.300 nan 0.000 0.468 327 A N 2.404 125.370 122.820 0.243 0.000 2.303 327 A HA 0.747 5.043 4.320 -0.040 0.000 0.317 327 A C -0.932 176.792 177.584 0.233 0.000 1.149 327 A CA -0.816 51.308 52.037 0.144 0.000 0.822 327 A CB 0.686 19.762 19.000 0.127 0.000 1.131 327 A HN 0.824 nan 8.150 nan 0.000 0.493 328 L N 2.218 123.534 121.223 0.155 0.000 2.289 328 L HA 0.495 4.811 4.340 -0.040 0.000 0.285 328 L C 0.029 176.998 176.870 0.166 0.000 1.049 328 L CA -0.012 54.941 54.840 0.188 0.000 0.804 328 L CB 1.333 43.489 42.059 0.162 0.000 1.195 328 L HN 0.809 nan 8.230 nan 0.000 0.428 329 M N 4.119 123.824 119.600 0.174 0.000 2.243 329 M HA 0.373 4.829 4.480 -0.040 0.000 0.324 329 M C -1.892 174.542 176.300 0.222 0.000 1.031 329 M CA -0.584 54.813 55.300 0.161 0.000 0.949 329 M CB 1.706 34.376 32.600 0.117 0.000 1.615 329 M HN 0.483 nan 8.290 nan 0.000 0.430 330 Y N 3.870 124.211 120.300 0.069 0.000 2.350 330 Y HA 0.321 4.847 4.550 -0.041 0.000 0.338 330 Y C -0.276 175.658 175.900 0.056 0.000 0.961 330 Y CA -0.549 57.595 58.100 0.072 0.000 1.100 330 Y CB 1.101 39.606 38.460 0.075 0.000 1.179 330 Y HN 0.907 nan 8.280 nan 0.000 0.454 331 E N 4.006 123.951 120.200 -0.425 0.000 2.389 331 E HA -0.261 4.065 4.350 -0.040 0.000 0.243 331 E C 1.031 177.547 176.600 -0.141 0.000 1.154 331 E CA 0.861 57.040 56.400 -0.368 0.000 0.723 331 E CB -1.339 28.057 29.700 -0.506 0.000 1.261 331 E HN 1.254 nan 8.360 nan 0.000 0.390 332 G N 0.091 108.854 108.800 -0.062 0.000 2.196 332 G HA2 -0.400 3.536 3.960 -0.040 0.000 0.268 332 G HA3 -0.400 3.536 3.960 -0.040 0.000 0.268 332 G C 0.241 175.148 174.900 0.012 0.000 0.975 332 G CA 0.930 46.023 45.100 -0.012 0.000 0.648 332 G HN 0.325 nan 8.290 nan 0.000 0.538 333 R N -0.140 120.374 120.500 0.024 0.000 2.407 333 R HA 0.531 4.847 4.340 -0.040 0.000 0.303 333 R C 0.237 176.586 176.300 0.081 0.000 0.981 333 R CA -0.870 55.259 56.100 0.047 0.000 0.905 333 R CB 1.037 31.365 30.300 0.046 0.000 1.099 333 R HN 0.184 nan 8.270 nan 0.000 0.459 334 R N 1.736 122.280 120.500 0.074 0.000 2.242 334 R HA 0.034 4.350 4.340 -0.040 0.000 0.334 334 R C 1.191 177.543 176.300 0.086 0.000 1.071 334 R CA -0.138 56.013 56.100 0.086 0.000 0.922 334 R CB 0.663 31.009 30.300 0.076 0.000 1.023 334 R HN 0.537 nan 8.270 nan 0.000 0.458 335 V N -0.423 119.552 119.914 0.102 0.000 3.565 335 V HA 0.506 4.602 4.120 -0.040 0.000 0.260 335 V C 0.491 176.634 176.094 0.082 0.000 1.231 335 V CA 0.507 62.864 62.300 0.095 0.000 1.100 335 V CB 0.258 32.148 31.823 0.112 0.000 0.807 335 V HN 0.633 nan 8.190 nan 0.000 0.454 336 A N -0.164 122.701 122.820 0.075 0.000 2.608 336 A HA 0.799 5.095 4.320 -0.040 0.000 0.292 336 A C -1.384 176.212 177.584 0.020 0.000 1.066 336 A CA -0.600 51.465 52.037 0.047 0.000 0.676 336 A CB 1.255 20.285 19.000 0.049 0.000 1.277 336 A HN 0.240 nan 8.150 nan 0.000 0.413 337 I N 0.943 121.503 120.570 -0.017 0.000 2.404 337 I HA 0.427 4.573 4.170 -0.040 0.000 0.293 337 I C -0.953 175.073 176.117 -0.151 0.000 0.992 337 I CA -0.758 60.497 61.300 -0.074 0.000 1.149 337 I CB 1.774 39.751 38.000 -0.038 0.000 1.315 337 I HN 0.548 nan 8.210 nan 0.000 0.446 338 L N 7.512 128.527 121.223 -0.347 0.000 2.265 338 L HA 0.473 4.789 4.340 -0.040 0.000 0.289 338 L C -0.259 176.403 176.870 -0.347 0.000 1.033 338 L CA 0.029 54.627 54.840 -0.403 0.000 0.814 338 L CB 0.418 42.066 42.059 -0.685 0.000 1.203 338 L HN 0.498 nan 8.230 nan 0.000 0.423 339 R N 3.991 124.393 120.500 -0.163 0.000 2.540 339 R HA 0.402 4.717 4.340 -0.040 0.000 0.287 339 R C -0.183 176.094 176.300 -0.039 0.000 0.980 339 R CA -0.860 55.192 56.100 -0.080 0.000 0.966 339 R CB 0.913 31.188 30.300 -0.041 0.000 1.106 339 R HN 0.675 nan 8.270 nan 0.000 0.480 340 N N 1.099 119.803 118.700 0.007 0.000 2.688 340 N HA -0.117 4.599 4.740 -0.040 0.000 0.258 340 N C -2.480 173.055 175.510 0.043 0.000 1.016 340 N CA 0.534 53.607 53.050 0.038 0.000 0.747 340 N CB -1.092 37.411 38.487 0.027 0.000 0.895 340 N HN 0.457 nan 8.380 nan 0.000 0.543 341 P HA 0.141 nan 4.420 nan 0.000 0.274 341 P C -0.111 177.215 177.300 0.043 0.000 1.237 341 P CA 0.183 63.295 63.100 0.020 0.000 0.793 341 P CB 0.839 32.594 31.700 0.091 0.000 0.977 342 E N 0.755 120.928 120.200 -0.046 0.000 2.272 342 E HA 0.559 4.885 4.350 -0.040 0.000 0.269 342 E C -1.523 175.066 176.600 -0.018 0.000 0.877 342 E CA -0.795 55.661 56.400 0.093 0.000 0.755 342 E CB 1.087 30.877 29.700 0.151 0.000 1.192 342 E HN 0.126 nan 8.360 nan 0.000 0.422 343 F N 2.651 122.729 119.950 0.213 0.000 2.436 343 F HA 0.583 5.085 4.527 -0.040 0.000 0.340 343 F C -0.352 175.715 175.800 0.445 0.000 1.113 343 F CA -0.723 57.378 58.000 0.168 0.000 1.022 343 F CB 1.042 39.974 39.000 -0.115 0.000 1.128 343 F HN 0.511 nan 8.300 nan 0.000 0.466 344 F N -1.407 118.816 119.950 0.455 0.000 2.686 344 F HA 0.621 5.124 4.527 -0.040 0.000 0.311 344 F C -0.987 174.932 175.800 0.199 0.000 1.128 344 F CA -1.537 56.688 58.000 0.375 0.000 0.946 344 F CB 0.997 40.089 39.000 0.153 0.000 1.336 344 F HN 0.337 nan 8.300 nan 0.000 0.457 345 E N 0.625 120.837 120.200 0.020 0.000 2.360 345 E HA 0.011 4.337 4.350 -0.040 0.000 0.269 345 E C -0.930 175.557 176.600 -0.189 0.000 1.022 345 E CA -0.197 55.964 56.400 -0.398 0.000 0.887 345 E CB 0.523 30.011 29.700 -0.352 0.000 0.990 345 E HN 0.669 nan 8.360 nan 0.000 0.426 346 H N 4.481 123.296 119.070 -0.425 0.000 2.882 346 H HA 0.079 4.610 4.556 -0.041 0.000 0.258 346 H C -0.384 174.846 175.328 -0.164 0.000 1.579 346 H CA -0.927 54.956 56.048 -0.275 0.000 1.340 346 H CB 0.035 29.625 29.762 -0.286 0.000 1.645 346 H HN 0.175 nan 8.280 nan 0.000 0.541 347 R N 4.240 124.719 120.500 -0.034 0.000 2.605 347 R HA -0.018 4.298 4.340 -0.040 0.000 0.271 347 R C 0.775 176.991 176.300 -0.141 0.000 1.418 347 R CA -0.070 55.984 56.100 -0.077 0.000 1.102 347 R CB 0.079 30.390 30.300 0.018 0.000 1.131 347 R HN 0.665 nan 8.270 nan 0.000 0.554 348 K N 1.475 121.695 120.400 -0.300 0.000 2.025 348 K HA -0.193 4.103 4.320 -0.040 0.000 0.207 348 K C 1.803 178.318 176.600 -0.142 0.000 1.049 348 K CA 1.261 57.332 56.287 -0.360 0.000 0.933 348 K CB 0.113 32.374 32.500 -0.397 0.000 0.714 348 K HN 0.493 nan 8.250 nan 0.000 0.438 349 E N 1.348 121.488 120.200 -0.100 0.000 2.049 349 E HA -0.298 4.028 4.350 -0.040 0.000 0.198 349 E C 2.114 178.704 176.600 -0.018 0.000 1.007 349 E CA 1.621 57.992 56.400 -0.049 0.000 0.809 349 E CB 0.056 29.733 29.700 -0.039 0.000 0.749 349 E HN 0.302 nan 8.360 nan 0.000 0.450 350 E N 0.403 120.591 120.200 -0.019 0.000 2.077 350 E HA -0.248 4.078 4.350 -0.040 0.000 0.193 350 E C 2.352 178.945 176.600 -0.012 0.000 0.989 350 E CA 0.950 57.343 56.400 -0.012 0.000 0.800 350 E CB -0.117 29.577 29.700 -0.009 0.000 0.746 350 E HN 0.129 nan 8.360 nan 0.000 0.452 351 R N 0.143 120.656 120.500 0.021 0.000 2.080 351 R HA -0.175 4.141 4.340 -0.040 0.000 0.236 351 R C 2.406 178.782 176.300 0.127 0.000 1.137 351 R CA 1.991 58.128 56.100 0.063 0.000 0.943 351 R CB -0.638 29.785 30.300 0.204 0.000 0.846 351 R HN 0.338 nan 8.270 nan 0.000 0.431 352 C N 0.343 119.750 119.300 0.179 0.000 2.432 352 C HA -0.060 4.376 4.460 -0.040 0.000 0.277 352 C C 2.974 178.123 174.990 0.266 0.000 1.249 352 C CA 0.805 60.019 59.018 0.326 0.000 1.725 352 C CB -1.188 26.612 27.740 0.100 0.000 2.028 352 C HN 0.726 nan 8.230 nan 0.000 0.477 353 A N 0.790 123.678 122.820 0.113 0.000 1.892 353 A HA -0.253 4.043 4.320 -0.040 0.000 0.218 353 A C 2.229 179.849 177.584 0.059 0.000 1.188 353 A CA 1.891 53.976 52.037 0.080 0.000 0.631 353 A CB -0.586 18.434 19.000 0.035 0.000 0.822 353 A HN 0.703 nan 8.150 nan 0.000 0.447 354 R N -1.161 119.333 120.500 -0.010 0.000 2.115 354 R HA -0.109 4.206 4.340 -0.040 0.000 0.226 354 R C 2.512 178.743 176.300 -0.115 0.000 1.100 354 R CA 1.427 57.472 56.100 -0.092 0.000 0.980 354 R CB -0.253 29.919 30.300 -0.214 0.000 0.875 354 R HN 0.817 nan 8.270 nan 0.000 0.445 355 Q N -0.309 119.424 119.800 -0.112 0.000 2.123 355 Q HA -0.103 4.213 4.340 -0.040 0.000 0.196 355 Q C 1.259 177.030 176.000 -0.382 0.000 0.958 355 Q CA 0.961 56.562 55.803 -0.337 0.000 0.841 355 Q CB 0.297 28.715 28.738 -0.532 0.000 0.915 355 Q HN 0.406 nan 8.270 nan 0.000 0.455 356 W N -0.683 120.598 121.300 -0.032 0.000 3.013 356 W HA 0.313 4.949 4.660 -0.040 0.000 0.280 356 W C 0.830 177.438 176.519 0.147 0.000 1.249 356 W CA 0.700 58.071 57.345 0.043 0.000 1.577 356 W CB 0.553 29.956 29.460 -0.094 0.000 1.057 356 W HN 0.440 nan 8.180 nan 0.000 0.613 357 G N 1.973 110.924 108.800 0.253 0.000 2.198 357 G HA2 -0.263 3.673 3.960 -0.040 0.000 0.260 357 G HA3 -0.263 3.673 3.960 -0.040 0.000 0.260 357 G C 0.029 175.019 174.900 0.149 0.000 1.025 357 G CA 1.145 46.367 45.100 0.203 0.000 0.769 357 G HN 0.232 nan 8.290 nan 0.000 0.507 358 T N -2.199 112.435 114.554 0.134 0.000 2.827 358 T HA 0.597 4.922 4.350 -0.040 0.000 0.328 358 T C 0.757 175.476 174.700 0.031 0.000 1.598 358 T CA 1.022 63.153 62.100 0.052 0.000 1.043 358 T CB 0.982 69.819 68.868 -0.051 0.000 1.447 358 T HN 1.046 nan 8.240 nan 0.000 0.491 359 T N -0.200 114.359 114.554 0.009 0.000 3.129 359 T HA 0.229 4.555 4.350 -0.040 0.000 0.267 359 T C 1.110 175.785 174.700 -0.043 0.000 1.018 359 T CA -0.181 61.906 62.100 -0.023 0.000 0.903 359 T CB -0.982 67.882 68.868 -0.006 0.000 1.067 359 T HN 0.749 nan 8.240 nan 0.000 0.549 360 C N 3.012 122.289 119.300 -0.038 0.000 2.519 360 C HA 0.162 4.598 4.460 -0.040 0.000 0.402 360 C C 2.005 176.977 174.990 -0.029 0.000 1.475 360 C CA 0.056 59.072 59.018 -0.005 0.000 1.504 360 C CB -1.038 26.696 27.740 -0.011 0.000 2.454 360 C HN 0.673 nan 8.230 nan 0.000 0.615 361 K N 3.309 123.701 120.400 -0.013 0.000 2.280 361 K HA -0.077 4.219 4.320 -0.040 0.000 0.202 361 K C 1.241 177.833 176.600 -0.013 0.000 1.047 361 K CA 1.223 57.494 56.287 -0.027 0.000 0.942 361 K CB 0.030 32.520 32.500 -0.016 0.000 0.739 361 K HN 0.727 nan 8.250 nan 0.000 0.457 362 N N 0.145 118.851 118.700 0.010 0.000 2.336 362 N HA -0.086 4.629 4.740 -0.040 0.000 0.189 362 N C -0.011 175.504 175.510 0.008 0.000 1.113 362 N CA 0.177 53.233 53.050 0.011 0.000 0.858 362 N CB 0.040 38.538 38.487 0.019 0.000 0.970 362 N HN 0.222 nan 8.380 nan 0.000 0.471 363 H N 3.364 122.374 119.070 -0.100 0.000 2.964 363 H HA 0.033 4.566 4.556 -0.039 0.000 0.328 363 H C -1.429 173.854 175.328 -0.075 0.000 1.030 363 H CA -0.792 55.186 56.048 -0.117 0.000 1.445 363 H CB 1.446 31.068 29.762 -0.234 0.000 1.449 363 H HN 0.038 nan 8.280 nan 0.000 0.581 364 P HA -0.161 nan 4.420 nan 0.000 0.221 364 P C 1.135 178.563 177.300 0.213 0.000 1.150 364 P CA 1.015 64.190 63.100 0.124 0.000 0.800 364 P CB 0.076 31.871 31.700 0.158 0.000 0.787 365 Y N 0.597 121.060 120.300 0.271 0.000 2.269 365 Y HA 0.041 4.567 4.550 -0.041 0.000 0.294 365 Y C 2.467 178.235 175.900 -0.220 0.000 1.120 365 Y CA 0.828 58.938 58.100 0.017 0.000 1.159 365 Y CB -0.798 37.890 38.460 0.380 0.000 1.024 365 Y HN -0.279 nan 8.280 nan 0.000 0.532 366 I N 0.252 120.687 120.570 -0.224 0.000 2.208 366 I HA -0.371 3.774 4.170 -0.040 0.000 0.245 366 I C 2.503 178.500 176.117 -0.200 0.000 1.097 366 I CA 1.741 62.773 61.300 -0.447 0.000 1.363 366 I CB -0.426 37.220 38.000 -0.590 0.000 1.051 366 I HN 0.149 nan 8.210 nan 0.000 0.413 367 K N 1.033 121.364 120.400 -0.115 0.000 2.063 367 K HA -0.213 4.083 4.320 -0.040 0.000 0.208 367 K C 2.225 178.748 176.600 -0.128 0.000 1.048 367 K CA 1.619 57.851 56.287 -0.091 0.000 0.928 367 K CB -0.046 32.429 32.500 -0.042 0.000 0.713 367 K HN 0.250 nan 8.250 nan 0.000 0.442 368 M N 0.143 119.612 119.600 -0.219 0.000 2.117 368 M HA -0.163 4.293 4.480 -0.040 0.000 0.262 368 M C 2.159 178.347 176.300 -0.187 0.000 1.065 368 M CA 1.225 56.360 55.300 -0.276 0.000 1.114 368 M CB -0.139 32.118 32.600 -0.571 0.000 1.361 368 M HN -0.007 nan 8.290 nan 0.000 0.408 369 V N 0.431 120.255 119.914 -0.150 0.000 2.343 369 V HA -0.271 3.825 4.120 -0.040 0.000 0.247 369 V C 2.492 178.575 176.094 -0.017 0.000 1.051 369 V CA 1.415 63.715 62.300 -0.001 0.000 1.036 369 V CB -0.567 31.319 31.823 0.104 0.000 0.654 369 V HN 0.484 nan 8.190 nan 0.000 0.451 370 M N -0.493 119.064 119.600 -0.072 0.000 2.358 370 M HA -0.120 4.336 4.480 -0.040 0.000 0.264 370 M C 1.921 178.192 176.300 -0.047 0.000 1.064 370 M CA 1.342 56.599 55.300 -0.072 0.000 1.093 370 M CB -1.111 31.443 32.600 -0.076 0.000 1.401 370 M HN 0.480 nan 8.290 nan 0.000 0.440 371 E N -0.303 119.871 120.200 -0.043 0.000 2.478 371 E HA -0.006 4.319 4.350 -0.040 0.000 0.194 371 E C 0.481 177.078 176.600 -0.005 0.000 1.045 371 E CA -0.037 56.347 56.400 -0.026 0.000 0.868 371 E CB 0.236 29.914 29.700 -0.035 0.000 0.885 371 E HN 0.602 nan 8.360 nan 0.000 0.505 372 Q N 0.194 120.002 119.800 0.014 0.000 2.407 372 Q HA 0.291 4.607 4.340 -0.040 0.000 0.214 372 Q C 0.604 176.645 176.000 0.069 0.000 1.043 372 Q CA -0.407 55.421 55.803 0.042 0.000 0.983 372 Q CB 0.557 29.336 28.738 0.068 0.000 1.211 372 Q HN 0.126 nan 8.270 nan 0.000 0.564 373 G N 0.041 108.881 108.800 0.067 0.000 2.699 373 G HA2 -0.071 3.865 3.960 -0.040 0.000 0.246 373 G HA3 -0.071 3.865 3.960 -0.040 0.000 0.246 373 G C -0.421 174.536 174.900 0.096 0.000 1.219 373 G CA -0.310 44.839 45.100 0.081 0.000 0.866 373 G HN 0.601 nan 8.290 nan 0.000 0.572 374 D N -0.647 119.750 120.400 -0.006 0.000 2.340 374 D HA 0.110 4.726 4.640 -0.040 0.000 0.220 374 D C -0.232 175.737 176.300 -0.553 0.000 1.039 374 D CA 0.289 54.151 54.000 -0.229 0.000 0.866 374 D CB 0.210 40.848 40.800 -0.270 0.000 0.913 374 D HN 0.376 nan 8.370 nan 0.000 0.523 375 W N 0.230 121.435 121.300 -0.159 0.000 2.706 375 W HA 0.555 5.191 4.660 -0.040 0.000 0.346 375 W C -0.378 175.899 176.519 -0.403 0.000 1.071 375 W CA -0.795 56.406 57.345 -0.239 0.000 1.206 375 W CB 1.141 30.494 29.460 -0.177 0.000 1.413 375 W HN -0.370 nan 8.180 nan 0.000 0.542 376 L N 3.196 124.151 121.223 -0.447 0.000 2.333 376 L HA 0.674 4.990 4.340 -0.040 0.000 0.269 376 L C -0.485 175.923 176.870 -0.771 0.000 1.010 376 L CA -1.174 53.171 54.840 -0.826 0.000 0.818 376 L CB 1.539 42.720 42.059 -1.463 0.000 1.306 376 L HN 0.246 nan 8.230 nan 0.000 0.430 377 I N 1.044 121.258 120.570 -0.592 0.000 2.439 377 I HA 0.476 4.621 4.170 -0.040 0.000 0.285 377 I C 0.216 176.206 176.117 -0.212 0.000 1.021 377 I CA -0.364 60.640 61.300 -0.494 0.000 1.091 377 I CB 1.888 39.603 38.000 -0.476 0.000 1.242 377 I HN 0.622 nan 8.210 nan 0.000 0.439 378 G N 3.266 112.083 108.800 0.027 0.000 2.471 378 G HA2 0.875 4.811 3.960 -0.040 0.000 0.332 378 G HA3 0.875 4.811 3.960 -0.040 0.000 0.332 378 G C -0.401 174.525 174.900 0.044 0.000 1.176 378 G CA -0.628 44.560 45.100 0.147 0.000 0.949 378 G HN 0.922 nan 8.290 nan 0.000 0.488 379 G N -0.580 108.256 108.800 0.061 0.000 2.315 379 G HA2 0.396 4.332 3.960 -0.040 0.000 0.294 379 G HA3 0.396 4.332 3.960 -0.040 0.000 0.294 379 G C -1.956 172.946 174.900 0.003 0.000 1.300 379 G CA -0.808 44.298 45.100 0.009 0.000 0.843 379 G HN 0.499 nan 8.290 nan 0.000 0.527 380 D N 0.488 120.874 120.400 -0.024 0.000 2.274 380 D HA 0.448 5.064 4.640 -0.040 0.000 0.239 380 D C -0.530 175.740 176.300 -0.051 0.000 1.104 380 D CA -0.091 53.890 54.000 -0.032 0.000 0.840 380 D CB 2.410 43.195 40.800 -0.025 0.000 1.100 380 D HN 0.256 nan 8.370 nan 0.000 0.477 381 L N 2.460 123.646 121.223 -0.061 0.000 2.282 381 L HA 0.230 4.545 4.340 -0.040 0.000 0.288 381 L C -0.369 176.460 176.870 -0.069 0.000 1.033 381 L CA -0.246 54.550 54.840 -0.073 0.000 0.807 381 L CB 1.364 43.352 42.059 -0.120 0.000 1.209 381 L HN 0.256 nan 8.230 nan 0.000 0.423 382 Q N 4.316 124.086 119.800 -0.050 0.000 2.357 382 Q HA 0.519 4.835 4.340 -0.040 0.000 0.266 382 Q C -1.660 174.334 176.000 -0.009 0.000 1.021 382 Q CA -0.688 55.100 55.803 -0.025 0.000 0.784 382 Q CB 1.565 30.299 28.738 -0.006 0.000 1.243 382 Q HN 0.569 nan 8.270 nan 0.000 0.465 383 V N 5.470 125.375 119.914 -0.015 0.000 2.567 383 V HA 0.261 4.357 4.120 -0.040 0.000 0.289 383 V C 0.814 177.002 176.094 0.158 0.000 1.049 383 V CA -0.270 62.040 62.300 0.017 0.000 0.969 383 V CB 1.358 33.092 31.823 -0.149 0.000 0.995 383 V HN 0.866 nan 8.190 nan 0.000 0.471 384 L N 1.627 122.940 121.223 0.149 0.000 2.452 384 L HA 0.348 4.663 4.340 -0.040 0.000 0.194 384 L C 0.235 177.181 176.870 0.127 0.000 1.251 384 L CA -0.372 54.541 54.840 0.122 0.000 2.559 384 L CB -0.062 42.045 42.059 0.080 0.000 2.362 384 L HN 0.579 nan 8.230 nan 0.000 1.086 385 D N 0.517 120.958 120.400 0.068 0.000 2.423 385 D HA 0.106 4.722 4.640 -0.040 0.000 0.238 385 D C 0.021 176.306 176.300 -0.025 0.000 1.142 385 D CA 0.046 54.048 54.000 0.003 0.000 0.884 385 D CB 0.333 41.135 40.800 0.003 0.000 1.199 385 D HN 0.091 nan 8.370 nan 0.000 0.438 386 R N 1.417 121.785 120.500 -0.221 0.000 2.538 386 R HA 0.067 4.383 4.340 -0.040 0.000 0.282 386 R C -0.963 175.170 176.300 -0.279 0.000 1.009 386 R CA -0.256 55.584 56.100 -0.434 0.000 1.063 386 R CB 0.259 30.201 30.300 -0.596 0.000 0.945 386 R HN 0.238 nan 8.270 nan 0.000 0.414 387 V N 6.615 126.416 119.914 -0.188 0.000 2.455 387 V HA 0.173 4.269 4.120 -0.040 0.000 0.273 387 V C -0.491 175.302 176.094 -0.501 0.000 1.045 387 V CA 0.288 62.428 62.300 -0.266 0.000 0.976 387 V CB 0.043 31.790 31.823 -0.127 0.000 0.993 387 V HN 0.642 nan 8.190 nan 0.000 0.475 388 Y N 2.193 122.319 120.300 -0.290 0.000 2.553 388 Y HA 0.375 4.900 4.550 -0.041 0.000 0.347 388 Y C -0.083 175.591 175.900 -0.377 0.000 1.019 388 Y CA -0.748 57.234 58.100 -0.196 0.000 1.032 388 Y CB 2.161 40.584 38.460 -0.063 0.000 1.284 388 Y HN 0.615 nan 8.280 nan 0.000 0.466 389 W N -0.015 121.435 121.300 0.251 0.000 2.975 389 W HA 0.185 4.822 4.660 -0.038 0.000 0.316 389 W C -0.063 176.528 176.519 0.120 0.000 1.131 389 W CA -0.237 57.205 57.345 0.163 0.000 1.624 389 W CB 0.467 30.000 29.460 0.122 0.000 1.038 389 W HN 0.495 nan 8.180 nan 0.000 0.571 390 N N 2.071 120.928 118.700 0.261 0.000 2.740 390 N HA -0.180 4.536 4.740 -0.040 0.000 0.248 390 N C -0.168 175.420 175.510 0.130 0.000 1.062 390 N CA 1.611 54.742 53.050 0.135 0.000 0.704 390 N CB -1.744 36.799 38.487 0.093 0.000 0.968 390 N HN 0.471 nan 8.380 nan 0.000 0.547 391 D N -1.993 118.496 120.400 0.150 0.000 2.513 391 D HA 0.291 4.907 4.640 -0.040 0.000 0.222 391 D C 1.258 177.593 176.300 0.058 0.000 1.210 391 D CA 0.471 54.532 54.000 0.103 0.000 0.825 391 D CB -0.068 40.803 40.800 0.118 0.000 1.037 391 D HN 0.396 nan 8.370 nan 0.000 0.506 392 G N 0.653 109.489 108.800 0.060 0.000 2.157 392 G HA2 -0.261 3.675 3.960 -0.040 0.000 0.248 392 G HA3 -0.261 3.675 3.960 -0.040 0.000 0.248 392 G C 0.610 175.557 174.900 0.079 0.000 0.979 392 G CA 0.423 45.546 45.100 0.037 0.000 0.650 392 G HN 0.416 nan 8.290 nan 0.000 0.529 393 L N 0.019 121.321 121.223 0.133 0.000 2.966 393 L HA 0.260 4.576 4.340 -0.040 0.000 0.262 393 L C 1.436 178.463 176.870 0.262 0.000 1.165 393 L CA -0.056 54.933 54.840 0.248 0.000 0.978 393 L CB 0.275 42.452 42.059 0.197 0.000 1.337 393 L HN -0.035 nan 8.230 nan 0.000 0.563 394 D N 1.205 121.727 120.400 0.204 0.000 2.265 394 D HA -0.193 4.423 4.640 -0.040 0.000 0.208 394 D C 2.173 178.578 176.300 0.174 0.000 0.977 394 D CA 1.033 55.187 54.000 0.256 0.000 0.871 394 D CB 0.158 41.097 40.800 0.232 0.000 0.925 394 D HN 0.490 nan 8.370 nan 0.000 0.485 395 Q N 0.031 119.841 119.800 0.017 0.000 2.291 395 Q HA -0.192 4.124 4.340 -0.040 0.000 0.206 395 Q C 1.254 177.174 176.000 -0.134 0.000 0.976 395 Q CA 1.115 56.844 55.803 -0.123 0.000 0.875 395 Q CB -0.718 27.835 28.738 -0.309 0.000 0.927 395 Q HN 0.430 nan 8.270 nan 0.000 0.450 396 Y N 0.945 121.308 120.300 0.105 0.000 2.500 396 Y HA 0.242 4.768 4.550 -0.040 0.000 0.270 396 Y C 0.897 176.897 175.900 0.167 0.000 1.134 396 Y CA -0.105 58.067 58.100 0.119 0.000 1.293 396 Y CB 0.438 38.957 38.460 0.099 0.000 1.063 396 Y HN -0.036 nan 8.280 nan 0.000 0.534 397 R N 1.341 122.039 120.500 0.329 0.000 3.701 397 R HA 0.170 4.486 4.340 -0.040 0.000 0.210 397 R C -1.127 175.357 176.300 0.306 0.000 1.598 397 R CA -0.282 56.012 56.100 0.323 0.000 1.427 397 R CB -0.304 30.198 30.300 0.336 0.000 1.339 397 R HN 0.012 nan 8.270 nan 0.000 0.720 398 L N 1.335 122.746 121.223 0.313 0.000 2.326 398 L HA 0.144 4.460 4.340 -0.040 0.000 0.278 398 L C 1.283 178.357 176.870 0.339 0.000 1.092 398 L CA 0.060 55.051 54.840 0.252 0.000 0.810 398 L CB 1.190 43.349 42.059 0.166 0.000 1.153 398 L HN 0.389 nan 8.230 nan 0.000 0.439 399 T N 0.475 115.151 114.554 0.202 0.000 2.813 399 T HA 0.252 4.578 4.350 -0.040 0.000 0.297 399 T C -1.831 172.798 174.700 -0.117 0.000 1.036 399 T CA -1.365 60.791 62.100 0.095 0.000 1.044 399 T CB 0.711 69.596 68.868 0.027 0.000 0.993 399 T HN 0.435 nan 8.240 nan 0.000 0.535 400 P HA -0.071 nan 4.420 nan 0.000 0.216 400 P C 1.637 178.798 177.300 -0.232 0.000 1.150 400 P CA 1.223 64.030 63.100 -0.489 0.000 0.843 400 P CB -0.205 31.062 31.700 -0.722 0.000 0.787 401 T N -0.686 113.760 114.554 -0.179 0.000 2.777 401 T HA -0.133 4.193 4.350 -0.040 0.000 0.266 401 T C 1.610 176.247 174.700 -0.106 0.000 1.040 401 T CA 1.271 63.305 62.100 -0.109 0.000 1.141 401 T CB -0.660 68.165 68.868 -0.072 0.000 0.868 401 T HN 0.309 nan 8.240 nan 0.000 0.444 402 E N 0.740 120.885 120.200 -0.092 0.000 2.077 402 E HA -0.062 4.264 4.350 -0.040 0.000 0.193 402 E C 2.199 178.685 176.600 -0.190 0.000 0.989 402 E CA 0.820 57.164 56.400 -0.092 0.000 0.800 402 E CB -0.285 29.397 29.700 -0.030 0.000 0.746 402 E HN 0.400 nan 8.360 nan 0.000 0.452 403 L N 0.879 121.958 121.223 -0.240 0.000 2.017 403 L HA -0.217 4.099 4.340 -0.040 0.000 0.208 403 L C 2.373 178.766 176.870 -0.795 0.000 1.073 403 L CA 1.347 55.865 54.840 -0.536 0.000 0.745 403 L CB -0.268 41.583 42.059 -0.347 0.000 0.894 403 L HN 0.034 nan 8.230 nan 0.000 0.432 404 K N -0.606 119.599 120.400 -0.325 0.000 2.097 404 K HA -0.242 4.054 4.320 -0.040 0.000 0.206 404 K C 2.153 178.687 176.600 -0.109 0.000 1.049 404 K CA 1.265 57.494 56.287 -0.097 0.000 0.933 404 K CB -0.103 32.398 32.500 0.001 0.000 0.717 404 K HN 0.103 nan 8.250 nan 0.000 0.442 405 Q N 1.759 121.476 119.800 -0.139 0.000 2.084 405 Q HA -0.197 4.119 4.340 -0.040 0.000 0.202 405 Q C 1.868 177.803 176.000 -0.107 0.000 0.978 405 Q CA 1.758 57.509 55.803 -0.088 0.000 0.844 405 Q CB -0.071 28.622 28.738 -0.074 0.000 0.898 405 Q HN -0.001 nan 8.270 nan 0.000 0.426 406 K N -0.435 119.829 120.400 -0.226 0.000 2.032 406 K HA -0.127 4.169 4.320 -0.040 0.000 0.209 406 K C 1.583 178.134 176.600 -0.083 0.000 1.048 406 K CA 1.618 57.780 56.287 -0.209 0.000 0.927 406 K CB -0.582 31.729 32.500 -0.314 0.000 0.712 406 K HN 0.240 nan 8.250 nan 0.000 0.441 407 F N 1.248 121.202 119.950 0.006 0.000 2.171 407 F HA -0.012 4.491 4.527 -0.041 0.000 0.300 407 F C 2.235 178.041 175.800 0.010 0.000 1.090 407 F CA 1.299 59.303 58.000 0.007 0.000 1.293 407 F CB -0.841 38.158 39.000 -0.001 0.000 1.013 407 F HN 0.138 nan 8.300 nan 0.000 0.486 408 K N 0.455 120.955 120.400 0.166 0.000 2.025 408 K HA -0.175 4.120 4.320 -0.040 0.000 0.207 408 K C 1.590 178.232 176.600 0.069 0.000 1.049 408 K CA 1.863 58.209 56.287 0.098 0.000 0.933 408 K CB -0.208 32.327 32.500 0.059 0.000 0.714 408 K HN 0.036 nan 8.250 nan 0.000 0.438 409 D N 0.516 120.945 120.400 0.048 0.000 2.178 409 D HA -0.144 4.471 4.640 -0.040 0.000 0.201 409 D C 1.642 177.972 176.300 0.050 0.000 0.980 409 D CA 1.260 55.281 54.000 0.034 0.000 0.842 409 D CB 0.011 40.818 40.800 0.012 0.000 0.948 409 D HN 0.338 nan 8.370 nan 0.000 0.472 410 M N -0.441 119.207 119.600 0.079 0.000 2.561 410 M HA 0.022 4.478 4.480 -0.040 0.000 0.238 410 M C 0.258 176.607 176.300 0.080 0.000 1.131 410 M CA 0.062 55.413 55.300 0.086 0.000 1.046 410 M CB -0.074 32.602 32.600 0.127 0.000 1.532 410 M HN -0.022 nan 8.290 nan 0.000 0.497 411 N N 1.300 120.047 118.700 0.079 0.000 2.727 411 N HA -0.147 4.569 4.740 -0.040 0.000 0.249 411 N C -0.419 175.135 175.510 0.073 0.000 1.048 411 N CA -0.025 53.067 53.050 0.069 0.000 0.714 411 N CB -0.133 38.385 38.487 0.052 0.000 0.959 411 N HN 0.423 nan 8.380 nan 0.000 0.544 412 A N 0.948 123.821 122.820 0.089 0.000 2.462 412 A HA 0.123 4.419 4.320 -0.040 0.000 0.243 412 A C 1.043 178.656 177.584 0.049 0.000 1.076 412 A CA 0.506 52.577 52.037 0.057 0.000 0.773 412 A CB 0.294 19.308 19.000 0.024 0.000 1.010 412 A HN 0.546 nan 8.150 nan 0.000 0.493 413 D N -0.206 120.227 120.400 0.054 0.000 2.433 413 D HA 0.452 5.068 4.640 -0.040 0.000 0.211 413 D C 0.022 176.357 176.300 0.058 0.000 1.114 413 D CA 0.702 54.765 54.000 0.104 0.000 0.837 413 D CB 0.190 41.103 40.800 0.189 0.000 0.984 413 D HN 0.752 nan 8.370 nan 0.000 0.505 414 A N -0.257 122.506 122.820 -0.096 0.000 2.566 414 A HA 0.594 4.890 4.320 -0.040 0.000 0.297 414 A C -1.699 175.759 177.584 -0.211 0.000 1.059 414 A CA -0.710 51.184 52.037 -0.238 0.000 0.691 414 A CB 1.833 20.461 19.000 -0.619 0.000 1.282 414 A HN 0.006 nan 8.150 nan 0.000 0.401 415 V N 2.201 121.990 119.914 -0.209 0.000 2.487 415 V HA 0.672 4.768 4.120 -0.040 0.000 0.298 415 V C 0.194 176.227 176.094 -0.102 0.000 1.028 415 V CA -0.234 61.876 62.300 -0.316 0.000 0.860 415 V CB 1.779 33.172 31.823 -0.716 0.000 0.991 415 V HN 1.178 nan 8.190 nan 0.000 0.427 416 S N 3.556 119.218 115.700 -0.063 0.000 2.509 416 S HA 0.933 5.378 4.470 -0.040 0.000 0.297 416 S C -0.295 174.303 174.600 -0.003 0.000 1.118 416 S CA -0.487 57.736 58.200 0.039 0.000 1.074 416 S CB 2.102 65.332 63.200 0.049 0.000 1.038 416 S HN 1.232 nan 8.310 nan 0.000 0.498 417 A N 1.845 124.669 122.820 0.008 0.000 2.374 417 A HA 0.830 5.126 4.320 -0.040 0.000 0.317 417 A C -1.374 176.153 177.584 -0.095 0.000 1.094 417 A CA -0.743 51.283 52.037 -0.018 0.000 0.765 417 A CB 0.927 19.940 19.000 0.020 0.000 1.268 417 A HN 0.928 nan 8.150 nan 0.000 0.438 418 F N 1.372 121.207 119.950 -0.191 0.000 2.553 418 F HA 0.485 4.988 4.527 -0.041 0.000 0.335 418 F C -0.033 175.657 175.800 -0.184 0.000 1.148 418 F CA -0.421 57.436 58.000 -0.238 0.000 0.963 418 F CB 1.983 40.876 39.000 -0.179 0.000 1.217 418 F HN 0.701 nan 8.300 nan 0.000 0.441 419 Q N 5.769 125.306 119.800 -0.437 0.000 2.261 419 Q HA 0.683 4.999 4.340 -0.040 0.000 0.252 419 Q C -2.029 173.824 176.000 -0.246 0.000 0.915 419 Q CA 0.073 55.694 55.803 -0.305 0.000 0.915 419 Q CB 1.303 29.835 28.738 -0.343 0.000 1.204 419 Q HN 0.806 nan 8.270 nan 0.000 0.421 420 L N 3.914 125.070 121.223 -0.112 0.000 2.409 420 L HA 0.596 4.912 4.340 -0.040 0.000 0.262 420 L C 0.345 177.188 176.870 -0.046 0.000 0.992 420 L CA -0.658 54.159 54.840 -0.038 0.000 0.817 420 L CB 2.297 44.349 42.059 -0.011 0.000 1.350 420 L HN 0.929 nan 8.230 nan 0.000 0.411 421 R N -0.160 120.337 120.500 -0.006 0.000 2.541 421 R HA 0.356 4.672 4.340 -0.040 0.000 0.332 421 R C -0.477 175.840 176.300 0.028 0.000 0.951 421 R CA -0.375 55.729 56.100 0.007 0.000 1.136 421 R CB 0.314 30.634 30.300 0.034 0.000 1.449 421 R HN 0.620 nan 8.270 nan 0.000 0.531 422 N N 0.975 119.693 118.700 0.030 0.000 2.545 422 N HA 0.450 5.166 4.740 -0.040 0.000 0.289 422 N C -2.947 172.579 175.510 0.027 0.000 1.279 422 N CA -2.110 50.963 53.050 0.038 0.000 0.824 422 N CB 1.775 40.325 38.487 0.105 0.000 1.395 422 N HN -0.154 nan 8.380 nan 0.000 0.526 423 P HA 0.013 nan 4.420 nan 0.000 0.267 423 P C -0.931 176.348 177.300 -0.035 0.000 1.200 423 P CA -0.071 63.084 63.100 0.092 0.000 0.772 423 P CB 0.556 32.317 31.700 0.102 0.000 0.855 424 V N 3.967 123.848 119.914 -0.056 0.000 2.389 424 V HA 0.148 4.244 4.120 -0.040 0.000 0.264 424 V C 0.575 176.638 176.094 -0.051 0.000 1.049 424 V CA -0.052 62.081 62.300 -0.278 0.000 0.932 424 V CB -0.656 30.940 31.823 -0.379 0.000 1.011 424 V HN 0.684 nan 8.190 nan 0.000 0.475 425 H N 3.548 122.708 119.070 0.150 0.000 2.530 425 H HA 0.484 5.015 4.556 -0.042 0.000 0.342 425 H C 0.623 175.832 175.328 -0.199 0.000 1.312 425 H CA -1.464 54.454 56.048 -0.216 0.000 1.376 425 H CB 0.300 29.627 29.762 -0.725 0.000 1.692 425 H HN 0.258 nan 8.280 nan 0.000 0.622 426 N N -0.533 118.116 118.700 -0.084 0.000 2.515 426 N HA 0.009 4.724 4.740 -0.040 0.000 0.185 426 N C 1.755 177.231 175.510 -0.056 0.000 1.109 426 N CA 0.860 53.862 53.050 -0.079 0.000 0.903 426 N CB -0.245 38.180 38.487 -0.103 0.000 0.969 426 N HN 0.854 nan 8.380 nan 0.000 0.450 427 G N 0.378 109.207 108.800 0.050 0.000 2.395 427 G HA2 -0.182 3.754 3.960 -0.040 0.000 0.214 427 G HA3 -0.182 3.754 3.960 -0.040 0.000 0.214 427 G C 1.251 176.123 174.900 -0.047 0.000 1.177 427 G CA 0.369 45.447 45.100 -0.035 0.000 0.794 427 G HN 0.384 nan 8.290 nan 0.000 0.532 428 H N 1.025 120.125 119.070 0.051 0.000 2.352 428 H HA -0.045 4.486 4.556 -0.041 0.000 0.299 428 H C 2.986 178.069 175.328 -0.408 0.000 1.097 428 H CA 1.326 57.230 56.048 -0.240 0.000 1.311 428 H CB -0.486 29.021 29.762 -0.425 0.000 1.377 428 H HN 0.384 nan 8.280 nan 0.000 0.504 429 A N 1.374 124.092 122.820 -0.170 0.000 1.978 429 A HA -0.137 4.159 4.320 -0.040 0.000 0.220 429 A C 2.527 179.982 177.584 -0.214 0.000 1.170 429 A CA 1.255 53.156 52.037 -0.227 0.000 0.636 429 A CB -0.707 18.195 19.000 -0.164 0.000 0.810 429 A HN 0.274 nan 8.150 nan 0.000 0.448 430 L N -0.751 120.356 121.223 -0.193 0.000 2.017 430 L HA -0.121 4.194 4.340 -0.040 0.000 0.208 430 L C 2.155 178.880 176.870 -0.241 0.000 1.073 430 L CA 1.725 56.441 54.840 -0.206 0.000 0.745 430 L CB -0.666 41.224 42.059 -0.281 0.000 0.894 430 L HN 0.269 nan 8.230 nan 0.000 0.432 431 L N -0.999 120.024 121.223 -0.332 0.000 2.042 431 L HA -0.234 4.082 4.340 -0.040 0.000 0.210 431 L C 2.517 179.133 176.870 -0.424 0.000 1.076 431 L CA 2.163 56.613 54.840 -0.650 0.000 0.749 431 L CB -0.763 41.018 42.059 -0.464 0.000 0.893 431 L HN 0.290 nan 8.230 nan 0.000 0.432 432 M N -1.716 117.701 119.600 -0.304 0.000 2.086 432 M HA -0.257 4.199 4.480 -0.040 0.000 0.261 432 M C 2.339 178.575 176.300 -0.107 0.000 1.067 432 M CA 1.683 56.858 55.300 -0.209 0.000 1.116 432 M CB -0.482 31.922 32.600 -0.328 0.000 1.348 432 M HN 0.257 nan 8.290 nan 0.000 0.407 433 Q N 0.244 119.970 119.800 -0.124 0.000 2.079 433 Q HA -0.173 4.143 4.340 -0.040 0.000 0.200 433 Q C 1.627 177.646 176.000 0.031 0.000 0.974 433 Q CA 1.302 57.067 55.803 -0.064 0.000 0.840 433 Q CB -0.116 28.569 28.738 -0.089 0.000 0.898 433 Q HN 0.422 nan 8.270 nan 0.000 0.430 434 D N -0.384 120.033 120.400 0.029 0.000 2.178 434 D HA -0.092 4.524 4.640 -0.040 0.000 0.202 434 D C 1.754 178.177 176.300 0.206 0.000 0.974 434 D CA 1.169 55.255 54.000 0.143 0.000 0.841 434 D CB -0.151 40.801 40.800 0.253 0.000 0.953 434 D HN 0.161 nan 8.370 nan 0.000 0.478 435 T N -0.800 113.870 114.554 0.193 0.000 2.746 435 T HA -0.181 4.145 4.350 -0.040 0.000 0.267 435 T C 1.719 176.454 174.700 0.060 0.000 1.039 435 T CA 1.401 63.611 62.100 0.184 0.000 1.142 435 T CB -0.352 68.622 68.868 0.177 0.000 0.866 435 T HN 0.337 nan 8.240 nan 0.000 0.444 436 H N 0.873 119.925 119.070 -0.030 0.000 2.353 436 H HA -0.007 4.525 4.556 -0.040 0.000 0.300 436 H C 2.316 177.624 175.328 -0.033 0.000 1.090 436 H CA 1.596 57.613 56.048 -0.053 0.000 1.327 436 H CB 0.054 29.788 29.762 -0.047 0.000 1.383 436 H HN 0.110 nan 8.280 nan 0.000 0.508 437 K N 0.171 120.649 120.400 0.131 0.000 2.032 437 K HA -0.153 4.143 4.320 -0.040 0.000 0.209 437 K C 2.424 179.027 176.600 0.004 0.000 1.048 437 K CA 1.851 58.181 56.287 0.071 0.000 0.927 437 K CB -0.038 32.516 32.500 0.091 0.000 0.712 437 K HN 0.460 nan 8.250 nan 0.000 0.441 438 Q N -0.089 119.715 119.800 0.006 0.000 2.124 438 Q HA -0.136 4.180 4.340 -0.040 0.000 0.202 438 Q C 2.070 178.021 176.000 -0.081 0.000 0.977 438 Q CA 1.348 57.135 55.803 -0.027 0.000 0.850 438 Q CB -0.099 28.626 28.738 -0.022 0.000 0.901 438 Q HN 0.295 nan 8.270 nan 0.000 0.429 439 L N 0.134 121.262 121.223 -0.157 0.000 2.056 439 L HA -0.177 4.139 4.340 -0.040 0.000 0.207 439 L C 2.286 179.142 176.870 -0.023 0.000 1.078 439 L CA 0.794 55.541 54.840 -0.155 0.000 0.749 439 L CB -0.407 41.433 42.059 -0.365 0.000 0.901 439 L HN 0.259 nan 8.230 nan 0.000 0.433 440 L N -0.178 120.974 121.223 -0.118 0.000 2.046 440 L HA -0.229 4.087 4.340 -0.040 0.000 0.208 440 L C 2.628 179.474 176.870 -0.040 0.000 1.077 440 L CA 1.339 56.131 54.840 -0.079 0.000 0.747 440 L CB -0.506 41.499 42.059 -0.091 0.000 0.896 440 L HN 0.273 nan 8.230 nan 0.000 0.432 441 E N 0.594 120.775 120.200 -0.032 0.000 2.110 441 E HA -0.204 4.122 4.350 -0.040 0.000 0.193 441 E C 2.251 178.830 176.600 -0.034 0.000 0.988 441 E CA 1.225 57.611 56.400 -0.025 0.000 0.804 441 E CB -0.014 29.678 29.700 -0.013 0.000 0.745 441 E HN 0.216 nan 8.360 nan 0.000 0.458 442 R N -1.108 119.376 120.500 -0.027 0.000 2.148 442 R HA -0.002 4.314 4.340 -0.040 0.000 0.227 442 R C 1.300 177.506 176.300 -0.158 0.000 1.103 442 R CA 1.061 57.131 56.100 -0.051 0.000 0.983 442 R CB 0.001 30.322 30.300 0.035 0.000 0.874 442 R HN 0.426 nan 8.270 nan 0.000 0.451 443 G N -0.941 107.766 108.800 -0.154 0.000 2.205 443 G HA2 -0.213 3.723 3.960 -0.040 0.000 0.180 443 G HA3 -0.213 3.723 3.960 -0.040 0.000 0.180 443 G C -0.288 174.461 174.900 -0.250 0.000 1.004 443 G CA -0.585 44.394 45.100 -0.201 0.000 0.670 443 G HN 0.182 nan 8.290 nan 0.000 0.496 444 Y N 1.076 121.339 120.300 -0.062 0.000 2.597 444 Y HA 0.462 4.988 4.550 -0.040 0.000 0.336 444 Y C 1.877 177.731 175.900 -0.077 0.000 1.216 444 Y CA 0.070 58.133 58.100 -0.062 0.000 1.463 444 Y CB 0.598 39.008 38.460 -0.082 0.000 1.303 444 Y HN -0.024 nan 8.280 nan 0.000 0.576 445 R N 1.551 122.103 120.500 0.087 0.000 2.225 445 R HA 0.182 4.497 4.340 -0.040 0.000 0.194 445 R C 0.010 176.330 176.300 0.034 0.000 0.957 445 R CA 0.398 56.518 56.100 0.034 0.000 1.042 445 R CB 0.276 30.591 30.300 0.026 0.000 1.004 445 R HN 0.659 nan 8.270 nan 0.000 0.509 446 R N 1.331 121.862 120.500 0.051 0.000 2.738 446 R HA 0.265 4.581 4.340 -0.040 0.000 0.280 446 R C -2.517 173.791 176.300 0.015 0.000 1.456 446 R CA -1.339 54.785 56.100 0.040 0.000 1.612 446 R CB 1.484 31.815 30.300 0.052 0.000 1.286 446 R HN -0.004 nan 8.270 nan 0.000 0.660 447 P HA 0.065 nan 4.420 nan 0.000 0.271 447 P C -0.235 177.058 177.300 -0.011 0.000 1.216 447 P CA -0.015 63.023 63.100 -0.104 0.000 0.771 447 P CB 1.676 33.219 31.700 -0.262 0.000 0.864 448 V N 4.645 124.532 119.914 -0.045 0.000 2.604 448 V HA 0.287 4.383 4.120 -0.040 0.000 0.305 448 V C 0.191 176.260 176.094 -0.041 0.000 1.043 448 V CA -0.889 61.406 62.300 -0.007 0.000 0.888 448 V CB 1.920 33.734 31.823 -0.014 0.000 0.995 448 V HN 0.427 nan 8.190 nan 0.000 0.429 449 L N 5.643 126.874 121.223 0.015 0.000 2.289 449 L HA 0.629 4.945 4.340 -0.040 0.000 0.285 449 L C -0.722 176.163 176.870 0.025 0.000 1.049 449 L CA -0.185 54.656 54.840 0.001 0.000 0.804 449 L CB 1.345 43.402 42.059 -0.003 0.000 1.195 449 L HN 0.622 nan 8.230 nan 0.000 0.428 450 L N 6.221 127.453 121.223 0.014 0.000 2.270 450 L HA 0.451 4.767 4.340 -0.040 0.000 0.286 450 L C -1.048 175.858 176.870 0.061 0.000 1.059 450 L CA -0.251 54.626 54.840 0.061 0.000 0.839 450 L CB 0.890 42.969 42.059 0.033 0.000 1.221 450 L HN 0.713 nan 8.230 nan 0.000 0.431 451 L N 5.666 126.927 121.223 0.064 0.000 2.283 451 L HA 0.364 4.680 4.340 -0.040 0.000 0.287 451 L C -0.905 176.051 176.870 0.144 0.000 1.073 451 L CA 0.303 55.172 54.840 0.049 0.000 0.822 451 L CB 0.104 42.131 42.059 -0.054 0.000 1.186 451 L HN 0.644 nan 8.230 nan 0.000 0.436 452 H N 5.876 124.952 119.070 0.011 0.000 2.380 452 H HA 0.444 4.976 4.556 -0.040 0.000 0.231 452 H C -2.614 172.702 175.328 -0.019 0.000 1.415 452 H CA -2.396 53.657 56.048 0.009 0.000 1.433 452 H CB 0.339 30.090 29.762 -0.017 0.000 1.544 452 H HN 0.437 nan 8.280 nan 0.000 0.503 453 P HA -0.045 nan 4.420 nan 0.000 0.266 453 P C 0.252 177.479 177.300 -0.123 0.000 1.195 453 P CA -0.186 62.900 63.100 -0.023 0.000 0.768 453 P CB 1.552 33.289 31.700 0.061 0.000 0.838 454 L N 2.474 123.623 121.223 -0.124 0.000 2.380 454 L HA 0.463 4.779 4.340 -0.040 0.000 0.273 454 L C 1.157 177.924 176.870 -0.172 0.000 1.138 454 L CA 0.380 55.136 54.840 -0.140 0.000 0.832 454 L CB 0.466 42.461 42.059 -0.106 0.000 1.124 454 L HN 0.565 nan 8.230 nan 0.000 0.454 455 G N 2.981 111.639 108.800 -0.235 0.000 3.342 455 G HA2 0.261 4.197 3.960 -0.040 0.000 0.252 455 G HA3 0.261 4.197 3.960 -0.040 0.000 0.252 455 G C 0.337 175.058 174.900 -0.299 0.000 1.011 455 G CA 0.357 45.311 45.100 -0.243 0.000 0.869 455 G HN 0.875 nan 8.290 nan 0.000 0.514 456 G N -0.523 108.092 108.800 -0.308 0.000 2.508 456 G HA2 0.361 4.297 3.960 -0.040 0.000 0.278 456 G HA3 0.361 4.297 3.960 -0.040 0.000 0.278 456 G C -0.343 174.489 174.900 -0.112 0.000 1.389 456 G CA -1.105 43.829 45.100 -0.277 0.000 1.050 456 G HN 0.236 nan 8.290 nan 0.000 0.522 457 W N 1.439 122.633 121.300 -0.177 0.000 2.409 457 W HA 0.325 4.963 4.660 -0.037 0.000 0.338 457 W C 0.641 177.198 176.519 0.064 0.000 1.273 457 W CA 0.837 58.158 57.345 -0.041 0.000 1.299 457 W CB 0.258 29.730 29.460 0.020 0.000 1.192 457 W HN 0.608 nan 8.180 nan 0.000 0.565 458 T N 3.489 117.597 114.554 -0.743 0.000 2.906 458 T HA 0.467 4.793 4.350 -0.040 0.000 0.295 458 T C -0.415 173.510 174.700 -1.293 0.000 1.075 458 T CA -1.380 60.314 62.100 -0.677 0.000 1.005 458 T CB 1.657 70.378 68.868 -0.245 0.000 1.136 458 T HN 0.578 nan 8.240 nan 0.000 0.498 459 K N 0.799 120.749 120.400 -0.750 0.000 2.180 459 K HA 0.227 4.523 4.320 -0.040 0.000 0.251 459 K C -0.145 176.246 176.600 -0.348 0.000 1.014 459 K CA -0.503 55.412 56.287 -0.620 0.000 0.913 459 K CB 0.343 32.569 32.500 -0.457 0.000 1.008 459 K HN 0.354 nan 8.250 nan 0.000 0.490 460 D N 1.221 121.503 120.400 -0.197 0.000 2.149 460 D HA -0.169 4.447 4.640 -0.040 0.000 0.198 460 D C 1.012 177.277 176.300 -0.060 0.000 0.990 460 D CA 1.615 55.556 54.000 -0.098 0.000 0.839 460 D CB -0.172 40.609 40.800 -0.032 0.000 0.948 460 D HN 0.753 nan 8.370 nan 0.000 0.460 461 D N -0.209 120.155 120.400 -0.060 0.000 2.328 461 D HA -0.028 4.588 4.640 -0.040 0.000 0.221 461 D C -0.059 176.250 176.300 0.015 0.000 1.072 461 D CA -0.181 53.817 54.000 -0.004 0.000 0.850 461 D CB -0.190 40.610 40.800 0.000 0.000 0.922 461 D HN -0.059 nan 8.370 nan 0.000 0.516 462 D N 0.262 120.643 120.400 -0.032 0.000 2.344 462 D HA 0.138 4.754 4.640 -0.040 0.000 0.244 462 D C 0.114 176.386 176.300 -0.046 0.000 1.134 462 D CA -0.555 53.435 54.000 -0.016 0.000 0.930 462 D CB 1.788 42.573 40.800 -0.025 0.000 1.175 462 D HN -0.185 nan 8.370 nan 0.000 0.437 463 V N 3.386 123.235 119.914 -0.108 0.000 2.521 463 V HA 0.136 4.232 4.120 -0.040 0.000 0.286 463 V C -1.896 174.042 176.094 -0.260 0.000 1.034 463 V CA -1.117 60.973 62.300 -0.351 0.000 1.045 463 V CB 0.539 32.075 31.823 -0.479 0.000 0.974 463 V HN 0.460 nan 8.190 nan 0.000 0.480 464 P HA 0.042 nan 4.420 nan 0.000 0.269 464 P C 0.735 177.962 177.300 -0.123 0.000 1.209 464 P CA -0.348 62.700 63.100 -0.085 0.000 0.776 464 P CB 0.590 32.333 31.700 0.071 0.000 0.876 465 L N 3.295 124.429 121.223 -0.149 0.000 2.021 465 L HA -0.233 4.083 4.340 -0.040 0.000 0.215 465 L C 2.099 178.839 176.870 -0.217 0.000 1.074 465 L CA 2.270 56.997 54.840 -0.188 0.000 0.760 465 L CB -1.170 40.779 42.059 -0.184 0.000 0.889 465 L HN 0.337 nan 8.230 nan 0.000 0.433 466 M N -1.370 118.100 119.600 -0.216 0.000 2.108 466 M HA -0.240 4.216 4.480 -0.040 0.000 0.261 466 M C 1.979 178.074 176.300 -0.341 0.000 1.066 466 M CA 1.934 57.055 55.300 -0.299 0.000 1.107 466 M CB -0.882 31.491 32.600 -0.378 0.000 1.356 466 M HN 0.374 nan 8.290 nan 0.000 0.406 467 W N 0.011 121.150 121.300 -0.268 0.000 2.388 467 W HA -0.060 4.587 4.660 -0.021 0.000 0.294 467 W C 2.452 178.738 176.519 -0.388 0.000 1.212 467 W CA 0.979 58.133 57.345 -0.320 0.000 1.271 467 W CB -0.310 28.874 29.460 -0.461 0.000 1.126 467 W HN 0.146 nan 8.180 nan 0.000 0.535 468 R N -0.519 119.843 120.500 -0.230 0.000 2.073 468 R HA -0.186 4.130 4.340 -0.040 0.000 0.234 468 R C 2.145 177.988 176.300 -0.761 0.000 1.134 468 R CA 1.518 57.320 56.100 -0.496 0.000 0.952 468 R CB -0.618 29.403 30.300 -0.466 0.000 0.850 468 R HN 0.144 nan 8.270 nan 0.000 0.433 469 M N 0.893 120.177 119.600 -0.526 0.000 2.117 469 M HA -0.134 4.322 4.480 -0.040 0.000 0.262 469 M C 1.923 178.052 176.300 -0.284 0.000 1.065 469 M CA 1.654 56.673 55.300 -0.468 0.000 1.114 469 M CB -0.744 31.601 32.600 -0.425 0.000 1.361 469 M HN 0.047 nan 8.290 nan 0.000 0.408 470 K N -0.212 120.063 120.400 -0.208 0.000 2.063 470 K HA -0.200 4.095 4.320 -0.040 0.000 0.208 470 K C 2.189 178.762 176.600 -0.046 0.000 1.048 470 K CA 1.171 57.401 56.287 -0.096 0.000 0.928 470 K CB -0.247 32.204 32.500 -0.083 0.000 0.713 470 K HN 0.323 nan 8.250 nan 0.000 0.442 471 Q N 0.538 120.291 119.800 -0.078 0.000 2.084 471 Q HA -0.192 4.124 4.340 -0.040 0.000 0.202 471 Q C 1.923 177.967 176.000 0.072 0.000 0.978 471 Q CA 1.722 57.518 55.803 -0.012 0.000 0.844 471 Q CB -0.061 28.651 28.738 -0.043 0.000 0.898 471 Q HN 0.469 nan 8.270 nan 0.000 0.426 472 H N 0.058 119.085 119.070 -0.072 0.000 2.353 472 H HA -0.033 4.499 4.556 -0.039 0.000 0.300 472 H C 1.948 177.245 175.328 -0.051 0.000 1.090 472 H CA 1.407 57.404 56.048 -0.085 0.000 1.327 472 H CB -0.710 28.975 29.762 -0.129 0.000 1.383 472 H HN 0.393 nan 8.280 nan 0.000 0.508 473 A N 1.061 123.932 122.820 0.085 0.000 1.908 473 A HA -0.140 4.156 4.320 -0.040 0.000 0.218 473 A C 2.668 180.285 177.584 0.055 0.000 1.181 473 A CA 2.042 54.120 52.037 0.068 0.000 0.627 473 A CB -0.960 18.079 19.000 0.064 0.000 0.818 473 A HN 0.464 nan 8.150 nan 0.000 0.445 474 A N -0.679 122.173 122.820 0.052 0.000 1.930 474 A HA 0.037 4.333 4.320 -0.040 0.000 0.217 474 A C 2.203 179.815 177.584 0.046 0.000 1.175 474 A CA 1.666 53.734 52.037 0.051 0.000 0.627 474 A CB -0.837 18.199 19.000 0.060 0.000 0.815 474 A HN 0.396 nan 8.150 nan 0.000 0.443 475 V N -0.005 119.935 119.914 0.043 0.000 2.343 475 V HA -0.248 3.848 4.120 -0.040 0.000 0.247 475 V C 2.524 178.615 176.094 -0.006 0.000 1.051 475 V CA 1.923 64.231 62.300 0.013 0.000 1.036 475 V CB -0.709 31.104 31.823 -0.016 0.000 0.654 475 V HN 0.564 nan 8.190 nan 0.000 0.451 476 L N -0.242 120.982 121.223 0.002 0.000 2.109 476 L HA -0.151 4.165 4.340 -0.040 0.000 0.207 476 L C 2.616 179.491 176.870 0.007 0.000 1.086 476 L CA 1.698 56.537 54.840 -0.003 0.000 0.760 476 L CB -0.479 41.589 42.059 0.014 0.000 0.910 476 L HN 0.425 nan 8.230 nan 0.000 0.437 477 E N 0.309 120.521 120.200 0.020 0.000 2.110 477 E HA -0.226 4.100 4.350 -0.040 0.000 0.193 477 E C 1.652 178.261 176.600 0.015 0.000 0.988 477 E CA 1.013 57.425 56.400 0.021 0.000 0.804 477 E CB 0.174 29.891 29.700 0.029 0.000 0.745 477 E HN 0.439 nan 8.360 nan 0.000 0.458 478 E N -0.645 119.564 120.200 0.015 0.000 2.482 478 E HA -0.032 4.294 4.350 -0.040 0.000 0.196 478 E C 1.111 177.709 176.600 -0.003 0.000 1.047 478 E CA 0.701 57.108 56.400 0.011 0.000 0.869 478 E CB 0.390 30.100 29.700 0.018 0.000 0.836 478 E HN 0.498 nan 8.360 nan 0.000 0.520 479 G N 1.169 109.962 108.800 -0.012 0.000 2.143 479 G HA2 -0.308 3.628 3.960 -0.040 0.000 0.248 479 G HA3 -0.308 3.628 3.960 -0.040 0.000 0.248 479 G C 1.130 176.004 174.900 -0.043 0.000 0.991 479 G CA 0.483 45.567 45.100 -0.026 0.000 0.689 479 G HN 0.260 nan 8.290 nan 0.000 0.522 480 V N -0.312 119.575 119.914 -0.045 0.000 2.427 480 V HA 0.108 4.204 4.120 -0.040 0.000 0.248 480 V C 1.645 177.680 176.094 -0.097 0.000 1.051 480 V CA 1.966 64.226 62.300 -0.066 0.000 1.048 480 V CB -0.217 31.568 31.823 -0.064 0.000 0.666 480 V HN 0.458 nan 8.190 nan 0.000 0.456 481 L N 0.283 121.447 121.223 -0.098 0.000 2.342 481 L HA 0.473 4.789 4.340 -0.040 0.000 0.271 481 L C -0.220 176.597 176.870 -0.089 0.000 1.008 481 L CA -0.576 54.193 54.840 -0.119 0.000 0.818 481 L CB 1.428 43.408 42.059 -0.132 0.000 1.296 481 L HN 0.040 nan 8.230 nan 0.000 0.427 482 N N 3.099 121.737 118.700 -0.103 0.000 2.408 482 N HA 0.199 4.915 4.740 -0.040 0.000 0.257 482 N C -1.922 173.566 175.510 -0.036 0.000 1.064 482 N CA -1.968 51.040 53.050 -0.070 0.000 0.952 482 N CB 1.475 39.906 38.487 -0.093 0.000 1.093 482 N HN 0.242 nan 8.380 nan 0.000 0.490 483 P HA -0.099 nan 4.420 nan 0.000 0.219 483 P C 0.594 177.906 177.300 0.020 0.000 1.146 483 P CA 1.102 64.208 63.100 0.010 0.000 0.808 483 P CB 0.437 32.147 31.700 0.017 0.000 0.779 484 E N -0.915 119.294 120.200 0.014 0.000 2.347 484 E HA -0.044 4.282 4.350 -0.040 0.000 0.196 484 E C 1.000 177.624 176.600 0.041 0.000 1.008 484 E CA 1.400 57.816 56.400 0.027 0.000 0.852 484 E CB -0.305 29.409 29.700 0.023 0.000 0.783 484 E HN 0.384 nan 8.360 nan 0.000 0.505 485 T N -2.110 112.464 114.554 0.034 0.000 3.252 485 T HA 0.212 4.538 4.350 -0.040 0.000 0.286 485 T C 0.219 174.950 174.700 0.052 0.000 1.013 485 T CA -0.466 61.668 62.100 0.056 0.000 0.914 485 T CB 0.474 69.388 68.868 0.078 0.000 1.131 485 T HN -0.251 nan 8.240 nan 0.000 0.529 486 T N 1.633 116.216 114.554 0.048 0.000 2.848 486 T HA 0.596 4.922 4.350 -0.040 0.000 0.285 486 T C -0.756 173.999 174.700 0.090 0.000 0.995 486 T CA -0.524 61.606 62.100 0.050 0.000 0.970 486 T CB 2.102 70.975 68.868 0.008 0.000 0.976 486 T HN 0.087 nan 8.240 nan 0.000 0.441 487 V N 3.796 123.787 119.914 0.128 0.000 2.370 487 V HA 0.412 4.508 4.120 -0.040 0.000 0.283 487 V C -0.072 176.108 176.094 0.144 0.000 1.023 487 V CA -0.708 61.685 62.300 0.155 0.000 0.857 487 V CB 1.520 33.482 31.823 0.233 0.000 0.985 487 V HN 0.727 nan 8.190 nan 0.000 0.443 488 V N 4.555 124.570 119.914 0.168 0.000 2.407 488 V HA 0.889 4.985 4.120 -0.040 0.000 0.278 488 V C 0.371 176.646 176.094 0.302 0.000 1.037 488 V CA -0.091 62.326 62.300 0.194 0.000 0.900 488 V CB 1.168 33.102 31.823 0.184 0.000 0.983 488 V HN 1.040 nan 8.190 nan 0.000 0.459 489 A N 5.309 128.309 122.820 0.301 0.000 2.606 489 A HA 0.877 5.173 4.320 -0.040 0.000 0.293 489 A C -1.216 176.602 177.584 0.389 0.000 1.082 489 A CA -0.611 51.663 52.037 0.395 0.000 0.685 489 A CB 1.410 20.632 19.000 0.370 0.000 1.284 489 A HN 0.685 nan 8.150 nan 0.000 0.408 490 I N 1.349 122.093 120.570 0.290 0.000 2.354 490 I HA 0.332 4.478 4.170 -0.040 0.000 0.292 490 I C -0.827 175.288 176.117 -0.004 0.000 0.989 490 I CA -0.377 60.971 61.300 0.080 0.000 1.188 490 I CB 1.394 39.425 38.000 0.051 0.000 1.342 490 I HN 0.636 nan 8.210 nan 0.000 0.457 491 F N 10.058 129.665 119.950 -0.572 0.000 2.424 491 F HA 0.435 4.938 4.527 -0.041 0.000 0.356 491 F C -1.691 173.780 175.800 -0.549 0.000 1.110 491 F CA -2.654 54.846 58.000 -0.833 0.000 1.161 491 F CB 0.905 39.216 39.000 -1.148 0.000 1.115 491 F HN 0.313 nan 8.300 nan 0.000 0.507 492 P HA -0.054 nan 4.420 nan 0.000 0.241 492 P C 0.350 177.187 177.300 -0.770 0.000 1.191 492 P CA 0.347 63.073 63.100 -0.623 0.000 0.771 492 P CB 0.106 31.639 31.700 -0.277 0.000 0.929 493 S N 1.589 116.509 115.700 -1.301 0.000 2.549 493 S HA 0.189 4.635 4.470 -0.040 0.000 0.286 493 S C -2.195 172.054 174.600 -0.585 0.000 1.314 493 S CA -1.024 56.615 58.200 -0.935 0.000 1.062 493 S CB -0.406 62.352 63.200 -0.737 0.000 0.865 493 S HN -0.031 nan 8.310 nan 0.000 0.498 494 P HA 0.033 nan 4.420 nan 0.000 0.265 494 P C -0.635 176.699 177.300 0.057 0.000 1.187 494 P CA 0.060 63.065 63.100 -0.159 0.000 0.766 494 P CB 0.326 31.925 31.700 -0.169 0.000 0.820 495 M N 3.870 123.623 119.600 0.255 0.000 2.144 495 M HA 0.287 4.743 4.480 -0.040 0.000 0.356 495 M C 0.613 177.132 176.300 0.364 0.000 1.217 495 M CA 0.507 55.907 55.300 0.167 0.000 1.087 495 M CB 0.684 33.206 32.600 -0.130 0.000 1.609 495 M HN 0.276 nan 8.290 nan 0.000 0.467 496 M N 3.028 122.728 119.600 0.167 0.000 2.516 496 M HA 0.189 4.644 4.480 -0.040 0.000 0.259 496 M C -0.678 176.093 176.300 0.786 0.000 1.146 496 M CA 0.306 55.767 55.300 0.268 0.000 1.122 496 M CB 0.309 32.839 32.600 -0.117 0.000 1.341 496 M HN 0.738 nan 8.290 nan 0.000 0.478 497 Y N -0.185 120.429 120.300 0.523 0.000 3.057 497 Y HA -0.245 4.281 4.550 -0.040 0.000 0.192 497 Y C 0.650 176.970 175.900 0.700 0.000 1.448 497 Y CA 0.250 58.689 58.100 0.565 0.000 1.065 497 Y CB -2.352 36.422 38.460 0.523 0.000 1.369 497 Y HN 0.343 nan 8.280 nan 0.000 0.460 498 A N -0.328 122.694 122.820 0.337 0.000 2.594 498 A HA 0.616 4.912 4.320 -0.040 0.000 0.287 498 A C 1.693 179.053 177.584 -0.373 0.000 1.227 498 A CA 0.641 52.686 52.037 0.013 0.000 0.952 498 A CB -0.385 18.229 19.000 -0.644 0.000 1.161 498 A HN 1.679 nan 8.150 nan 0.000 0.524 499 G N 1.173 109.781 108.800 -0.321 0.000 2.622 499 G HA2 -0.336 3.600 3.960 -0.040 0.000 0.307 499 G HA3 -0.336 3.600 3.960 -0.040 0.000 0.307 499 G C -0.890 173.742 174.900 -0.446 0.000 1.226 499 G CA 0.564 45.284 45.100 -0.634 0.000 0.997 499 G HN 0.303 nan 8.290 nan 0.000 0.551 500 P HA 0.030 nan 4.420 nan 0.000 0.222 500 P C 1.838 179.013 177.300 -0.208 0.000 1.147 500 P CA 2.395 65.364 63.100 -0.218 0.000 0.790 500 P CB -0.308 31.324 31.700 -0.114 0.000 0.780 501 T N -0.348 114.039 114.554 -0.278 0.000 2.770 501 T HA -0.139 4.187 4.350 -0.040 0.000 0.263 501 T C 1.781 176.346 174.700 -0.225 0.000 1.039 501 T CA 1.301 63.256 62.100 -0.241 0.000 1.142 501 T CB -0.569 68.117 68.868 -0.304 0.000 0.868 501 T HN 0.282 nan 8.240 nan 0.000 0.435 502 E N 0.400 120.431 120.200 -0.281 0.000 2.150 502 E HA -0.089 4.237 4.350 -0.040 0.000 0.193 502 E C 2.168 178.585 176.600 -0.305 0.000 0.985 502 E CA 0.544 56.781 56.400 -0.271 0.000 0.814 502 E CB -0.128 29.377 29.700 -0.325 0.000 0.752 502 E HN 0.212 nan 8.360 nan 0.000 0.466 503 V N 0.827 120.602 119.914 -0.232 0.000 2.490 503 V HA -0.271 3.825 4.120 -0.040 0.000 0.250 503 V C 1.934 177.939 176.094 -0.149 0.000 1.061 503 V CA 1.954 64.168 62.300 -0.144 0.000 1.064 503 V CB -0.228 31.573 31.823 -0.038 0.000 0.670 503 V HN 0.357 nan 8.190 nan 0.000 0.461 504 Q N -0.941 118.789 119.800 -0.117 0.000 2.084 504 Q HA -0.256 4.059 4.340 -0.040 0.000 0.202 504 Q C 2.082 178.067 176.000 -0.025 0.000 0.978 504 Q CA 2.281 58.030 55.803 -0.090 0.000 0.844 504 Q CB -0.377 28.335 28.738 -0.043 0.000 0.898 504 Q HN 0.905 nan 8.270 nan 0.000 0.426 505 W N 1.349 122.565 121.300 -0.140 0.000 2.355 505 W HA -0.233 4.402 4.660 -0.041 0.000 0.309 505 W C 1.435 177.976 176.519 0.037 0.000 1.206 505 W CA 1.671 58.999 57.345 -0.029 0.000 1.284 505 W CB -0.361 29.087 29.460 -0.021 0.000 1.145 505 W HN 0.335 nan 8.180 nan 0.000 0.502 506 H N -0.568 118.346 119.070 -0.260 0.000 2.352 506 H HA -0.267 4.265 4.556 -0.040 0.000 0.299 506 H C 2.655 177.651 175.328 -0.553 0.000 1.097 506 H CA 1.773 57.552 56.048 -0.448 0.000 1.311 506 H CB -0.451 29.215 29.762 -0.159 0.000 1.377 506 H HN 0.165 nan 8.280 nan 0.000 0.504 507 C N 1.647 120.613 119.300 -0.557 0.000 2.462 507 C HA -0.114 4.321 4.460 -0.040 0.000 0.278 507 C C 2.997 177.705 174.990 -0.470 0.000 1.253 507 C CA 1.277 59.723 59.018 -0.953 0.000 1.713 507 C CB -0.616 26.520 27.740 -1.007 0.000 2.049 507 C HN 0.626 nan 8.230 nan 0.000 0.477 508 R N 2.172 122.484 120.500 -0.314 0.000 2.120 508 R HA 0.073 4.389 4.340 -0.040 0.000 0.234 508 R C 2.034 178.227 176.300 -0.177 0.000 1.123 508 R CA 2.211 58.185 56.100 -0.209 0.000 0.975 508 R CB -1.184 29.098 30.300 -0.030 0.000 0.866 508 R HN 0.431 nan 8.270 nan 0.000 0.446 509 A N 0.947 123.598 122.820 -0.283 0.000 1.902 509 A HA -0.083 4.212 4.320 -0.040 0.000 0.217 509 A C 2.094 179.716 177.584 0.063 0.000 1.181 509 A CA 1.569 53.512 52.037 -0.156 0.000 0.623 509 A CB -0.333 18.320 19.000 -0.578 0.000 0.818 509 A HN 0.275 nan 8.150 nan 0.000 0.443 510 R N -1.135 119.311 120.500 -0.090 0.000 2.090 510 R HA 0.085 4.401 4.340 -0.040 0.000 0.228 510 R C 2.152 178.463 176.300 0.017 0.000 1.110 510 R CA 1.357 57.488 56.100 0.051 0.000 0.973 510 R CB -0.773 29.578 30.300 0.085 0.000 0.869 510 R HN 0.696 nan 8.270 nan 0.000 0.440 511 M N -0.028 119.519 119.600 -0.088 0.000 2.108 511 M HA -0.196 4.260 4.480 -0.040 0.000 0.261 511 M C 1.565 177.789 176.300 -0.125 0.000 1.066 511 M CA 1.663 56.870 55.300 -0.154 0.000 1.107 511 M CB -0.006 32.420 32.600 -0.290 0.000 1.356 511 M HN 0.002 nan 8.290 nan 0.000 0.406 512 V N 0.578 120.440 119.914 -0.086 0.000 2.407 512 V HA -0.231 3.865 4.120 -0.040 0.000 0.248 512 V C 2.345 178.412 176.094 -0.044 0.000 1.055 512 V CA 1.875 64.153 62.300 -0.036 0.000 1.049 512 V CB -1.203 30.640 31.823 0.032 0.000 0.662 512 V HN 0.649 nan 8.190 nan 0.000 0.455 513 A N -0.846 121.967 122.820 -0.011 0.000 2.238 513 A HA 0.411 4.707 4.320 -0.040 0.000 0.208 513 A C 1.806 179.482 177.584 0.153 0.000 1.177 513 A CA 0.991 53.034 52.037 0.010 0.000 0.804 513 A CB -0.444 18.623 19.000 0.111 0.000 0.823 513 A HN 1.201 nan 8.150 nan 0.000 0.482 514 G N -2.223 106.628 108.800 0.085 0.000 2.148 514 G HA2 0.153 4.088 3.960 -0.040 0.000 0.203 514 G HA3 0.153 4.088 3.960 -0.040 0.000 0.203 514 G C 0.350 175.227 174.900 -0.039 0.000 0.993 514 G CA 0.056 45.200 45.100 0.073 0.000 0.661 514 G HN 1.526 nan 8.290 nan 0.000 0.518 515 A N -0.215 122.573 122.820 -0.053 0.000 2.477 515 A HA 0.609 4.904 4.320 -0.040 0.000 0.246 515 A C 0.978 178.462 177.584 -0.167 0.000 1.078 515 A CA 1.010 52.974 52.037 -0.121 0.000 0.770 515 A CB 0.105 19.088 19.000 -0.029 0.000 1.011 515 A HN 0.528 nan 8.150 nan 0.000 0.494 516 N N -0.023 118.538 118.700 -0.231 0.000 2.322 516 N HA 0.274 4.990 4.740 -0.040 0.000 0.181 516 N C -1.018 173.995 175.510 -0.828 0.000 1.088 516 N CA 0.436 53.210 53.050 -0.461 0.000 0.885 516 N CB 0.379 38.568 38.487 -0.496 0.000 1.013 516 N HN 0.580 nan 8.380 nan 0.000 0.472 517 F N -0.308 119.591 119.950 -0.084 0.000 2.574 517 F HA 0.332 4.835 4.527 -0.041 0.000 0.313 517 F C -1.250 174.576 175.800 0.043 0.000 1.130 517 F CA -1.139 56.843 58.000 -0.030 0.000 0.936 517 F CB 1.535 40.493 39.000 -0.069 0.000 1.219 517 F HN -0.165 nan 8.300 nan 0.000 0.445 518 Y N 4.467 124.824 120.300 0.095 0.000 2.326 518 Y HA 0.651 5.177 4.550 -0.040 0.000 0.331 518 Y C -0.719 175.240 175.900 0.099 0.000 0.962 518 Y CA -1.066 57.062 58.100 0.047 0.000 1.167 518 Y CB 0.881 39.324 38.460 -0.029 0.000 1.148 518 Y HN 0.483 nan 8.280 nan 0.000 0.463 519 I N 6.993 127.423 120.570 -0.233 0.000 2.471 519 I HA 0.274 4.420 4.170 -0.040 0.000 0.286 519 I C -0.590 175.386 176.117 -0.235 0.000 1.079 519 I CA -0.365 60.915 61.300 -0.034 0.000 1.398 519 I CB 0.827 38.913 38.000 0.143 0.000 1.403 519 I HN 0.395 nan 8.210 nan 0.000 0.530 520 V N 6.421 126.389 119.914 0.090 0.000 2.623 520 V HA 0.746 4.842 4.120 -0.040 0.000 0.304 520 V C 0.247 176.466 176.094 0.207 0.000 1.054 520 V CA -0.124 62.234 62.300 0.096 0.000 0.882 520 V CB 1.666 33.609 31.823 0.200 0.000 1.002 520 V HN 0.865 nan 8.190 nan 0.000 0.424 521 G N 5.976 114.871 108.800 0.158 0.000 2.773 521 G HA2 0.507 4.443 3.960 -0.040 0.000 0.186 521 G HA3 0.507 4.443 3.960 -0.040 0.000 0.186 521 G C -0.456 174.548 174.900 0.174 0.000 1.411 521 G CA -0.716 44.515 45.100 0.219 0.000 1.054 521 G HN 0.609 nan 8.290 nan 0.000 0.579 522 R N 0.026 120.630 120.500 0.173 0.000 2.486 522 R HA 0.311 4.626 4.340 -0.040 0.000 0.286 522 R C -0.544 175.839 176.300 0.140 0.000 0.999 522 R CA -0.519 55.668 56.100 0.145 0.000 0.993 522 R CB 0.842 31.226 30.300 0.140 0.000 1.084 522 R HN 0.653 nan 8.270 nan 0.000 0.487 523 D N 0.739 121.217 120.400 0.131 0.000 2.686 523 D HA -0.110 4.506 4.640 -0.040 0.000 0.235 523 D C -1.993 174.402 176.300 0.160 0.000 1.160 523 D CA 0.243 54.334 54.000 0.151 0.000 0.645 523 D CB -0.328 40.565 40.800 0.155 0.000 1.039 523 D HN 0.339 nan 8.370 nan 0.000 0.423 524 P HA 0.237 nan 4.420 nan 0.000 0.268 524 P C 0.640 178.017 177.300 0.129 0.000 1.204 524 P CA 0.865 64.043 63.100 0.129 0.000 0.768 524 P CB 1.216 32.986 31.700 0.116 0.000 0.842 525 A N 1.688 124.612 122.820 0.173 0.000 2.861 525 A HA -0.125 4.170 4.320 -0.040 0.000 0.261 525 A C 0.882 178.636 177.584 0.284 0.000 1.351 525 A CA 1.204 53.347 52.037 0.177 0.000 0.904 525 A CB -2.317 16.705 19.000 0.038 0.000 1.076 525 A HN 0.853 nan 8.150 nan 0.000 0.729 526 G N -1.562 107.437 108.800 0.330 0.000 2.502 526 G HA2 0.832 4.768 3.960 -0.040 0.000 0.305 526 G HA3 0.832 4.768 3.960 -0.040 0.000 0.305 526 G C -0.284 174.863 174.900 0.413 0.000 1.190 526 G CA -0.198 45.190 45.100 0.479 0.000 0.933 526 G HN 1.703 nan 8.290 nan 0.000 0.503 527 M N -1.251 118.555 119.600 0.345 0.000 2.682 527 M HA 0.526 4.982 4.480 -0.040 0.000 0.272 527 M C -3.200 173.160 176.300 0.100 0.000 1.232 527 M CA -1.857 53.559 55.300 0.193 0.000 0.849 527 M CB 1.823 34.497 32.600 0.123 0.000 1.695 527 M HN 0.152 nan 8.290 nan 0.000 0.481 528 P HA 0.082 nan 4.420 nan 0.000 0.269 528 P C -1.093 176.231 177.300 0.040 0.000 1.209 528 P CA 0.115 63.241 63.100 0.043 0.000 0.776 528 P CB 0.238 31.959 31.700 0.036 0.000 0.876 529 H N 4.863 123.915 119.070 -0.029 0.000 3.046 529 H HA 0.012 4.544 4.556 -0.041 0.000 0.303 529 H C -1.458 173.858 175.328 -0.019 0.000 1.002 529 H CA -1.323 54.709 56.048 -0.026 0.000 1.460 529 H CB 0.296 30.037 29.762 -0.036 0.000 1.493 529 H HN 0.266 nan 8.280 nan 0.000 0.559 530 P HA -0.124 nan 4.420 nan 0.000 0.218 530 P C 0.904 178.302 177.300 0.163 0.000 1.148 530 P CA 1.199 64.379 63.100 0.133 0.000 0.822 530 P CB 0.575 32.316 31.700 0.067 0.000 0.784 531 E N -1.666 118.706 120.200 0.287 0.000 2.127 531 E HA -0.045 4.280 4.350 -0.040 0.000 0.191 531 E C 1.923 178.470 176.600 -0.088 0.000 0.964 531 E CA 1.518 57.935 56.400 0.029 0.000 0.832 531 E CB -0.793 28.887 29.700 -0.034 0.000 0.790 531 E HN 0.291 nan 8.360 nan 0.000 0.465 532 T N -4.327 110.114 114.554 -0.187 0.000 3.015 532 T HA 0.283 4.609 4.350 -0.040 0.000 0.250 532 T C 1.695 176.361 174.700 -0.056 0.000 1.057 532 T CA 0.611 62.611 62.100 -0.166 0.000 1.066 532 T CB 0.546 69.252 68.868 -0.269 0.000 0.959 532 T HN 0.228 nan 8.240 nan 0.000 0.488 533 G N 1.804 110.607 108.800 0.006 0.000 2.212 533 G HA2 -0.269 3.667 3.960 -0.040 0.000 0.266 533 G HA3 -0.269 3.667 3.960 -0.040 0.000 0.266 533 G C 0.109 175.021 174.900 0.021 0.000 0.978 533 G CA 0.424 45.535 45.100 0.019 0.000 0.632 533 G HN 0.688 nan 8.290 nan 0.000 0.537 534 K N 0.838 121.251 120.400 0.021 0.000 2.138 534 K HA 0.324 4.620 4.320 -0.040 0.000 0.251 534 K C -0.118 176.504 176.600 0.037 0.000 1.015 534 K CA -0.662 55.635 56.287 0.017 0.000 0.917 534 K CB 0.438 32.941 32.500 0.005 0.000 1.021 534 K HN 0.113 nan 8.250 nan 0.000 0.485 535 D N 1.874 122.285 120.400 0.018 0.000 2.488 535 D HA -0.073 4.543 4.640 -0.040 0.000 0.238 535 D C 1.337 177.621 176.300 -0.025 0.000 1.138 535 D CA 0.320 54.331 54.000 0.019 0.000 0.873 535 D CB 0.754 41.570 40.800 0.027 0.000 1.183 535 D HN 0.388 nan 8.370 nan 0.000 0.458 536 L N 1.889 123.046 121.223 -0.111 0.000 2.079 536 L HA -0.185 4.131 4.340 -0.040 0.000 0.210 536 L C 0.335 176.876 176.870 -0.549 0.000 1.081 536 L CA 1.498 56.097 54.840 -0.402 0.000 0.752 536 L CB -0.035 41.589 42.059 -0.725 0.000 0.896 536 L HN 0.441 nan 8.230 nan 0.000 0.433 537 Y N -1.687 118.660 120.300 0.078 0.000 2.524 537 Y HA 0.292 4.817 4.550 -0.041 0.000 0.344 537 Y C 0.304 176.175 175.900 -0.049 0.000 1.012 537 Y CA -1.284 56.838 58.100 0.036 0.000 1.068 537 Y CB 0.930 39.435 38.460 0.075 0.000 1.249 537 Y HN -0.197 nan 8.280 nan 0.000 0.468 538 E N 4.609 124.783 120.200 -0.043 0.000 2.324 538 E HA 0.055 4.381 4.350 -0.040 0.000 0.271 538 E C -1.784 174.732 176.600 -0.141 0.000 1.028 538 E CA -1.621 54.622 56.400 -0.261 0.000 0.890 538 E CB 1.149 30.351 29.700 -0.829 0.000 1.004 538 E HN 0.388 nan 8.360 nan 0.000 0.431 539 P HA -0.118 nan 4.420 nan 0.000 0.223 539 P C 1.020 178.362 177.300 0.071 0.000 1.151 539 P CA 0.849 63.977 63.100 0.046 0.000 0.787 539 P CB 0.300 32.027 31.700 0.046 0.000 0.788 540 S N -1.768 113.971 115.700 0.064 0.000 2.528 540 S HA -0.064 4.382 4.470 -0.040 0.000 0.219 540 S C 1.804 176.530 174.600 0.209 0.000 0.985 540 S CA 0.038 58.315 58.200 0.127 0.000 0.914 540 S CB -1.488 61.791 63.200 0.133 0.000 0.776 540 S HN 0.293 nan 8.310 nan 0.000 0.526 541 H N 1.037 120.147 119.070 0.066 0.000 2.389 541 H HA 0.029 4.561 4.556 -0.040 0.000 0.299 541 H C 2.521 177.859 175.328 0.018 0.000 1.081 541 H CA 0.546 56.621 56.048 0.044 0.000 1.345 541 H CB -0.401 29.393 29.762 0.053 0.000 1.393 541 H HN 0.580 nan 8.280 nan 0.000 0.520 542 G N 0.969 109.854 108.800 0.143 0.000 2.491 542 G HA2 -0.336 3.600 3.960 -0.040 0.000 0.218 542 G HA3 -0.336 3.600 3.960 -0.040 0.000 0.218 542 G C 1.940 176.879 174.900 0.065 0.000 1.180 542 G CA 1.026 46.166 45.100 0.066 0.000 0.774 542 G HN 0.473 nan 8.290 nan 0.000 0.562 543 A N 0.502 123.375 122.820 0.088 0.000 1.902 543 A HA 0.011 4.307 4.320 -0.040 0.000 0.217 543 A C 2.327 179.940 177.584 0.049 0.000 1.181 543 A CA 2.042 54.124 52.037 0.075 0.000 0.623 543 A CB -0.347 18.702 19.000 0.081 0.000 0.818 543 A HN 0.401 nan 8.150 nan 0.000 0.443 544 K N -0.534 119.900 120.400 0.057 0.000 2.057 544 K HA -0.053 4.242 4.320 -0.040 0.000 0.206 544 K C 1.875 178.473 176.600 -0.003 0.000 1.050 544 K CA 1.385 57.689 56.287 0.028 0.000 0.935 544 K CB -0.319 32.201 32.500 0.034 0.000 0.715 544 K HN 0.291 nan 8.250 nan 0.000 0.439 545 V N 1.818 121.727 119.914 -0.008 0.000 2.358 545 V HA -0.228 3.868 4.120 -0.040 0.000 0.246 545 V C 2.221 178.299 176.094 -0.027 0.000 1.047 545 V CA 1.495 63.777 62.300 -0.030 0.000 1.035 545 V CB -0.357 31.442 31.823 -0.040 0.000 0.658 545 V HN 0.305 nan 8.190 nan 0.000 0.452 546 L N 0.635 121.846 121.223 -0.019 0.000 2.042 546 L HA -0.197 4.119 4.340 -0.040 0.000 0.210 546 L C 2.765 179.620 176.870 -0.026 0.000 1.076 546 L CA 2.235 57.056 54.840 -0.033 0.000 0.749 546 L CB -0.845 41.203 42.059 -0.018 0.000 0.893 546 L HN 0.623 nan 8.230 nan 0.000 0.432 547 T N -2.829 111.720 114.554 -0.009 0.000 3.007 547 T HA -0.181 4.145 4.350 -0.040 0.000 0.270 547 T C 1.392 176.082 174.700 -0.016 0.000 1.107 547 T CA 1.146 63.240 62.100 -0.010 0.000 1.118 547 T CB -0.144 68.722 68.868 -0.003 0.000 0.889 547 T HN 0.518 nan 8.240 nan 0.000 0.506 548 M N -0.475 119.114 119.600 -0.019 0.000 2.306 548 M HA 0.675 5.131 4.480 -0.040 0.000 0.292 548 M C 0.641 176.930 176.300 -0.018 0.000 1.018 548 M CA -0.704 54.585 55.300 -0.019 0.000 1.007 548 M CB 0.354 32.943 32.600 -0.019 0.000 1.510 548 M HN 0.098 nan 8.290 nan 0.000 0.537 549 A N 3.198 126.005 122.820 -0.022 0.000 2.477 549 A HA 0.567 4.863 4.320 -0.040 0.000 0.246 549 A C -2.372 175.209 177.584 -0.006 0.000 1.078 549 A CA -0.921 51.106 52.037 -0.016 0.000 0.770 549 A CB -0.600 18.384 19.000 -0.026 0.000 1.011 549 A HN 0.254 nan 8.150 nan 0.000 0.494 550 P HA 0.382 nan 4.420 nan 0.000 0.272 550 P C 1.013 178.340 177.300 0.045 0.000 1.230 550 P CA 1.203 64.314 63.100 0.019 0.000 0.788 550 P CB 0.709 32.421 31.700 0.020 0.000 0.949 551 G N 0.783 109.622 108.800 0.065 0.000 2.179 551 G HA2 -0.246 3.690 3.960 -0.040 0.000 0.260 551 G HA3 -0.246 3.690 3.960 -0.040 0.000 0.260 551 G C 0.107 175.079 174.900 0.120 0.000 0.977 551 G CA -0.130 45.058 45.100 0.146 0.000 0.641 551 G HN 0.488 nan 8.290 nan 0.000 0.533 552 L N 1.837 123.064 121.223 0.008 0.000 2.719 552 L HA 0.385 4.701 4.340 -0.040 0.000 0.236 552 L C 2.145 178.959 176.870 -0.093 0.000 1.285 552 L CA -0.179 54.608 54.840 -0.089 0.000 1.222 552 L CB -0.268 41.731 42.059 -0.100 0.000 1.493 552 L HN 0.495 nan 8.230 nan 0.000 0.415 553 I N -2.639 117.890 120.570 -0.069 0.000 2.716 553 I HA -0.031 4.114 4.170 -0.040 0.000 0.259 553 I C 1.671 177.740 176.117 -0.080 0.000 1.172 553 I CA 1.001 62.279 61.300 -0.036 0.000 1.478 553 I CB -0.124 37.902 38.000 0.043 0.000 1.104 553 I HN 0.377 nan 8.210 nan 0.000 0.439 554 T N 0.276 114.749 114.554 -0.135 0.000 3.214 554 T HA 0.569 4.894 4.350 -0.040 0.000 0.264 554 T C 0.024 174.602 174.700 -0.203 0.000 1.012 554 T CA -0.483 61.531 62.100 -0.143 0.000 0.901 554 T CB -0.497 68.299 68.868 -0.121 0.000 1.070 554 T HN 0.359 nan 8.240 nan 0.000 0.561 555 L N -3.078 118.017 121.223 -0.213 0.000 2.479 555 L HA 0.834 5.150 4.340 -0.040 0.000 0.255 555 L C -0.980 175.752 176.870 -0.230 0.000 1.026 555 L CA -1.474 53.199 54.840 -0.280 0.000 0.842 555 L CB 1.554 43.468 42.059 -0.241 0.000 1.444 555 L HN 0.053 nan 8.230 nan 0.000 0.409 556 E N 1.034 121.059 120.200 -0.291 0.000 2.183 556 E HA 0.566 4.892 4.350 -0.040 0.000 0.271 556 E C -1.125 175.496 176.600 0.036 0.000 0.919 556 E CA -0.913 55.422 56.400 -0.109 0.000 0.781 556 E CB 1.397 31.058 29.700 -0.065 0.000 1.140 556 E HN 0.607 nan 8.360 nan 0.000 0.402 557 I N 4.202 124.809 120.570 0.062 0.000 2.441 557 I HA 0.128 4.274 4.170 -0.040 0.000 0.287 557 I C -0.170 176.013 176.117 0.109 0.000 1.049 557 I CA -0.541 60.828 61.300 0.115 0.000 1.381 557 I CB 1.083 39.126 38.000 0.071 0.000 1.409 557 I HN 0.332 nan 8.210 nan 0.000 0.523 558 V N 8.599 128.593 119.914 0.134 0.000 2.266 558 V HA 0.277 4.373 4.120 -0.040 0.000 0.271 558 V C -2.200 173.852 176.094 -0.069 0.000 1.032 558 V CA -1.363 60.956 62.300 0.032 0.000 0.806 558 V CB 1.153 33.061 31.823 0.141 0.000 1.052 558 V HN 0.612 nan 8.190 nan 0.000 0.449 559 P HA 0.567 nan 4.420 nan 0.000 0.288 559 P C -1.164 175.862 177.300 -0.456 0.000 1.267 559 P CA -0.349 62.657 63.100 -0.156 0.000 0.815 559 P CB 1.340 32.993 31.700 -0.078 0.000 0.989 560 F N 0.543 120.519 119.950 0.044 0.000 2.588 560 F HA 0.491 4.994 4.527 -0.039 0.000 0.314 560 F C 1.295 177.133 175.800 0.064 0.000 1.069 560 F CA -1.007 57.008 58.000 0.024 0.000 0.931 560 F CB 1.976 41.054 39.000 0.130 0.000 1.260 560 F HN 0.056 nan 8.300 nan 0.000 0.465 561 R N 0.287 120.927 120.500 0.233 0.000 2.726 561 R HA 0.412 4.728 4.340 -0.040 0.000 0.272 561 R C -0.683 175.839 176.300 0.370 0.000 1.097 561 R CA -0.717 55.533 56.100 0.249 0.000 1.198 561 R CB 0.962 31.384 30.300 0.203 0.000 1.114 561 R HN 0.488 nan 8.270 nan 0.000 0.550 562 V N 1.150 121.241 119.914 0.296 0.000 2.740 562 V HA 0.324 4.419 4.120 -0.040 0.000 0.303 562 V C -0.380 175.870 176.094 0.261 0.000 1.054 562 V CA 0.081 62.536 62.300 0.258 0.000 1.106 562 V CB 0.935 32.875 31.823 0.196 0.000 0.957 562 V HN 0.817 nan 8.190 nan 0.000 0.486 563 A N 5.939 128.850 122.820 0.151 0.000 2.318 563 A HA 0.957 5.252 4.320 -0.040 0.000 0.324 563 A C -0.142 177.405 177.584 -0.060 0.000 1.170 563 A CA 0.047 52.073 52.037 -0.019 0.000 0.810 563 A CB 1.407 20.311 19.000 -0.159 0.000 1.198 563 A HN 1.913 nan 8.150 nan 0.000 0.484 564 A N 1.047 123.801 122.820 -0.111 0.000 2.566 564 A HA 0.634 4.930 4.320 -0.040 0.000 0.292 564 A C -1.300 176.308 177.584 0.041 0.000 1.112 564 A CA -0.576 51.365 52.037 -0.159 0.000 0.707 564 A CB 0.549 19.175 19.000 -0.623 0.000 1.302 564 A HN 1.260 nan 8.150 nan 0.000 0.409 565 Y N 2.225 122.481 120.300 -0.073 0.000 2.605 565 Y HA 0.203 4.731 4.550 -0.037 0.000 0.336 565 Y C 0.501 176.390 175.900 -0.018 0.000 1.111 565 Y CA 0.250 58.331 58.100 -0.030 0.000 1.422 565 Y CB 0.380 38.803 38.460 -0.062 0.000 1.193 565 Y HN 0.635 nan 8.280 nan 0.000 0.526 566 N N 6.326 124.657 118.700 -0.613 0.000 2.462 566 N HA 0.077 4.793 4.740 -0.040 0.000 0.242 566 N C 0.440 175.432 175.510 -0.863 0.000 1.010 566 N CA -0.009 52.610 53.050 -0.718 0.000 0.939 566 N CB 0.872 39.014 38.487 -0.575 0.000 1.127 566 N HN 0.807 nan 8.380 nan 0.000 0.509 567 K N 2.701 122.765 120.400 -0.561 0.000 2.057 567 K HA -0.157 4.139 4.320 -0.040 0.000 0.207 567 K C 1.555 178.003 176.600 -0.254 0.000 1.049 567 K CA 1.298 57.414 56.287 -0.284 0.000 0.931 567 K CB 0.228 32.667 32.500 -0.103 0.000 0.714 567 K HN 0.455 nan 8.250 nan 0.000 0.440 568 K N 1.374 121.603 120.400 -0.285 0.000 2.009 568 K HA -0.152 4.144 4.320 -0.040 0.000 0.210 568 K C 1.573 178.050 176.600 -0.206 0.000 1.049 568 K CA 1.653 57.814 56.287 -0.211 0.000 0.929 568 K CB 0.138 32.513 32.500 -0.208 0.000 0.714 568 K HN -0.010 nan 8.250 nan 0.000 0.440 569 K N 0.220 120.457 120.400 -0.271 0.000 2.459 569 K HA -0.001 4.295 4.320 -0.040 0.000 0.193 569 K C 0.190 176.656 176.600 -0.224 0.000 1.030 569 K CA 0.222 56.377 56.287 -0.219 0.000 1.026 569 K CB 0.286 32.658 32.500 -0.213 0.000 0.809 569 K HN 0.101 nan 8.250 nan 0.000 0.504 570 K N 1.076 121.289 120.400 -0.311 0.000 3.069 570 K HA -0.244 4.052 4.320 -0.040 0.000 0.267 570 K C -1.023 175.449 176.600 -0.213 0.000 1.082 570 K CA 0.855 57.004 56.287 -0.230 0.000 0.782 570 K CB -0.807 31.666 32.500 -0.045 0.000 1.230 570 K HN 0.451 nan 8.250 nan 0.000 0.488 571 R N -1.665 118.579 120.500 -0.426 0.000 2.766 571 R HA 0.456 4.772 4.340 -0.040 0.000 0.270 571 R C -0.590 175.552 176.300 -0.263 0.000 1.035 571 R CA -1.315 54.664 56.100 -0.202 0.000 0.911 571 R CB 0.296 30.531 30.300 -0.109 0.000 1.243 571 R HN -0.133 nan 8.270 nan 0.000 0.460 572 M N 1.317 120.872 119.600 -0.075 0.000 2.238 572 M HA 0.309 4.765 4.480 -0.040 0.000 0.347 572 M C -0.643 175.562 176.300 -0.158 0.000 1.173 572 M CA 0.429 55.680 55.300 -0.082 0.000 1.147 572 M CB 0.118 32.670 32.600 -0.080 0.000 1.547 572 M HN 0.726 nan 8.290 nan 0.000 0.455 573 D N 0.857 121.174 120.400 -0.137 0.000 2.639 573 D HA 0.350 4.966 4.640 -0.040 0.000 0.271 573 D C -1.657 174.554 176.300 -0.148 0.000 1.254 573 D CA -0.381 53.523 54.000 -0.160 0.000 0.810 573 D CB 0.986 41.788 40.800 0.003 0.000 1.351 573 D HN 0.383 nan 8.370 nan 0.000 0.427 574 Y N 1.130 121.493 120.300 0.105 0.000 2.442 574 Y HA 0.177 4.704 4.550 -0.040 0.000 0.330 574 Y C 0.263 176.152 175.900 -0.018 0.000 1.129 574 Y CA -0.237 57.907 58.100 0.074 0.000 1.365 574 Y CB 0.395 38.914 38.460 0.099 0.000 1.233 574 Y HN 0.266 nan 8.280 nan 0.000 0.529 575 Y N 3.534 123.721 120.300 -0.188 0.000 2.497 575 Y HA 0.131 4.658 4.550 -0.040 0.000 0.334 575 Y C -0.284 175.488 175.900 -0.214 0.000 1.199 575 Y CA -0.154 57.543 58.100 -0.672 0.000 1.425 575 Y CB 0.554 38.760 38.460 -0.423 0.000 1.291 575 Y HN 0.599 nan 8.280 nan 0.000 0.562 576 D N 3.173 122.977 120.400 -0.995 0.000 2.788 576 D HA 0.219 4.835 4.640 -0.040 0.000 0.247 576 D C 0.195 176.162 176.300 -0.556 0.000 1.236 576 D CA -0.319 53.412 54.000 -0.449 0.000 0.898 576 D CB 2.163 42.939 40.800 -0.039 0.000 1.401 576 D HN 0.651 nan 8.370 nan 0.000 0.549 577 S N 2.327 117.850 115.700 -0.296 0.000 2.377 577 S HA -0.183 4.263 4.470 -0.040 0.000 0.224 577 S C 0.166 174.804 174.600 0.064 0.000 1.042 577 S CA 1.188 59.366 58.200 -0.036 0.000 1.086 577 S CB -0.319 62.918 63.200 0.061 0.000 0.995 577 S HN 0.570 nan 8.310 nan 0.000 0.428 578 E N 0.919 121.170 120.200 0.084 0.000 2.493 578 E HA 0.037 4.362 4.350 -0.040 0.000 0.255 578 E C 0.046 176.788 176.600 0.236 0.000 0.999 578 E CA 0.346 56.807 56.400 0.101 0.000 0.934 578 E CB -0.023 29.762 29.700 0.142 0.000 0.940 578 E HN 0.451 nan 8.360 nan 0.000 0.473 579 H N 0.193 119.315 119.070 0.087 0.000 3.284 579 H HA -0.159 4.372 4.556 -0.041 0.000 0.197 579 H C 1.029 176.486 175.328 0.214 0.000 1.073 579 H CA 0.732 56.837 56.048 0.094 0.000 1.153 579 H CB -1.576 28.223 29.762 0.062 0.000 1.111 579 H HN 0.808 nan 8.280 nan 0.000 0.324 580 H N 2.244 121.453 119.070 0.231 0.000 2.390 580 H HA -0.131 4.401 4.556 -0.040 0.000 0.298 580 H C 1.691 177.257 175.328 0.396 0.000 1.106 580 H CA 2.680 58.958 56.048 0.383 0.000 1.297 580 H CB 0.410 30.362 29.762 0.317 0.000 1.375 580 H HN 0.538 nan 8.280 nan 0.000 0.509 581 E N 0.052 120.362 120.200 0.184 0.000 2.338 581 E HA -0.113 4.213 4.350 -0.040 0.000 0.197 581 E C 1.328 177.911 176.600 -0.027 0.000 1.007 581 E CA 1.096 57.530 56.400 0.056 0.000 0.849 581 E CB -0.056 29.681 29.700 0.062 0.000 0.774 581 E HN 0.580 nan 8.360 nan 0.000 0.506 582 D N -0.300 120.044 120.400 -0.095 0.000 2.348 582 D HA -0.024 4.592 4.640 -0.040 0.000 0.216 582 D C -0.511 175.456 176.300 -0.556 0.000 0.970 582 D CA 0.564 54.344 54.000 -0.366 0.000 0.889 582 D CB 0.041 40.519 40.800 -0.537 0.000 0.912 582 D HN 0.156 nan 8.370 nan 0.000 0.524 583 F N 0.996 120.901 119.950 -0.076 0.000 2.426 583 F HA 0.247 4.749 4.527 -0.041 0.000 0.348 583 F C 0.800 176.502 175.800 -0.162 0.000 1.124 583 F CA -0.882 57.029 58.000 -0.149 0.000 1.008 583 F CB 1.434 40.353 39.000 -0.134 0.000 1.139 583 F HN -0.375 nan 8.300 nan 0.000 0.452 584 E N 4.058 124.279 120.200 0.035 0.000 2.089 584 E HA 0.207 4.533 4.350 -0.040 0.000 0.284 584 E C -1.097 175.434 176.600 -0.115 0.000 1.023 584 E CA -0.536 55.874 56.400 0.018 0.000 0.819 584 E CB 0.606 30.328 29.700 0.037 0.000 1.076 584 E HN 0.368 nan 8.360 nan 0.000 0.396 585 F N 4.141 124.117 119.950 0.044 0.000 2.467 585 F HA 0.216 4.718 4.527 -0.042 0.000 0.362 585 F C 0.657 176.422 175.800 -0.059 0.000 1.090 585 F CA -0.134 57.871 58.000 0.008 0.000 1.202 585 F CB 0.447 39.446 39.000 -0.001 0.000 1.113 585 F HN 0.319 nan 8.300 nan 0.000 0.541 586 I N 3.761 124.346 120.570 0.024 0.000 2.405 586 I HA 0.178 4.324 4.170 -0.040 0.000 0.280 586 I C 0.136 176.300 176.117 0.079 0.000 1.027 586 I CA -0.387 60.834 61.300 -0.133 0.000 1.161 586 I CB 0.806 38.389 38.000 -0.694 0.000 1.300 586 I HN 0.629 nan 8.210 nan 0.000 0.463 587 S N 3.714 119.478 115.700 0.107 0.000 2.655 587 S HA 0.350 4.796 4.470 -0.040 0.000 0.265 587 S C 1.456 176.166 174.600 0.184 0.000 1.240 587 S CA -0.050 58.249 58.200 0.164 0.000 0.986 587 S CB 1.401 64.669 63.200 0.113 0.000 0.985 587 S HN 0.693 nan 8.310 nan 0.000 0.562 588 G N 0.376 109.303 108.800 0.212 0.000 2.440 588 G HA2 -0.152 3.784 3.960 -0.040 0.000 0.218 588 G HA3 -0.152 3.784 3.960 -0.040 0.000 0.218 588 G C 1.265 176.251 174.900 0.144 0.000 1.154 588 G CA 1.288 46.531 45.100 0.239 0.000 0.767 588 G HN 0.747 nan 8.290 nan 0.000 0.552 589 T N 0.374 114.979 114.554 0.086 0.000 2.720 589 T HA -0.147 4.179 4.350 -0.040 0.000 0.268 589 T C 2.392 177.077 174.700 -0.025 0.000 1.037 589 T CA 1.606 63.718 62.100 0.020 0.000 1.144 589 T CB -0.114 68.766 68.868 0.019 0.000 0.864 589 T HN 0.337 nan 8.240 nan 0.000 0.444 590 R N 0.631 121.129 120.500 -0.005 0.000 2.092 590 R HA 0.126 4.442 4.340 -0.040 0.000 0.231 590 R C 2.384 178.655 176.300 -0.048 0.000 1.119 590 R CA 1.327 57.403 56.100 -0.040 0.000 0.970 590 R CB -0.351 29.919 30.300 -0.050 0.000 0.864 590 R HN 0.375 nan 8.270 nan 0.000 0.440 591 M N -0.464 119.149 119.600 0.022 0.000 2.132 591 M HA -0.112 4.344 4.480 -0.040 0.000 0.263 591 M C 2.426 178.614 176.300 -0.187 0.000 1.065 591 M CA 1.656 57.050 55.300 0.155 0.000 1.122 591 M CB -0.238 32.650 32.600 0.481 0.000 1.365 591 M HN 0.140 nan 8.290 nan 0.000 0.411 592 R N 0.885 121.034 120.500 -0.585 0.000 2.091 592 R HA -0.169 4.147 4.340 -0.040 0.000 0.238 592 R C 2.004 178.036 176.300 -0.445 0.000 1.136 592 R CA 1.654 57.153 56.100 -1.002 0.000 0.959 592 R CB -0.012 29.934 30.300 -0.590 0.000 0.856 592 R HN 0.312 nan 8.270 nan 0.000 0.437 593 K N 0.209 120.473 120.400 -0.227 0.000 2.057 593 K HA -0.128 4.167 4.320 -0.040 0.000 0.206 593 K C 2.199 178.756 176.600 -0.072 0.000 1.050 593 K CA 1.400 57.613 56.287 -0.123 0.000 0.935 593 K CB -0.179 32.269 32.500 -0.085 0.000 0.715 593 K HN 0.212 nan 8.250 nan 0.000 0.439 594 L N 0.742 121.947 121.223 -0.030 0.000 2.017 594 L HA -0.207 4.109 4.340 -0.040 0.000 0.208 594 L C 2.663 179.615 176.870 0.137 0.000 1.073 594 L CA 1.307 56.174 54.840 0.045 0.000 0.745 594 L CB -0.671 41.408 42.059 0.033 0.000 0.894 594 L HN 0.203 nan 8.230 nan 0.000 0.432 595 A N -0.181 122.739 122.820 0.167 0.000 1.940 595 A HA -0.255 4.041 4.320 -0.040 0.000 0.219 595 A C 2.460 180.050 177.584 0.010 0.000 1.176 595 A CA 1.835 53.940 52.037 0.113 0.000 0.631 595 A CB -0.619 18.349 19.000 -0.053 0.000 0.814 595 A HN 0.354 nan 8.150 nan 0.000 0.446 596 R N 0.025 120.492 120.500 -0.054 0.000 2.073 596 R HA -0.124 4.192 4.340 -0.040 0.000 0.234 596 R C 1.350 177.637 176.300 -0.021 0.000 1.134 596 R CA 1.723 57.791 56.100 -0.054 0.000 0.952 596 R CB -0.225 30.026 30.300 -0.081 0.000 0.850 596 R HN 0.657 nan 8.270 nan 0.000 0.433 597 E N -0.896 119.298 120.200 -0.010 0.000 2.494 597 E HA 0.076 4.401 4.350 -0.040 0.000 0.193 597 E C 0.567 177.178 176.600 0.018 0.000 1.074 597 E CA 0.353 56.751 56.400 -0.003 0.000 0.867 597 E CB 0.420 30.113 29.700 -0.012 0.000 0.924 597 E HN 0.642 nan 8.360 nan 0.000 0.502 598 G N 1.824 110.649 108.800 0.042 0.000 2.179 598 G HA2 -0.335 3.601 3.960 -0.040 0.000 0.257 598 G HA3 -0.335 3.601 3.960 -0.040 0.000 0.257 598 G C 0.098 175.052 174.900 0.090 0.000 1.010 598 G CA 0.460 45.600 45.100 0.067 0.000 0.736 598 G HN 0.302 nan 8.290 nan 0.000 0.513 599 Q N -0.784 119.071 119.800 0.092 0.000 2.207 599 Q HA 0.711 5.027 4.340 -0.040 0.000 0.237 599 Q C 0.173 176.230 176.000 0.095 0.000 0.998 599 Q CA -0.634 55.204 55.803 0.057 0.000 0.951 599 Q CB 1.216 29.946 28.738 -0.013 0.000 1.213 599 Q HN 0.310 nan 8.270 nan 0.000 0.499 600 K N 0.718 121.061 120.400 -0.096 0.000 2.328 600 K HA 0.516 4.812 4.320 -0.040 0.000 0.246 600 K C -2.508 173.760 176.600 -0.554 0.000 0.955 600 K CA -1.955 54.089 56.287 -0.405 0.000 0.817 600 K CB 1.322 33.646 32.500 -0.294 0.000 1.208 600 K HN 0.334 nan 8.250 nan 0.000 0.432 601 P HA 0.134 nan 4.420 nan 0.000 0.273 601 P C -2.523 174.461 177.300 -0.527 0.000 1.250 601 P CA -1.057 61.622 63.100 -0.703 0.000 0.793 601 P CB -0.423 30.800 31.700 -0.796 0.000 1.011 602 P HA 0.014 nan 4.420 nan 0.000 0.267 602 P C -0.122 176.948 177.300 -0.383 0.000 1.201 602 P CA 0.146 62.923 63.100 -0.538 0.000 0.775 602 P CB 0.178 31.244 31.700 -1.056 0.000 0.854 603 E N 0.772 120.861 120.200 -0.186 0.000 2.452 603 E HA 0.200 4.526 4.350 -0.040 0.000 0.261 603 E C 1.130 177.762 176.600 0.053 0.000 0.987 603 E CA 0.908 57.276 56.400 -0.054 0.000 0.926 603 E CB -0.446 29.253 29.700 -0.003 0.000 0.934 603 E HN 0.742 nan 8.360 nan 0.000 0.452 604 G N 3.842 112.678 108.800 0.061 0.000 2.199 604 G HA2 -0.352 3.584 3.960 -0.040 0.000 0.254 604 G HA3 -0.352 3.584 3.960 -0.040 0.000 0.254 604 G C 0.420 175.402 174.900 0.137 0.000 0.982 604 G CA 0.307 45.477 45.100 0.118 0.000 0.632 604 G HN 0.641 nan 8.290 nan 0.000 0.529 605 F N 0.760 120.658 119.950 -0.087 0.000 2.128 605 F HA 0.571 5.073 4.527 -0.041 0.000 0.295 605 F C 1.185 176.969 175.800 -0.026 0.000 1.100 605 F CA 1.923 59.851 58.000 -0.120 0.000 1.260 605 F CB 0.118 38.927 39.000 -0.318 0.000 1.009 605 F HN 0.265 nan 8.300 nan 0.000 0.476 606 M N 0.068 119.613 119.600 -0.091 0.000 2.433 606 M HA 0.559 5.015 4.480 -0.040 0.000 0.290 606 M C -1.045 175.282 176.300 0.044 0.000 1.173 606 M CA -0.898 54.352 55.300 -0.084 0.000 0.905 606 M CB 1.894 34.509 32.600 0.026 0.000 1.692 606 M HN -0.013 nan 8.290 nan 0.000 0.462 607 A N 5.321 128.166 122.820 0.043 0.000 2.546 607 A HA 0.316 4.612 4.320 -0.040 0.000 0.243 607 A C -2.218 175.444 177.584 0.130 0.000 1.063 607 A CA -0.849 51.227 52.037 0.064 0.000 0.757 607 A CB -0.699 18.328 19.000 0.044 0.000 0.991 607 A HN 0.740 nan 8.150 nan 0.000 0.503 608 P HA -0.192 nan 4.420 nan 0.000 0.216 608 P C 1.201 178.620 177.300 0.198 0.000 1.154 608 P CA 1.659 64.863 63.100 0.173 0.000 0.865 608 P CB 0.120 31.888 31.700 0.113 0.000 0.789 609 K N -0.934 119.544 120.400 0.131 0.000 2.211 609 K HA -0.021 4.275 4.320 -0.040 0.000 0.203 609 K C 2.071 178.740 176.600 0.114 0.000 1.050 609 K CA 1.229 57.580 56.287 0.108 0.000 0.945 609 K CB -0.435 32.109 32.500 0.074 0.000 0.732 609 K HN 0.057 nan 8.250 nan 0.000 0.451 610 A N 1.194 124.097 122.820 0.137 0.000 1.929 610 A HA -0.164 4.131 4.320 -0.040 0.000 0.216 610 A C 1.863 179.562 177.584 0.192 0.000 1.176 610 A CA 0.710 52.831 52.037 0.140 0.000 0.628 610 A CB -0.829 18.251 19.000 0.133 0.000 0.816 610 A HN 0.603 nan 8.150 nan 0.000 0.444 611 W N 1.289 122.641 121.300 0.086 0.000 2.338 611 W HA -0.186 4.450 4.660 -0.039 0.000 0.304 611 W C 1.649 178.230 176.519 0.103 0.000 1.212 611 W CA 2.145 59.559 57.345 0.115 0.000 1.264 611 W CB -0.499 29.032 29.460 0.118 0.000 1.142 611 W HN 0.359 nan 8.180 nan 0.000 0.512 612 T N 1.347 115.894 114.554 -0.013 0.000 2.746 612 T HA -0.206 4.120 4.350 -0.040 0.000 0.267 612 T C 1.864 176.487 174.700 -0.129 0.000 1.039 612 T CA 2.014 64.051 62.100 -0.106 0.000 1.142 612 T CB -0.788 68.100 68.868 0.033 0.000 0.866 612 T HN -0.008 nan 8.240 nan 0.000 0.444 613 V N 1.684 121.577 119.914 -0.036 0.000 2.282 613 V HA -0.185 3.911 4.120 -0.040 0.000 0.249 613 V C 2.493 178.525 176.094 -0.105 0.000 1.057 613 V CA 1.648 63.960 62.300 0.021 0.000 1.032 613 V CB -0.730 31.142 31.823 0.082 0.000 0.645 613 V HN 0.459 nan 8.190 nan 0.000 0.447 614 L N 0.452 121.529 121.223 -0.243 0.000 2.083 614 L HA -0.170 4.146 4.340 -0.040 0.000 0.209 614 L C 2.830 179.389 176.870 -0.517 0.000 1.083 614 L CA 1.993 56.583 54.840 -0.416 0.000 0.752 614 L CB -1.165 40.690 42.059 -0.340 0.000 0.899 614 L HN 0.626 nan 8.230 nan 0.000 0.433 615 T N -3.322 110.884 114.554 -0.581 0.000 2.759 615 T HA -0.177 4.149 4.350 -0.040 0.000 0.269 615 T C 1.694 176.233 174.700 -0.267 0.000 1.042 615 T CA 1.066 62.928 62.100 -0.396 0.000 1.140 615 T CB -0.197 68.445 68.868 -0.377 0.000 0.864 615 T HN 0.242 nan 8.240 nan 0.000 0.455 616 E N 0.437 120.489 120.200 -0.247 0.000 2.072 616 E HA -0.049 4.277 4.350 -0.040 0.000 0.191 616 E C 1.816 178.097 176.600 -0.532 0.000 0.985 616 E CA 1.129 57.416 56.400 -0.188 0.000 0.801 616 E CB -0.616 29.134 29.700 0.083 0.000 0.750 616 E HN 0.821 nan 8.360 nan 0.000 0.452 617 Y N 0.404 120.030 120.300 -1.123 0.000 2.114 617 Y HA -0.309 4.234 4.550 -0.011 0.000 0.284 617 Y C 2.215 177.573 175.900 -0.902 0.000 1.143 617 Y CA 1.752 58.826 58.100 -1.711 0.000 1.135 617 Y CB -0.542 36.880 38.460 -1.730 0.000 0.980 617 Y HN 0.009 nan 8.280 nan 0.000 0.499 618 Y N 0.507 120.312 120.300 -0.825 0.000 2.256 618 Y HA -0.277 4.241 4.550 -0.053 0.000 0.288 618 Y C 2.665 178.277 175.900 -0.480 0.000 1.155 618 Y CA 1.493 59.181 58.100 -0.688 0.000 1.203 618 Y CB -0.233 37.986 38.460 -0.402 0.000 0.980 618 Y HN 0.128 nan 8.280 nan 0.000 0.530 619 K N 0.459 120.713 120.400 -0.244 0.000 2.009 619 K HA -0.218 4.078 4.320 -0.040 0.000 0.210 619 K C 2.326 178.820 176.600 -0.177 0.000 1.049 619 K CA 1.946 58.135 56.287 -0.162 0.000 0.929 619 K CB -0.238 32.192 32.500 -0.118 0.000 0.714 619 K HN 0.318 nan 8.250 nan 0.000 0.440 620 S N 0.823 116.380 115.700 -0.238 0.000 2.402 620 S HA -0.139 4.306 4.470 -0.040 0.000 0.229 620 S C 2.021 176.507 174.600 -0.189 0.000 1.021 620 S CA 0.828 58.939 58.200 -0.149 0.000 0.974 620 S CB -0.489 62.682 63.200 -0.048 0.000 0.800 620 S HN 0.345 nan 8.310 nan 0.000 0.484 621 L N 1.357 122.365 121.223 -0.358 0.000 2.017 621 L HA -0.020 4.296 4.340 -0.040 0.000 0.208 621 L C 0.553 177.328 176.870 -0.158 0.000 1.073 621 L CA 1.405 56.058 54.840 -0.311 0.000 0.745 621 L CB -0.380 41.380 42.059 -0.498 0.000 0.894 621 L HN 0.363 nan 8.230 nan 0.000 0.432 622 E N 2.345 122.460 120.200 -0.142 0.000 1.791 622 E HA 0.171 4.497 4.350 -0.040 0.000 0.263 622 E C -0.649 175.909 176.600 -0.069 0.000 1.213 622 E CA 0.326 56.673 56.400 -0.088 0.000 0.991 622 E CB 0.538 30.189 29.700 -0.081 0.000 1.068 622 E HN 0.321 nan 8.360 nan 0.000 0.417 623 K N 0.000 120.369 120.400 -0.052 0.000 2.780 623 K HA 0.000 4.296 4.320 -0.040 0.000 0.191 623 K CA 0.000 56.267 56.287 -0.033 0.000 0.838 623 K CB 0.000 32.482 32.500 -0.030 0.000 1.064 623 K HN 0.000 nan 8.250 nan 0.000 0.543