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 1xnj_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 YKKARAGEIK DATA SEQUENCE GFTGIDSEYE 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 0.000 175.317 175.328 -0.019 0.000 0.993 34 H CA 0.000 56.037 56.048 -0.018 0.000 1.023 34 H CB 0.000 29.749 29.762 -0.021 0.000 1.292 35 V N 2.971 122.978 119.914 0.156 0.000 2.614 35 V HA 0.164 4.262 4.120 -0.037 0.000 0.291 35 V C 0.961 177.065 176.094 0.017 0.000 1.049 35 V CA 0.021 62.359 62.300 0.064 0.000 1.038 35 V CB 1.260 33.115 31.823 0.054 0.000 0.980 35 V HN 0.848 nan 8.190 nan 0.000 0.481 36 S N 5.630 121.326 115.700 -0.006 0.000 2.600 36 S HA 0.224 4.671 4.470 -0.037 0.000 0.265 36 S C 1.091 175.637 174.600 -0.090 0.000 1.325 36 S CA -0.280 57.888 58.200 -0.054 0.000 1.002 36 S CB 0.614 63.783 63.200 -0.051 0.000 0.921 36 S HN 0.630 nan 8.310 nan 0.000 0.554 37 R N 1.321 121.694 120.500 -0.210 0.000 2.081 37 R HA -0.121 4.197 4.340 -0.037 0.000 0.235 37 R C 2.328 178.509 176.300 -0.200 0.000 1.131 37 R CA 1.607 57.468 56.100 -0.398 0.000 0.960 37 R CB -0.598 29.105 30.300 -0.995 0.000 0.856 37 R HN 0.895 nan 8.270 nan 0.000 0.436 38 N N 1.409 120.022 118.700 -0.144 0.000 2.396 38 N HA -0.156 4.561 4.740 -0.037 0.000 0.180 38 N C 1.061 176.594 175.510 0.039 0.000 1.028 38 N CA 1.212 54.251 53.050 -0.018 0.000 0.893 38 N CB 0.151 38.625 38.487 -0.022 0.000 0.967 38 N HN 0.178 nan 8.380 nan 0.000 0.440 39 K N 0.434 120.846 120.400 0.020 0.000 2.076 39 K HA 0.131 4.429 4.320 -0.037 0.000 0.204 39 K C 2.334 178.973 176.600 0.066 0.000 1.051 39 K CA 0.615 56.924 56.287 0.038 0.000 0.949 39 K CB 0.095 32.609 32.500 0.023 0.000 0.726 39 K HN 0.122 nan 8.250 nan 0.000 0.443 40 R N -0.025 120.524 120.500 0.083 0.000 2.096 40 R HA -0.084 4.234 4.340 -0.037 0.000 0.235 40 R C 2.344 178.755 176.300 0.184 0.000 1.127 40 R CA 1.411 57.588 56.100 0.128 0.000 0.968 40 R CB -0.493 29.890 30.300 0.138 0.000 0.861 40 R HN 0.294 nan 8.270 nan 0.000 0.440 41 G N 0.599 109.554 108.800 0.258 0.000 2.470 41 G HA2 -0.223 3.714 3.960 -0.037 0.000 0.220 41 G HA3 -0.223 3.714 3.960 -0.037 0.000 0.220 41 G C 1.348 176.320 174.900 0.121 0.000 1.121 41 G CA 0.198 45.439 45.100 0.236 0.000 0.766 41 G HN 0.180 nan 8.290 nan 0.000 0.553 42 Q N -0.217 119.640 119.800 0.094 0.000 2.269 42 Q HA 0.029 4.347 4.340 -0.037 0.000 0.201 42 Q C 2.801 178.831 176.000 0.050 0.000 0.946 42 Q CA 1.241 57.081 55.803 0.061 0.000 0.877 42 Q CB 0.156 28.923 28.738 0.048 0.000 0.963 42 Q HN 0.593 nan 8.270 nan 0.000 0.472 43 V N -3.655 116.292 119.914 0.055 0.000 3.621 43 V HA 0.223 4.321 4.120 -0.037 0.000 0.263 43 V C 0.943 177.062 176.094 0.041 0.000 1.272 43 V CA -0.153 62.173 62.300 0.042 0.000 1.080 43 V CB 0.278 32.123 31.823 0.037 0.000 0.816 43 V HN -0.154 nan 8.190 nan 0.000 0.451 44 V N 4.010 123.956 119.914 0.052 0.000 2.409 44 V HA 0.598 4.696 4.120 -0.037 0.000 0.270 44 V C 1.257 177.370 176.094 0.031 0.000 1.019 44 V CA 0.941 63.267 62.300 0.044 0.000 1.066 44 V CB -1.123 30.729 31.823 0.049 0.000 1.021 44 V HN 1.098 nan 8.190 nan 0.000 0.476 45 G N 5.088 113.903 108.800 0.025 0.000 2.860 45 G HA2 -0.228 3.709 3.960 -0.037 0.000 0.553 45 G HA3 -0.228 3.709 3.960 -0.037 0.000 0.553 45 G C 0.666 175.575 174.900 0.014 0.000 1.439 45 G CA 0.043 45.154 45.100 0.017 0.000 0.879 45 G HN 1.126 nan 8.290 nan 0.000 0.545 46 T N -1.918 112.640 114.554 0.007 0.000 3.009 46 T HA 0.175 4.503 4.350 -0.037 0.000 0.258 46 T C 1.262 175.964 174.700 0.003 0.000 1.063 46 T CA 1.210 63.310 62.100 0.001 0.000 1.139 46 T CB 0.098 68.961 68.868 -0.009 0.000 0.890 46 T HN 0.712 nan 8.240 nan 0.000 0.471 47 R N 1.442 121.946 120.500 0.007 0.000 2.441 47 R HA 0.580 4.898 4.340 -0.037 0.000 0.284 47 R C 0.656 176.968 176.300 0.019 0.000 1.070 47 R CA -0.369 55.736 56.100 0.010 0.000 1.047 47 R CB 0.870 31.177 30.300 0.011 0.000 1.016 47 R HN 0.413 nan 8.270 nan 0.000 0.477 48 G N -0.233 108.580 108.800 0.022 0.000 2.502 48 G HA2 0.541 4.479 3.960 -0.037 0.000 0.305 48 G HA3 0.541 4.479 3.960 -0.037 0.000 0.305 48 G C -0.289 174.640 174.900 0.048 0.000 1.190 48 G CA -0.178 44.944 45.100 0.036 0.000 0.933 48 G HN 0.767 nan 8.290 nan 0.000 0.503 49 G N -1.520 107.325 108.800 0.074 0.000 2.907 49 G HA2 0.169 4.107 3.960 -0.037 0.000 0.686 49 G HA3 0.169 4.107 3.960 -0.037 0.000 0.686 49 G C -0.514 174.467 174.900 0.136 0.000 1.115 49 G CA -0.402 44.761 45.100 0.105 0.000 0.760 49 G HN 1.097 nan 8.290 nan 0.000 0.620 50 F N 3.195 123.170 119.950 0.041 0.000 2.495 50 F HA 0.578 5.083 4.527 -0.037 0.000 0.365 50 F C 1.729 177.566 175.800 0.062 0.000 1.090 50 F CA 0.421 58.451 58.000 0.050 0.000 1.235 50 F CB 0.639 39.666 39.000 0.046 0.000 1.119 50 F HN 0.620 nan 8.300 nan 0.000 0.562 51 R N 3.832 123.987 120.500 -0.574 0.000 2.582 51 R HA 0.307 4.624 4.340 -0.037 0.000 0.453 51 R C 0.160 176.185 176.300 -0.460 0.000 0.969 51 R CA -0.288 55.606 56.100 -0.343 0.000 1.113 51 R CB -0.329 29.903 30.300 -0.112 0.000 1.507 51 R HN 0.740 nan 8.270 nan 0.000 0.587 52 G N 1.375 109.529 108.800 -1.077 0.000 2.321 52 G HA2 0.264 4.202 3.960 -0.037 0.000 0.237 52 G HA3 0.264 4.202 3.960 -0.037 0.000 0.237 52 G C 0.282 175.143 174.900 -0.066 0.000 1.282 52 G CA 0.617 45.426 45.100 -0.485 0.000 0.886 52 G HN 0.681 nan 8.290 nan 0.000 0.528 53 C N -1.057 118.282 119.300 0.065 0.000 3.211 53 C HA 0.821 5.258 4.460 -0.037 0.000 0.350 53 C C -0.411 174.648 174.990 0.114 0.000 1.413 53 C CA -0.911 58.178 59.018 0.118 0.000 1.203 53 C CB 1.275 29.128 27.740 0.189 0.000 1.506 53 C HN 0.853 nan 8.230 nan 0.000 0.448 54 T N 1.148 115.714 114.554 0.019 0.000 2.881 54 T HA 0.587 4.915 4.350 -0.037 0.000 0.291 54 T C -0.924 173.751 174.700 -0.041 0.000 0.990 54 T CA -0.234 61.860 62.100 -0.010 0.000 0.976 54 T CB 1.504 70.296 68.868 -0.126 0.000 0.970 54 T HN 0.819 nan 8.240 nan 0.000 0.438 55 V N 4.760 124.697 119.914 0.038 0.000 2.334 55 V HA 0.311 4.409 4.120 -0.037 0.000 0.267 55 V C -0.501 175.567 176.094 -0.044 0.000 1.040 55 V CA -0.803 61.520 62.300 0.038 0.000 0.866 55 V CB 0.732 32.571 31.823 0.026 0.000 1.019 55 V HN 0.794 nan 8.190 nan 0.000 0.468 56 W N 7.894 129.026 121.300 -0.280 0.000 2.295 56 W HA 0.492 5.130 4.660 -0.037 0.000 0.333 56 W C -1.130 175.355 176.519 -0.056 0.000 0.990 56 W CA -0.864 56.355 57.345 -0.211 0.000 1.453 56 W CB 1.137 30.331 29.460 -0.444 0.000 1.263 56 W HN 0.418 nan 8.180 nan 0.000 0.380 57 L N 5.327 126.419 121.223 -0.218 0.000 2.326 57 L HA 0.429 4.747 4.340 -0.037 0.000 0.278 57 L C 0.677 177.554 176.870 0.012 0.000 1.092 57 L CA 0.155 54.960 54.840 -0.057 0.000 0.810 57 L CB 1.415 43.401 42.059 -0.122 0.000 1.153 57 L HN 0.207 nan 8.230 nan 0.000 0.439 58 T N 1.357 116.052 114.554 0.235 0.000 2.916 58 T HA 0.832 5.160 4.350 -0.037 0.000 0.305 58 T C -0.548 174.383 174.700 0.384 0.000 1.119 58 T CA 0.078 62.394 62.100 0.360 0.000 1.008 58 T CB 1.808 71.004 68.868 0.546 0.000 1.129 58 T HN 0.969 nan 8.240 nan 0.000 0.480 59 G N 1.997 110.961 108.800 0.274 0.000 2.341 59 G HA2 0.360 4.298 3.960 -0.037 0.000 0.293 59 G HA3 0.360 4.298 3.960 -0.037 0.000 0.293 59 G C -1.477 173.275 174.900 -0.247 0.000 1.298 59 G CA -0.817 44.252 45.100 -0.052 0.000 0.868 59 G HN 0.893 nan 8.290 nan 0.000 0.540 60 L N 0.495 121.488 121.223 -0.383 0.000 2.479 60 L HA 0.426 4.743 4.340 -0.037 0.000 0.270 60 L C 1.557 178.415 176.870 -0.020 0.000 1.236 60 L CA -0.206 54.527 54.840 -0.177 0.000 0.823 60 L CB 0.452 42.471 42.059 -0.067 0.000 1.098 60 L HN 0.532 nan 8.230 nan 0.000 0.500 61 S N 0.565 116.284 115.700 0.032 0.000 2.546 61 S HA 0.259 4.706 4.470 -0.037 0.000 0.290 61 S C 1.075 175.830 174.600 0.258 0.000 1.290 61 S CA 0.565 58.833 58.200 0.112 0.000 1.069 61 S CB -0.137 63.146 63.200 0.139 0.000 0.846 61 S HN 1.000 nan 8.310 nan 0.000 0.495 62 G N 3.190 112.078 108.800 0.148 0.000 2.168 62 G HA2 -0.297 3.641 3.960 -0.037 0.000 0.263 62 G HA3 -0.297 3.641 3.960 -0.037 0.000 0.263 62 G C 0.925 175.841 174.900 0.026 0.000 0.977 62 G CA 0.452 45.613 45.100 0.103 0.000 0.659 62 G HN 1.266 nan 8.290 nan 0.000 0.533 63 A N -0.571 122.246 122.820 -0.005 0.000 2.015 63 A HA 0.487 4.785 4.320 -0.037 0.000 0.219 63 A C 2.507 180.048 177.584 -0.072 0.000 1.163 63 A CA 2.343 54.344 52.037 -0.060 0.000 0.646 63 A CB -0.279 18.660 19.000 -0.100 0.000 0.806 63 A HN 2.454 nan 8.150 nan 0.000 0.448 64 G N -1.583 107.181 108.800 -0.060 0.000 2.200 64 G HA2 -0.129 3.809 3.960 -0.037 0.000 0.145 64 G HA3 -0.129 3.809 3.960 -0.037 0.000 0.145 64 G C 0.744 175.596 174.900 -0.080 0.000 1.021 64 G CA 0.403 45.462 45.100 -0.068 0.000 0.720 64 G HN 0.393 nan 8.290 nan 0.000 0.494 65 K N 0.037 120.386 120.400 -0.085 0.000 2.002 65 K HA -0.028 4.270 4.320 -0.037 0.000 0.209 65 K C 2.492 179.012 176.600 -0.133 0.000 1.048 65 K CA 1.860 58.081 56.287 -0.110 0.000 0.930 65 K CB -0.277 32.148 32.500 -0.125 0.000 0.714 65 K HN 0.250 nan 8.250 nan 0.000 0.438 66 T N 0.716 115.192 114.554 -0.130 0.000 2.833 66 T HA -0.106 4.222 4.350 -0.037 0.000 0.269 66 T C 1.907 176.541 174.700 -0.110 0.000 1.054 66 T CA 1.617 63.633 62.100 -0.139 0.000 1.135 66 T CB -0.253 68.544 68.868 -0.119 0.000 0.869 66 T HN 0.266 nan 8.240 nan 0.000 0.466 67 T N 1.770 116.271 114.554 -0.088 0.000 2.732 67 T HA -0.033 4.294 4.350 -0.037 0.000 0.261 67 T C 2.252 176.907 174.700 -0.075 0.000 1.040 67 T CA 0.818 62.874 62.100 -0.072 0.000 1.145 67 T CB -0.513 68.318 68.868 -0.061 0.000 0.866 67 T HN 0.135 nan 8.240 nan 0.000 0.427 68 V N 2.629 122.494 119.914 -0.083 0.000 2.324 68 V HA -0.227 3.870 4.120 -0.037 0.000 0.250 68 V C 2.811 178.850 176.094 -0.092 0.000 1.060 68 V CA 2.257 64.505 62.300 -0.086 0.000 1.042 68 V CB -1.098 30.671 31.823 -0.091 0.000 0.650 68 V HN 0.639 nan 8.190 nan 0.000 0.450 69 S N -0.739 114.894 115.700 -0.112 0.000 2.368 69 S HA -0.163 4.285 4.470 -0.037 0.000 0.224 69 S C 1.971 176.508 174.600 -0.104 0.000 1.029 69 S CA 1.400 59.526 58.200 -0.124 0.000 0.988 69 S CB -0.414 62.682 63.200 -0.173 0.000 0.838 69 S HN 0.395 nan 8.310 nan 0.000 0.462 70 M N 2.060 121.601 119.600 -0.098 0.000 2.086 70 M HA 0.032 4.489 4.480 -0.037 0.000 0.261 70 M C 2.689 178.961 176.300 -0.046 0.000 1.067 70 M CA 1.774 57.026 55.300 -0.079 0.000 1.116 70 M CB -1.671 30.886 32.600 -0.071 0.000 1.348 70 M HN 0.552 nan 8.290 nan 0.000 0.407 71 A N -0.013 122.784 122.820 -0.038 0.000 1.929 71 A HA -0.114 4.183 4.320 -0.037 0.000 0.216 71 A C 2.176 179.771 177.584 0.020 0.000 1.176 71 A CA 1.078 53.110 52.037 -0.009 0.000 0.628 71 A CB -0.794 18.193 19.000 -0.021 0.000 0.816 71 A HN 0.406 nan 8.150 nan 0.000 0.444 72 L N 0.336 121.549 121.223 -0.017 0.000 2.017 72 L HA -0.166 4.151 4.340 -0.037 0.000 0.208 72 L C 2.272 179.175 176.870 0.054 0.000 1.073 72 L CA 2.744 57.580 54.840 -0.006 0.000 0.745 72 L CB -0.763 41.258 42.059 -0.064 0.000 0.894 72 L HN 0.612 nan 8.230 nan 0.000 0.432 73 E N -0.589 119.616 120.200 0.008 0.000 2.049 73 E HA -0.323 4.005 4.350 -0.037 0.000 0.198 73 E C 2.145 178.772 176.600 0.045 0.000 1.007 73 E CA 1.821 58.228 56.400 0.011 0.000 0.809 73 E CB -0.271 29.402 29.700 -0.044 0.000 0.749 73 E HN 0.658 nan 8.360 nan 0.000 0.450 74 E N -0.576 119.649 120.200 0.041 0.000 2.058 74 E HA -0.243 4.085 4.350 -0.037 0.000 0.194 74 E C 2.018 178.675 176.600 0.095 0.000 0.997 74 E CA 1.400 57.826 56.400 0.044 0.000 0.801 74 E CB -0.310 29.408 29.700 0.030 0.000 0.746 74 E HN 0.397 nan 8.360 nan 0.000 0.450 75 Y N 1.160 121.482 120.300 0.035 0.000 2.114 75 Y HA -0.249 4.279 4.550 -0.037 0.000 0.282 75 Y C 2.053 178.056 175.900 0.172 0.000 1.165 75 Y CA 1.809 59.974 58.100 0.108 0.000 1.148 75 Y CB -0.299 38.189 38.460 0.047 0.000 0.972 75 Y HN 0.013 nan 8.280 nan 0.000 0.504 76 L N -1.427 119.950 121.223 0.256 0.000 2.093 76 L HA -0.182 4.135 4.340 -0.037 0.000 0.208 76 L C 2.339 179.238 176.870 0.049 0.000 1.085 76 L CA 0.893 55.831 54.840 0.163 0.000 0.755 76 L CB -0.643 41.500 42.059 0.140 0.000 0.904 76 L HN 0.115 nan 8.230 nan 0.000 0.435 77 V N -1.096 118.834 119.914 0.027 0.000 2.307 77 V HA -0.283 3.815 4.120 -0.037 0.000 0.245 77 V C 2.573 178.621 176.094 -0.077 0.000 1.045 77 V CA 1.638 63.931 62.300 -0.011 0.000 1.024 77 V CB -0.388 31.432 31.823 -0.005 0.000 0.651 77 V HN 0.549 nan 8.190 nan 0.000 0.449 78 C N -0.174 119.050 119.300 -0.127 0.000 2.403 78 C HA -0.201 4.237 4.460 -0.037 0.000 0.279 78 C C 2.053 176.755 174.990 -0.479 0.000 1.269 78 C CA 1.117 59.969 59.018 -0.277 0.000 1.774 78 C CB -1.469 26.085 27.740 -0.310 0.000 1.993 78 C HN 0.677 nan 8.230 nan 0.000 0.496 79 H N -0.592 118.308 119.070 -0.284 0.000 2.568 79 H HA 0.352 4.886 4.556 -0.037 0.000 0.302 79 H C 1.541 176.790 175.328 -0.133 0.000 1.065 79 H CA 0.595 56.493 56.048 -0.250 0.000 1.140 79 H CB -0.546 28.978 29.762 -0.395 0.000 1.474 79 H HN 0.439 nan 8.280 nan 0.000 0.545 80 G N 1.073 109.852 108.800 -0.035 0.000 2.179 80 G HA2 -0.283 3.655 3.960 -0.037 0.000 0.257 80 G HA3 -0.283 3.655 3.960 -0.037 0.000 0.257 80 G C 0.066 174.972 174.900 0.008 0.000 1.010 80 G CA 0.151 45.242 45.100 -0.015 0.000 0.736 80 G HN 0.447 nan 8.290 nan 0.000 0.513 81 I N 1.384 121.966 120.570 0.021 0.000 2.428 81 I HA 0.222 4.370 4.170 -0.037 0.000 0.279 81 I C -2.115 174.023 176.117 0.035 0.000 1.040 81 I CA -2.184 59.134 61.300 0.030 0.000 1.171 81 I CB 1.569 39.596 38.000 0.045 0.000 1.312 81 I HN -0.152 nan 8.210 nan 0.000 0.470 82 P HA 0.012 nan 4.420 nan 0.000 0.264 82 P C -0.597 176.745 177.300 0.070 0.000 1.183 82 P CA -0.040 63.093 63.100 0.056 0.000 0.763 82 P CB 0.382 32.117 31.700 0.058 0.000 0.807 83 C N 2.232 121.586 119.300 0.090 0.000 3.291 83 C HA 0.822 5.260 4.460 -0.037 0.000 0.316 83 C C -1.525 173.547 174.990 0.136 0.000 1.391 83 C CA -1.005 58.065 59.018 0.086 0.000 1.394 83 C CB 1.117 28.883 27.740 0.044 0.000 1.744 83 C HN 0.571 nan 8.230 nan 0.000 0.461 84 Y N -0.414 119.826 120.300 -0.099 0.000 2.519 84 Y HA 0.611 5.139 4.550 -0.037 0.000 0.336 84 Y C -0.423 175.331 175.900 -0.244 0.000 1.089 84 Y CA -0.002 57.974 58.100 -0.206 0.000 1.025 84 Y CB 2.174 40.415 38.460 -0.364 0.000 1.318 84 Y HN 0.939 nan 8.280 nan 0.000 0.452 85 T N 6.602 120.726 114.554 -0.716 0.000 2.767 85 T HA 0.551 4.879 4.350 -0.037 0.000 0.284 85 T C -0.739 173.632 174.700 -0.548 0.000 0.973 85 T CA -0.493 61.304 62.100 -0.505 0.000 0.996 85 T CB 0.355 68.985 68.868 -0.398 0.000 0.927 85 T HN 0.436 nan 8.240 nan 0.000 0.456 86 L N 4.957 126.006 121.223 -0.289 0.000 2.272 86 L HA 0.599 4.917 4.340 -0.037 0.000 0.289 86 L C -0.124 176.641 176.870 -0.175 0.000 1.032 86 L CA -0.744 54.038 54.840 -0.095 0.000 0.810 86 L CB 0.995 43.136 42.059 0.137 0.000 1.205 86 L HN 0.735 nan 8.230 nan 0.000 0.422 87 D N 1.404 121.697 120.400 -0.179 0.000 2.812 87 D HA 0.267 4.884 4.640 -0.037 0.000 0.318 87 D C 0.899 177.085 176.300 -0.189 0.000 1.234 87 D CA -0.235 53.443 54.000 -0.537 0.000 0.989 87 D CB 0.738 41.274 40.800 -0.440 0.000 1.442 87 D HN 0.305 nan 8.370 nan 0.000 0.537 88 G N -0.505 108.164 108.800 -0.218 0.000 2.440 88 G HA2 -0.277 3.661 3.960 -0.037 0.000 0.218 88 G HA3 -0.277 3.661 3.960 -0.037 0.000 0.218 88 G C 0.910 175.846 174.900 0.061 0.000 1.154 88 G CA 1.165 46.299 45.100 0.057 0.000 0.767 88 G HN 0.520 nan 8.290 nan 0.000 0.552 89 D N 0.885 121.280 120.400 -0.007 0.000 2.123 89 D HA -0.124 4.494 4.640 -0.037 0.000 0.196 89 D C 2.380 178.700 176.300 0.033 0.000 0.992 89 D CA 1.572 55.575 54.000 0.005 0.000 0.833 89 D CB -0.109 40.672 40.800 -0.031 0.000 0.954 89 D HN 0.545 nan 8.370 nan 0.000 0.455 90 N N -0.306 118.416 118.700 0.037 0.000 2.454 90 N HA -0.042 4.676 4.740 -0.037 0.000 0.177 90 N C 1.603 177.184 175.510 0.118 0.000 1.049 90 N CA 0.203 53.298 53.050 0.075 0.000 0.887 90 N CB -0.131 38.402 38.487 0.076 0.000 1.095 90 N HN 0.105 nan 8.380 nan 0.000 0.446 91 I N 1.158 121.823 120.570 0.159 0.000 2.270 91 I HA 0.073 4.221 4.170 -0.037 0.000 0.239 91 I C 2.213 178.402 176.117 0.120 0.000 1.080 91 I CA 0.702 62.101 61.300 0.164 0.000 1.383 91 I CB -0.686 37.448 38.000 0.222 0.000 1.097 91 I HN 0.123 nan 8.210 nan 0.000 0.420 92 R N 0.384 120.974 120.500 0.150 0.000 2.235 92 R HA -0.075 4.243 4.340 -0.037 0.000 0.213 92 R C 1.793 178.143 176.300 0.083 0.000 1.059 92 R CA 0.593 56.756 56.100 0.105 0.000 0.997 92 R CB 0.048 30.435 30.300 0.145 0.000 0.884 92 R HN 0.488 nan 8.270 nan 0.000 0.462 93 Q N -1.298 118.554 119.800 0.085 0.000 2.319 93 Q HA 0.078 4.396 4.340 -0.037 0.000 0.202 93 Q C 0.919 176.955 176.000 0.060 0.000 0.896 93 Q CA 0.343 56.187 55.803 0.069 0.000 0.942 93 Q CB 1.400 30.177 28.738 0.065 0.000 1.083 93 Q HN 0.378 nan 8.270 nan 0.000 0.510 94 G N 0.056 108.894 108.800 0.064 0.000 2.474 94 G HA2 -0.040 3.898 3.960 -0.037 0.000 0.182 94 G HA3 -0.040 3.898 3.960 -0.037 0.000 0.182 94 G C 0.720 175.650 174.900 0.051 0.000 1.702 94 G CA -0.176 44.959 45.100 0.059 0.000 0.708 94 G HN 0.186 nan 8.290 nan 0.000 0.753 95 L N 1.072 122.331 121.223 0.059 0.000 2.127 95 L HA 0.134 4.452 4.340 -0.037 0.000 0.211 95 L C 1.183 178.069 176.870 0.026 0.000 1.089 95 L CA 1.865 56.733 54.840 0.048 0.000 0.757 95 L CB -0.472 41.624 42.059 0.062 0.000 0.899 95 L HN 0.362 nan 8.230 nan 0.000 0.434 96 N N -1.158 117.556 118.700 0.023 0.000 2.351 96 N HA 0.030 4.748 4.740 -0.037 0.000 0.254 96 N C 0.977 176.483 175.510 -0.008 0.000 1.241 96 N CA 0.126 53.172 53.050 -0.007 0.000 0.883 96 N CB 0.359 38.827 38.487 -0.033 0.000 1.202 96 N HN 0.431 nan 8.380 nan 0.000 0.512 97 K N 0.738 121.145 120.400 0.013 0.000 2.147 97 K HA -0.115 4.183 4.320 -0.037 0.000 0.205 97 K C 0.940 177.543 176.600 0.005 0.000 1.049 97 K CA 1.391 57.690 56.287 0.020 0.000 0.936 97 K CB -0.211 32.307 32.500 0.031 0.000 0.722 97 K HN 0.100 nan 8.250 nan 0.000 0.446 98 N N 1.369 120.066 118.700 -0.005 0.000 2.362 98 N HA 0.082 4.799 4.740 -0.037 0.000 0.211 98 N C -0.498 174.991 175.510 -0.036 0.000 1.170 98 N CA 0.050 53.093 53.050 -0.012 0.000 0.828 98 N CB -0.067 38.417 38.487 -0.005 0.000 1.034 98 N HN 0.236 nan 8.380 nan 0.000 0.475 99 L N -1.286 119.896 121.223 -0.068 0.000 2.354 99 L HA 0.748 5.066 4.340 -0.037 0.000 0.269 99 L C 0.869 177.614 176.870 -0.208 0.000 1.005 99 L CA -1.279 53.487 54.840 -0.124 0.000 0.819 99 L CB 2.039 44.006 42.059 -0.153 0.000 1.311 99 L HN 0.111 nan 8.230 nan 0.000 0.423 100 G N -0.017 108.638 108.800 -0.241 0.000 2.940 100 G HA2 0.456 4.394 3.960 -0.037 0.000 0.164 100 G HA3 0.456 4.394 3.960 -0.037 0.000 0.164 100 G C -0.374 174.085 174.900 -0.734 0.000 1.326 100 G CA -0.152 44.725 45.100 -0.372 0.000 1.020 100 G HN 0.446 nan 8.290 nan 0.000 0.586 101 F N 0.135 120.117 119.950 0.053 0.000 2.724 101 F HA 0.249 4.753 4.527 -0.037 0.000 0.310 101 F C 1.385 177.228 175.800 0.071 0.000 1.107 101 F CA -0.709 57.325 58.000 0.058 0.000 1.218 101 F CB 0.538 39.565 39.000 0.045 0.000 1.042 101 F HN 0.055 nan 8.300 nan 0.000 0.540 102 S N 2.612 118.396 115.700 0.140 0.000 3.944 102 S HA 0.035 4.483 4.470 -0.037 0.000 0.215 102 S C -1.653 172.991 174.600 0.074 0.000 1.220 102 S CA -0.684 57.577 58.200 0.101 0.000 0.950 102 S CB -0.651 62.585 63.200 0.060 0.000 1.615 102 S HN 0.084 nan 8.310 nan 0.000 0.466 103 P HA -0.268 nan 4.420 nan 0.000 0.224 103 P C 0.893 178.212 177.300 0.032 0.000 1.156 103 P CA 1.512 64.684 63.100 0.121 0.000 0.839 103 P CB 0.048 31.778 31.700 0.050 0.000 0.758 104 E N -1.048 119.151 120.200 -0.001 0.000 2.072 104 E HA -0.148 4.180 4.350 -0.037 0.000 0.191 104 E C 1.784 178.378 176.600 -0.011 0.000 0.985 104 E CA 1.198 57.586 56.400 -0.020 0.000 0.801 104 E CB -0.687 28.999 29.700 -0.023 0.000 0.750 104 E HN 0.276 nan 8.360 nan 0.000 0.452 105 D N 0.110 120.502 120.400 -0.014 0.000 2.097 105 D HA -0.143 4.475 4.640 -0.037 0.000 0.195 105 D C 1.932 178.197 176.300 -0.060 0.000 0.989 105 D CA 0.971 54.938 54.000 -0.054 0.000 0.827 105 D CB -0.122 40.623 40.800 -0.091 0.000 0.966 105 D HN -0.048 nan 8.370 nan 0.000 0.456 106 R N 0.786 121.280 120.500 -0.010 0.000 2.105 106 R HA -0.140 4.177 4.340 -0.037 0.000 0.239 106 R C 2.022 178.378 176.300 0.094 0.000 1.135 106 R CA 1.531 57.661 56.100 0.051 0.000 0.967 106 R CB -0.084 30.329 30.300 0.188 0.000 0.861 106 R HN 0.249 nan 8.270 nan 0.000 0.442 107 E N -0.230 120.023 120.200 0.089 0.000 2.047 107 E HA -0.252 4.076 4.350 -0.037 0.000 0.191 107 E C 1.680 178.289 176.600 0.016 0.000 0.987 107 E CA 1.475 57.909 56.400 0.057 0.000 0.799 107 E CB -0.066 29.635 29.700 0.002 0.000 0.752 107 E HN 0.269 nan 8.360 nan 0.000 0.449 108 E N 1.197 121.391 120.200 -0.010 0.000 2.110 108 E HA -0.207 4.121 4.350 -0.037 0.000 0.193 108 E C 1.729 178.308 176.600 -0.035 0.000 0.988 108 E CA 1.484 57.870 56.400 -0.024 0.000 0.804 108 E CB -0.440 29.240 29.700 -0.034 0.000 0.745 108 E HN 0.333 nan 8.360 nan 0.000 0.458 109 N N -0.262 118.404 118.700 -0.057 0.000 2.000 109 N HA -0.198 4.519 4.740 -0.037 0.000 0.198 109 N C 1.830 177.283 175.510 -0.095 0.000 1.057 109 N CA 2.544 55.530 53.050 -0.106 0.000 0.858 109 N CB -0.205 38.202 38.487 -0.135 0.000 1.057 109 N HN 0.135 nan 8.380 nan 0.000 0.423 110 V N 1.726 121.630 119.914 -0.017 0.000 2.324 110 V HA -0.237 3.861 4.120 -0.037 0.000 0.250 110 V C 2.720 178.884 176.094 0.117 0.000 1.060 110 V CA 1.793 64.156 62.300 0.104 0.000 1.042 110 V CB -0.734 31.200 31.823 0.185 0.000 0.650 110 V HN 0.396 nan 8.190 nan 0.000 0.450 111 R N -0.078 120.447 120.500 0.043 0.000 2.070 111 R HA -0.163 4.155 4.340 -0.037 0.000 0.233 111 R C 2.610 178.929 176.300 0.031 0.000 1.137 111 R CA 1.749 57.862 56.100 0.022 0.000 0.945 111 R CB -0.196 30.101 30.300 -0.006 0.000 0.845 111 R HN 0.467 nan 8.270 nan 0.000 0.430 112 R N 0.057 120.564 120.500 0.013 0.000 2.091 112 R HA -0.123 4.195 4.340 -0.037 0.000 0.238 112 R C 2.382 178.714 176.300 0.053 0.000 1.136 112 R CA 1.646 57.758 56.100 0.019 0.000 0.959 112 R CB -0.450 29.849 30.300 -0.002 0.000 0.856 112 R HN 0.305 nan 8.270 nan 0.000 0.437 113 I N 0.820 121.410 120.570 0.034 0.000 2.179 113 I HA -0.261 3.887 4.170 -0.037 0.000 0.242 113 I C 2.664 178.958 176.117 0.296 0.000 1.088 113 I CA 1.368 62.711 61.300 0.072 0.000 1.357 113 I CB -0.412 37.472 38.000 -0.193 0.000 1.051 113 I HN 0.176 nan 8.210 nan 0.000 0.409 114 A N 0.198 123.236 122.820 0.364 0.000 1.933 114 A HA -0.174 4.123 4.320 -0.037 0.000 0.218 114 A C 2.253 179.949 177.584 0.187 0.000 1.175 114 A CA 1.407 53.687 52.037 0.406 0.000 0.628 114 A CB -0.386 18.733 19.000 0.199 0.000 0.814 114 A HN 0.367 nan 8.150 nan 0.000 0.444 115 E N -0.045 120.216 120.200 0.102 0.000 2.072 115 E HA -0.103 4.224 4.350 -0.037 0.000 0.191 115 E C 2.226 178.889 176.600 0.105 0.000 0.985 115 E CA 1.345 57.770 56.400 0.041 0.000 0.801 115 E CB -0.551 29.159 29.700 0.017 0.000 0.750 115 E HN 0.419 nan 8.360 nan 0.000 0.452 116 V N 2.000 122.016 119.914 0.171 0.000 2.287 116 V HA -0.268 3.829 4.120 -0.037 0.000 0.248 116 V C 2.553 178.886 176.094 0.399 0.000 1.053 116 V CA 1.899 64.355 62.300 0.259 0.000 1.027 116 V CB -1.020 30.971 31.823 0.281 0.000 0.646 116 V HN 0.239 nan 8.190 nan 0.000 0.447 117 A N 0.119 123.188 122.820 0.415 0.000 1.940 117 A HA -0.302 3.995 4.320 -0.037 0.000 0.219 117 A C 2.364 180.276 177.584 0.546 0.000 1.176 117 A CA 2.340 54.691 52.037 0.523 0.000 0.631 117 A CB -0.537 18.835 19.000 0.621 0.000 0.814 117 A HN 0.598 nan 8.150 nan 0.000 0.446 118 K N -0.208 120.379 120.400 0.311 0.000 2.097 118 K HA -0.043 4.255 4.320 -0.037 0.000 0.205 118 K C 1.792 178.484 176.600 0.153 0.000 1.050 118 K CA 1.274 57.621 56.287 0.100 0.000 0.938 118 K CB -0.304 32.019 32.500 -0.294 0.000 0.718 118 K HN 0.483 nan 8.250 nan 0.000 0.442 119 L N -0.001 121.291 121.223 0.115 0.000 2.093 119 L HA -0.113 4.205 4.340 -0.037 0.000 0.208 119 L C 2.242 179.088 176.870 -0.039 0.000 1.085 119 L CA 0.947 55.787 54.840 0.000 0.000 0.755 119 L CB -0.412 41.597 42.059 -0.084 0.000 0.904 119 L HN 0.115 nan 8.230 nan 0.000 0.435 120 F N 0.273 120.299 119.950 0.127 0.000 2.102 120 F HA -0.196 4.308 4.527 -0.037 0.000 0.298 120 F C 2.632 178.514 175.800 0.136 0.000 1.105 120 F CA 1.367 59.441 58.000 0.123 0.000 1.239 120 F CB -0.670 38.425 39.000 0.158 0.000 0.991 120 F HN -0.004 nan 8.300 nan 0.000 0.474 121 A N -0.375 122.667 122.820 0.370 0.000 1.902 121 A HA -0.270 4.028 4.320 -0.037 0.000 0.217 121 A C 1.885 179.651 177.584 0.304 0.000 1.181 121 A CA 2.119 54.333 52.037 0.294 0.000 0.623 121 A CB -1.067 18.144 19.000 0.351 0.000 0.818 121 A HN 0.392 nan 8.150 nan 0.000 0.443 122 D N -0.135 120.420 120.400 0.258 0.000 2.178 122 D HA -0.013 4.605 4.640 -0.037 0.000 0.201 122 D C 1.811 178.270 176.300 0.266 0.000 0.980 122 D CA 1.404 55.547 54.000 0.238 0.000 0.842 122 D CB -0.187 40.661 40.800 0.079 0.000 0.948 122 D HN 0.339 nan 8.370 nan 0.000 0.472 123 A N -0.976 121.939 122.820 0.158 0.000 2.168 123 A HA 0.377 4.675 4.320 -0.037 0.000 0.215 123 A C 1.889 179.579 177.584 0.176 0.000 1.152 123 A CA 1.236 53.340 52.037 0.110 0.000 0.716 123 A CB -0.465 18.517 19.000 -0.030 0.000 0.794 123 A HN 0.534 nan 8.150 nan 0.000 0.465 124 G N -2.476 106.430 108.800 0.176 0.000 2.163 124 G HA2 -0.126 3.812 3.960 -0.037 0.000 0.213 124 G HA3 -0.126 3.812 3.960 -0.037 0.000 0.213 124 G C -0.170 174.652 174.900 -0.129 0.000 0.991 124 G CA 0.088 45.108 45.100 -0.133 0.000 0.653 124 G HN 0.304 nan 8.290 nan 0.000 0.518 125 L N 0.774 122.024 121.223 0.045 0.000 2.421 125 L HA 0.641 4.959 4.340 -0.037 0.000 0.263 125 L C 1.001 177.917 176.870 0.076 0.000 1.122 125 L CA -0.757 54.143 54.840 0.100 0.000 0.804 125 L CB 1.662 43.879 42.059 0.262 0.000 1.150 125 L HN -0.010 nan 8.230 nan 0.000 0.457 126 V N 1.545 121.496 119.914 0.062 0.000 2.427 126 V HA 0.095 4.192 4.120 -0.037 0.000 0.268 126 V C 0.105 176.246 176.094 0.078 0.000 1.046 126 V CA -0.429 61.910 62.300 0.066 0.000 0.970 126 V CB 0.904 32.754 31.823 0.045 0.000 1.001 126 V HN 0.805 nan 8.190 nan 0.000 0.476 127 C N 7.819 127.178 119.300 0.099 0.000 2.295 127 C HA 0.668 5.105 4.460 -0.037 0.000 0.331 127 C C -0.030 174.967 174.990 0.012 0.000 1.280 127 C CA -0.659 58.397 59.018 0.064 0.000 1.746 127 C CB -0.769 27.072 27.740 0.168 0.000 2.328 127 C HN 0.795 nan 8.230 nan 0.000 0.521 128 I N 5.864 126.393 120.570 -0.067 0.000 2.378 128 I HA 0.408 4.556 4.170 -0.037 0.000 0.291 128 I C 0.461 176.476 176.117 -0.169 0.000 0.992 128 I CA 0.149 61.384 61.300 -0.109 0.000 1.154 128 I CB 1.978 39.900 38.000 -0.130 0.000 1.315 128 I HN 0.731 nan 8.210 nan 0.000 0.448 129 T N 1.104 115.525 114.554 -0.222 0.000 2.829 129 T HA 0.494 4.821 4.350 -0.037 0.000 0.280 129 T C -0.341 174.084 174.700 -0.458 0.000 0.999 129 T CA -0.724 61.186 62.100 -0.316 0.000 0.983 129 T CB 1.697 70.286 68.868 -0.465 0.000 0.968 129 T HN 0.391 nan 8.240 nan 0.000 0.446 130 S N 2.781 118.123 115.700 -0.598 0.000 2.399 130 S HA 0.658 5.106 4.470 -0.037 0.000 0.215 130 S C -1.532 172.468 174.600 -1.000 0.000 1.456 130 S CA -0.699 57.118 58.200 -0.637 0.000 1.199 130 S CB -0.654 62.227 63.200 -0.530 0.000 1.063 130 S HN 0.599 nan 8.310 nan 0.000 0.476 131 F N 1.446 121.258 119.950 -0.229 0.000 2.613 131 F HA 0.515 5.020 4.527 -0.037 0.000 0.310 131 F C 1.163 176.957 175.800 -0.011 0.000 1.085 131 F CA -1.060 56.882 58.000 -0.097 0.000 0.945 131 F CB 1.026 39.970 39.000 -0.093 0.000 1.298 131 F HN 0.230 nan 8.300 nan 0.000 0.455 132 I N 0.772 121.468 120.570 0.212 0.000 2.163 132 I HA -0.268 3.880 4.170 -0.037 0.000 0.243 132 I C 1.012 177.318 176.117 0.315 0.000 1.085 132 I CA 1.491 62.909 61.300 0.197 0.000 1.347 132 I CB -0.538 37.521 38.000 0.099 0.000 1.044 132 I HN 0.753 nan 8.210 nan 0.000 0.408 133 S N -0.261 115.618 115.700 0.299 0.000 3.436 133 S HA -0.106 4.342 4.470 -0.037 0.000 0.393 133 S C -1.325 173.351 174.600 0.128 0.000 0.914 133 S CA 0.406 58.798 58.200 0.320 0.000 1.317 133 S CB -1.752 61.856 63.200 0.680 0.000 0.920 133 S HN 0.389 nan 8.310 nan 0.000 0.564 134 P HA 0.108 nan 4.420 nan 0.000 0.245 134 P C -0.063 176.835 177.300 -0.669 0.000 1.206 134 P CA 0.535 63.331 63.100 -0.507 0.000 0.781 134 P CB -0.121 31.269 31.700 -0.516 0.000 0.994 135 Y N -0.494 119.745 120.300 -0.102 0.000 2.326 135 Y HA 0.203 4.731 4.550 -0.037 0.000 0.337 135 Y C 2.049 177.869 175.900 -0.134 0.000 1.023 135 Y CA -0.565 57.461 58.100 -0.123 0.000 1.143 135 Y CB 0.834 39.252 38.460 -0.069 0.000 1.183 135 Y HN -0.305 nan 8.280 nan 0.000 0.485 136 T N 1.075 115.624 114.554 -0.008 0.000 2.803 136 T HA -0.265 4.063 4.350 -0.037 0.000 0.269 136 T C 1.824 176.495 174.700 -0.049 0.000 1.052 136 T CA 1.951 64.012 62.100 -0.066 0.000 1.136 136 T CB -0.040 68.782 68.868 -0.078 0.000 0.864 136 T HN 0.767 nan 8.240 nan 0.000 0.467 137 Q N 0.561 120.353 119.800 -0.013 0.000 2.089 137 Q HA -0.121 4.197 4.340 -0.037 0.000 0.195 137 Q C 1.594 177.557 176.000 -0.062 0.000 0.963 137 Q CA 1.269 57.043 55.803 -0.048 0.000 0.834 137 Q CB -0.062 28.642 28.738 -0.056 0.000 0.906 137 Q HN 0.342 nan 8.270 nan 0.000 0.452 138 D N 1.061 121.454 120.400 -0.011 0.000 2.092 138 D HA -0.178 4.440 4.640 -0.037 0.000 0.193 138 D C 2.093 178.311 176.300 -0.137 0.000 0.994 138 D CA 1.398 55.382 54.000 -0.028 0.000 0.828 138 D CB -0.258 40.588 40.800 0.076 0.000 0.963 138 D HN 0.340 nan 8.370 nan 0.000 0.450 139 R N 0.620 121.032 120.500 -0.146 0.000 2.103 139 R HA -0.111 4.207 4.340 -0.037 0.000 0.242 139 R C 1.904 177.988 176.300 -0.361 0.000 1.142 139 R CA 1.139 57.033 56.100 -0.343 0.000 0.960 139 R CB -0.425 29.745 30.300 -0.216 0.000 0.858 139 R HN 0.233 nan 8.270 nan 0.000 0.439 140 N N 0.703 119.263 118.700 -0.234 0.000 2.223 140 N HA -0.177 4.541 4.740 -0.037 0.000 0.185 140 N C 1.385 176.725 175.510 -0.282 0.000 1.016 140 N CA 0.933 53.838 53.050 -0.242 0.000 0.863 140 N CB -0.630 37.763 38.487 -0.157 0.000 0.983 140 N HN 0.392 nan 8.380 nan 0.000 0.429 141 N N 0.972 119.531 118.700 -0.236 0.000 2.120 141 N HA -0.093 4.625 4.740 -0.037 0.000 0.188 141 N C 1.504 176.845 175.510 -0.282 0.000 1.024 141 N CA 1.169 54.091 53.050 -0.212 0.000 0.852 141 N CB 0.075 38.473 38.487 -0.148 0.000 1.003 141 N HN 0.179 nan 8.380 nan 0.000 0.424 142 A N 1.557 124.148 122.820 -0.382 0.000 1.930 142 A HA -0.118 4.179 4.320 -0.037 0.000 0.217 142 A C 2.250 179.483 177.584 -0.586 0.000 1.175 142 A CA 0.874 52.670 52.037 -0.402 0.000 0.627 142 A CB -0.596 18.020 19.000 -0.641 0.000 0.815 142 A HN 0.351 nan 8.150 nan 0.000 0.443 143 R N 0.019 119.884 120.500 -1.057 0.000 2.081 143 R HA -0.218 4.100 4.340 -0.037 0.000 0.235 143 R C 2.477 178.442 176.300 -0.558 0.000 1.131 143 R CA 1.892 57.160 56.100 -1.387 0.000 0.960 143 R CB -0.299 29.415 30.300 -0.977 0.000 0.856 143 R HN 0.813 nan 8.270 nan 0.000 0.436 144 Q N 0.200 119.783 119.800 -0.363 0.000 2.172 144 Q HA -0.127 4.191 4.340 -0.037 0.000 0.200 144 Q C 1.969 177.867 176.000 -0.170 0.000 0.964 144 Q CA 1.306 56.981 55.803 -0.212 0.000 0.855 144 Q CB -0.176 28.463 28.738 -0.165 0.000 0.918 144 Q HN 0.447 nan 8.270 nan 0.000 0.444 145 I N 0.718 121.171 120.570 -0.195 0.000 2.335 145 I HA -0.279 3.869 4.170 -0.037 0.000 0.251 145 I C 1.774 177.774 176.117 -0.195 0.000 1.129 145 I CA 1.581 62.764 61.300 -0.196 0.000 1.402 145 I CB -0.105 37.753 38.000 -0.237 0.000 1.069 145 I HN 0.338 nan 8.210 nan 0.000 0.424 146 H N -0.164 118.828 119.070 -0.131 0.000 2.344 146 H HA -0.028 4.506 4.556 -0.037 0.000 0.307 146 H C 2.143 177.439 175.328 -0.053 0.000 1.057 146 H CA 1.056 57.076 56.048 -0.046 0.000 1.373 146 H CB 0.053 29.825 29.762 0.016 0.000 1.421 146 H HN 0.215 nan 8.280 nan 0.000 0.532 147 E N 0.191 120.406 120.200 0.025 0.000 2.085 147 E HA -0.175 4.152 4.350 -0.037 0.000 0.194 147 E C 2.474 179.063 176.600 -0.017 0.000 0.994 147 E CA 0.921 57.314 56.400 -0.011 0.000 0.801 147 E CB -0.332 29.334 29.700 -0.057 0.000 0.743 147 E HN 0.568 nan 8.360 nan 0.000 0.453 148 G N 1.097 109.872 108.800 -0.042 0.000 2.485 148 G HA2 -0.231 3.707 3.960 -0.037 0.000 0.221 148 G HA3 -0.231 3.707 3.960 -0.037 0.000 0.221 148 G C 1.317 176.199 174.900 -0.029 0.000 1.115 148 G CA 0.857 45.931 45.100 -0.042 0.000 0.751 148 G HN 0.344 nan 8.290 nan 0.000 0.567 149 A N -0.897 121.913 122.820 -0.018 0.000 2.545 149 A HA 0.610 4.908 4.320 -0.037 0.000 0.277 149 A C 1.308 178.904 177.584 0.021 0.000 1.301 149 A CA 0.922 52.953 52.037 -0.009 0.000 0.935 149 A CB 0.033 19.020 19.000 -0.022 0.000 1.093 149 A HN 0.583 nan 8.150 nan 0.000 0.519 150 S N -1.600 114.118 115.700 0.029 0.000 3.490 150 S HA -0.135 4.313 4.470 -0.037 0.000 0.301 150 S C -0.015 174.642 174.600 0.094 0.000 1.233 150 S CA 0.895 59.120 58.200 0.042 0.000 0.914 150 S CB -1.875 61.334 63.200 0.016 0.000 1.047 150 S HN 0.575 nan 8.310 nan 0.000 0.602 151 L N 1.925 123.229 121.223 0.136 0.000 2.282 151 L HA 0.445 4.763 4.340 -0.037 0.000 0.288 151 L C -1.970 174.969 176.870 0.114 0.000 1.033 151 L CA -2.331 52.628 54.840 0.199 0.000 0.807 151 L CB 0.740 42.987 42.059 0.313 0.000 1.209 151 L HN -0.087 nan 8.230 nan 0.000 0.423 152 P HA -0.009 nan 4.420 nan 0.000 0.267 152 P C -1.075 176.015 177.300 -0.350 0.000 1.200 152 P CA 0.228 63.207 63.100 -0.202 0.000 0.772 152 P CB 0.376 31.958 31.700 -0.197 0.000 0.855 153 F N 3.286 122.785 119.950 -0.752 0.000 2.562 153 F HA 0.526 5.031 4.527 -0.037 0.000 0.319 153 F C -1.521 173.876 175.800 -0.671 0.000 1.154 153 F CA -0.859 56.775 58.000 -0.611 0.000 0.931 153 F CB 1.004 39.794 39.000 -0.349 0.000 1.198 153 F HN 0.090 nan 8.300 nan 0.000 0.444 154 F N 4.535 124.260 119.950 -0.374 0.000 2.460 154 F HA 0.318 4.823 4.527 -0.037 0.000 0.341 154 F C -0.120 175.513 175.800 -0.278 0.000 1.130 154 F CA -0.781 57.107 58.000 -0.186 0.000 0.962 154 F CB 1.668 40.603 39.000 -0.109 0.000 1.171 154 F HN 0.422 nan 8.300 nan 0.000 0.436 155 E N 3.584 123.817 120.200 0.055 0.000 2.130 155 E HA 0.466 4.794 4.350 -0.037 0.000 0.284 155 E C -1.411 175.305 176.600 0.192 0.000 1.018 155 E CA -0.429 56.044 56.400 0.122 0.000 0.817 155 E CB 1.114 30.946 29.700 0.219 0.000 1.078 155 E HN 0.426 nan 8.360 nan 0.000 0.396 156 V N 6.331 126.369 119.914 0.208 0.000 2.378 156 V HA 0.204 4.301 4.120 -0.037 0.000 0.288 156 V C -0.540 175.715 176.094 0.269 0.000 1.016 156 V CA -0.797 61.610 62.300 0.178 0.000 0.840 156 V CB 0.864 32.736 31.823 0.080 0.000 0.994 156 V HN 0.608 nan 8.190 nan 0.000 0.431 157 F N 6.537 126.545 119.950 0.097 0.000 2.405 157 F HA 0.441 4.946 4.527 -0.037 0.000 0.358 157 F C 0.192 176.020 175.800 0.047 0.000 1.151 157 F CA -1.099 56.965 58.000 0.108 0.000 1.161 157 F CB 0.947 40.017 39.000 0.117 0.000 1.245 157 F HN 0.262 nan 8.300 nan 0.000 0.545 158 V N 6.156 126.074 119.914 0.006 0.000 2.352 158 V HA 0.058 4.156 4.120 -0.037 0.000 0.253 158 V C -0.168 175.665 176.094 -0.434 0.000 1.083 158 V CA -0.242 61.947 62.300 -0.185 0.000 0.993 158 V CB 0.296 32.070 31.823 -0.081 0.000 1.111 158 V HN 0.539 nan 8.190 nan 0.000 0.490 159 D N 4.673 124.655 120.400 -0.696 0.000 2.454 159 D HA 0.619 5.237 4.640 -0.037 0.000 0.225 159 D C -0.181 175.889 176.300 -0.382 0.000 1.081 159 D CA -0.029 53.430 54.000 -0.901 0.000 0.864 159 D CB 1.407 41.456 40.800 -1.252 0.000 1.040 159 D HN 0.623 nan 8.370 nan 0.000 0.517 160 A N 4.127 126.801 122.820 -0.244 0.000 2.386 160 A HA 0.736 5.034 4.320 -0.037 0.000 0.311 160 A C -2.665 174.871 177.584 -0.080 0.000 1.068 160 A CA -1.539 50.420 52.037 -0.129 0.000 0.743 160 A CB 1.297 20.239 19.000 -0.097 0.000 1.258 160 A HN 0.400 nan 8.150 nan 0.000 0.429 161 P HA 0.057 nan 4.420 nan 0.000 0.271 161 P C 1.270 178.571 177.300 0.001 0.000 1.218 161 P CA -0.567 62.515 63.100 -0.031 0.000 0.780 161 P CB 0.609 32.265 31.700 -0.073 0.000 0.901 162 L N 3.487 124.701 121.223 -0.015 0.000 2.043 162 L HA -0.236 4.082 4.340 -0.037 0.000 0.212 162 L C 2.182 179.050 176.870 -0.004 0.000 1.075 162 L CA 2.410 57.253 54.840 0.005 0.000 0.752 162 L CB -1.021 41.065 42.059 0.045 0.000 0.891 162 L HN 0.650 nan 8.230 nan 0.000 0.432 163 H N -2.133 116.884 119.070 -0.087 0.000 2.387 163 H HA -0.111 4.422 4.556 -0.037 0.000 0.299 163 H C 2.097 177.339 175.328 -0.144 0.000 1.090 163 H CA 1.235 57.217 56.048 -0.110 0.000 1.332 163 H CB -0.544 29.179 29.762 -0.064 0.000 1.386 163 H HN 0.213 nan 8.280 nan 0.000 0.516 164 V N 1.091 121.114 119.914 0.181 0.000 2.295 164 V HA -0.300 3.798 4.120 -0.037 0.000 0.246 164 V C 2.914 178.939 176.094 -0.115 0.000 1.049 164 V CA 1.670 63.953 62.300 -0.030 0.000 1.024 164 V CB -0.608 31.236 31.823 0.035 0.000 0.648 164 V HN 0.694 nan 8.190 nan 0.000 0.447 165 C N -0.421 118.799 119.300 -0.134 0.000 2.413 165 C HA -0.165 4.273 4.460 -0.037 0.000 0.277 165 C C 2.674 177.394 174.990 -0.450 0.000 1.265 165 C CA 1.023 59.919 59.018 -0.203 0.000 1.752 165 C CB -0.992 26.669 27.740 -0.132 0.000 1.998 165 C HN 0.612 nan 8.230 nan 0.000 0.489 166 E N 0.060 119.850 120.200 -0.682 0.000 2.047 166 E HA -0.251 4.076 4.350 -0.037 0.000 0.191 166 E C 2.176 178.612 176.600 -0.274 0.000 0.987 166 E CA 1.096 57.095 56.400 -0.668 0.000 0.799 166 E CB -0.258 29.154 29.700 -0.481 0.000 0.752 166 E HN 0.581 nan 8.360 nan 0.000 0.449 167 Q N 0.685 120.358 119.800 -0.211 0.000 2.065 167 Q HA -0.262 4.056 4.340 -0.037 0.000 0.213 167 Q C 2.090 178.024 176.000 -0.111 0.000 1.012 167 Q CA 2.369 58.082 55.803 -0.150 0.000 0.876 167 Q CB -0.043 28.597 28.738 -0.163 0.000 0.954 167 Q HN 0.145 nan 8.270 nan 0.000 0.413 168 R N -0.037 120.400 120.500 -0.104 0.000 2.092 168 R HA -0.086 4.232 4.340 -0.037 0.000 0.231 168 R C 0.585 176.869 176.300 -0.025 0.000 1.119 168 R CA 0.747 56.813 56.100 -0.057 0.000 0.970 168 R CB -0.299 29.976 30.300 -0.042 0.000 0.864 168 R HN 0.259 nan 8.270 nan 0.000 0.440 169 D N 0.850 121.244 120.400 -0.009 0.000 2.827 169 D HA -0.157 4.460 4.640 -0.037 0.000 0.217 169 D C 0.880 177.214 176.300 0.058 0.000 1.233 169 D CA 0.387 54.435 54.000 0.080 0.000 0.618 169 D CB -0.522 40.312 40.800 0.057 0.000 0.984 169 D HN 0.043 nan 8.370 nan 0.000 0.399 170 V N 0.627 120.576 119.914 0.059 0.000 2.546 170 V HA -0.222 3.876 4.120 -0.037 0.000 0.254 170 V C 2.032 178.140 176.094 0.023 0.000 1.076 170 V CA 2.217 64.534 62.300 0.028 0.000 1.087 170 V CB -0.056 31.782 31.823 0.024 0.000 0.674 170 V HN 0.404 nan 8.190 nan 0.000 0.470 171 K N -1.478 118.944 120.400 0.036 0.000 2.402 171 K HA 0.298 4.595 4.320 -0.037 0.000 0.204 171 K C 1.088 177.685 176.600 -0.006 0.000 1.056 171 K CA 0.603 56.898 56.287 0.014 0.000 1.069 171 K CB 0.875 33.387 32.500 0.020 0.000 0.888 171 K HN 0.576 nan 8.250 nan 0.000 0.546 172 G N 1.807 110.605 108.800 -0.004 0.000 2.160 172 G HA2 -0.225 3.712 3.960 -0.037 0.000 0.251 172 G HA3 -0.225 3.712 3.960 -0.037 0.000 0.251 172 G C 0.514 175.361 174.900 -0.088 0.000 1.008 172 G CA 0.006 45.088 45.100 -0.030 0.000 0.724 172 G HN 0.134 nan 8.290 nan 0.000 0.514 173 L N -1.318 119.824 121.223 -0.135 0.000 2.127 173 L HA 0.280 4.597 4.340 -0.037 0.000 0.203 173 L C 2.550 179.003 176.870 -0.694 0.000 1.080 173 L CA 1.498 56.102 54.840 -0.393 0.000 0.768 173 L CB -1.279 40.539 42.059 -0.401 0.000 0.924 173 L HN 0.377 nan 8.230 nan 0.000 0.444 174 Y N 0.716 120.721 120.300 -0.493 0.000 2.274 174 Y HA -0.261 4.266 4.550 -0.037 0.000 0.290 174 Y C 2.542 178.276 175.900 -0.277 0.000 1.145 174 Y CA 1.849 59.687 58.100 -0.436 0.000 1.203 174 Y CB -0.260 38.097 38.460 -0.172 0.000 0.984 174 Y HN 0.267 nan 8.280 nan 0.000 0.533 175 K N 0.707 121.075 120.400 -0.053 0.000 2.044 175 K HA -0.150 4.147 4.320 -0.037 0.000 0.204 175 K C 1.974 178.512 176.600 -0.102 0.000 1.049 175 K CA 1.392 57.646 56.287 -0.054 0.000 0.945 175 K CB -0.318 32.162 32.500 -0.033 0.000 0.724 175 K HN 0.004 nan 8.250 nan 0.000 0.440 176 K N -0.007 120.307 120.400 -0.143 0.000 2.366 176 K HA -0.136 4.161 4.320 -0.037 0.000 0.202 176 K C 1.547 178.034 176.600 -0.188 0.000 1.045 176 K CA 1.409 57.603 56.287 -0.155 0.000 0.934 176 K CB -0.068 32.330 32.500 -0.169 0.000 0.746 176 K HN 0.443 nan 8.250 nan 0.000 0.470 177 A N -0.742 121.923 122.820 -0.259 0.000 2.259 177 A HA 0.142 4.439 4.320 -0.037 0.000 0.213 177 A C 1.559 179.079 177.584 -0.105 0.000 1.209 177 A CA -0.221 51.677 52.037 -0.231 0.000 0.910 177 A CB 0.214 18.935 19.000 -0.465 0.000 0.946 177 A HN 0.009 nan 8.150 nan 0.000 0.497 178 R N 0.257 120.713 120.500 -0.073 0.000 2.090 178 R HA 0.065 4.383 4.340 -0.037 0.000 0.228 178 R C 2.060 178.349 176.300 -0.018 0.000 1.110 178 R CA 1.235 57.325 56.100 -0.016 0.000 0.973 178 R CB -1.030 29.271 30.300 0.003 0.000 0.869 178 R HN 0.439 nan 8.270 nan 0.000 0.440 179 A N 0.936 123.736 122.820 -0.033 0.000 2.259 179 A HA 0.135 4.432 4.320 -0.037 0.000 0.212 179 A C 0.985 178.555 177.584 -0.023 0.000 1.178 179 A CA 0.957 52.978 52.037 -0.027 0.000 0.734 179 A CB -0.827 18.152 19.000 -0.035 0.000 0.774 179 A HN 0.455 nan 8.150 nan 0.000 0.481 180 G N -1.074 107.712 108.800 -0.024 0.000 2.960 180 G HA2 -0.117 3.821 3.960 -0.037 0.000 0.267 180 G HA3 -0.117 3.821 3.960 -0.037 0.000 0.267 180 G C 0.287 175.169 174.900 -0.029 0.000 1.492 180 G CA 0.748 45.838 45.100 -0.017 0.000 0.953 180 G HN 1.651 nan 8.290 nan 0.000 0.555 181 E N -2.643 117.545 120.200 -0.021 0.000 4.168 181 E HA -0.181 4.146 4.350 -0.037 0.000 0.417 181 E C 0.095 176.672 176.600 -0.039 0.000 0.522 181 E CA 1.077 57.461 56.400 -0.028 0.000 1.502 181 E CB -1.365 28.311 29.700 -0.039 0.000 1.951 181 E HN 1.148 nan 8.360 nan 0.000 0.360 182 I N 1.717 122.257 120.570 -0.049 0.000 2.466 182 I HA 0.316 4.463 4.170 -0.037 0.000 0.289 182 I C 0.628 176.755 176.117 0.017 0.000 1.026 182 I CA -0.619 60.658 61.300 -0.038 0.000 1.078 182 I CB 1.323 39.254 38.000 -0.114 0.000 1.249 182 I HN 0.185 nan 8.210 nan 0.000 0.429 183 K N 3.113 123.538 120.400 0.042 0.000 2.647 183 K HA -0.242 4.055 4.320 -0.037 0.000 0.113 183 K C 0.595 177.254 176.600 0.098 0.000 1.099 183 K CA 1.731 58.064 56.287 0.076 0.000 0.827 183 K CB -0.139 32.411 32.500 0.084 0.000 0.418 183 K HN 0.852 nan 8.250 nan 0.000 1.074 184 G N 0.848 109.715 108.800 0.113 0.000 3.727 184 G HA2 0.280 4.218 3.960 -0.037 0.000 0.301 184 G HA3 0.280 4.218 3.960 -0.037 0.000 0.301 184 G C -0.724 174.251 174.900 0.124 0.000 1.128 184 G CA -0.513 44.658 45.100 0.118 0.000 1.545 184 G HN 0.376 nan 8.290 nan 0.000 0.555 185 F N 3.042 122.973 119.950 -0.033 0.000 2.578 185 F HA 0.255 4.760 4.527 -0.037 0.000 0.376 185 F C 1.449 177.227 175.800 -0.036 0.000 1.085 185 F CA 0.030 57.975 58.000 -0.092 0.000 1.260 185 F CB 0.961 39.859 39.000 -0.170 0.000 1.095 185 F HN 0.287 nan 8.300 nan 0.000 0.573 186 T N 3.817 118.099 114.554 -0.453 0.000 2.932 186 T HA 0.387 4.715 4.350 -0.037 0.000 0.312 186 T C 1.191 175.875 174.700 -0.028 0.000 1.071 186 T CA 0.367 62.354 62.100 -0.188 0.000 1.128 186 T CB 0.754 69.522 68.868 -0.167 0.000 0.984 186 T HN 1.392 nan 8.240 nan 0.000 0.549 187 G N 3.262 112.134 108.800 0.120 0.000 2.458 187 G HA2 -0.272 3.666 3.960 -0.037 0.000 0.237 187 G HA3 -0.272 3.666 3.960 -0.037 0.000 0.237 187 G C 0.792 175.827 174.900 0.225 0.000 1.113 187 G CA 0.588 45.811 45.100 0.207 0.000 0.655 187 G HN 0.756 nan 8.290 nan 0.000 0.513 188 I N -0.080 120.643 120.570 0.256 0.000 3.649 188 I HA 0.219 4.367 4.170 -0.037 0.000 0.234 188 I C 2.154 178.365 176.117 0.156 0.000 1.053 188 I CA 0.874 62.304 61.300 0.217 0.000 1.538 188 I CB -0.204 37.947 38.000 0.251 0.000 1.445 188 I HN 0.007 nan 8.210 nan 0.000 0.464 189 D N 0.559 121.053 120.400 0.157 0.000 2.201 189 D HA 0.023 4.640 4.640 -0.037 0.000 0.209 189 D C 0.928 177.294 176.300 0.110 0.000 0.961 189 D CA 0.848 54.919 54.000 0.119 0.000 0.861 189 D CB 0.156 41.022 40.800 0.110 0.000 0.997 189 D HN 0.300 nan 8.370 nan 0.000 0.486 190 S N 0.573 116.338 115.700 0.109 0.000 2.722 190 S HA 0.377 4.825 4.470 -0.037 0.000 0.292 190 S C 0.047 174.708 174.600 0.102 0.000 1.135 190 S CA -0.928 57.336 58.200 0.108 0.000 1.003 190 S CB 2.216 65.489 63.200 0.121 0.000 1.067 190 S HN -0.155 nan 8.310 nan 0.000 0.546 191 E N 0.452 120.723 120.200 0.118 0.000 2.343 191 E HA 0.222 4.549 4.350 -0.037 0.000 0.269 191 E C -1.406 175.222 176.600 0.047 0.000 1.047 191 E CA -0.224 56.239 56.400 0.105 0.000 0.874 191 E CB 0.604 30.375 29.700 0.118 0.000 1.033 191 E HN 0.728 nan 8.360 nan 0.000 0.409 192 Y N 1.182 121.471 120.300 -0.019 0.000 2.328 192 Y HA 0.179 4.707 4.550 -0.037 0.000 0.333 192 Y C -0.469 175.415 175.900 -0.028 0.000 0.958 192 Y CA -0.638 57.429 58.100 -0.055 0.000 1.167 192 Y CB 0.978 39.432 38.460 -0.009 0.000 1.151 192 Y HN 0.338 nan 8.280 nan 0.000 0.470 193 E N 5.908 125.705 120.200 -0.672 0.000 2.115 193 E HA 0.232 4.560 4.350 -0.037 0.000 0.282 193 E C -0.855 175.377 176.600 -0.614 0.000 0.987 193 E CA -0.867 55.289 56.400 -0.406 0.000 0.797 193 E CB 1.256 30.822 29.700 -0.223 0.000 1.086 193 E HN 0.538 nan 8.360 nan 0.000 0.397 194 K N 3.466 123.705 120.400 -0.268 0.000 2.414 194 K HA 0.095 4.393 4.320 -0.037 0.000 0.272 194 K C -2.183 174.173 176.600 -0.406 0.000 0.993 194 K CA -1.340 54.743 56.287 -0.340 0.000 0.964 194 K CB -0.039 32.360 32.500 -0.167 0.000 0.925 194 K HN 0.275 nan 8.250 nan 0.000 0.487 195 P HA -0.057 nan 4.420 nan 0.000 0.266 195 P C -0.144 177.066 177.300 -0.150 0.000 1.195 195 P CA 0.240 63.179 63.100 -0.267 0.000 0.768 195 P CB 0.609 32.191 31.700 -0.196 0.000 0.838 196 E N 1.958 122.114 120.200 -0.074 0.000 2.086 196 E HA 0.035 4.363 4.350 -0.037 0.000 0.190 196 E C 0.492 177.097 176.600 0.009 0.000 0.975 196 E CA 0.898 57.281 56.400 -0.028 0.000 0.813 196 E CB 0.086 29.770 29.700 -0.027 0.000 0.768 196 E HN 0.470 nan 8.360 nan 0.000 0.457 197 A N 2.678 125.510 122.820 0.019 0.000 3.317 197 A HA 0.293 4.591 4.320 -0.037 0.000 0.307 197 A C -2.440 175.189 177.584 0.074 0.000 1.003 197 A CA -1.151 50.915 52.037 0.047 0.000 0.882 197 A CB 0.085 19.107 19.000 0.037 0.000 1.136 197 A HN -0.028 nan 8.150 nan 0.000 0.488 198 P HA 0.198 nan 4.420 nan 0.000 0.272 198 P C 0.264 177.648 177.300 0.140 0.000 1.223 198 P CA 0.118 63.304 63.100 0.143 0.000 0.784 198 P CB 1.171 32.993 31.700 0.204 0.000 0.923 199 E N -0.144 120.152 120.200 0.159 0.000 2.204 199 E HA 0.019 4.347 4.350 -0.037 0.000 0.194 199 E C 0.282 176.948 176.600 0.111 0.000 0.989 199 E CA 0.970 57.462 56.400 0.152 0.000 0.824 199 E CB -0.132 29.704 29.700 0.226 0.000 0.756 199 E HN 0.242 nan 8.360 nan 0.000 0.477 200 L N -1.106 120.188 121.223 0.118 0.000 2.545 200 L HA 0.357 4.674 4.340 -0.037 0.000 0.258 200 L C -1.787 175.152 176.870 0.115 0.000 0.942 200 L CA -0.804 54.084 54.840 0.079 0.000 0.855 200 L CB 2.184 44.260 42.059 0.028 0.000 1.374 200 L HN -0.322 nan 8.230 nan 0.000 0.411 201 V N 5.387 125.349 119.914 0.081 0.000 2.378 201 V HA 0.458 4.556 4.120 -0.037 0.000 0.288 201 V C -0.247 175.818 176.094 -0.049 0.000 1.016 201 V CA -0.472 61.861 62.300 0.055 0.000 0.840 201 V CB 1.426 33.299 31.823 0.083 0.000 0.994 201 V HN 0.561 nan 8.190 nan 0.000 0.431 202 L N 5.882 127.038 121.223 -0.111 0.000 2.261 202 L HA 0.466 4.784 4.340 -0.037 0.000 0.289 202 L C 0.466 177.229 176.870 -0.177 0.000 1.059 202 L CA -0.500 54.266 54.840 -0.124 0.000 0.816 202 L CB 0.770 42.763 42.059 -0.109 0.000 1.191 202 L HN 0.464 nan 8.230 nan 0.000 0.431 203 K N 2.698 123.017 120.400 -0.135 0.000 2.150 203 K HA 0.108 4.406 4.320 -0.037 0.000 0.261 203 K C 1.167 177.701 176.600 -0.111 0.000 1.127 203 K CA -0.095 56.110 56.287 -0.137 0.000 0.989 203 K CB 0.733 33.178 32.500 -0.093 0.000 1.475 203 K HN 0.624 nan 8.250 nan 0.000 0.391 204 T N -2.369 112.109 114.554 -0.127 0.000 3.160 204 T HA -0.073 4.254 4.350 -0.037 0.000 0.257 204 T C 1.056 175.712 174.700 -0.074 0.000 1.147 204 T CA 0.608 62.650 62.100 -0.097 0.000 1.064 204 T CB 0.040 68.847 68.868 -0.102 0.000 0.949 204 T HN 0.255 nan 8.240 nan 0.000 0.526 205 D N 0.540 120.900 120.400 -0.067 0.000 2.360 205 D HA 0.145 4.762 4.640 -0.037 0.000 0.210 205 D C 1.244 177.521 176.300 -0.038 0.000 1.047 205 D CA 0.036 54.008 54.000 -0.046 0.000 0.854 205 D CB 0.161 40.944 40.800 -0.029 0.000 0.936 205 D HN 0.365 nan 8.370 nan 0.000 0.514 206 S N -0.717 114.957 115.700 -0.044 0.000 2.730 206 S HA 0.259 4.706 4.470 -0.037 0.000 0.244 206 S C -0.122 174.455 174.600 -0.038 0.000 1.022 206 S CA -0.444 57.734 58.200 -0.036 0.000 1.014 206 S CB 0.231 63.410 63.200 -0.033 0.000 0.963 206 S HN 0.492 nan 8.310 nan 0.000 0.540 207 C N 0.773 120.046 119.300 -0.044 0.000 3.311 207 C HA 0.804 5.241 4.460 -0.037 0.000 0.325 207 C C -1.306 173.657 174.990 -0.045 0.000 1.352 207 C CA -1.153 57.839 59.018 -0.044 0.000 1.308 207 C CB 1.001 28.711 27.740 -0.050 0.000 1.619 207 C HN 0.365 nan 8.230 nan 0.000 0.469 208 D N 0.919 121.295 120.400 -0.041 0.000 2.529 208 D HA 0.461 5.079 4.640 -0.037 0.000 0.273 208 D C 1.041 177.314 176.300 -0.046 0.000 1.197 208 D CA -0.588 53.388 54.000 -0.040 0.000 1.070 208 D CB 0.552 41.333 40.800 -0.031 0.000 1.134 208 D HN 0.346 nan 8.370 nan 0.000 0.590 209 V N 0.575 120.464 119.914 -0.042 0.000 2.307 209 V HA -0.228 3.870 4.120 -0.037 0.000 0.245 209 V C 2.088 178.153 176.094 -0.049 0.000 1.045 209 V CA 2.095 64.367 62.300 -0.047 0.000 1.024 209 V CB -1.272 30.526 31.823 -0.041 0.000 0.651 209 V HN 0.535 nan 8.190 nan 0.000 0.449 210 N N 0.274 118.952 118.700 -0.037 0.000 2.091 210 N HA -0.239 4.479 4.740 -0.037 0.000 0.193 210 N C 1.482 176.959 175.510 -0.055 0.000 1.021 210 N CA 1.685 54.713 53.050 -0.037 0.000 0.862 210 N CB -0.223 38.252 38.487 -0.021 0.000 1.018 210 N HN 0.501 nan 8.380 nan 0.000 0.429 211 D N 0.326 120.695 120.400 -0.052 0.000 2.123 211 D HA -0.107 4.511 4.640 -0.037 0.000 0.196 211 D C 2.016 178.271 176.300 -0.075 0.000 0.992 211 D CA 0.755 54.720 54.000 -0.059 0.000 0.833 211 D CB -0.579 40.191 40.800 -0.050 0.000 0.954 211 D HN 0.365 nan 8.370 nan 0.000 0.455 212 C N 0.265 119.519 119.300 -0.077 0.000 2.436 212 C HA -0.081 4.357 4.460 -0.037 0.000 0.277 212 C C 2.981 177.902 174.990 -0.114 0.000 1.241 212 C CA 0.187 59.151 59.018 -0.090 0.000 1.721 212 C CB -0.869 26.820 27.740 -0.085 0.000 2.043 212 C HN 0.167 nan 8.230 nan 0.000 0.472 213 V N 0.886 120.728 119.914 -0.120 0.000 2.324 213 V HA -0.319 3.779 4.120 -0.037 0.000 0.250 213 V C 2.484 178.439 176.094 -0.233 0.000 1.060 213 V CA 2.440 64.637 62.300 -0.171 0.000 1.042 213 V CB -0.927 30.810 31.823 -0.144 0.000 0.650 213 V HN 0.682 nan 8.190 nan 0.000 0.450 214 Q N -0.536 119.156 119.800 -0.179 0.000 2.046 214 Q HA -0.246 4.072 4.340 -0.037 0.000 0.200 214 Q C 2.343 178.239 176.000 -0.174 0.000 0.975 214 Q CA 1.785 57.477 55.803 -0.186 0.000 0.836 214 Q CB -0.163 28.505 28.738 -0.116 0.000 0.896 214 Q HN 0.679 nan 8.270 nan 0.000 0.428 215 Q N -0.379 119.340 119.800 -0.135 0.000 2.112 215 Q HA -0.177 4.141 4.340 -0.037 0.000 0.206 215 Q C 2.191 178.102 176.000 -0.148 0.000 0.987 215 Q CA 1.947 57.679 55.803 -0.119 0.000 0.858 215 Q CB 0.022 28.704 28.738 -0.092 0.000 0.905 215 Q HN 0.308 nan 8.270 nan 0.000 0.420 216 V N -0.173 119.637 119.914 -0.172 0.000 2.283 216 V HA -0.215 3.883 4.120 -0.037 0.000 0.243 216 V C 2.266 178.204 176.094 -0.261 0.000 1.039 216 V CA 1.372 63.551 62.300 -0.201 0.000 1.016 216 V CB -0.546 31.165 31.823 -0.187 0.000 0.650 216 V HN 0.173 nan 8.190 nan 0.000 0.449 217 V N 0.037 119.756 119.914 -0.324 0.000 2.324 217 V HA -0.342 3.755 4.120 -0.037 0.000 0.250 217 V C 2.435 178.368 176.094 -0.267 0.000 1.060 217 V CA 2.348 64.412 62.300 -0.394 0.000 1.042 217 V CB -0.701 30.708 31.823 -0.690 0.000 0.650 217 V HN 0.628 nan 8.190 nan 0.000 0.450 218 E N -0.650 119.419 120.200 -0.218 0.000 2.204 218 E HA -0.201 4.127 4.350 -0.037 0.000 0.194 218 E C 2.049 178.558 176.600 -0.152 0.000 0.989 218 E CA 1.046 57.353 56.400 -0.155 0.000 0.824 218 E CB -0.128 29.501 29.700 -0.120 0.000 0.756 218 E HN 0.483 nan 8.360 nan 0.000 0.477 219 L N 0.712 121.821 121.223 -0.191 0.000 2.005 219 L HA -0.144 4.174 4.340 -0.037 0.000 0.207 219 L C 1.952 178.640 176.870 -0.302 0.000 1.072 219 L CA 1.612 56.316 54.840 -0.226 0.000 0.744 219 L CB -0.324 41.569 42.059 -0.276 0.000 0.895 219 L HN 0.094 nan 8.230 nan 0.000 0.433 220 L N -0.840 120.168 121.223 -0.358 0.000 2.265 220 L HA -0.198 4.120 4.340 -0.037 0.000 0.215 220 L C 2.554 179.322 176.870 -0.170 0.000 1.117 220 L CA 1.005 55.640 54.840 -0.342 0.000 0.782 220 L CB -0.589 41.307 42.059 -0.271 0.000 0.914 220 L HN 0.461 nan 8.230 nan 0.000 0.441 221 Q N -0.040 119.678 119.800 -0.137 0.000 2.062 221 Q HA -0.175 4.143 4.340 -0.037 0.000 0.196 221 Q C 2.058 178.025 176.000 -0.055 0.000 0.967 221 Q CA 1.177 56.933 55.803 -0.079 0.000 0.832 221 Q CB -0.003 28.690 28.738 -0.075 0.000 0.899 221 Q HN 0.504 nan 8.270 nan 0.000 0.442 222 E N 0.342 120.504 120.200 -0.064 0.000 2.171 222 E HA -0.164 4.164 4.350 -0.037 0.000 0.197 222 E C 1.265 177.863 176.600 -0.003 0.000 0.997 222 E CA 0.822 57.204 56.400 -0.031 0.000 0.810 222 E CB 0.131 29.812 29.700 -0.031 0.000 0.738 222 E HN 0.089 nan 8.360 nan 0.000 0.467 223 R N 0.655 121.147 120.500 -0.013 0.000 2.507 223 R HA 0.045 4.362 4.340 -0.037 0.000 0.298 223 R C -0.573 175.777 176.300 0.083 0.000 0.999 223 R CA 0.114 56.254 56.100 0.068 0.000 1.082 223 R CB 0.272 30.658 30.300 0.144 0.000 1.246 223 R HN 0.103 nan 8.270 nan 0.000 0.553 224 D N 0.447 120.870 120.400 0.038 0.000 2.870 224 D HA -0.180 4.437 4.640 -0.037 0.000 0.228 224 D C 0.754 177.087 176.300 0.054 0.000 1.147 224 D CA 0.568 54.596 54.000 0.046 0.000 0.757 224 D CB -0.705 40.131 40.800 0.060 0.000 1.091 224 D HN 0.202 nan 8.370 nan 0.000 0.429 225 I N -0.507 120.084 120.570 0.036 0.000 2.810 225 I HA 0.020 4.168 4.170 -0.037 0.000 0.262 225 I C 1.233 177.355 176.117 0.008 0.000 1.131 225 I CA 0.799 62.119 61.300 0.033 0.000 1.453 225 I CB 0.152 38.179 38.000 0.045 0.000 1.161 225 I HN -0.132 nan 8.210 nan 0.000 0.444 226 V N 4.071 123.980 119.914 -0.008 0.000 2.347 226 V HA 0.321 4.419 4.120 -0.037 0.000 0.280 226 V C -2.262 173.831 176.094 -0.002 0.000 1.021 226 V CA -1.537 60.765 62.300 0.002 0.000 0.847 226 V CB 1.362 33.186 31.823 0.002 0.000 0.990 226 V HN 0.064 nan 8.190 nan 0.000 0.444 227 P HA 0.151 nan 4.420 nan 0.000 0.271 227 P C -0.461 176.836 177.300 -0.006 0.000 1.218 227 P CA -0.172 62.929 63.100 0.002 0.000 0.780 227 P CB 0.631 32.335 31.700 0.007 0.000 0.901 228 V N 3.718 123.627 119.914 -0.009 0.000 2.338 228 V HA 0.054 4.152 4.120 -0.037 0.000 0.255 228 V C 0.353 176.439 176.094 -0.014 0.000 1.082 228 V CA -0.151 62.141 62.300 -0.013 0.000 0.951 228 V CB -0.591 31.222 31.823 -0.016 0.000 1.102 228 V HN 0.494 nan 8.190 nan 0.000 0.489 229 D N 3.639 124.032 120.400 -0.011 0.000 2.423 229 D HA 0.301 4.919 4.640 -0.037 0.000 0.238 229 D C 0.635 176.913 176.300 -0.037 0.000 1.142 229 D CA 0.293 54.284 54.000 -0.015 0.000 0.884 229 D CB 1.102 41.904 40.800 0.004 0.000 1.199 229 D HN 0.686 nan 8.370 nan 0.000 0.438 230 A N 1.707 124.491 122.820 -0.061 0.000 2.498 230 A HA 0.358 4.655 4.320 -0.037 0.000 0.239 230 A C 0.460 177.958 177.584 -0.143 0.000 1.068 230 A CA 0.146 52.122 52.037 -0.102 0.000 0.766 230 A CB 0.302 19.227 19.000 -0.125 0.000 1.003 230 A HN 0.344 nan 8.150 nan 0.000 0.497 231 S N 0.421 116.026 115.700 -0.158 0.000 2.570 231 S HA 0.562 5.009 4.470 -0.037 0.000 0.286 231 S C -0.135 174.353 174.600 -0.187 0.000 1.099 231 S CA -0.547 57.574 58.200 -0.132 0.000 0.913 231 S CB 0.691 63.869 63.200 -0.037 0.000 1.085 231 S HN 0.517 nan 8.310 nan 0.000 0.480 232 Y N 1.066 121.375 120.300 0.015 0.000 2.529 232 Y HA 0.243 4.771 4.550 -0.037 0.000 0.290 232 Y C 1.352 177.255 175.900 0.005 0.000 1.177 232 Y CA 0.019 58.128 58.100 0.015 0.000 1.305 232 Y CB 0.142 38.610 38.460 0.014 0.000 1.047 232 Y HN 0.639 nan 8.280 nan 0.000 0.522 233 E N 1.583 121.852 120.200 0.116 0.000 2.558 233 E HA -0.030 4.298 4.350 -0.037 0.000 0.255 233 E C -0.254 176.370 176.600 0.040 0.000 0.968 233 E CA -0.207 56.232 56.400 0.065 0.000 0.939 233 E CB 0.611 30.334 29.700 0.038 0.000 0.921 233 E HN -0.059 nan 8.360 nan 0.000 0.477 234 V N 5.674 125.598 119.914 0.017 0.000 2.694 234 V HA -0.084 4.013 4.120 -0.037 0.000 0.306 234 V C 0.674 176.759 176.094 -0.015 0.000 1.054 234 V CA 0.929 63.220 62.300 -0.015 0.000 1.161 234 V CB 0.599 32.383 31.823 -0.065 0.000 0.916 234 V HN 0.568 nan 8.190 nan 0.000 0.490 235 K N 4.931 125.320 120.400 -0.018 0.000 2.572 235 K HA 0.355 4.653 4.320 -0.037 0.000 0.244 235 K C -0.231 176.346 176.600 -0.039 0.000 0.965 235 K CA -0.436 55.839 56.287 -0.020 0.000 0.943 235 K CB 0.906 33.399 32.500 -0.011 0.000 1.154 235 K HN 0.785 nan 8.250 nan 0.000 0.447 236 E N 3.278 123.455 120.200 -0.039 0.000 2.373 236 E HA 0.129 4.457 4.350 -0.037 0.000 0.263 236 E C 0.472 177.028 176.600 -0.072 0.000 1.073 236 E CA -0.211 56.154 56.400 -0.060 0.000 0.894 236 E CB 1.118 30.831 29.700 0.022 0.000 1.008 236 E HN 0.518 nan 8.360 nan 0.000 0.420 237 L N 1.496 122.621 121.223 -0.163 0.000 2.808 237 L HA 0.209 4.526 4.340 -0.037 0.000 0.246 237 L C -0.025 176.766 176.870 -0.132 0.000 1.153 237 L CA -0.334 54.422 54.840 -0.141 0.000 0.956 237 L CB 0.051 42.013 42.059 -0.162 0.000 1.270 237 L HN 0.526 nan 8.230 nan 0.000 0.528 238 Y N 1.156 121.440 120.300 -0.026 0.000 2.805 238 Y HA -0.057 4.471 4.550 -0.038 0.000 0.331 238 Y C 0.883 176.773 175.900 -0.016 0.000 1.241 238 Y CA -0.229 57.857 58.100 -0.024 0.000 1.546 238 Y CB 0.679 39.122 38.460 -0.028 0.000 1.248 238 Y HN -0.134 nan 8.280 nan 0.000 0.559 239 V N 7.710 127.726 119.914 0.171 0.000 2.763 239 V HA 0.051 4.149 4.120 -0.037 0.000 0.306 239 V C -2.029 174.112 176.094 0.079 0.000 1.059 239 V CA -1.734 60.622 62.300 0.094 0.000 1.138 239 V CB 0.542 32.405 31.823 0.067 0.000 0.940 239 V HN 0.572 nan 8.190 nan 0.000 0.489 240 P HA 0.060 nan 4.420 nan 0.000 0.264 240 P C 0.380 177.693 177.300 0.022 0.000 1.183 240 P CA 0.103 63.221 63.100 0.031 0.000 0.763 240 P CB 0.406 32.122 31.700 0.026 0.000 0.807 241 E N 2.916 123.119 120.200 0.006 0.000 2.147 241 E HA -0.278 4.050 4.350 -0.037 0.000 0.199 241 E C 0.897 177.513 176.600 0.026 0.000 1.005 241 E CA 1.995 58.400 56.400 0.008 0.000 0.810 241 E CB -1.528 28.170 29.700 -0.002 0.000 0.736 241 E HN 0.549 nan 8.360 nan 0.000 0.460 242 N N 0.028 118.741 118.700 0.022 0.000 2.461 242 N HA -0.002 4.715 4.740 -0.037 0.000 0.188 242 N C 0.831 176.361 175.510 0.033 0.000 1.134 242 N CA 0.545 53.609 53.050 0.024 0.000 0.878 242 N CB 0.158 38.653 38.487 0.013 0.000 0.972 242 N HN -0.025 nan 8.380 nan 0.000 0.456 243 K N -0.489 119.934 120.400 0.039 0.000 2.374 243 K HA 0.302 4.600 4.320 -0.037 0.000 0.202 243 K C 1.055 177.692 176.600 0.061 0.000 1.040 243 K CA -0.214 56.099 56.287 0.045 0.000 1.085 243 K CB 0.110 32.631 32.500 0.035 0.000 0.873 243 K HN 0.122 nan 8.250 nan 0.000 0.539 244 L N 0.228 121.492 121.223 0.067 0.000 2.023 244 L HA -0.042 4.275 4.340 -0.037 0.000 0.205 244 L C 2.059 178.978 176.870 0.081 0.000 1.073 244 L CA 1.913 56.791 54.840 0.062 0.000 0.745 244 L CB -0.591 41.494 42.059 0.044 0.000 0.900 244 L HN 0.365 nan 8.230 nan 0.000 0.435 245 H N -0.376 118.701 119.070 0.012 0.000 2.319 245 H HA -0.176 4.358 4.556 -0.037 0.000 0.297 245 H C 2.197 177.534 175.328 0.015 0.000 1.097 245 H CA 2.230 58.286 56.048 0.012 0.000 1.285 245 H CB -0.065 29.703 29.762 0.009 0.000 1.368 245 H HN 0.238 nan 8.280 nan 0.000 0.495 246 L N 0.697 122.042 121.223 0.204 0.000 2.079 246 L HA -0.131 4.187 4.340 -0.037 0.000 0.210 246 L C 2.763 179.680 176.870 0.078 0.000 1.081 246 L CA 1.771 56.684 54.840 0.122 0.000 0.752 246 L CB -1.564 40.541 42.059 0.077 0.000 0.896 246 L HN 0.295 nan 8.230 nan 0.000 0.433 247 A N -1.002 121.857 122.820 0.064 0.000 1.968 247 A HA -0.172 4.126 4.320 -0.037 0.000 0.217 247 A C 2.295 179.900 177.584 0.034 0.000 1.169 247 A CA 1.119 53.183 52.037 0.044 0.000 0.638 247 A CB -0.226 18.799 19.000 0.042 0.000 0.812 247 A HN 0.377 nan 8.150 nan 0.000 0.446 248 K N -0.668 119.745 120.400 0.021 0.000 2.057 248 K HA -0.083 4.215 4.320 -0.037 0.000 0.206 248 K C 2.089 178.692 176.600 0.005 0.000 1.050 248 K CA 1.760 58.044 56.287 -0.006 0.000 0.935 248 K CB -0.431 32.031 32.500 -0.064 0.000 0.715 248 K HN 0.422 nan 8.250 nan 0.000 0.439 249 T N 1.233 115.801 114.554 0.022 0.000 2.674 249 T HA -0.193 4.135 4.350 -0.037 0.000 0.265 249 T C 1.542 176.266 174.700 0.039 0.000 1.039 249 T CA 1.864 63.988 62.100 0.040 0.000 1.150 249 T CB -0.454 68.460 68.868 0.077 0.000 0.864 249 T HN 0.286 nan 8.240 nan 0.000 0.427 250 D N 1.329 121.755 120.400 0.043 0.000 2.133 250 D HA -0.129 4.489 4.640 -0.037 0.000 0.192 250 D C 2.190 178.514 176.300 0.039 0.000 1.001 250 D CA 1.510 55.534 54.000 0.040 0.000 0.844 250 D CB -0.438 40.384 40.800 0.038 0.000 0.944 250 D HN 0.363 nan 8.370 nan 0.000 0.447 251 A N -0.118 122.725 122.820 0.037 0.000 2.024 251 A HA -0.174 4.124 4.320 -0.037 0.000 0.220 251 A C 2.126 179.739 177.584 0.048 0.000 1.164 251 A CA 1.875 53.937 52.037 0.043 0.000 0.643 251 A CB -0.663 18.361 19.000 0.039 0.000 0.806 251 A HN 0.270 nan 8.150 nan 0.000 0.451 252 E N -0.081 120.141 120.200 0.038 0.000 2.150 252 E HA -0.121 4.207 4.350 -0.037 0.000 0.193 252 E C 2.061 178.684 176.600 0.039 0.000 0.985 252 E CA 1.692 58.113 56.400 0.035 0.000 0.814 252 E CB -0.444 29.271 29.700 0.025 0.000 0.752 252 E HN 0.685 nan 8.360 nan 0.000 0.466 253 T N -1.861 112.718 114.554 0.040 0.000 3.072 253 T HA 0.039 4.367 4.350 -0.037 0.000 0.266 253 T C 0.794 175.525 174.700 0.051 0.000 1.127 253 T CA 0.098 62.222 62.100 0.041 0.000 1.107 253 T CB -0.235 68.656 68.868 0.038 0.000 0.910 253 T HN -0.014 nan 8.240 nan 0.000 0.513 254 L N 1.448 122.711 121.223 0.066 0.000 2.399 254 L HA 0.506 4.823 4.340 -0.037 0.000 0.265 254 L C -2.010 174.919 176.870 0.098 0.000 1.089 254 L CA -2.885 52.010 54.840 0.091 0.000 0.802 254 L CB 0.373 42.503 42.059 0.119 0.000 1.180 254 L HN -0.059 nan 8.230 nan 0.000 0.454 255 P HA 0.166 nan 4.420 nan 0.000 0.271 255 P C -1.167 176.214 177.300 0.135 0.000 1.233 255 P CA -0.242 62.906 63.100 0.081 0.000 0.795 255 P CB 0.496 32.224 31.700 0.047 0.000 0.936 256 A N 0.464 123.335 122.820 0.085 0.000 2.515 256 A HA 0.733 5.030 4.320 -0.037 0.000 0.296 256 A C -1.744 175.878 177.584 0.064 0.000 1.094 256 A CA -0.539 51.579 52.037 0.135 0.000 0.718 256 A CB 1.208 20.273 19.000 0.109 0.000 1.307 256 A HN 0.486 nan 8.150 nan 0.000 0.408 257 L N 0.376 121.687 121.223 0.147 0.000 2.410 257 L HA 0.623 4.940 4.340 -0.037 0.000 0.270 257 L C -0.677 176.274 176.870 0.135 0.000 0.983 257 L CA -0.261 54.629 54.840 0.083 0.000 0.822 257 L CB 1.799 43.914 42.059 0.093 0.000 1.285 257 L HN 0.651 nan 8.230 nan 0.000 0.409 258 K N 5.881 126.337 120.400 0.093 0.000 2.258 258 K HA 0.562 4.860 4.320 -0.037 0.000 0.284 258 K C -0.409 176.269 176.600 0.130 0.000 1.051 258 K CA -0.253 56.102 56.287 0.113 0.000 0.923 258 K CB 0.926 33.475 32.500 0.081 0.000 1.046 258 K HN 0.697 nan 8.250 nan 0.000 0.474 259 I N -0.410 120.270 120.570 0.183 0.000 3.100 259 I HA 0.509 4.657 4.170 -0.037 0.000 0.312 259 I C -0.278 175.997 176.117 0.264 0.000 1.063 259 I CA -1.060 60.348 61.300 0.180 0.000 1.031 259 I CB 1.819 39.917 38.000 0.163 0.000 1.243 259 I HN 0.529 nan 8.210 nan 0.000 0.483 260 N N 1.266 120.092 118.700 0.211 0.000 2.879 260 N HA 0.322 5.040 4.740 -0.037 0.000 0.329 260 N C 0.264 175.902 175.510 0.213 0.000 1.337 260 N CA -0.753 52.460 53.050 0.271 0.000 0.844 260 N CB 0.492 39.079 38.487 0.167 0.000 1.236 260 N HN 0.749 nan 8.380 nan 0.000 0.601 261 K N -0.787 119.760 120.400 0.245 0.000 2.076 261 K HA 0.075 4.372 4.320 -0.037 0.000 0.204 261 K C 1.317 177.952 176.600 0.058 0.000 1.051 261 K CA 0.691 57.058 56.287 0.135 0.000 0.949 261 K CB -0.182 32.481 32.500 0.271 0.000 0.726 261 K HN 0.323 nan 8.250 nan 0.000 0.443 262 V N 2.367 122.329 119.914 0.081 0.000 2.427 262 V HA -0.227 3.871 4.120 -0.037 0.000 0.248 262 V C 1.569 177.762 176.094 0.165 0.000 1.051 262 V CA 1.928 64.267 62.300 0.065 0.000 1.048 262 V CB -0.471 31.341 31.823 -0.018 0.000 0.666 262 V HN 0.370 nan 8.190 nan 0.000 0.456 263 D N -0.205 120.307 120.400 0.186 0.000 2.149 263 D HA -0.232 4.385 4.640 -0.037 0.000 0.198 263 D C 2.005 178.450 176.300 0.242 0.000 0.990 263 D CA 1.644 55.802 54.000 0.263 0.000 0.839 263 D CB -0.217 40.672 40.800 0.147 0.000 0.948 263 D HN 0.454 nan 8.370 nan 0.000 0.460 264 M N 0.543 120.166 119.600 0.039 0.000 2.254 264 M HA -0.085 4.373 4.480 -0.037 0.000 0.265 264 M C 1.831 178.213 176.300 0.136 0.000 1.066 264 M CA 1.328 56.596 55.300 -0.053 0.000 1.123 264 M CB 0.029 32.283 32.600 -0.577 0.000 1.388 264 M HN -0.144 nan 8.290 nan 0.000 0.425 265 Q N -1.500 118.390 119.800 0.150 0.000 2.172 265 Q HA -0.138 4.180 4.340 -0.037 0.000 0.200 265 Q C 1.756 177.779 176.000 0.038 0.000 0.964 265 Q CA 1.816 57.683 55.803 0.108 0.000 0.855 265 Q CB -0.278 28.386 28.738 -0.122 0.000 0.918 265 Q HN 0.692 nan 8.270 nan 0.000 0.444 266 W N -0.128 121.251 121.300 0.132 0.000 2.418 266 W HA -0.134 4.504 4.660 -0.036 0.000 0.292 266 W C 2.074 178.624 176.519 0.051 0.000 1.213 266 W CA 0.154 57.573 57.345 0.123 0.000 1.283 266 W CB -0.017 29.579 29.460 0.228 0.000 1.119 266 W HN -0.094 nan 8.180 nan 0.000 0.542 267 V N 0.545 120.654 119.914 0.325 0.000 2.317 267 V HA -0.425 3.673 4.120 -0.037 0.000 0.251 267 V C 2.212 178.333 176.094 0.046 0.000 1.065 267 V CA 2.424 64.796 62.300 0.119 0.000 1.049 267 V CB -1.029 30.886 31.823 0.154 0.000 0.651 267 V HN 0.328 nan 8.190 nan 0.000 0.450 268 Q N -0.582 119.283 119.800 0.108 0.000 2.079 268 Q HA -0.160 4.158 4.340 -0.037 0.000 0.200 268 Q C 2.245 178.336 176.000 0.151 0.000 0.974 268 Q CA 1.859 57.725 55.803 0.106 0.000 0.840 268 Q CB -0.072 28.777 28.738 0.184 0.000 0.898 268 Q HN 0.502 nan 8.270 nan 0.000 0.430 269 V N 1.161 121.183 119.914 0.180 0.000 2.324 269 V HA -0.310 3.788 4.120 -0.037 0.000 0.250 269 V C 2.334 178.645 176.094 0.362 0.000 1.060 269 V CA 1.725 64.223 62.300 0.330 0.000 1.042 269 V CB -0.494 31.547 31.823 0.364 0.000 0.650 269 V HN 0.413 nan 8.190 nan 0.000 0.450 270 L N -0.331 120.983 121.223 0.152 0.000 2.027 270 L HA -0.141 4.176 4.340 -0.037 0.000 0.206 270 L C 2.740 179.551 176.870 -0.098 0.000 1.074 270 L CA 1.558 56.393 54.840 -0.009 0.000 0.745 270 L CB -0.798 41.123 42.059 -0.231 0.000 0.898 270 L HN 0.358 nan 8.230 nan 0.000 0.433 271 A N -0.069 122.628 122.820 -0.206 0.000 1.917 271 A HA -0.250 4.048 4.320 -0.037 0.000 0.219 271 A C 2.060 179.351 177.584 -0.488 0.000 1.182 271 A CA 1.940 53.661 52.037 -0.526 0.000 0.633 271 A CB -0.475 18.032 19.000 -0.822 0.000 0.819 271 A HN 0.510 nan 8.150 nan 0.000 0.448 272 E N -2.018 118.078 120.200 -0.173 0.000 2.481 272 E HA 0.267 4.594 4.350 -0.037 0.000 0.195 272 E C 1.091 177.564 176.600 -0.210 0.000 1.047 272 E CA 0.300 56.644 56.400 -0.093 0.000 0.867 272 E CB -0.019 29.737 29.700 0.093 0.000 0.858 272 E HN 0.791 nan 8.360 nan 0.000 0.513 273 G N 0.498 109.229 108.800 -0.116 0.000 2.159 273 G HA2 -0.235 3.703 3.960 -0.037 0.000 0.227 273 G HA3 -0.235 3.703 3.960 -0.037 0.000 0.227 273 G C 0.393 175.259 174.900 -0.057 0.000 0.986 273 G CA 0.023 45.058 45.100 -0.109 0.000 0.651 273 G HN 0.321 nan 8.290 nan 0.000 0.523 274 W N 0.340 121.735 121.300 0.159 0.000 2.467 274 W HA 0.418 5.057 4.660 -0.036 0.000 0.275 274 W C 2.289 178.996 176.519 0.314 0.000 1.239 274 W CA 1.235 58.708 57.345 0.213 0.000 1.266 274 W CB 0.123 29.747 29.460 0.274 0.000 1.112 274 W HN 0.613 nan 8.180 nan 0.000 0.576 275 A N 0.005 123.146 122.820 0.535 0.000 2.640 275 A HA 0.254 4.552 4.320 -0.037 0.000 0.282 275 A C 0.494 178.230 177.584 0.253 0.000 1.357 275 A CA -0.066 52.251 52.037 0.465 0.000 0.946 275 A CB -0.854 18.358 19.000 0.354 0.000 1.065 275 A HN -0.096 nan 8.150 nan 0.000 0.541 276 T N 3.002 117.681 114.554 0.208 0.000 2.946 276 T HA 0.194 4.521 4.350 -0.037 0.000 0.311 276 T C -1.652 173.122 174.700 0.123 0.000 1.063 276 T CA 0.164 62.339 62.100 0.124 0.000 1.139 276 T CB 0.663 69.604 68.868 0.121 0.000 0.994 276 T HN 0.314 nan 8.240 nan 0.000 0.547 277 P HA 0.231 nan 4.420 nan 0.000 0.254 277 P C -0.011 177.289 177.300 -0.001 0.000 1.620 277 P CA -0.180 62.920 63.100 0.001 0.000 1.050 277 P CB -0.001 31.671 31.700 -0.046 0.000 1.539 278 L N 1.055 122.288 121.223 0.017 0.000 2.525 278 L HA 0.031 4.349 4.340 -0.037 0.000 0.278 278 L C 1.542 178.394 176.870 -0.031 0.000 1.218 278 L CA 0.265 55.101 54.840 -0.006 0.000 0.878 278 L CB 0.067 42.121 42.059 -0.008 0.000 1.127 278 L HN 0.009 nan 8.230 nan 0.000 0.492 279 N N 2.092 120.770 118.700 -0.037 0.000 2.336 279 N HA 0.157 4.874 4.740 -0.037 0.000 0.189 279 N C 0.441 175.907 175.510 -0.074 0.000 1.113 279 N CA 0.476 53.498 53.050 -0.047 0.000 0.858 279 N CB 1.046 39.514 38.487 -0.030 0.000 0.970 279 N HN 0.839 nan 8.380 nan 0.000 0.471 280 G N -0.339 108.397 108.800 -0.106 0.000 2.345 280 G HA2 0.130 4.067 3.960 -0.037 0.000 0.285 280 G HA3 0.130 4.067 3.960 -0.037 0.000 0.285 280 G C -1.392 173.411 174.900 -0.163 0.000 1.297 280 G CA -1.038 43.966 45.100 -0.161 0.000 0.875 280 G HN -0.008 nan 8.290 nan 0.000 0.506 281 F N 1.014 120.931 119.950 -0.056 0.000 2.553 281 F HA 0.428 4.932 4.527 -0.038 0.000 0.356 281 F C 1.693 177.471 175.800 -0.037 0.000 1.142 281 F CA 0.223 58.182 58.000 -0.069 0.000 1.322 281 F CB 0.601 39.546 39.000 -0.091 0.000 1.126 281 F HN 0.177 nan 8.300 nan 0.000 0.599 282 M N 3.118 122.837 119.600 0.199 0.000 2.238 282 M HA 0.190 4.648 4.480 -0.037 0.000 0.347 282 M C 0.229 176.635 176.300 0.176 0.000 1.173 282 M CA 0.371 55.753 55.300 0.136 0.000 1.147 282 M CB 0.674 33.361 32.600 0.145 0.000 1.547 282 M HN 0.547 nan 8.290 nan 0.000 0.455 283 R N 1.009 121.543 120.500 0.057 0.000 2.583 283 R HA 0.087 4.405 4.340 -0.037 0.000 0.268 283 R C 1.097 177.136 176.300 -0.435 0.000 1.101 283 R CA -0.494 55.556 56.100 -0.083 0.000 1.180 283 R CB 0.501 30.759 30.300 -0.071 0.000 1.128 283 R HN 0.712 nan 8.270 nan 0.000 0.568 284 E N 1.432 120.988 120.200 -1.074 0.000 2.065 284 E HA -0.348 3.979 4.350 -0.037 0.000 0.201 284 E C 1.973 178.349 176.600 -0.374 0.000 1.016 284 E CA 1.866 57.522 56.400 -1.240 0.000 0.818 284 E CB 0.071 29.272 29.700 -0.831 0.000 0.749 284 E HN 0.417 nan 8.360 nan 0.000 0.453 285 R N 0.352 120.714 120.500 -0.229 0.000 2.091 285 R HA -0.197 4.121 4.340 -0.037 0.000 0.238 285 R C 2.016 178.304 176.300 -0.020 0.000 1.136 285 R CA 2.090 58.144 56.100 -0.075 0.000 0.959 285 R CB -0.073 30.196 30.300 -0.052 0.000 0.856 285 R HN 0.269 nan 8.270 nan 0.000 0.437 286 E N -0.809 119.377 120.200 -0.023 0.000 2.072 286 E HA -0.208 4.120 4.350 -0.037 0.000 0.190 286 E C 1.739 178.372 176.600 0.055 0.000 0.982 286 E CA 1.059 57.473 56.400 0.023 0.000 0.803 286 E CB -0.308 29.405 29.700 0.021 0.000 0.755 286 E HN 0.353 nan 8.360 nan 0.000 0.453 287 Y N 1.815 122.073 120.300 -0.071 0.000 2.097 287 Y HA -0.225 4.302 4.550 -0.038 0.000 0.282 287 Y C 1.909 177.778 175.900 -0.051 0.000 1.152 287 Y CA 1.488 59.570 58.100 -0.030 0.000 1.136 287 Y CB -0.298 38.205 38.460 0.071 0.000 0.975 287 Y HN -0.060 nan 8.280 nan 0.000 0.498 288 L N -0.232 120.964 121.223 -0.045 0.000 2.141 288 L HA -0.246 4.071 4.340 -0.037 0.000 0.209 288 L C 2.479 179.291 176.870 -0.097 0.000 1.094 288 L CA 1.490 56.274 54.840 -0.093 0.000 0.763 288 L CB -0.595 41.503 42.059 0.064 0.000 0.908 288 L HN 0.298 nan 8.230 nan 0.000 0.437 289 Q N -1.019 118.778 119.800 -0.006 0.000 2.084 289 Q HA -0.250 4.067 4.340 -0.037 0.000 0.202 289 Q C 2.542 178.513 176.000 -0.048 0.000 0.978 289 Q CA 1.899 57.765 55.803 0.105 0.000 0.844 289 Q CB -0.457 28.411 28.738 0.216 0.000 0.898 289 Q HN 0.640 nan 8.270 nan 0.000 0.426 290 C N 0.473 119.708 119.300 -0.108 0.000 2.446 290 C HA -0.062 4.375 4.460 -0.037 0.000 0.277 290 C C 2.430 177.254 174.990 -0.276 0.000 1.275 290 C CA 0.449 59.383 59.018 -0.140 0.000 1.727 290 C CB -0.937 26.713 27.740 -0.151 0.000 2.010 290 C HN 0.481 nan 8.230 nan 0.000 0.486 291 L N -0.324 120.625 121.223 -0.457 0.000 2.093 291 L HA -0.083 4.235 4.340 -0.037 0.000 0.208 291 L C 2.522 179.009 176.870 -0.638 0.000 1.085 291 L CA 1.942 56.430 54.840 -0.586 0.000 0.755 291 L CB -0.711 40.856 42.059 -0.820 0.000 0.904 291 L HN 0.490 nan 8.230 nan 0.000 0.435 292 H N -1.833 116.891 119.070 -0.578 0.000 2.448 292 H HA 0.009 4.543 4.556 -0.037 0.000 0.292 292 H C 1.314 176.261 175.328 -0.634 0.000 1.035 292 H CA 1.332 56.927 56.048 -0.755 0.000 1.349 292 H CB 0.253 29.280 29.762 -1.224 0.000 1.425 292 H HN 0.231 nan 8.280 nan 0.000 0.539 293 F N -0.841 119.124 119.950 0.024 0.000 2.728 293 F HA 0.164 4.669 4.527 -0.037 0.000 0.314 293 F C 0.052 175.836 175.800 -0.027 0.000 1.094 293 F CA -0.406 57.596 58.000 0.004 0.000 1.217 293 F CB 0.888 39.893 39.000 0.009 0.000 1.056 293 F HN -0.141 nan 8.300 nan 0.000 0.577 294 D N 0.385 120.817 120.400 0.053 0.000 2.983 294 D HA -0.194 4.424 4.640 -0.037 0.000 0.225 294 D C -0.613 175.721 176.300 0.056 0.000 1.174 294 D CA 0.593 54.599 54.000 0.009 0.000 0.831 294 D CB -1.550 39.245 40.800 -0.010 0.000 1.104 294 D HN 0.214 nan 8.370 nan 0.000 0.421 295 C N -0.421 118.943 119.300 0.105 0.000 3.090 295 C HA 0.641 5.079 4.460 -0.037 0.000 0.305 295 C C 0.146 175.193 174.990 0.096 0.000 1.292 295 C CA -1.043 58.033 59.018 0.097 0.000 1.482 295 C CB 1.815 29.613 27.740 0.097 0.000 1.897 295 C HN 0.174 nan 8.230 nan 0.000 0.469 296 L N 2.017 123.276 121.223 0.060 0.000 2.343 296 L HA 0.503 4.820 4.340 -0.037 0.000 0.275 296 L C 0.292 177.174 176.870 0.020 0.000 1.056 296 L CA -0.234 54.632 54.840 0.043 0.000 0.804 296 L CB 0.844 42.913 42.059 0.017 0.000 1.203 296 L HN 0.668 nan 8.230 nan 0.000 0.440 297 L N -0.096 121.136 121.223 0.016 0.000 2.878 297 L HA 0.217 4.535 4.340 -0.037 0.000 0.253 297 L C -0.393 176.461 176.870 -0.027 0.000 1.135 297 L CA -0.140 54.690 54.840 -0.017 0.000 0.943 297 L CB 0.539 42.580 42.059 -0.031 0.000 1.307 297 L HN 0.562 nan 8.230 nan 0.000 0.545 298 D N 1.345 121.735 120.400 -0.017 0.000 2.312 298 D HA 0.357 4.974 4.640 -0.037 0.000 0.252 298 D C 1.204 177.487 176.300 -0.029 0.000 1.150 298 D CA 0.944 54.932 54.000 -0.019 0.000 0.870 298 D CB 1.427 42.220 40.800 -0.011 0.000 1.153 298 D HN 0.243 nan 8.370 nan 0.000 0.457 299 G N 1.518 110.302 108.800 -0.027 0.000 2.168 299 G HA2 0.037 3.975 3.960 -0.037 0.000 0.263 299 G HA3 0.037 3.975 3.960 -0.037 0.000 0.263 299 G C 0.640 175.516 174.900 -0.040 0.000 0.977 299 G CA 0.361 45.444 45.100 -0.030 0.000 0.659 299 G HN 1.215 nan 8.290 nan 0.000 0.533 300 G N -2.823 105.949 108.800 -0.046 0.000 2.362 300 G HA2 0.409 4.346 3.960 -0.037 0.000 0.656 300 G HA3 0.409 4.346 3.960 -0.037 0.000 0.656 300 G C -0.667 174.195 174.900 -0.063 0.000 1.376 300 G CA -0.071 44.997 45.100 -0.053 0.000 0.971 300 G HN 1.375 nan 8.290 nan 0.000 0.636 301 V N 1.883 121.766 119.914 -0.053 0.000 2.432 301 V HA 0.516 4.614 4.120 -0.037 0.000 0.271 301 V C 0.303 176.372 176.094 -0.042 0.000 1.046 301 V CA -0.492 61.788 62.300 -0.034 0.000 0.945 301 V CB 1.134 32.948 31.823 -0.014 0.000 0.992 301 V HN 0.580 nan 8.190 nan 0.000 0.471 302 I N 4.690 125.237 120.570 -0.039 0.000 2.410 302 I HA 0.293 4.441 4.170 -0.037 0.000 0.286 302 I C 0.246 176.432 176.117 0.114 0.000 1.009 302 I CA -0.530 60.737 61.300 -0.055 0.000 1.111 302 I CB 1.651 39.549 38.000 -0.170 0.000 1.262 302 I HN 0.615 nan 8.210 nan 0.000 0.443 303 N N 7.759 126.606 118.700 0.245 0.000 2.447 303 N HA 0.159 4.877 4.740 -0.037 0.000 0.263 303 N C -1.119 174.513 175.510 0.202 0.000 1.226 303 N CA 0.529 53.688 53.050 0.182 0.000 0.906 303 N CB 0.836 39.412 38.487 0.149 0.000 1.060 303 N HN 0.568 nan 8.380 nan 0.000 0.468 304 L N 3.375 124.678 121.223 0.134 0.000 2.740 304 L HA 0.020 4.338 4.340 -0.037 0.000 0.250 304 L C 0.555 177.438 176.870 0.022 0.000 0.997 304 L CA -0.116 54.801 54.840 0.128 0.000 0.968 304 L CB 0.822 42.945 42.059 0.108 0.000 1.248 304 L HN 0.626 nan 8.230 nan 0.000 0.476 305 S N 1.247 116.950 115.700 0.006 0.000 2.540 305 S HA 0.189 4.637 4.470 -0.037 0.000 0.218 305 S C 0.238 174.715 174.600 -0.206 0.000 0.977 305 S CA 0.139 58.287 58.200 -0.086 0.000 0.918 305 S CB 0.404 63.569 63.200 -0.057 0.000 0.806 305 S HN 0.360 nan 8.310 nan 0.000 0.496 306 V N -1.544 118.197 119.914 -0.288 0.000 2.680 306 V HA 0.721 4.819 4.120 -0.037 0.000 0.309 306 V C -3.337 172.508 176.094 -0.415 0.000 1.052 306 V CA -3.060 58.986 62.300 -0.423 0.000 0.908 306 V CB 1.279 32.761 31.823 -0.569 0.000 1.001 306 V HN -0.105 nan 8.190 nan 0.000 0.431 307 P HA 0.326 nan 4.420 nan 0.000 0.264 307 P C -0.493 176.535 177.300 -0.453 0.000 1.193 307 P CA 0.412 63.384 63.100 -0.214 0.000 0.763 307 P CB 0.255 31.964 31.700 0.016 0.000 0.810 308 I N 4.351 124.690 120.570 -0.384 0.000 2.412 308 I HA 0.234 4.381 4.170 -0.037 0.000 0.279 308 I C 0.252 176.298 176.117 -0.118 0.000 1.063 308 I CA -0.736 60.261 61.300 -0.506 0.000 1.193 308 I CB 0.751 38.495 38.000 -0.427 0.000 1.370 308 I HN 0.115 nan 8.210 nan 0.000 0.479 309 V N 3.578 123.377 119.914 -0.192 0.000 3.102 309 V HA 0.654 4.752 4.120 -0.037 0.000 0.312 309 V C -1.124 174.684 176.094 -0.477 0.000 1.135 309 V CA -1.033 61.161 62.300 -0.176 0.000 1.022 309 V CB 2.649 34.276 31.823 -0.327 0.000 1.056 309 V HN 0.421 nan 8.190 nan 0.000 0.436 310 L N 2.803 123.573 121.223 -0.753 0.000 2.325 310 L HA 0.785 5.102 4.340 -0.037 0.000 0.281 310 L C 0.439 176.995 176.870 -0.524 0.000 1.004 310 L CA 0.332 54.657 54.840 -0.858 0.000 0.823 310 L CB 1.794 43.105 42.059 -1.247 0.000 1.236 310 L HN 1.180 nan 8.230 nan 0.000 0.415 311 T N 2.042 116.371 114.554 -0.374 0.000 2.902 311 T HA 0.947 5.274 4.350 -0.037 0.000 0.280 311 T C -0.195 174.443 174.700 -0.104 0.000 0.992 311 T CA -0.174 61.774 62.100 -0.254 0.000 1.015 311 T CB 1.752 70.513 68.868 -0.179 0.000 1.044 311 T HN 0.960 nan 8.240 nan 0.000 0.520 312 A N 1.296 124.123 122.820 0.011 0.000 2.612 312 A HA 0.761 5.059 4.320 -0.037 0.000 0.293 312 A C 0.223 177.924 177.584 0.194 0.000 1.075 312 A CA -0.725 51.371 52.037 0.098 0.000 0.680 312 A CB 0.971 20.057 19.000 0.143 0.000 1.279 312 A HN 1.311 nan 8.150 nan 0.000 0.411 313 T N -1.610 113.037 114.554 0.155 0.000 2.847 313 T HA 0.386 4.714 4.350 -0.037 0.000 0.279 313 T C 1.061 175.948 174.700 0.310 0.000 0.984 313 T CA 0.196 62.416 62.100 0.199 0.000 0.988 313 T CB 0.300 69.231 68.868 0.105 0.000 1.040 313 T HN 0.575 nan 8.240 nan 0.000 0.528 314 H N 0.582 119.781 119.070 0.214 0.000 2.357 314 H HA -0.069 4.465 4.556 -0.037 0.000 0.296 314 H C 2.079 177.384 175.328 -0.039 0.000 1.108 314 H CA 2.377 58.517 56.048 0.154 0.000 1.273 314 H CB -0.266 29.590 29.762 0.157 0.000 1.367 314 H HN 0.734 nan 8.280 nan 0.000 0.498 315 E N 0.072 120.334 120.200 0.103 0.000 2.028 315 E HA -0.102 4.226 4.350 -0.037 0.000 0.191 315 E C 2.064 178.618 176.600 -0.077 0.000 0.988 315 E CA 1.197 57.595 56.400 -0.003 0.000 0.799 315 E CB -0.225 29.485 29.700 0.015 0.000 0.755 315 E HN 0.477 nan 8.360 nan 0.000 0.447 316 D N 0.294 120.660 120.400 -0.057 0.000 2.144 316 D HA -0.151 4.466 4.640 -0.037 0.000 0.199 316 D C 1.765 177.938 176.300 -0.212 0.000 0.984 316 D CA 0.834 54.769 54.000 -0.108 0.000 0.834 316 D CB -0.087 40.682 40.800 -0.051 0.000 0.955 316 D HN 0.094 nan 8.370 nan 0.000 0.465 317 K N 1.027 121.272 120.400 -0.259 0.000 2.032 317 K HA -0.186 4.111 4.320 -0.037 0.000 0.209 317 K C 1.780 177.964 176.600 -0.694 0.000 1.048 317 K CA 1.281 57.189 56.287 -0.631 0.000 0.927 317 K CB 0.043 31.996 32.500 -0.911 0.000 0.712 317 K HN 0.051 nan 8.250 nan 0.000 0.441 318 E N -0.134 119.777 120.200 -0.481 0.000 2.208 318 E HA -0.123 4.205 4.350 -0.037 0.000 0.193 318 E C 2.068 178.470 176.600 -0.330 0.000 0.988 318 E CA 0.579 56.726 56.400 -0.422 0.000 0.828 318 E CB 0.038 29.549 29.700 -0.315 0.000 0.763 318 E HN 0.244 nan 8.360 nan 0.000 0.478 319 R N 0.573 120.907 120.500 -0.277 0.000 2.081 319 R HA -0.106 4.211 4.340 -0.037 0.000 0.235 319 R C 1.738 177.889 176.300 -0.248 0.000 1.131 319 R CA 1.232 57.201 56.100 -0.218 0.000 0.960 319 R CB -0.002 30.194 30.300 -0.173 0.000 0.856 319 R HN 0.181 nan 8.270 nan 0.000 0.436 320 L N -0.040 120.979 121.223 -0.339 0.000 2.463 320 L HA 0.138 4.456 4.340 -0.037 0.000 0.219 320 L C 0.433 177.159 176.870 -0.239 0.000 1.088 320 L CA -0.377 54.294 54.840 -0.282 0.000 0.849 320 L CB -0.099 41.741 42.059 -0.366 0.000 1.012 320 L HN 0.151 nan 8.230 nan 0.000 0.468 321 D N 0.378 120.431 120.400 -0.578 0.000 2.455 321 D HA 0.288 4.905 4.640 -0.037 0.000 0.241 321 D C 1.132 177.301 176.300 -0.219 0.000 1.138 321 D CA 1.528 55.178 54.000 -0.583 0.000 0.877 321 D CB 1.127 41.399 40.800 -0.881 0.000 1.187 321 D HN 0.271 nan 8.370 nan 0.000 0.451 322 G N 2.201 110.962 108.800 -0.065 0.000 2.308 322 G HA2 -0.257 3.681 3.960 -0.037 0.000 0.221 322 G HA3 -0.257 3.681 3.960 -0.037 0.000 0.221 322 G C 0.640 175.564 174.900 0.039 0.000 1.032 322 G CA 0.134 45.221 45.100 -0.020 0.000 0.623 322 G HN 1.111 nan 8.290 nan 0.000 0.506 323 C N 2.086 121.433 119.300 0.079 0.000 2.401 323 C HA 0.787 5.225 4.460 -0.037 0.000 0.365 323 C C 2.073 177.164 174.990 0.167 0.000 1.250 323 C CA 0.883 59.971 59.018 0.116 0.000 2.131 323 C CB 0.800 28.614 27.740 0.122 0.000 2.445 323 C HN 1.066 nan 8.230 nan 0.000 0.550 324 T N 0.570 115.199 114.554 0.124 0.000 3.129 324 T HA 0.465 4.793 4.350 -0.037 0.000 0.251 324 T C 0.387 175.148 174.700 0.101 0.000 1.117 324 T CA 0.535 62.700 62.100 0.108 0.000 1.034 324 T CB -0.241 68.669 68.868 0.069 0.000 0.968 324 T HN 1.936 nan 8.240 nan 0.000 0.526 325 A N 0.834 123.740 122.820 0.142 0.000 2.582 325 A HA 0.646 4.944 4.320 -0.037 0.000 0.297 325 A C -1.261 176.457 177.584 0.222 0.000 1.059 325 A CA -1.290 50.802 52.037 0.092 0.000 0.705 325 A CB 0.739 19.768 19.000 0.047 0.000 1.279 325 A HN 0.646 nan 8.150 nan 0.000 0.404 326 F N -0.324 119.661 119.950 0.058 0.000 2.685 326 F HA 0.939 5.443 4.527 -0.038 0.000 0.315 326 F C -0.116 175.718 175.800 0.057 0.000 1.126 326 F CA -0.812 57.222 58.000 0.056 0.000 0.950 326 F CB 1.256 40.295 39.000 0.066 0.000 1.360 326 F HN 1.042 nan 8.300 nan 0.000 0.469 327 A N 1.926 124.924 122.820 0.297 0.000 2.325 327 A HA 0.798 5.096 4.320 -0.037 0.000 0.333 327 A C -1.238 176.507 177.584 0.268 0.000 1.155 327 A CA -0.861 51.280 52.037 0.172 0.000 0.814 327 A CB 0.994 20.077 19.000 0.138 0.000 1.206 327 A HN 0.818 nan 8.150 nan 0.000 0.482 328 L N 2.096 123.424 121.223 0.174 0.000 2.295 328 L HA 0.520 4.838 4.340 -0.037 0.000 0.285 328 L C -0.170 176.805 176.870 0.176 0.000 1.035 328 L CA -0.056 54.906 54.840 0.204 0.000 0.806 328 L CB 1.542 43.705 42.059 0.174 0.000 1.214 328 L HN 0.743 nan 8.230 nan 0.000 0.426 329 M N 3.805 123.515 119.600 0.183 0.000 2.190 329 M HA 0.347 4.805 4.480 -0.037 0.000 0.312 329 M C -1.855 174.579 176.300 0.224 0.000 0.990 329 M CA -0.633 54.765 55.300 0.163 0.000 0.927 329 M CB 1.971 34.642 32.600 0.118 0.000 1.571 329 M HN 0.450 nan 8.290 nan 0.000 0.427 330 Y N 3.684 124.027 120.300 0.071 0.000 2.341 330 Y HA 0.293 4.820 4.550 -0.038 0.000 0.338 330 Y C -0.293 175.640 175.900 0.056 0.000 0.965 330 Y CA -0.559 57.586 58.100 0.074 0.000 1.108 330 Y CB 1.008 39.516 38.460 0.080 0.000 1.180 330 Y HN 0.830 nan 8.280 nan 0.000 0.458 331 E N 4.220 124.152 120.200 -0.447 0.000 2.210 331 E HA -0.262 4.066 4.350 -0.037 0.000 0.201 331 E C 1.117 177.624 176.600 -0.155 0.000 1.339 331 E CA 0.778 56.962 56.400 -0.361 0.000 0.699 331 E CB -1.289 28.104 29.700 -0.511 0.000 1.126 331 E HN 1.218 nan 8.360 nan 0.000 0.355 332 G N 0.617 109.371 108.800 -0.076 0.000 2.230 332 G HA2 -0.421 3.517 3.960 -0.037 0.000 0.270 332 G HA3 -0.421 3.517 3.960 -0.037 0.000 0.270 332 G C 0.344 175.241 174.900 -0.004 0.000 0.987 332 G CA 1.203 46.288 45.100 -0.024 0.000 0.664 332 G HN 0.406 nan 8.290 nan 0.000 0.539 333 R N -0.148 120.352 120.500 0.001 0.000 2.349 333 R HA 0.478 4.796 4.340 -0.037 0.000 0.299 333 R C 0.342 176.681 176.300 0.066 0.000 1.027 333 R CA -0.806 55.310 56.100 0.027 0.000 0.958 333 R CB 0.906 31.221 30.300 0.025 0.000 1.047 333 R HN 0.176 nan 8.270 nan 0.000 0.468 334 R N 2.015 122.549 120.500 0.057 0.000 2.309 334 R HA 0.018 4.336 4.340 -0.037 0.000 0.331 334 R C 1.179 177.524 176.300 0.075 0.000 1.116 334 R CA -0.112 56.031 56.100 0.072 0.000 0.970 334 R CB 0.484 30.819 30.300 0.058 0.000 1.024 334 R HN 0.535 nan 8.270 nan 0.000 0.472 335 V N -0.371 119.603 119.914 0.101 0.000 3.590 335 V HA 0.458 4.556 4.120 -0.037 0.000 0.265 335 V C 0.578 176.721 176.094 0.082 0.000 1.239 335 V CA 0.575 62.932 62.300 0.095 0.000 1.117 335 V CB -0.093 31.801 31.823 0.119 0.000 0.818 335 V HN 0.648 nan 8.190 nan 0.000 0.451 336 A N -0.329 122.536 122.820 0.075 0.000 2.567 336 A HA 0.777 5.074 4.320 -0.037 0.000 0.291 336 A C -1.566 176.032 177.584 0.024 0.000 1.048 336 A CA -0.585 51.482 52.037 0.049 0.000 0.661 336 A CB 0.906 19.937 19.000 0.050 0.000 1.288 336 A HN 0.221 nan 8.150 nan 0.000 0.424 337 I N 0.493 121.055 120.570 -0.014 0.000 2.465 337 I HA 0.496 4.644 4.170 -0.037 0.000 0.291 337 I C -1.028 175.005 176.117 -0.140 0.000 1.014 337 I CA -0.691 60.570 61.300 -0.065 0.000 1.093 337 I CB 1.895 39.877 38.000 -0.031 0.000 1.267 337 I HN 0.524 nan 8.210 nan 0.000 0.431 338 L N 7.183 128.212 121.223 -0.322 0.000 2.276 338 L HA 0.498 4.816 4.340 -0.037 0.000 0.286 338 L C -0.283 176.376 176.870 -0.352 0.000 1.024 338 L CA -0.034 54.583 54.840 -0.372 0.000 0.826 338 L CB 0.437 42.122 42.059 -0.625 0.000 1.211 338 L HN 0.489 nan 8.230 nan 0.000 0.422 339 R N 3.974 124.376 120.500 -0.164 0.000 2.486 339 R HA 0.389 4.706 4.340 -0.037 0.000 0.286 339 R C -0.138 176.137 176.300 -0.041 0.000 0.999 339 R CA -0.756 55.297 56.100 -0.080 0.000 0.993 339 R CB 0.872 31.148 30.300 -0.041 0.000 1.084 339 R HN 0.670 nan 8.270 nan 0.000 0.487 340 N N 0.925 119.630 118.700 0.008 0.000 2.714 340 N HA -0.113 4.605 4.740 -0.037 0.000 0.253 340 N C -2.535 173.002 175.510 0.045 0.000 1.024 340 N CA 0.518 53.591 53.050 0.039 0.000 0.726 340 N CB -1.109 37.394 38.487 0.026 0.000 0.908 340 N HN 0.453 nan 8.380 nan 0.000 0.542 341 P HA 0.173 nan 4.420 nan 0.000 0.278 341 P C -0.159 177.165 177.300 0.040 0.000 1.238 341 P CA 0.163 63.271 63.100 0.013 0.000 0.794 341 P CB 0.904 32.661 31.700 0.095 0.000 0.955 342 E N 1.555 121.726 120.200 -0.048 0.000 2.272 342 E HA 0.556 4.884 4.350 -0.037 0.000 0.269 342 E C -1.578 175.042 176.600 0.033 0.000 0.877 342 E CA -0.815 55.651 56.400 0.110 0.000 0.755 342 E CB 1.148 30.943 29.700 0.159 0.000 1.192 342 E HN 0.139 nan 8.360 nan 0.000 0.422 343 F N 2.855 122.952 119.950 0.244 0.000 2.444 343 F HA 0.526 5.031 4.527 -0.037 0.000 0.342 343 F C -0.476 175.626 175.800 0.504 0.000 1.121 343 F CA -0.713 57.425 58.000 0.229 0.000 0.997 343 F CB 1.044 40.025 39.000 -0.032 0.000 1.130 343 F HN 0.485 nan 8.300 nan 0.000 0.454 344 F N -1.109 119.132 119.950 0.485 0.000 2.643 344 F HA 0.683 5.188 4.527 -0.037 0.000 0.314 344 F C -0.730 175.199 175.800 0.214 0.000 1.096 344 F CA -1.555 56.675 58.000 0.383 0.000 0.953 344 F CB 0.968 40.062 39.000 0.156 0.000 1.345 344 F HN 0.298 nan 8.300 nan 0.000 0.468 345 E N 0.330 120.539 120.200 0.016 0.000 2.373 345 E HA 0.035 4.363 4.350 -0.037 0.000 0.267 345 E C -1.075 175.409 176.600 -0.194 0.000 1.032 345 E CA -0.227 55.936 56.400 -0.396 0.000 0.889 345 E CB 0.263 29.762 29.700 -0.336 0.000 0.984 345 E HN 0.479 nan 8.360 nan 0.000 0.425 346 H N 3.849 122.683 119.070 -0.394 0.000 2.818 346 H HA 0.105 4.639 4.556 -0.037 0.000 0.269 346 H C -0.715 174.522 175.328 -0.152 0.000 1.277 346 H CA -0.830 55.062 56.048 -0.260 0.000 1.290 346 H CB -0.196 29.403 29.762 -0.272 0.000 1.479 346 H HN 0.249 nan 8.280 nan 0.000 0.507 347 R N 4.559 125.091 120.500 0.053 0.000 2.351 347 R HA 0.057 4.375 4.340 -0.037 0.000 0.321 347 R C 0.792 177.048 176.300 -0.072 0.000 1.182 347 R CA -0.174 55.911 56.100 -0.026 0.000 1.011 347 R CB 0.276 30.603 30.300 0.046 0.000 1.048 347 R HN 0.600 nan 8.270 nan 0.000 0.490 348 K N 1.544 121.809 120.400 -0.224 0.000 2.116 348 K HA -0.136 4.162 4.320 -0.037 0.000 0.203 348 K C 1.827 178.360 176.600 -0.112 0.000 1.052 348 K CA 0.924 57.037 56.287 -0.291 0.000 0.952 348 K CB 0.223 32.470 32.500 -0.421 0.000 0.729 348 K HN 0.538 nan 8.250 nan 0.000 0.446 349 E N 1.852 122.000 120.200 -0.087 0.000 2.051 349 E HA -0.274 4.054 4.350 -0.037 0.000 0.192 349 E C 2.012 178.611 176.600 -0.002 0.000 0.991 349 E CA 1.323 57.700 56.400 -0.039 0.000 0.799 349 E CB 0.091 29.769 29.700 -0.037 0.000 0.748 349 E HN 0.298 nan 8.360 nan 0.000 0.449 350 E N 0.758 120.958 120.200 -0.001 0.000 2.077 350 E HA -0.254 4.074 4.350 -0.037 0.000 0.193 350 E C 2.388 178.996 176.600 0.014 0.000 0.989 350 E CA 0.946 57.352 56.400 0.010 0.000 0.800 350 E CB -0.155 29.554 29.700 0.014 0.000 0.746 350 E HN 0.166 nan 8.360 nan 0.000 0.452 351 R N 0.252 120.784 120.500 0.052 0.000 2.094 351 R HA -0.193 4.125 4.340 -0.037 0.000 0.239 351 R C 2.382 178.776 176.300 0.157 0.000 1.137 351 R CA 2.072 58.230 56.100 0.096 0.000 0.943 351 R CB -0.736 29.718 30.300 0.256 0.000 0.850 351 R HN 0.343 nan 8.270 nan 0.000 0.433 352 C N 0.272 119.697 119.300 0.208 0.000 2.436 352 C HA -0.055 4.383 4.460 -0.037 0.000 0.277 352 C C 3.004 178.165 174.990 0.286 0.000 1.241 352 C CA 0.889 60.118 59.018 0.351 0.000 1.721 352 C CB -1.165 26.637 27.740 0.104 0.000 2.043 352 C HN 0.737 nan 8.230 nan 0.000 0.472 353 A N 0.690 123.588 122.820 0.129 0.000 1.892 353 A HA -0.239 4.058 4.320 -0.037 0.000 0.218 353 A C 2.212 179.841 177.584 0.076 0.000 1.188 353 A CA 1.783 53.879 52.037 0.098 0.000 0.631 353 A CB -0.591 18.439 19.000 0.049 0.000 0.822 353 A HN 0.700 nan 8.150 nan 0.000 0.447 354 R N -1.013 119.492 120.500 0.009 0.000 2.115 354 R HA -0.130 4.188 4.340 -0.037 0.000 0.230 354 R C 2.472 178.705 176.300 -0.111 0.000 1.111 354 R CA 1.450 57.505 56.100 -0.075 0.000 0.976 354 R CB -0.246 29.936 30.300 -0.196 0.000 0.870 354 R HN 0.821 nan 8.270 nan 0.000 0.445 355 Q N -0.404 119.326 119.800 -0.117 0.000 2.163 355 Q HA -0.099 4.219 4.340 -0.037 0.000 0.198 355 Q C 1.088 176.867 176.000 -0.370 0.000 0.954 355 Q CA 0.885 56.468 55.803 -0.365 0.000 0.851 355 Q CB 0.356 28.728 28.738 -0.610 0.000 0.928 355 Q HN 0.418 nan 8.270 nan 0.000 0.459 356 W N -0.780 120.513 121.300 -0.012 0.000 2.998 356 W HA 0.327 4.964 4.660 -0.037 0.000 0.336 356 W C 0.729 177.345 176.519 0.162 0.000 1.112 356 W CA 0.538 57.923 57.345 0.067 0.000 1.682 356 W CB 0.857 30.265 29.460 -0.087 0.000 1.065 356 W HN 0.428 nan 8.180 nan 0.000 0.570 357 G N 2.107 111.059 108.800 0.253 0.000 2.179 357 G HA2 -0.272 3.666 3.960 -0.037 0.000 0.257 357 G HA3 -0.272 3.666 3.960 -0.037 0.000 0.257 357 G C 0.044 175.044 174.900 0.165 0.000 1.010 357 G CA 1.207 46.436 45.100 0.216 0.000 0.736 357 G HN 0.227 nan 8.290 nan 0.000 0.513 358 T N -2.051 112.591 114.554 0.146 0.000 2.893 358 T HA 0.586 4.913 4.350 -0.037 0.000 0.337 358 T C 0.625 175.350 174.700 0.041 0.000 1.587 358 T CA 1.020 63.161 62.100 0.068 0.000 1.066 358 T CB 1.002 69.859 68.868 -0.019 0.000 1.414 358 T HN 1.052 nan 8.240 nan 0.000 0.488 359 T N 0.047 114.610 114.554 0.016 0.000 3.182 359 T HA 0.232 4.560 4.350 -0.037 0.000 0.277 359 T C 1.090 175.758 174.700 -0.053 0.000 1.013 359 T CA -0.220 61.867 62.100 -0.022 0.000 0.900 359 T CB -1.069 67.796 68.868 -0.005 0.000 1.098 359 T HN 0.785 nan 8.240 nan 0.000 0.543 360 C N 2.958 122.223 119.300 -0.058 0.000 2.409 360 C HA 0.126 4.564 4.460 -0.037 0.000 0.399 360 C C 1.929 176.879 174.990 -0.067 0.000 1.505 360 C CA 0.127 59.115 59.018 -0.050 0.000 1.435 360 C CB -1.156 26.508 27.740 -0.127 0.000 2.462 360 C HN 0.681 nan 8.230 nan 0.000 0.619 361 K N 3.349 123.725 120.400 -0.040 0.000 2.362 361 K HA -0.053 4.245 4.320 -0.037 0.000 0.200 361 K C 1.204 177.780 176.600 -0.039 0.000 1.046 361 K CA 1.070 57.327 56.287 -0.050 0.000 0.952 361 K CB 0.035 32.513 32.500 -0.036 0.000 0.753 361 K HN 0.721 nan 8.250 nan 0.000 0.466 362 N N 0.149 118.836 118.700 -0.022 0.000 2.230 362 N HA -0.075 4.642 4.740 -0.037 0.000 0.202 362 N C -0.166 175.330 175.510 -0.023 0.000 1.119 362 N CA 0.106 53.145 53.050 -0.019 0.000 0.851 362 N CB 0.149 38.632 38.487 -0.007 0.000 0.990 362 N HN 0.226 nan 8.380 nan 0.000 0.497 363 H N 2.940 121.927 119.070 -0.139 0.000 2.964 363 H HA 0.034 4.569 4.556 -0.035 0.000 0.328 363 H C -1.498 173.768 175.328 -0.105 0.000 1.030 363 H CA -0.690 55.268 56.048 -0.151 0.000 1.445 363 H CB 1.543 31.147 29.762 -0.264 0.000 1.449 363 H HN 0.008 nan 8.280 nan 0.000 0.581 364 P HA -0.140 nan 4.420 nan 0.000 0.221 364 P C 1.089 178.478 177.300 0.147 0.000 1.150 364 P CA 1.002 64.130 63.100 0.046 0.000 0.800 364 P CB -0.025 31.755 31.700 0.134 0.000 0.787 365 Y N 0.210 120.617 120.300 0.177 0.000 2.314 365 Y HA 0.063 4.590 4.550 -0.038 0.000 0.294 365 Y C 2.309 178.075 175.900 -0.224 0.000 1.119 365 Y CA 0.790 58.890 58.100 -0.001 0.000 1.179 365 Y CB -0.703 37.980 38.460 0.372 0.000 1.025 365 Y HN -0.269 nan 8.280 nan 0.000 0.541 366 I N 0.306 120.758 120.570 -0.197 0.000 2.208 366 I HA -0.366 3.782 4.170 -0.037 0.000 0.245 366 I C 2.485 178.464 176.117 -0.230 0.000 1.097 366 I CA 1.751 62.761 61.300 -0.485 0.000 1.363 366 I CB -0.403 37.230 38.000 -0.611 0.000 1.051 366 I HN 0.168 nan 8.210 nan 0.000 0.413 367 K N 1.010 121.323 120.400 -0.146 0.000 2.063 367 K HA -0.213 4.084 4.320 -0.037 0.000 0.208 367 K C 2.217 178.721 176.600 -0.160 0.000 1.048 367 K CA 1.598 57.812 56.287 -0.121 0.000 0.928 367 K CB -0.044 32.413 32.500 -0.072 0.000 0.713 367 K HN 0.228 nan 8.250 nan 0.000 0.442 368 M N 0.116 119.563 119.600 -0.255 0.000 2.117 368 M HA -0.161 4.296 4.480 -0.037 0.000 0.262 368 M C 2.095 178.261 176.300 -0.223 0.000 1.065 368 M CA 1.214 56.325 55.300 -0.315 0.000 1.114 368 M CB -0.016 32.219 32.600 -0.608 0.000 1.361 368 M HN 0.002 nan 8.290 nan 0.000 0.408 369 V N 0.228 120.028 119.914 -0.190 0.000 2.427 369 V HA -0.257 3.841 4.120 -0.037 0.000 0.248 369 V C 2.425 178.470 176.094 -0.082 0.000 1.051 369 V CA 1.273 63.551 62.300 -0.038 0.000 1.048 369 V CB -0.554 31.306 31.823 0.061 0.000 0.666 369 V HN 0.478 nan 8.190 nan 0.000 0.456 370 M N -0.420 119.106 119.600 -0.123 0.000 2.358 370 M HA -0.129 4.329 4.480 -0.037 0.000 0.264 370 M C 1.923 178.162 176.300 -0.102 0.000 1.064 370 M CA 1.349 56.575 55.300 -0.123 0.000 1.093 370 M CB -1.135 31.398 32.600 -0.112 0.000 1.401 370 M HN 0.477 nan 8.290 nan 0.000 0.440 371 E N -0.512 119.634 120.200 -0.090 0.000 2.385 371 E HA 0.003 4.331 4.350 -0.037 0.000 0.194 371 E C 0.679 177.250 176.600 -0.047 0.000 1.013 371 E CA -0.080 56.280 56.400 -0.067 0.000 0.866 371 E CB 0.292 29.953 29.700 -0.065 0.000 0.832 371 E HN 0.607 nan 8.360 nan 0.000 0.500 372 Q N 0.299 120.080 119.800 -0.033 0.000 2.544 372 Q HA 0.228 4.545 4.340 -0.037 0.000 0.194 372 Q C 0.666 176.681 176.000 0.026 0.000 1.104 372 Q CA -0.181 55.629 55.803 0.011 0.000 1.131 372 Q CB 0.202 28.982 28.738 0.069 0.000 1.210 372 Q HN 0.111 nan 8.270 nan 0.000 0.639 373 G N -0.244 108.594 108.800 0.062 0.000 2.599 373 G HA2 0.025 3.963 3.960 -0.037 0.000 0.264 373 G HA3 0.025 3.963 3.960 -0.037 0.000 0.264 373 G C -0.526 174.423 174.900 0.083 0.000 1.200 373 G CA -0.361 44.780 45.100 0.069 0.000 0.896 373 G HN 0.533 nan 8.290 nan 0.000 0.536 374 D N -0.929 119.470 120.400 -0.002 0.000 2.339 374 D HA 0.127 4.744 4.640 -0.037 0.000 0.217 374 D C -0.364 175.686 176.300 -0.416 0.000 1.050 374 D CA 0.186 54.071 54.000 -0.192 0.000 0.856 374 D CB 0.233 40.847 40.800 -0.311 0.000 0.922 374 D HN 0.347 nan 8.370 nan 0.000 0.518 375 W N 0.259 121.576 121.300 0.028 0.000 2.781 375 W HA 0.568 5.205 4.660 -0.037 0.000 0.345 375 W C -0.347 175.998 176.519 -0.291 0.000 1.085 375 W CA -0.772 56.538 57.345 -0.058 0.000 1.198 375 W CB 1.129 30.636 29.460 0.079 0.000 1.423 375 W HN -0.364 nan 8.180 nan 0.000 0.532 376 L N 2.921 123.907 121.223 -0.396 0.000 2.303 376 L HA 0.689 5.006 4.340 -0.037 0.000 0.266 376 L C -0.481 175.975 176.870 -0.690 0.000 1.011 376 L CA -1.221 53.164 54.840 -0.757 0.000 0.818 376 L CB 1.634 42.837 42.059 -1.427 0.000 1.326 376 L HN 0.231 nan 8.230 nan 0.000 0.435 377 I N 0.632 120.864 120.570 -0.563 0.000 2.478 377 I HA 0.480 4.628 4.170 -0.037 0.000 0.287 377 I C 0.028 176.016 176.117 -0.214 0.000 1.042 377 I CA -0.368 60.641 61.300 -0.484 0.000 1.067 377 I CB 1.985 39.706 38.000 -0.464 0.000 1.233 377 I HN 0.631 nan 8.210 nan 0.000 0.431 378 G N 3.193 112.004 108.800 0.018 0.000 2.441 378 G HA2 0.872 4.810 3.960 -0.037 0.000 0.334 378 G HA3 0.872 4.810 3.960 -0.037 0.000 0.334 378 G C -0.458 174.455 174.900 0.021 0.000 1.161 378 G CA -0.618 44.549 45.100 0.111 0.000 0.935 378 G HN 0.896 nan 8.290 nan 0.000 0.488 379 G N -0.532 108.296 108.800 0.046 0.000 2.341 379 G HA2 0.425 4.362 3.960 -0.037 0.000 0.299 379 G HA3 0.425 4.362 3.960 -0.037 0.000 0.299 379 G C -1.931 172.967 174.900 -0.002 0.000 1.274 379 G CA -0.765 44.334 45.100 -0.001 0.000 0.853 379 G HN 0.481 nan 8.290 nan 0.000 0.493 380 D N 0.636 121.019 120.400 -0.029 0.000 2.280 380 D HA 0.447 5.064 4.640 -0.037 0.000 0.243 380 D C -0.484 175.782 176.300 -0.057 0.000 1.129 380 D CA -0.045 53.933 54.000 -0.038 0.000 0.848 380 D CB 2.244 43.026 40.800 -0.029 0.000 1.107 380 D HN 0.250 nan 8.370 nan 0.000 0.471 381 L N 2.443 123.624 121.223 -0.071 0.000 2.282 381 L HA 0.226 4.543 4.340 -0.037 0.000 0.288 381 L C -0.324 176.502 176.870 -0.073 0.000 1.033 381 L CA -0.250 54.541 54.840 -0.080 0.000 0.807 381 L CB 1.342 43.318 42.059 -0.139 0.000 1.209 381 L HN 0.260 nan 8.230 nan 0.000 0.423 382 Q N 4.547 124.317 119.800 -0.050 0.000 2.394 382 Q HA 0.490 4.808 4.340 -0.037 0.000 0.259 382 Q C -1.567 174.429 176.000 -0.005 0.000 1.021 382 Q CA -0.670 55.119 55.803 -0.024 0.000 0.805 382 Q CB 1.366 30.099 28.738 -0.008 0.000 1.226 382 Q HN 0.583 nan 8.270 nan 0.000 0.476 383 V N 5.208 125.118 119.914 -0.006 0.000 2.686 383 V HA 0.251 4.349 4.120 -0.037 0.000 0.295 383 V C 0.793 176.980 176.094 0.155 0.000 1.057 383 V CA -0.201 62.123 62.300 0.039 0.000 1.012 383 V CB 1.370 33.153 31.823 -0.067 0.000 1.006 383 V HN 0.869 nan 8.190 nan 0.000 0.477 384 L N 1.135 122.443 121.223 0.142 0.000 2.838 384 L HA 0.380 4.698 4.340 -0.037 0.000 0.184 384 L C 0.183 177.107 176.870 0.090 0.000 1.336 384 L CA -0.398 54.501 54.840 0.099 0.000 2.330 384 L CB 0.040 42.135 42.059 0.060 0.000 2.220 384 L HN 0.592 nan 8.230 nan 0.000 1.026 385 D N 0.768 121.199 120.400 0.051 0.000 2.443 385 D HA 0.125 4.743 4.640 -0.037 0.000 0.239 385 D C 0.004 176.296 176.300 -0.012 0.000 1.136 385 D CA 0.097 54.102 54.000 0.008 0.000 0.879 385 D CB 0.449 41.260 40.800 0.017 0.000 1.195 385 D HN 0.084 nan 8.370 nan 0.000 0.443 386 R N 1.495 121.898 120.500 -0.163 0.000 2.623 386 R HA 0.162 4.480 4.340 -0.037 0.000 0.271 386 R C -1.157 174.951 176.300 -0.320 0.000 1.043 386 R CA -0.327 55.552 56.100 -0.368 0.000 1.083 386 R CB 0.411 30.383 30.300 -0.547 0.000 0.974 386 R HN 0.235 nan 8.270 nan 0.000 0.436 387 V N 5.727 125.440 119.914 -0.335 0.000 2.406 387 V HA 0.304 4.402 4.120 -0.037 0.000 0.272 387 V C -0.759 174.999 176.094 -0.559 0.000 1.043 387 V CA -0.122 61.980 62.300 -0.331 0.000 0.915 387 V CB 0.294 32.016 31.823 -0.169 0.000 0.988 387 V HN 0.671 nan 8.190 nan 0.000 0.466 388 Y N 2.097 122.210 120.300 -0.312 0.000 2.492 388 Y HA 0.353 4.880 4.550 -0.038 0.000 0.346 388 Y C -0.177 175.518 175.900 -0.341 0.000 0.997 388 Y CA -0.634 57.350 58.100 -0.193 0.000 1.025 388 Y CB 2.205 40.617 38.460 -0.079 0.000 1.263 388 Y HN 0.638 nan 8.280 nan 0.000 0.454 389 W N 0.428 121.877 121.300 0.249 0.000 2.993 389 W HA 0.190 4.829 4.660 -0.035 0.000 0.290 389 W C 0.040 176.636 176.519 0.129 0.000 1.203 389 W CA -0.118 57.327 57.345 0.167 0.000 1.582 389 W CB 0.510 30.043 29.460 0.122 0.000 1.033 389 W HN 0.523 nan 8.180 nan 0.000 0.594 390 N N 1.726 120.589 118.700 0.272 0.000 2.783 390 N HA -0.167 4.551 4.740 -0.037 0.000 0.247 390 N C -0.173 175.418 175.510 0.135 0.000 1.089 390 N CA 1.628 54.761 53.050 0.139 0.000 0.690 390 N CB -1.673 36.873 38.487 0.099 0.000 0.991 390 N HN 0.465 nan 8.380 nan 0.000 0.552 391 D N -2.160 118.336 120.400 0.160 0.000 2.500 391 D HA 0.306 4.924 4.640 -0.037 0.000 0.217 391 D C 1.278 177.618 176.300 0.068 0.000 1.159 391 D CA 0.696 54.764 54.000 0.115 0.000 0.828 391 D CB 0.005 40.884 40.800 0.132 0.000 1.039 391 D HN 0.376 nan 8.370 nan 0.000 0.512 392 G N 0.567 109.408 108.800 0.070 0.000 2.176 392 G HA2 -0.240 3.698 3.960 -0.037 0.000 0.232 392 G HA3 -0.240 3.698 3.960 -0.037 0.000 0.232 392 G C 0.676 175.620 174.900 0.073 0.000 0.986 392 G CA 0.337 45.461 45.100 0.040 0.000 0.643 392 G HN 0.379 nan 8.290 nan 0.000 0.522 393 L N 0.170 121.469 121.223 0.127 0.000 2.878 393 L HA 0.236 4.554 4.340 -0.037 0.000 0.253 393 L C 1.664 178.668 176.870 0.224 0.000 1.135 393 L CA 0.184 55.155 54.840 0.218 0.000 0.943 393 L CB 0.093 42.266 42.059 0.189 0.000 1.307 393 L HN -0.014 nan 8.230 nan 0.000 0.545 394 D N 1.312 121.838 120.400 0.209 0.000 2.322 394 D HA -0.223 4.395 4.640 -0.037 0.000 0.210 394 D C 2.064 178.460 176.300 0.161 0.000 0.983 394 D CA 1.163 55.319 54.000 0.261 0.000 0.902 394 D CB 0.119 41.107 40.800 0.314 0.000 0.905 394 D HN 0.527 nan 8.370 nan 0.000 0.483 395 Q N -0.183 119.616 119.800 -0.002 0.000 2.297 395 Q HA -0.167 4.150 4.340 -0.037 0.000 0.204 395 Q C 1.283 177.173 176.000 -0.182 0.000 0.962 395 Q CA 0.954 56.663 55.803 -0.157 0.000 0.879 395 Q CB -0.649 27.887 28.738 -0.337 0.000 0.947 395 Q HN 0.415 nan 8.270 nan 0.000 0.462 396 Y N 0.996 121.350 120.300 0.089 0.000 2.523 396 Y HA 0.241 4.769 4.550 -0.037 0.000 0.279 396 Y C 0.903 176.881 175.900 0.130 0.000 1.139 396 Y CA -0.020 58.133 58.100 0.088 0.000 1.296 396 Y CB 0.459 38.960 38.460 0.067 0.000 1.045 396 Y HN -0.036 nan 8.280 nan 0.000 0.538 397 R N 1.191 121.861 120.500 0.283 0.000 3.570 397 R HA 0.213 4.531 4.340 -0.037 0.000 0.233 397 R C -1.129 175.324 176.300 0.255 0.000 1.492 397 R CA -0.376 55.892 56.100 0.280 0.000 1.504 397 R CB -0.230 30.241 30.300 0.284 0.000 1.314 397 R HN 0.026 nan 8.270 nan 0.000 0.687 398 L N 1.055 122.435 121.223 0.262 0.000 2.395 398 L HA 0.167 4.485 4.340 -0.037 0.000 0.269 398 L C 1.264 178.311 176.870 0.294 0.000 1.133 398 L CA 0.220 55.182 54.840 0.204 0.000 0.812 398 L CB 1.241 43.377 42.059 0.128 0.000 1.125 398 L HN 0.385 nan 8.230 nan 0.000 0.452 399 T N -0.175 114.477 114.554 0.164 0.000 2.816 399 T HA 0.317 4.645 4.350 -0.037 0.000 0.282 399 T C -1.933 172.699 174.700 -0.112 0.000 0.993 399 T CA -1.519 60.626 62.100 0.075 0.000 0.994 399 T CB 0.864 69.743 68.868 0.018 0.000 1.025 399 T HN 0.431 nan 8.240 nan 0.000 0.529 400 P HA -0.024 nan 4.420 nan 0.000 0.218 400 P C 1.599 178.767 177.300 -0.220 0.000 1.149 400 P CA 0.992 63.820 63.100 -0.452 0.000 0.817 400 P CB -0.250 31.034 31.700 -0.693 0.000 0.785 401 T N -0.172 114.277 114.554 -0.175 0.000 2.674 401 T HA -0.175 4.152 4.350 -0.037 0.000 0.265 401 T C 1.621 176.254 174.700 -0.112 0.000 1.039 401 T CA 1.456 63.490 62.100 -0.109 0.000 1.150 401 T CB -0.811 68.013 68.868 -0.072 0.000 0.864 401 T HN 0.296 nan 8.240 nan 0.000 0.427 402 E N 0.707 120.851 120.200 -0.094 0.000 2.070 402 E HA -0.141 4.186 4.350 -0.037 0.000 0.197 402 E C 2.240 178.720 176.600 -0.200 0.000 1.004 402 E CA 1.114 57.456 56.400 -0.098 0.000 0.805 402 E CB -0.377 29.301 29.700 -0.037 0.000 0.744 402 E HN 0.393 nan 8.360 nan 0.000 0.451 403 L N 0.799 121.869 121.223 -0.256 0.000 2.017 403 L HA -0.212 4.106 4.340 -0.037 0.000 0.208 403 L C 2.390 178.715 176.870 -0.909 0.000 1.073 403 L CA 1.316 55.810 54.840 -0.577 0.000 0.745 403 L CB -0.296 41.528 42.059 -0.392 0.000 0.894 403 L HN 0.049 nan 8.230 nan 0.000 0.432 404 K N -0.585 119.559 120.400 -0.426 0.000 2.097 404 K HA -0.242 4.056 4.320 -0.037 0.000 0.206 404 K C 2.141 178.651 176.600 -0.150 0.000 1.049 404 K CA 1.213 57.391 56.287 -0.182 0.000 0.933 404 K CB -0.154 32.333 32.500 -0.022 0.000 0.717 404 K HN 0.114 nan 8.250 nan 0.000 0.442 405 Q N 1.927 121.632 119.800 -0.159 0.000 2.096 405 Q HA -0.205 4.112 4.340 -0.037 0.000 0.204 405 Q C 1.890 177.826 176.000 -0.107 0.000 0.982 405 Q CA 1.820 57.565 55.803 -0.097 0.000 0.850 405 Q CB -0.100 28.589 28.738 -0.082 0.000 0.901 405 Q HN 0.031 nan 8.270 nan 0.000 0.422 406 K N -0.791 119.472 120.400 -0.230 0.000 2.097 406 K HA -0.083 4.215 4.320 -0.037 0.000 0.205 406 K C 1.522 178.099 176.600 -0.039 0.000 1.050 406 K CA 1.245 57.429 56.287 -0.172 0.000 0.938 406 K CB -0.356 31.985 32.500 -0.265 0.000 0.718 406 K HN 0.213 nan 8.250 nan 0.000 0.442 407 F N 1.152 121.116 119.950 0.024 0.000 2.259 407 F HA 0.050 4.554 4.527 -0.038 0.000 0.298 407 F C 2.131 177.948 175.800 0.029 0.000 1.088 407 F CA 0.985 59.002 58.000 0.028 0.000 1.358 407 F CB -0.656 38.362 39.000 0.030 0.000 1.040 407 F HN 0.106 nan 8.300 nan 0.000 0.505 408 K N 0.583 121.080 120.400 0.163 0.000 2.044 408 K HA -0.138 4.159 4.320 -0.037 0.000 0.204 408 K C 1.406 178.055 176.600 0.083 0.000 1.049 408 K CA 1.646 58.001 56.287 0.113 0.000 0.945 408 K CB -0.245 32.297 32.500 0.072 0.000 0.724 408 K HN 0.015 nan 8.250 nan 0.000 0.440 409 D N 0.920 121.355 120.400 0.059 0.000 2.182 409 D HA -0.157 4.461 4.640 -0.037 0.000 0.201 409 D C 1.651 177.987 176.300 0.060 0.000 0.986 409 D CA 1.319 55.346 54.000 0.045 0.000 0.847 409 D CB -0.032 40.783 40.800 0.024 0.000 0.942 409 D HN 0.370 nan 8.370 nan 0.000 0.467 410 M N -0.569 119.086 119.600 0.090 0.000 2.561 410 M HA 0.044 4.502 4.480 -0.037 0.000 0.238 410 M C 0.296 176.651 176.300 0.092 0.000 1.131 410 M CA 0.029 55.386 55.300 0.094 0.000 1.046 410 M CB -0.041 32.636 32.600 0.128 0.000 1.532 410 M HN -0.052 nan 8.290 nan 0.000 0.497 411 N N 1.391 120.148 118.700 0.094 0.000 2.735 411 N HA -0.142 4.576 4.740 -0.037 0.000 0.248 411 N C -0.400 175.165 175.510 0.093 0.000 1.083 411 N CA 0.035 53.136 53.050 0.086 0.000 0.703 411 N CB -0.133 38.392 38.487 0.064 0.000 1.005 411 N HN 0.460 nan 8.380 nan 0.000 0.550 412 A N 0.864 123.751 122.820 0.112 0.000 2.425 412 A HA 0.140 4.438 4.320 -0.037 0.000 0.242 412 A C 1.053 178.690 177.584 0.089 0.000 1.077 412 A CA 0.518 52.606 52.037 0.085 0.000 0.781 412 A CB 0.283 19.304 19.000 0.036 0.000 1.020 412 A HN 0.521 nan 8.150 nan 0.000 0.494 413 D N -0.486 119.976 120.400 0.103 0.000 2.431 413 D HA 0.447 5.065 4.640 -0.037 0.000 0.213 413 D C -0.063 176.345 176.300 0.180 0.000 1.130 413 D CA 0.726 54.823 54.000 0.163 0.000 0.834 413 D CB 0.196 41.126 40.800 0.217 0.000 0.985 413 D HN 0.790 nan 8.370 nan 0.000 0.504 414 A N -0.080 122.750 122.820 0.016 0.000 2.532 414 A HA 0.548 4.845 4.320 -0.037 0.000 0.296 414 A C -1.665 175.836 177.584 -0.138 0.000 1.058 414 A CA -0.697 51.267 52.037 -0.122 0.000 0.729 414 A CB 1.707 20.396 19.000 -0.518 0.000 1.285 414 A HN -0.003 nan 8.150 nan 0.000 0.396 415 V N 2.564 122.393 119.914 -0.142 0.000 2.409 415 V HA 0.638 4.736 4.120 -0.037 0.000 0.291 415 V C 0.159 176.208 176.094 -0.074 0.000 1.020 415 V CA -0.328 61.793 62.300 -0.298 0.000 0.848 415 V CB 1.670 33.084 31.823 -0.682 0.000 0.990 415 V HN 1.067 nan 8.190 nan 0.000 0.430 416 S N 3.599 119.263 115.700 -0.061 0.000 2.475 416 S HA 0.898 5.346 4.470 -0.037 0.000 0.298 416 S C -0.195 174.411 174.600 0.010 0.000 1.119 416 S CA -0.604 57.624 58.200 0.047 0.000 1.085 416 S CB 2.001 65.214 63.200 0.022 0.000 1.028 416 S HN 1.099 nan 8.310 nan 0.000 0.489 417 A N 2.156 125.003 122.820 0.045 0.000 2.337 417 A HA 0.795 5.093 4.320 -0.037 0.000 0.329 417 A C -1.234 176.329 177.584 -0.035 0.000 1.146 417 A CA -0.662 51.397 52.037 0.036 0.000 0.800 417 A CB 0.629 19.696 19.000 0.112 0.000 1.220 417 A HN 0.855 nan 8.150 nan 0.000 0.472 418 F N 1.901 121.748 119.950 -0.172 0.000 2.500 418 F HA 0.481 4.985 4.527 -0.038 0.000 0.349 418 F C 0.129 175.797 175.800 -0.220 0.000 1.127 418 F CA -0.468 57.378 58.000 -0.256 0.000 0.998 418 F CB 1.760 40.632 39.000 -0.213 0.000 1.237 418 F HN 0.712 nan 8.300 nan 0.000 0.439 419 Q N 5.794 125.217 119.800 -0.628 0.000 2.293 419 Q HA 0.648 4.966 4.340 -0.037 0.000 0.251 419 Q C -1.886 173.645 176.000 -0.782 0.000 0.930 419 Q CA -0.222 55.243 55.803 -0.563 0.000 0.893 419 Q CB 1.273 29.681 28.738 -0.550 0.000 1.215 419 Q HN 0.567 nan 8.270 nan 0.000 0.425 420 L N 1.232 122.165 121.223 -0.485 0.000 2.518 420 L HA 0.572 4.890 4.340 -0.037 0.000 0.257 420 L C -0.316 176.419 176.870 -0.227 0.000 0.980 420 L CA -0.859 53.748 54.840 -0.388 0.000 0.837 420 L CB 1.226 43.120 42.059 -0.276 0.000 1.410 420 L HN 0.932 nan 8.230 nan 0.000 0.410 421 R N -0.428 119.975 120.500 -0.162 0.000 2.509 421 R HA 0.455 4.773 4.340 -0.037 0.000 0.297 421 R C -0.568 175.730 176.300 -0.003 0.000 0.951 421 R CA -0.330 55.724 56.100 -0.077 0.000 1.103 421 R CB 0.274 30.533 30.300 -0.068 0.000 1.283 421 R HN 0.768 nan 8.270 nan 0.000 0.534 422 N N 1.122 119.821 118.700 -0.001 0.000 2.362 422 N HA 0.410 5.127 4.740 -0.037 0.000 0.299 422 N C -2.857 172.714 175.510 0.102 0.000 1.170 422 N CA -2.273 50.818 53.050 0.068 0.000 0.825 422 N CB 1.946 40.509 38.487 0.127 0.000 1.299 422 N HN -0.144 nan 8.380 nan 0.000 0.502 423 P HA -0.058 nan 4.420 nan 0.000 0.264 423 P C -0.829 176.562 177.300 0.151 0.000 1.179 423 P CA 0.105 63.339 63.100 0.224 0.000 0.763 423 P CB 0.450 32.283 31.700 0.220 0.000 0.806 424 V N 5.197 125.111 119.914 0.000 0.000 2.439 424 V HA 0.091 4.188 4.120 -0.037 0.000 0.271 424 V C 0.991 177.126 176.094 0.067 0.000 1.040 424 V CA 0.011 62.294 62.300 -0.027 0.000 1.002 424 V CB -0.610 31.064 31.823 -0.247 0.000 1.000 424 V HN 0.663 nan 8.190 nan 0.000 0.477 425 H N 3.826 122.943 119.070 0.078 0.000 2.585 425 H HA 0.430 4.964 4.556 -0.037 0.000 0.338 425 H C 0.038 175.163 175.328 -0.337 0.000 1.295 425 H CA -1.058 54.756 56.048 -0.390 0.000 1.356 425 H CB 1.035 30.222 29.762 -0.959 0.000 1.736 425 H HN 0.395 nan 8.280 nan 0.000 0.629 426 N N -0.168 118.371 118.700 -0.268 0.000 2.515 426 N HA -0.024 4.694 4.740 -0.037 0.000 0.185 426 N C 1.916 177.290 175.510 -0.227 0.000 1.109 426 N CA 0.786 53.708 53.050 -0.212 0.000 0.903 426 N CB -0.373 38.041 38.487 -0.121 0.000 0.969 426 N HN 0.800 nan 8.380 nan 0.000 0.450 427 G N 0.880 109.561 108.800 -0.199 0.000 2.421 427 G HA2 -0.231 3.707 3.960 -0.037 0.000 0.216 427 G HA3 -0.231 3.707 3.960 -0.037 0.000 0.216 427 G C 1.231 175.864 174.900 -0.446 0.000 1.171 427 G CA 0.627 45.579 45.100 -0.247 0.000 0.775 427 G HN 0.390 nan 8.290 nan 0.000 0.543 428 H N 1.020 119.753 119.070 -0.562 0.000 2.353 428 H HA -0.001 4.531 4.556 -0.038 0.000 0.300 428 H C 2.958 177.925 175.328 -0.601 0.000 1.090 428 H CA 1.246 56.992 56.048 -0.503 0.000 1.327 428 H CB -0.784 28.672 29.762 -0.510 0.000 1.383 428 H HN 0.387 nan 8.280 nan 0.000 0.508 429 A N 1.469 124.073 122.820 -0.360 0.000 1.933 429 A HA -0.131 4.167 4.320 -0.037 0.000 0.218 429 A C 2.524 179.914 177.584 -0.323 0.000 1.175 429 A CA 1.316 53.142 52.037 -0.351 0.000 0.628 429 A CB -0.736 18.116 19.000 -0.247 0.000 0.814 429 A HN 0.283 nan 8.150 nan 0.000 0.444 430 L N -0.794 120.252 121.223 -0.296 0.000 2.046 430 L HA -0.119 4.198 4.340 -0.037 0.000 0.208 430 L C 2.073 178.750 176.870 -0.321 0.000 1.077 430 L CA 1.669 56.351 54.840 -0.264 0.000 0.747 430 L CB -0.635 41.245 42.059 -0.298 0.000 0.896 430 L HN 0.256 nan 8.230 nan 0.000 0.432 431 L N -1.035 119.915 121.223 -0.455 0.000 2.046 431 L HA -0.165 4.153 4.340 -0.037 0.000 0.208 431 L C 2.498 179.009 176.870 -0.598 0.000 1.077 431 L CA 1.951 56.299 54.840 -0.819 0.000 0.747 431 L CB -0.852 40.774 42.059 -0.721 0.000 0.896 431 L HN 0.285 nan 8.230 nan 0.000 0.432 432 M N -1.642 117.657 119.600 -0.501 0.000 2.175 432 M HA -0.233 4.225 4.480 -0.037 0.000 0.264 432 M C 2.261 178.448 176.300 -0.189 0.000 1.063 432 M CA 1.556 56.637 55.300 -0.364 0.000 1.119 432 M CB -0.384 31.924 32.600 -0.487 0.000 1.377 432 M HN 0.276 nan 8.290 nan 0.000 0.415 433 Q N 0.138 119.831 119.800 -0.178 0.000 2.123 433 Q HA -0.144 4.174 4.340 -0.037 0.000 0.199 433 Q C 1.435 177.441 176.000 0.010 0.000 0.966 433 Q CA 1.143 56.907 55.803 -0.067 0.000 0.845 433 Q CB 0.015 28.704 28.738 -0.082 0.000 0.907 433 Q HN 0.401 nan 8.270 nan 0.000 0.439 434 D N -0.548 119.849 120.400 -0.006 0.000 2.194 434 D HA -0.063 4.554 4.640 -0.037 0.000 0.204 434 D C 1.642 178.043 176.300 0.169 0.000 0.964 434 D CA 0.997 55.067 54.000 0.117 0.000 0.846 434 D CB -0.021 40.929 40.800 0.252 0.000 0.962 434 D HN 0.120 nan 8.370 nan 0.000 0.490 435 T N -0.786 113.865 114.554 0.162 0.000 2.746 435 T HA -0.185 4.143 4.350 -0.037 0.000 0.267 435 T C 1.687 176.377 174.700 -0.017 0.000 1.039 435 T CA 1.382 63.567 62.100 0.142 0.000 1.142 435 T CB -0.365 68.581 68.868 0.129 0.000 0.866 435 T HN 0.307 nan 8.240 nan 0.000 0.444 436 H N 1.123 120.147 119.070 -0.076 0.000 2.352 436 H HA -0.027 4.507 4.556 -0.037 0.000 0.299 436 H C 2.272 177.563 175.328 -0.062 0.000 1.097 436 H CA 1.730 57.722 56.048 -0.092 0.000 1.311 436 H CB -0.000 29.709 29.762 -0.088 0.000 1.377 436 H HN 0.173 nan 8.280 nan 0.000 0.504 437 K N -0.112 120.261 120.400 -0.046 0.000 2.057 437 K HA -0.144 4.153 4.320 -0.037 0.000 0.207 437 K C 2.459 179.009 176.600 -0.084 0.000 1.049 437 K CA 1.810 58.061 56.287 -0.061 0.000 0.931 437 K CB 0.015 32.525 32.500 0.017 0.000 0.714 437 K HN 0.456 nan 8.250 nan 0.000 0.440 438 Q N 0.147 119.912 119.800 -0.058 0.000 2.119 438 Q HA -0.083 4.235 4.340 -0.037 0.000 0.201 438 Q C 2.036 177.967 176.000 -0.114 0.000 0.972 438 Q CA 1.118 56.883 55.803 -0.064 0.000 0.847 438 Q CB -0.044 28.666 28.738 -0.047 0.000 0.903 438 Q HN 0.263 nan 8.270 nan 0.000 0.433 439 L N 0.265 121.358 121.223 -0.218 0.000 2.012 439 L HA -0.232 4.085 4.340 -0.037 0.000 0.210 439 L C 2.324 179.171 176.870 -0.037 0.000 1.073 439 L CA 1.138 55.845 54.840 -0.221 0.000 0.748 439 L CB -0.602 41.178 42.059 -0.463 0.000 0.891 439 L HN 0.302 nan 8.230 nan 0.000 0.431 440 L N -0.161 120.967 121.223 -0.159 0.000 2.012 440 L HA -0.230 4.087 4.340 -0.037 0.000 0.210 440 L C 2.643 179.479 176.870 -0.057 0.000 1.073 440 L CA 1.440 56.212 54.840 -0.113 0.000 0.748 440 L CB -0.491 41.467 42.059 -0.168 0.000 0.891 440 L HN 0.294 nan 8.230 nan 0.000 0.431 441 E N 0.618 120.785 120.200 -0.054 0.000 2.204 441 E HA -0.194 4.134 4.350 -0.037 0.000 0.194 441 E C 2.151 178.738 176.600 -0.023 0.000 0.989 441 E CA 1.218 57.598 56.400 -0.033 0.000 0.824 441 E CB 0.014 29.698 29.700 -0.027 0.000 0.756 441 E HN 0.275 nan 8.360 nan 0.000 0.477 442 R N -1.340 119.158 120.500 -0.002 0.000 2.193 442 R HA 0.167 4.485 4.340 -0.037 0.000 0.213 442 R C 1.176 177.426 176.300 -0.083 0.000 1.055 442 R CA 0.778 56.882 56.100 0.005 0.000 0.995 442 R CB 0.308 30.675 30.300 0.112 0.000 0.893 442 R HN 0.356 nan 8.270 nan 0.000 0.459 443 G N -1.024 107.721 108.800 -0.090 0.000 2.318 443 G HA2 -0.203 3.734 3.960 -0.037 0.000 0.172 443 G HA3 -0.203 3.734 3.960 -0.037 0.000 0.172 443 G C -0.285 174.488 174.900 -0.213 0.000 1.002 443 G CA -0.720 44.273 45.100 -0.178 0.000 0.697 443 G HN 0.165 nan 8.290 nan 0.000 0.483 444 Y N 0.872 121.133 120.300 -0.064 0.000 2.336 444 Y HA 0.611 5.139 4.550 -0.037 0.000 0.331 444 Y C 1.750 177.611 175.900 -0.065 0.000 1.211 444 Y CA -0.234 57.833 58.100 -0.055 0.000 1.346 444 Y CB 0.730 39.150 38.460 -0.068 0.000 1.271 444 Y HN -0.061 nan 8.280 nan 0.000 0.538 445 R N 1.101 121.666 120.500 0.109 0.000 2.394 445 R HA 0.208 4.525 4.340 -0.037 0.000 0.220 445 R C 0.056 176.395 176.300 0.065 0.000 0.887 445 R CA 0.034 56.165 56.100 0.051 0.000 1.034 445 R CB 0.502 30.821 30.300 0.031 0.000 1.179 445 R HN 0.621 nan 8.270 nan 0.000 0.561 446 R N 1.092 121.647 120.500 0.092 0.000 2.701 446 R HA 0.227 4.545 4.340 -0.037 0.000 0.281 446 R C -2.592 173.754 176.300 0.076 0.000 1.367 446 R CA -1.217 54.934 56.100 0.085 0.000 1.510 446 R CB 1.505 31.852 30.300 0.078 0.000 1.306 446 R HN -0.017 nan 8.270 nan 0.000 0.682 447 P HA 0.025 nan 4.420 nan 0.000 0.267 447 P C -0.316 177.026 177.300 0.070 0.000 1.205 447 P CA 0.189 63.297 63.100 0.012 0.000 0.765 447 P CB 1.650 33.314 31.700 -0.060 0.000 0.828 448 V N 4.375 124.278 119.914 -0.019 0.000 2.864 448 V HA 0.361 4.458 4.120 -0.037 0.000 0.314 448 V C 0.115 176.161 176.094 -0.079 0.000 1.073 448 V CA -0.904 61.376 62.300 -0.033 0.000 0.956 448 V CB 2.074 33.869 31.823 -0.045 0.000 1.023 448 V HN 0.404 nan 8.190 nan 0.000 0.435 449 L N 4.302 125.494 121.223 -0.052 0.000 2.313 449 L HA 0.657 4.974 4.340 -0.037 0.000 0.283 449 L C -0.848 176.008 176.870 -0.023 0.000 1.013 449 L CA -0.356 54.452 54.840 -0.053 0.000 0.816 449 L CB 1.331 43.347 42.059 -0.071 0.000 1.236 449 L HN 0.626 nan 8.230 nan 0.000 0.419 450 L N 6.020 127.231 121.223 -0.020 0.000 2.257 450 L HA 0.512 4.830 4.340 -0.037 0.000 0.290 450 L C -1.155 175.753 176.870 0.062 0.000 1.044 450 L CA -0.215 54.657 54.840 0.052 0.000 0.810 450 L CB 1.200 43.315 42.059 0.094 0.000 1.193 450 L HN 0.711 nan 8.230 nan 0.000 0.425 451 L N 5.737 126.993 121.223 0.056 0.000 2.262 451 L HA 0.374 4.692 4.340 -0.037 0.000 0.288 451 L C -0.572 176.380 176.870 0.136 0.000 1.035 451 L CA 0.345 55.233 54.840 0.081 0.000 0.820 451 L CB 0.399 42.469 42.059 0.019 0.000 1.204 451 L HN 0.754 nan 8.230 nan 0.000 0.424 452 H N 5.757 124.859 119.070 0.053 0.000 2.500 452 H HA 0.356 4.889 4.556 -0.038 0.000 0.243 452 H C -2.332 172.990 175.328 -0.011 0.000 1.318 452 H CA -2.236 53.829 56.048 0.029 0.000 1.077 452 H CB 0.534 30.290 29.762 -0.010 0.000 1.748 452 H HN 0.543 nan 8.280 nan 0.000 0.556 453 P HA -0.128 nan 4.420 nan 0.000 0.266 453 P C 0.074 177.392 177.300 0.031 0.000 1.193 453 P CA 0.201 63.347 63.100 0.076 0.000 0.770 453 P CB 1.677 33.457 31.700 0.134 0.000 0.836 454 L N 1.855 123.057 121.223 -0.036 0.000 2.395 454 L HA 0.553 4.870 4.340 -0.037 0.000 0.269 454 L C 1.095 177.913 176.870 -0.086 0.000 1.133 454 L CA 0.278 55.102 54.840 -0.026 0.000 0.812 454 L CB 0.768 42.808 42.059 -0.031 0.000 1.125 454 L HN 0.552 nan 8.230 nan 0.000 0.452 455 G N 2.515 111.225 108.800 -0.150 0.000 3.815 455 G HA2 0.286 4.223 3.960 -0.037 0.000 0.265 455 G HA3 0.286 4.223 3.960 -0.037 0.000 0.265 455 G C 0.225 174.974 174.900 -0.252 0.000 1.026 455 G CA 0.328 45.319 45.100 -0.182 0.000 0.868 455 G HN 0.916 nan 8.290 nan 0.000 0.476 456 G N -0.594 108.053 108.800 -0.255 0.000 2.535 456 G HA2 0.377 4.314 3.960 -0.037 0.000 0.282 456 G HA3 0.377 4.314 3.960 -0.037 0.000 0.282 456 G C -0.223 174.617 174.900 -0.100 0.000 1.350 456 G CA -1.089 43.861 45.100 -0.250 0.000 1.039 456 G HN 0.240 nan 8.290 nan 0.000 0.509 457 W N 1.160 122.353 121.300 -0.179 0.000 2.477 457 W HA 0.297 4.936 4.660 -0.034 0.000 0.339 457 W C 0.603 177.155 176.519 0.055 0.000 1.195 457 W CA 1.126 58.445 57.345 -0.043 0.000 1.324 457 W CB 0.296 29.771 29.460 0.023 0.000 1.170 457 W HN 0.631 nan 8.180 nan 0.000 0.570 458 T N 3.363 117.426 114.554 -0.818 0.000 2.900 458 T HA 0.423 4.750 4.350 -0.037 0.000 0.303 458 T C -0.597 173.347 174.700 -1.260 0.000 1.142 458 T CA -1.423 60.276 62.100 -0.670 0.000 1.007 458 T CB 1.585 70.295 68.868 -0.262 0.000 1.156 458 T HN 0.598 nan 8.240 nan 0.000 0.490 459 K N 1.139 121.127 120.400 -0.686 0.000 2.219 459 K HA 0.247 4.545 4.320 -0.037 0.000 0.258 459 K C -0.058 176.341 176.600 -0.335 0.000 1.008 459 K CA -0.493 55.447 56.287 -0.578 0.000 0.928 459 K CB 0.392 32.656 32.500 -0.394 0.000 0.983 459 K HN 0.357 nan 8.250 nan 0.000 0.484 460 D N 1.402 121.688 120.400 -0.190 0.000 2.149 460 D HA -0.193 4.424 4.640 -0.037 0.000 0.194 460 D C 1.120 177.386 176.300 -0.056 0.000 1.001 460 D CA 1.853 55.799 54.000 -0.090 0.000 0.849 460 D CB -0.191 40.593 40.800 -0.027 0.000 0.939 460 D HN 0.792 nan 8.370 nan 0.000 0.449 461 D N -0.239 120.129 120.400 -0.053 0.000 2.339 461 D HA -0.035 4.583 4.640 -0.037 0.000 0.217 461 D C -0.069 176.246 176.300 0.025 0.000 1.050 461 D CA -0.186 53.816 54.000 0.003 0.000 0.856 461 D CB -0.296 40.508 40.800 0.008 0.000 0.922 461 D HN -0.036 nan 8.370 nan 0.000 0.518 462 D N 0.281 120.668 120.400 -0.021 0.000 2.357 462 D HA 0.100 4.718 4.640 -0.037 0.000 0.242 462 D C 0.137 176.413 176.300 -0.039 0.000 1.153 462 D CA -0.474 53.525 54.000 -0.002 0.000 0.918 462 D CB 1.562 42.355 40.800 -0.011 0.000 1.181 462 D HN -0.182 nan 8.370 nan 0.000 0.435 463 V N 3.555 123.405 119.914 -0.106 0.000 2.540 463 V HA 0.092 4.190 4.120 -0.037 0.000 0.297 463 V C -1.872 174.068 176.094 -0.257 0.000 1.024 463 V CA -1.020 61.058 62.300 -0.371 0.000 1.105 463 V CB 0.321 31.876 31.823 -0.448 0.000 0.938 463 V HN 0.502 nan 8.190 nan 0.000 0.482 464 P HA 0.016 nan 4.420 nan 0.000 0.266 464 P C 0.728 177.969 177.300 -0.100 0.000 1.195 464 P CA -0.293 62.764 63.100 -0.071 0.000 0.768 464 P CB 0.537 32.282 31.700 0.075 0.000 0.838 465 L N 3.886 125.032 121.223 -0.128 0.000 2.010 465 L HA -0.259 4.059 4.340 -0.037 0.000 0.219 465 L C 2.110 178.865 176.870 -0.192 0.000 1.077 465 L CA 2.295 57.040 54.840 -0.159 0.000 0.773 465 L CB -1.269 40.695 42.059 -0.158 0.000 0.892 465 L HN 0.362 nan 8.230 nan 0.000 0.436 466 M N -1.190 118.291 119.600 -0.198 0.000 2.073 466 M HA -0.270 4.188 4.480 -0.037 0.000 0.258 466 M C 2.071 178.160 176.300 -0.352 0.000 1.070 466 M CA 2.151 57.272 55.300 -0.299 0.000 1.103 466 M CB -1.015 31.361 32.600 -0.373 0.000 1.321 466 M HN 0.373 nan 8.290 nan 0.000 0.405 467 W N 0.084 121.250 121.300 -0.223 0.000 2.338 467 W HA -0.173 4.476 4.660 -0.020 0.000 0.304 467 W C 2.513 178.842 176.519 -0.315 0.000 1.212 467 W CA 1.521 58.704 57.345 -0.270 0.000 1.264 467 W CB -0.427 28.789 29.460 -0.407 0.000 1.142 467 W HN 0.198 nan 8.180 nan 0.000 0.512 468 R N -0.657 119.756 120.500 -0.147 0.000 2.075 468 R HA -0.150 4.167 4.340 -0.037 0.000 0.232 468 R C 2.212 178.114 176.300 -0.664 0.000 1.126 468 R CA 1.417 57.333 56.100 -0.306 0.000 0.963 468 R CB -0.599 29.557 30.300 -0.241 0.000 0.858 468 R HN 0.141 nan 8.270 nan 0.000 0.435 469 M N 0.999 120.276 119.600 -0.538 0.000 2.108 469 M HA -0.176 4.282 4.480 -0.037 0.000 0.261 469 M C 1.911 177.990 176.300 -0.368 0.000 1.066 469 M CA 1.690 56.647 55.300 -0.571 0.000 1.107 469 M CB -0.756 31.572 32.600 -0.454 0.000 1.356 469 M HN 0.070 nan 8.290 nan 0.000 0.406 470 K N -0.210 120.043 120.400 -0.245 0.000 2.097 470 K HA -0.182 4.115 4.320 -0.037 0.000 0.206 470 K C 2.152 178.722 176.600 -0.049 0.000 1.049 470 K CA 1.016 57.229 56.287 -0.123 0.000 0.933 470 K CB -0.219 32.208 32.500 -0.122 0.000 0.717 470 K HN 0.362 nan 8.250 nan 0.000 0.442 471 Q N 0.534 120.307 119.800 -0.046 0.000 2.119 471 Q HA -0.160 4.157 4.340 -0.037 0.000 0.201 471 Q C 1.770 177.855 176.000 0.142 0.000 0.972 471 Q CA 1.609 57.450 55.803 0.064 0.000 0.847 471 Q CB 0.055 28.852 28.738 0.097 0.000 0.903 471 Q HN 0.474 nan 8.270 nan 0.000 0.433 472 H N -0.072 118.977 119.070 -0.036 0.000 2.395 472 H HA 0.105 4.639 4.556 -0.038 0.000 0.299 472 H C 1.958 177.260 175.328 -0.043 0.000 1.070 472 H CA 1.067 57.086 56.048 -0.049 0.000 1.356 472 H CB -0.775 28.939 29.762 -0.081 0.000 1.401 472 H HN 0.352 nan 8.280 nan 0.000 0.524 473 A N 1.329 124.170 122.820 0.035 0.000 1.958 473 A HA -0.195 4.102 4.320 -0.037 0.000 0.221 473 A C 2.631 180.241 177.584 0.044 0.000 1.178 473 A CA 2.214 54.269 52.037 0.029 0.000 0.642 473 A CB -0.937 18.069 19.000 0.011 0.000 0.816 473 A HN 0.478 nan 8.150 nan 0.000 0.453 474 A N -1.043 121.809 122.820 0.052 0.000 1.929 474 A HA 0.129 4.427 4.320 -0.037 0.000 0.216 474 A C 2.154 179.770 177.584 0.053 0.000 1.176 474 A CA 1.398 53.469 52.037 0.056 0.000 0.628 474 A CB -0.677 18.367 19.000 0.072 0.000 0.816 474 A HN 0.377 nan 8.150 nan 0.000 0.444 475 V N -0.185 119.763 119.914 0.056 0.000 2.490 475 V HA -0.208 3.890 4.120 -0.037 0.000 0.250 475 V C 2.453 178.548 176.094 0.002 0.000 1.061 475 V CA 1.813 64.128 62.300 0.024 0.000 1.064 475 V CB -0.532 31.291 31.823 0.001 0.000 0.670 475 V HN 0.553 nan 8.190 nan 0.000 0.461 476 L N -0.368 120.863 121.223 0.013 0.000 2.127 476 L HA -0.078 4.240 4.340 -0.037 0.000 0.203 476 L C 2.581 179.456 176.870 0.009 0.000 1.080 476 L CA 1.531 56.371 54.840 0.001 0.000 0.768 476 L CB -0.444 41.623 42.059 0.014 0.000 0.924 476 L HN 0.390 nan 8.230 nan 0.000 0.444 477 E N 0.424 120.637 120.200 0.022 0.000 2.160 477 E HA -0.252 4.075 4.350 -0.037 0.000 0.195 477 E C 1.523 178.133 176.600 0.017 0.000 0.991 477 E CA 1.269 57.683 56.400 0.022 0.000 0.810 477 E CB 0.084 29.802 29.700 0.030 0.000 0.742 477 E HN 0.453 nan 8.360 nan 0.000 0.466 478 E N -0.552 119.659 120.200 0.018 0.000 2.502 478 E HA -0.007 4.321 4.350 -0.037 0.000 0.194 478 E C 1.091 177.690 176.600 -0.001 0.000 1.062 478 E CA 0.644 57.052 56.400 0.014 0.000 0.867 478 E CB 0.428 30.141 29.700 0.022 0.000 0.888 478 E HN 0.521 nan 8.360 nan 0.000 0.510 479 G N 1.275 110.068 108.800 -0.011 0.000 2.153 479 G HA2 -0.305 3.632 3.960 -0.037 0.000 0.252 479 G HA3 -0.305 3.632 3.960 -0.037 0.000 0.252 479 G C 1.100 175.974 174.900 -0.043 0.000 0.994 479 G CA 0.478 45.562 45.100 -0.027 0.000 0.698 479 G HN 0.272 nan 8.290 nan 0.000 0.521 480 V N -0.366 119.521 119.914 -0.045 0.000 2.427 480 V HA 0.132 4.230 4.120 -0.037 0.000 0.248 480 V C 1.601 177.633 176.094 -0.103 0.000 1.051 480 V CA 2.018 64.278 62.300 -0.068 0.000 1.048 480 V CB -0.166 31.618 31.823 -0.066 0.000 0.666 480 V HN 0.445 nan 8.190 nan 0.000 0.456 481 L N 0.160 121.321 121.223 -0.105 0.000 2.334 481 L HA 0.462 4.780 4.340 -0.037 0.000 0.273 481 L C -0.094 176.714 176.870 -0.102 0.000 1.013 481 L CA -0.571 54.191 54.840 -0.130 0.000 0.816 481 L CB 1.201 43.173 42.059 -0.146 0.000 1.278 481 L HN 0.005 nan 8.230 nan 0.000 0.431 482 N N 3.065 121.689 118.700 -0.128 0.000 2.420 482 N HA 0.157 4.874 4.740 -0.037 0.000 0.262 482 N C -1.886 173.584 175.510 -0.066 0.000 1.144 482 N CA -1.802 51.190 53.050 -0.097 0.000 0.952 482 N CB 1.381 39.793 38.487 -0.124 0.000 1.081 482 N HN 0.268 nan 8.380 nan 0.000 0.480 483 P HA -0.084 nan 4.420 nan 0.000 0.220 483 P C 0.607 177.909 177.300 0.003 0.000 1.148 483 P CA 1.065 64.162 63.100 -0.005 0.000 0.803 483 P CB 0.471 32.176 31.700 0.008 0.000 0.782 484 E N -0.854 119.343 120.200 -0.004 0.000 2.358 484 E HA -0.023 4.305 4.350 -0.037 0.000 0.195 484 E C 0.891 177.499 176.600 0.012 0.000 1.010 484 E CA 1.154 57.560 56.400 0.010 0.000 0.856 484 E CB -0.314 29.392 29.700 0.009 0.000 0.795 484 E HN 0.353 nan 8.360 nan 0.000 0.504 485 T N -1.733 112.812 114.554 -0.015 0.000 3.293 485 T HA 0.284 4.612 4.350 -0.037 0.000 0.276 485 T C 0.067 174.755 174.700 -0.019 0.000 1.003 485 T CA -0.501 61.591 62.100 -0.012 0.000 0.916 485 T CB 0.314 69.162 68.868 -0.034 0.000 1.134 485 T HN -0.274 nan 8.240 nan 0.000 0.530 486 T N 1.476 116.035 114.554 0.008 0.000 3.011 486 T HA 0.504 4.831 4.350 -0.037 0.000 0.303 486 T C -0.611 174.129 174.700 0.066 0.000 0.997 486 T CA -0.484 61.623 62.100 0.012 0.000 1.007 486 T CB 1.899 70.753 68.868 -0.023 0.000 1.017 486 T HN 0.148 nan 8.240 nan 0.000 0.443 487 V N 3.775 123.755 119.914 0.111 0.000 2.481 487 V HA 0.533 4.631 4.120 -0.037 0.000 0.286 487 V C -0.073 176.083 176.094 0.104 0.000 1.042 487 V CA -0.609 61.775 62.300 0.140 0.000 0.928 487 V CB 1.737 33.708 31.823 0.246 0.000 0.986 487 V HN 0.691 nan 8.190 nan 0.000 0.462 488 V N 4.202 124.186 119.914 0.118 0.000 2.384 488 V HA 0.907 5.005 4.120 -0.037 0.000 0.287 488 V C 0.204 176.393 176.094 0.159 0.000 1.020 488 V CA -0.139 62.223 62.300 0.104 0.000 0.850 488 V CB 1.220 33.088 31.823 0.076 0.000 0.987 488 V HN 1.086 nan 8.190 nan 0.000 0.436 489 A N 5.202 128.085 122.820 0.106 0.000 2.609 489 A HA 0.895 5.193 4.320 -0.037 0.000 0.291 489 A C -1.311 176.436 177.584 0.271 0.000 1.096 489 A CA -0.602 51.550 52.037 0.191 0.000 0.684 489 A CB 1.470 20.548 19.000 0.130 0.000 1.282 489 A HN 0.676 nan 8.150 nan 0.000 0.412 490 I N 1.215 121.966 120.570 0.300 0.000 2.339 490 I HA 0.292 4.439 4.170 -0.037 0.000 0.290 490 I C -0.836 175.432 176.117 0.250 0.000 0.994 490 I CA -0.335 61.104 61.300 0.232 0.000 1.191 490 I CB 1.279 39.357 38.000 0.130 0.000 1.343 490 I HN 0.631 nan 8.210 nan 0.000 0.458 491 F N 10.301 130.186 119.950 -0.108 0.000 2.471 491 F HA 0.342 4.846 4.527 -0.038 0.000 0.365 491 F C -1.529 174.028 175.800 -0.405 0.000 1.095 491 F CA -2.314 55.371 58.000 -0.524 0.000 1.174 491 F CB 0.751 39.202 39.000 -0.915 0.000 1.105 491 F HN 0.341 nan 8.300 nan 0.000 0.535 492 P HA -0.061 nan 4.420 nan 0.000 0.245 492 P C 0.286 177.126 177.300 -0.768 0.000 1.212 492 P CA 0.319 63.050 63.100 -0.616 0.000 0.774 492 P CB 0.110 31.616 31.700 -0.323 0.000 0.999 493 S N 1.699 116.633 115.700 -1.276 0.000 2.562 493 S HA 0.258 4.706 4.470 -0.037 0.000 0.281 493 S C -2.233 172.040 174.600 -0.544 0.000 1.333 493 S CA -1.270 56.413 58.200 -0.861 0.000 1.052 493 S CB -0.269 62.608 63.200 -0.540 0.000 0.884 493 S HN -0.052 nan 8.310 nan 0.000 0.506 494 P HA 0.049 nan 4.420 nan 0.000 0.266 494 P C -0.562 176.764 177.300 0.042 0.000 1.193 494 P CA -0.096 62.886 63.100 -0.196 0.000 0.770 494 P CB 0.285 31.871 31.700 -0.190 0.000 0.836 495 M N 3.200 122.937 119.600 0.228 0.000 2.216 495 M HA 0.281 4.739 4.480 -0.037 0.000 0.356 495 M C 0.742 177.215 176.300 0.290 0.000 1.205 495 M CA 0.502 55.890 55.300 0.147 0.000 1.122 495 M CB 0.714 33.212 32.600 -0.168 0.000 1.571 495 M HN 0.260 nan 8.290 nan 0.000 0.464 496 M N 2.767 122.431 119.600 0.107 0.000 2.516 496 M HA 0.196 4.653 4.480 -0.037 0.000 0.259 496 M C -0.689 176.062 176.300 0.752 0.000 1.146 496 M CA 0.294 55.724 55.300 0.216 0.000 1.122 496 M CB 0.335 32.880 32.600 -0.093 0.000 1.341 496 M HN 0.704 nan 8.290 nan 0.000 0.478 497 Y N -0.001 120.624 120.300 0.541 0.000 3.027 497 Y HA -0.245 4.283 4.550 -0.037 0.000 0.195 497 Y C 0.683 177.041 175.900 0.764 0.000 1.381 497 Y CA 0.311 58.765 58.100 0.591 0.000 1.015 497 Y CB -2.278 36.506 38.460 0.539 0.000 1.329 497 Y HN 0.343 nan 8.280 nan 0.000 0.462 498 A N -0.326 122.746 122.820 0.419 0.000 2.589 498 A HA 0.612 4.910 4.320 -0.037 0.000 0.283 498 A C 1.688 179.067 177.584 -0.341 0.000 1.187 498 A CA 0.685 52.749 52.037 0.044 0.000 0.957 498 A CB -0.303 18.344 19.000 -0.589 0.000 1.175 498 A HN 1.746 nan 8.150 nan 0.000 0.532 499 G N 1.053 109.714 108.800 -0.231 0.000 2.574 499 G HA2 -0.307 3.631 3.960 -0.037 0.000 0.286 499 G HA3 -0.307 3.631 3.960 -0.037 0.000 0.286 499 G C -1.000 173.670 174.900 -0.383 0.000 1.212 499 G CA 0.346 45.098 45.100 -0.581 0.000 0.979 499 G HN 0.268 nan 8.290 nan 0.000 0.557 500 P HA 0.018 nan 4.420 nan 0.000 0.222 500 P C 1.790 178.984 177.300 -0.178 0.000 1.147 500 P CA 2.408 65.401 63.100 -0.179 0.000 0.790 500 P CB -0.348 31.306 31.700 -0.077 0.000 0.780 501 T N -0.092 114.308 114.554 -0.255 0.000 2.737 501 T HA -0.153 4.175 4.350 -0.037 0.000 0.265 501 T C 1.795 176.372 174.700 -0.204 0.000 1.038 501 T CA 1.373 63.336 62.100 -0.228 0.000 1.144 501 T CB -0.604 68.086 68.868 -0.297 0.000 0.866 501 T HN 0.290 nan 8.240 nan 0.000 0.434 502 E N 0.387 120.448 120.200 -0.231 0.000 2.110 502 E HA -0.109 4.219 4.350 -0.037 0.000 0.193 502 E C 2.217 178.687 176.600 -0.216 0.000 0.988 502 E CA 0.703 56.982 56.400 -0.201 0.000 0.804 502 E CB -0.165 29.445 29.700 -0.150 0.000 0.745 502 E HN 0.227 nan 8.360 nan 0.000 0.458 503 V N 0.888 120.733 119.914 -0.115 0.000 2.407 503 V HA -0.289 3.808 4.120 -0.037 0.000 0.248 503 V C 1.980 178.002 176.094 -0.121 0.000 1.055 503 V CA 2.107 64.383 62.300 -0.039 0.000 1.049 503 V CB -0.258 31.590 31.823 0.042 0.000 0.662 503 V HN 0.365 nan 8.190 nan 0.000 0.455 504 Q N -0.897 118.839 119.800 -0.107 0.000 2.135 504 Q HA -0.269 4.049 4.340 -0.037 0.000 0.204 504 Q C 2.075 178.030 176.000 -0.075 0.000 0.981 504 Q CA 2.309 58.047 55.803 -0.107 0.000 0.856 504 Q CB -0.395 28.309 28.738 -0.056 0.000 0.902 504 Q HN 0.914 nan 8.270 nan 0.000 0.425 505 W N 1.371 122.534 121.300 -0.229 0.000 2.355 505 W HA -0.243 4.394 4.660 -0.038 0.000 0.309 505 W C 1.359 177.763 176.519 -0.191 0.000 1.206 505 W CA 1.764 59.001 57.345 -0.181 0.000 1.284 505 W CB -0.362 28.986 29.460 -0.187 0.000 1.145 505 W HN 0.326 nan 8.180 nan 0.000 0.502 506 H N -0.399 118.487 119.070 -0.307 0.000 2.321 506 H HA -0.294 4.240 4.556 -0.037 0.000 0.295 506 H C 2.662 177.637 175.328 -0.588 0.000 1.102 506 H CA 2.257 57.990 56.048 -0.524 0.000 1.266 506 H CB -0.608 29.018 29.762 -0.227 0.000 1.363 506 H HN 0.168 nan 8.280 nan 0.000 0.492 507 C N 1.580 120.549 119.300 -0.551 0.000 2.518 507 C HA -0.086 4.352 4.460 -0.037 0.000 0.279 507 C C 2.977 177.667 174.990 -0.500 0.000 1.279 507 C CA 1.068 59.526 59.018 -0.933 0.000 1.703 507 C CB -0.613 26.499 27.740 -1.046 0.000 2.072 507 C HN 0.647 nan 8.230 nan 0.000 0.487 508 R N 2.432 122.720 120.500 -0.353 0.000 2.103 508 R HA -0.036 4.281 4.340 -0.037 0.000 0.242 508 R C 2.034 178.211 176.300 -0.205 0.000 1.142 508 R CA 2.490 58.444 56.100 -0.242 0.000 0.960 508 R CB -1.305 28.962 30.300 -0.055 0.000 0.858 508 R HN 0.460 nan 8.270 nan 0.000 0.439 509 A N 0.779 123.411 122.820 -0.313 0.000 1.908 509 A HA -0.099 4.199 4.320 -0.037 0.000 0.218 509 A C 2.181 179.807 177.584 0.070 0.000 1.181 509 A CA 1.721 53.675 52.037 -0.139 0.000 0.627 509 A CB -0.374 18.315 19.000 -0.519 0.000 0.818 509 A HN 0.320 nan 8.150 nan 0.000 0.445 510 R N -1.155 119.292 120.500 -0.088 0.000 2.148 510 R HA 0.098 4.416 4.340 -0.037 0.000 0.223 510 R C 2.131 178.474 176.300 0.071 0.000 1.088 510 R CA 1.240 57.399 56.100 0.099 0.000 0.985 510 R CB -0.653 29.721 30.300 0.124 0.000 0.880 510 R HN 0.716 nan 8.270 nan 0.000 0.451 511 M N -0.172 119.390 119.600 -0.062 0.000 2.117 511 M HA -0.157 4.301 4.480 -0.037 0.000 0.262 511 M C 1.407 177.652 176.300 -0.091 0.000 1.065 511 M CA 1.596 56.818 55.300 -0.130 0.000 1.114 511 M CB 0.079 32.508 32.600 -0.284 0.000 1.361 511 M HN 0.008 nan 8.290 nan 0.000 0.408 512 V N 0.652 120.535 119.914 -0.051 0.000 2.626 512 V HA -0.178 3.920 4.120 -0.037 0.000 0.252 512 V C 2.316 178.411 176.094 0.002 0.000 1.067 512 V CA 1.716 64.012 62.300 -0.007 0.000 1.081 512 V CB -0.969 30.883 31.823 0.048 0.000 0.686 512 V HN 0.636 nan 8.190 nan 0.000 0.468 513 A N -0.966 121.892 122.820 0.064 0.000 2.251 513 A HA 0.460 4.758 4.320 -0.037 0.000 0.209 513 A C 1.760 179.480 177.584 0.227 0.000 1.187 513 A CA 0.946 53.041 52.037 0.097 0.000 0.823 513 A CB -0.112 19.042 19.000 0.257 0.000 0.846 513 A HN 1.071 nan 8.150 nan 0.000 0.486 514 G N -2.233 106.665 108.800 0.163 0.000 2.175 514 G HA2 0.189 4.127 3.960 -0.037 0.000 0.182 514 G HA3 0.189 4.127 3.960 -0.037 0.000 0.182 514 G C 0.334 175.283 174.900 0.081 0.000 1.003 514 G CA -0.000 45.205 45.100 0.175 0.000 0.666 514 G HN 1.424 nan 8.290 nan 0.000 0.506 515 A N -0.136 122.714 122.820 0.051 0.000 2.425 515 A HA 0.665 4.963 4.320 -0.037 0.000 0.249 515 A C 0.884 178.413 177.584 -0.091 0.000 1.084 515 A CA 0.820 52.839 52.037 -0.030 0.000 0.781 515 A CB 0.201 19.233 19.000 0.053 0.000 1.019 515 A HN 0.476 nan 8.150 nan 0.000 0.490 516 N N -0.401 118.213 118.700 -0.144 0.000 2.250 516 N HA 0.300 5.017 4.740 -0.037 0.000 0.190 516 N C -1.180 173.898 175.510 -0.721 0.000 1.116 516 N CA 0.313 53.138 53.050 -0.375 0.000 0.881 516 N CB 0.490 38.750 38.487 -0.379 0.000 1.006 516 N HN 0.551 nan 8.380 nan 0.000 0.491 517 F N -0.331 119.584 119.950 -0.058 0.000 2.581 517 F HA 0.337 4.842 4.527 -0.037 0.000 0.311 517 F C -1.269 174.568 175.800 0.063 0.000 1.113 517 F CA -1.171 56.822 58.000 -0.011 0.000 0.935 517 F CB 1.371 40.338 39.000 -0.055 0.000 1.232 517 F HN -0.176 nan 8.300 nan 0.000 0.445 518 Y N 4.107 124.486 120.300 0.131 0.000 2.363 518 Y HA 0.663 5.191 4.550 -0.037 0.000 0.325 518 Y C -0.898 175.085 175.900 0.139 0.000 0.984 518 Y CA -0.978 57.168 58.100 0.077 0.000 1.248 518 Y CB 0.832 39.288 38.460 -0.007 0.000 1.116 518 Y HN 0.524 nan 8.280 nan 0.000 0.470 519 I N 6.800 127.260 120.570 -0.184 0.000 2.416 519 I HA 0.313 4.460 4.170 -0.037 0.000 0.288 519 I C -0.697 175.362 176.117 -0.096 0.000 1.051 519 I CA -0.455 60.881 61.300 0.060 0.000 1.375 519 I CB 1.028 39.144 38.000 0.193 0.000 1.407 519 I HN 0.402 nan 8.210 nan 0.000 0.516 520 V N 6.784 126.810 119.914 0.187 0.000 2.569 520 V HA 0.730 4.828 4.120 -0.037 0.000 0.301 520 V C 0.210 176.469 176.094 0.275 0.000 1.044 520 V CA -0.096 62.306 62.300 0.170 0.000 0.874 520 V CB 1.507 33.471 31.823 0.236 0.000 1.002 520 V HN 0.845 nan 8.190 nan 0.000 0.424 521 G N 6.034 114.972 108.800 0.230 0.000 3.075 521 G HA2 0.477 4.415 3.960 -0.037 0.000 0.156 521 G HA3 0.477 4.415 3.960 -0.037 0.000 0.156 521 G C -0.197 174.827 174.900 0.207 0.000 1.403 521 G CA -0.664 44.597 45.100 0.269 0.000 1.033 521 G HN 0.899 nan 8.290 nan 0.000 0.589 522 R N -0.777 119.847 120.500 0.206 0.000 2.410 522 R HA 0.491 4.809 4.340 -0.037 0.000 0.288 522 R C -0.364 176.035 176.300 0.164 0.000 1.051 522 R CA 0.238 56.442 56.100 0.174 0.000 1.021 522 R CB 0.585 30.984 30.300 0.165 0.000 1.032 522 R HN 0.490 nan 8.270 nan 0.000 0.481 523 D N 0.376 120.867 120.400 0.151 0.000 2.689 523 D HA -0.101 4.517 4.640 -0.037 0.000 0.237 523 D C -1.932 174.470 176.300 0.170 0.000 1.148 523 D CA 0.489 54.588 54.000 0.165 0.000 0.656 523 D CB -0.238 40.660 40.800 0.163 0.000 1.050 523 D HN 0.660 nan 8.370 nan 0.000 0.426 524 P HA 0.263 nan 4.420 nan 0.000 0.271 524 P C 0.694 178.081 177.300 0.145 0.000 1.216 524 P CA 0.843 64.016 63.100 0.121 0.000 0.776 524 P CB 1.299 33.066 31.700 0.112 0.000 0.881 525 A N 1.284 124.196 122.820 0.154 0.000 2.945 525 A HA -0.131 4.166 4.320 -0.037 0.000 0.263 525 A C 0.892 178.664 177.584 0.312 0.000 1.293 525 A CA 1.358 53.520 52.037 0.209 0.000 0.944 525 A CB -2.350 16.771 19.000 0.202 0.000 1.093 525 A HN 0.832 nan 8.150 nan 0.000 0.786 526 G N -1.879 107.122 108.800 0.335 0.000 2.613 526 G HA2 0.908 4.846 3.960 -0.037 0.000 0.303 526 G HA3 0.908 4.846 3.960 -0.037 0.000 0.303 526 G C -0.286 174.866 174.900 0.421 0.000 1.312 526 G CA -0.261 45.127 45.100 0.479 0.000 1.036 526 G HN 1.784 nan 8.290 nan 0.000 0.513 527 M N -2.613 117.196 119.600 0.349 0.000 2.833 527 M HA 0.496 4.954 4.480 -0.037 0.000 0.270 527 M C -3.238 173.127 176.300 0.108 0.000 1.209 527 M CA -1.609 53.806 55.300 0.193 0.000 0.826 527 M CB 1.599 34.271 32.600 0.120 0.000 1.657 527 M HN 0.159 nan 8.290 nan 0.000 0.492 528 P HA 0.078 nan 4.420 nan 0.000 0.268 528 P C -1.178 176.153 177.300 0.053 0.000 1.205 528 P CA 0.169 63.301 63.100 0.053 0.000 0.771 528 P CB 0.224 31.947 31.700 0.037 0.000 0.858 529 H N 5.488 124.545 119.070 -0.021 0.000 2.886 529 H HA 0.042 4.575 4.556 -0.038 0.000 0.329 529 H C -1.551 173.770 175.328 -0.013 0.000 1.044 529 H CA -1.416 54.621 56.048 -0.019 0.000 1.456 529 H CB 0.615 30.357 29.762 -0.034 0.000 1.464 529 H HN 0.269 nan 8.280 nan 0.000 0.573 530 P HA -0.091 nan 4.420 nan 0.000 0.221 530 P C 0.819 178.237 177.300 0.197 0.000 1.150 530 P CA 0.910 64.069 63.100 0.099 0.000 0.800 530 P CB 0.629 32.334 31.700 0.009 0.000 0.787 531 E N -1.250 119.203 120.200 0.423 0.000 2.166 531 E HA -0.023 4.304 4.350 -0.037 0.000 0.192 531 E C 1.894 178.495 176.600 0.002 0.000 0.967 531 E CA 1.576 58.066 56.400 0.149 0.000 0.840 531 E CB -1.215 28.554 29.700 0.116 0.000 0.795 531 E HN 0.339 nan 8.360 nan 0.000 0.470 532 T N -3.746 110.750 114.554 -0.095 0.000 3.014 532 T HA 0.305 4.633 4.350 -0.037 0.000 0.250 532 T C 1.640 176.311 174.700 -0.048 0.000 1.060 532 T CA 0.741 62.753 62.100 -0.147 0.000 1.040 532 T CB 0.445 69.136 68.868 -0.295 0.000 0.971 532 T HN 0.214 nan 8.240 nan 0.000 0.497 533 G N 1.725 110.537 108.800 0.020 0.000 2.189 533 G HA2 -0.297 3.641 3.960 -0.037 0.000 0.267 533 G HA3 -0.297 3.641 3.960 -0.037 0.000 0.267 533 G C 0.122 175.034 174.900 0.019 0.000 0.975 533 G CA 0.665 45.780 45.100 0.025 0.000 0.644 533 G HN 0.693 nan 8.290 nan 0.000 0.537 534 K N 0.560 120.965 120.400 0.009 0.000 2.117 534 K HA 0.410 4.708 4.320 -0.037 0.000 0.240 534 K C 0.014 176.637 176.600 0.038 0.000 1.031 534 K CA -0.749 55.543 56.287 0.007 0.000 0.909 534 K CB 0.422 32.913 32.500 -0.015 0.000 1.097 534 K HN 0.073 nan 8.250 nan 0.000 0.492 535 D N 1.477 121.890 120.400 0.022 0.000 2.488 535 D HA -0.074 4.543 4.640 -0.037 0.000 0.238 535 D C 1.145 177.447 176.300 0.003 0.000 1.138 535 D CA 0.383 54.401 54.000 0.031 0.000 0.873 535 D CB 0.695 41.515 40.800 0.032 0.000 1.183 535 D HN 0.384 nan 8.370 nan 0.000 0.458 536 L N 1.873 123.058 121.223 -0.063 0.000 2.083 536 L HA -0.146 4.172 4.340 -0.037 0.000 0.209 536 L C 0.246 176.873 176.870 -0.404 0.000 1.083 536 L CA 1.341 56.004 54.840 -0.295 0.000 0.752 536 L CB 0.023 41.679 42.059 -0.671 0.000 0.899 536 L HN 0.435 nan 8.230 nan 0.000 0.433 537 Y N -1.342 119.013 120.300 0.091 0.000 2.462 537 Y HA 0.271 4.799 4.550 -0.038 0.000 0.346 537 Y C 0.235 176.111 175.900 -0.040 0.000 0.976 537 Y CA -1.287 56.840 58.100 0.044 0.000 1.044 537 Y CB 1.198 39.713 38.460 0.092 0.000 1.230 537 Y HN -0.182 nan 8.280 nan 0.000 0.455 538 E N 4.556 124.726 120.200 -0.051 0.000 2.384 538 E HA 0.036 4.364 4.350 -0.037 0.000 0.266 538 E C -1.802 174.735 176.600 -0.103 0.000 1.012 538 E CA -1.369 54.895 56.400 -0.228 0.000 0.901 538 E CB 1.190 30.416 29.700 -0.789 0.000 0.967 538 E HN 0.375 nan 8.360 nan 0.000 0.435 539 P HA -0.055 nan 4.420 nan 0.000 0.236 539 P C 0.874 178.232 177.300 0.096 0.000 1.177 539 P CA 0.679 63.817 63.100 0.064 0.000 0.773 539 P CB 0.308 32.042 31.700 0.058 0.000 0.878 540 S N -2.366 113.395 115.700 0.102 0.000 2.535 540 S HA 0.023 4.471 4.470 -0.037 0.000 0.214 540 S C 1.696 176.441 174.600 0.242 0.000 0.980 540 S CA -0.170 58.124 58.200 0.156 0.000 0.907 540 S CB -1.384 61.908 63.200 0.153 0.000 0.790 540 S HN 0.252 nan 8.310 nan 0.000 0.510 541 H N 1.116 120.233 119.070 0.078 0.000 2.423 541 H HA 0.029 4.562 4.556 -0.037 0.000 0.297 541 H C 2.464 177.814 175.328 0.037 0.000 1.075 541 H CA 0.586 56.669 56.048 0.058 0.000 1.342 541 H CB -0.258 29.546 29.762 0.070 0.000 1.395 541 H HN 0.582 nan 8.280 nan 0.000 0.530 542 G N 0.915 109.818 108.800 0.171 0.000 2.459 542 G HA2 -0.313 3.625 3.960 -0.037 0.000 0.217 542 G HA3 -0.313 3.625 3.960 -0.037 0.000 0.217 542 G C 1.936 176.887 174.900 0.086 0.000 1.183 542 G CA 0.948 46.105 45.100 0.095 0.000 0.776 542 G HN 0.459 nan 8.290 nan 0.000 0.552 543 A N 0.713 123.596 122.820 0.105 0.000 1.877 543 A HA -0.010 4.288 4.320 -0.037 0.000 0.216 543 A C 2.315 179.934 177.584 0.058 0.000 1.186 543 A CA 2.093 54.183 52.037 0.090 0.000 0.620 543 A CB -0.434 18.624 19.000 0.097 0.000 0.822 543 A HN 0.378 nan 8.150 nan 0.000 0.443 544 K N -0.519 119.917 120.400 0.060 0.000 2.032 544 K HA -0.107 4.191 4.320 -0.037 0.000 0.209 544 K C 1.860 178.457 176.600 -0.006 0.000 1.048 544 K CA 1.551 57.851 56.287 0.022 0.000 0.927 544 K CB -0.399 32.108 32.500 0.013 0.000 0.712 544 K HN 0.296 nan 8.250 nan 0.000 0.441 545 V N 1.639 121.549 119.914 -0.007 0.000 2.343 545 V HA -0.227 3.871 4.120 -0.037 0.000 0.247 545 V C 2.191 178.272 176.094 -0.022 0.000 1.051 545 V CA 1.478 63.762 62.300 -0.027 0.000 1.036 545 V CB -0.327 31.477 31.823 -0.031 0.000 0.654 545 V HN 0.320 nan 8.190 nan 0.000 0.451 546 L N 0.541 121.758 121.223 -0.010 0.000 2.056 546 L HA -0.157 4.161 4.340 -0.037 0.000 0.207 546 L C 2.736 179.592 176.870 -0.023 0.000 1.078 546 L CA 2.137 56.962 54.840 -0.025 0.000 0.749 546 L CB -0.644 41.411 42.059 -0.007 0.000 0.901 546 L HN 0.611 nan 8.230 nan 0.000 0.433 547 T N -2.852 111.698 114.554 -0.006 0.000 3.051 547 T HA -0.167 4.161 4.350 -0.037 0.000 0.269 547 T C 1.309 175.999 174.700 -0.017 0.000 1.127 547 T CA 1.073 63.168 62.100 -0.008 0.000 1.107 547 T CB -0.156 68.711 68.868 -0.001 0.000 0.898 547 T HN 0.510 nan 8.240 nan 0.000 0.517 548 M N -0.622 118.966 119.600 -0.020 0.000 2.347 548 M HA 0.681 5.138 4.480 -0.037 0.000 0.324 548 M C 0.586 176.874 176.300 -0.019 0.000 1.028 548 M CA -0.777 54.511 55.300 -0.020 0.000 0.988 548 M CB 0.411 32.999 32.600 -0.020 0.000 1.528 548 M HN 0.084 nan 8.290 nan 0.000 0.550 549 A N 3.267 126.073 122.820 -0.023 0.000 2.477 549 A HA 0.566 4.863 4.320 -0.037 0.000 0.246 549 A C -2.292 175.287 177.584 -0.009 0.000 1.078 549 A CA -0.919 51.108 52.037 -0.017 0.000 0.770 549 A CB -0.568 18.416 19.000 -0.027 0.000 1.011 549 A HN 0.245 nan 8.150 nan 0.000 0.494 550 P HA 0.370 nan 4.420 nan 0.000 0.272 550 P C 1.004 178.329 177.300 0.042 0.000 1.230 550 P CA 1.128 64.238 63.100 0.016 0.000 0.788 550 P CB 0.645 32.355 31.700 0.016 0.000 0.949 551 G N 0.401 109.242 108.800 0.068 0.000 2.179 551 G HA2 -0.236 3.702 3.960 -0.037 0.000 0.260 551 G HA3 -0.236 3.702 3.960 -0.037 0.000 0.260 551 G C 0.156 175.126 174.900 0.117 0.000 0.977 551 G CA 0.018 45.211 45.100 0.156 0.000 0.641 551 G HN 0.492 nan 8.290 nan 0.000 0.533 552 L N 2.066 123.291 121.223 0.004 0.000 3.048 552 L HA 0.391 4.709 4.340 -0.037 0.000 0.234 552 L C 2.224 179.042 176.870 -0.087 0.000 1.318 552 L CA -0.277 54.509 54.840 -0.091 0.000 1.109 552 L CB -0.229 41.764 42.059 -0.109 0.000 1.480 552 L HN 0.476 nan 8.230 nan 0.000 0.495 553 I N -2.320 118.221 120.570 -0.049 0.000 2.584 553 I HA -0.066 4.081 4.170 -0.037 0.000 0.255 553 I C 1.708 177.784 176.117 -0.068 0.000 1.145 553 I CA 1.374 62.654 61.300 -0.032 0.000 1.462 553 I CB -0.361 37.655 38.000 0.026 0.000 1.102 553 I HN 0.365 nan 8.210 nan 0.000 0.433 554 T N 0.995 115.488 114.554 -0.100 0.000 3.278 554 T HA 0.479 4.807 4.350 -0.037 0.000 0.251 554 T C 0.148 174.744 174.700 -0.173 0.000 1.039 554 T CA -0.447 61.585 62.100 -0.113 0.000 0.935 554 T CB -0.714 68.098 68.868 -0.093 0.000 1.034 554 T HN 0.410 nan 8.240 nan 0.000 0.575 555 L N -2.719 118.391 121.223 -0.189 0.000 2.415 555 L HA 0.795 5.113 4.340 -0.037 0.000 0.256 555 L C -0.945 175.789 176.870 -0.227 0.000 1.010 555 L CA -1.697 52.993 54.840 -0.250 0.000 0.826 555 L CB 1.635 43.570 42.059 -0.207 0.000 1.405 555 L HN 0.100 nan 8.230 nan 0.000 0.410 556 E N 1.670 121.684 120.200 -0.310 0.000 2.166 556 E HA 0.513 4.840 4.350 -0.037 0.000 0.275 556 E C -0.980 175.627 176.600 0.011 0.000 0.941 556 E CA -0.901 55.410 56.400 -0.148 0.000 0.784 556 E CB 1.283 30.894 29.700 -0.148 0.000 1.115 556 E HN 0.624 nan 8.360 nan 0.000 0.399 557 I N 4.632 125.230 120.570 0.047 0.000 2.471 557 I HA 0.079 4.227 4.170 -0.037 0.000 0.286 557 I C -0.170 176.021 176.117 0.122 0.000 1.079 557 I CA -0.368 61.000 61.300 0.114 0.000 1.398 557 I CB 0.773 38.817 38.000 0.074 0.000 1.403 557 I HN 0.332 nan 8.210 nan 0.000 0.530 558 V N 9.337 129.356 119.914 0.175 0.000 2.266 558 V HA 0.311 4.409 4.120 -0.037 0.000 0.271 558 V C -2.202 173.919 176.094 0.046 0.000 1.032 558 V CA -1.276 61.079 62.300 0.093 0.000 0.806 558 V CB 1.320 33.270 31.823 0.212 0.000 1.052 558 V HN 0.620 nan 8.190 nan 0.000 0.449 559 P HA 0.641 nan 4.420 nan 0.000 0.293 559 P C -1.258 175.836 177.300 -0.345 0.000 1.291 559 P CA -0.609 62.459 63.100 -0.053 0.000 0.867 559 P CB 1.707 33.389 31.700 -0.031 0.000 1.074 560 F N 0.320 120.298 119.950 0.047 0.000 2.588 560 F HA 0.474 4.980 4.527 -0.036 0.000 0.310 560 F C 1.205 177.030 175.800 0.042 0.000 1.082 560 F CA -0.863 57.143 58.000 0.010 0.000 0.929 560 F CB 2.084 41.150 39.000 0.110 0.000 1.254 560 F HN 0.061 nan 8.300 nan 0.000 0.455 561 R N 0.343 120.931 120.500 0.146 0.000 2.738 561 R HA 0.409 4.727 4.340 -0.037 0.000 0.275 561 R C -0.717 175.795 176.300 0.352 0.000 1.121 561 R CA -0.789 55.425 56.100 0.191 0.000 1.207 561 R CB 0.655 31.024 30.300 0.115 0.000 1.141 561 R HN 0.462 nan 8.270 nan 0.000 0.571 562 V N 1.122 121.215 119.914 0.299 0.000 2.585 562 V HA 0.339 4.437 4.120 -0.037 0.000 0.296 562 V C -0.253 176.034 176.094 0.322 0.000 1.035 562 V CA 0.071 62.548 62.300 0.294 0.000 1.084 562 V CB 0.623 32.585 31.823 0.231 0.000 0.953 562 V HN 0.799 nan 8.190 nan 0.000 0.483 563 A N 5.799 128.765 122.820 0.244 0.000 2.325 563 A HA 1.012 5.310 4.320 -0.037 0.000 0.333 563 A C -0.097 177.515 177.584 0.047 0.000 1.155 563 A CA 0.017 52.105 52.037 0.085 0.000 0.814 563 A CB 1.650 20.614 19.000 -0.060 0.000 1.206 563 A HN 2.094 nan 8.150 nan 0.000 0.482 564 A N 0.107 122.918 122.820 -0.014 0.000 2.599 564 A HA 0.569 4.866 4.320 -0.037 0.000 0.290 564 A C -1.510 176.139 177.584 0.108 0.000 1.101 564 A CA -0.556 51.427 52.037 -0.090 0.000 0.674 564 A CB 0.280 18.892 19.000 -0.646 0.000 1.277 564 A HN 1.404 nan 8.150 nan 0.000 0.419 565 Y N 2.359 122.637 120.300 -0.037 0.000 2.496 565 Y HA 0.286 4.816 4.550 -0.034 0.000 0.334 565 Y C 0.564 176.435 175.900 -0.048 0.000 1.080 565 Y CA 0.275 58.369 58.100 -0.010 0.000 1.355 565 Y CB 0.391 38.833 38.460 -0.031 0.000 1.193 565 Y HN 0.678 nan 8.280 nan 0.000 0.523 566 N N 5.622 123.997 118.700 -0.541 0.000 2.455 566 N HA 0.106 4.824 4.740 -0.037 0.000 0.280 566 N C 0.216 175.210 175.510 -0.860 0.000 1.055 566 N CA -0.021 52.597 53.050 -0.720 0.000 0.961 566 N CB 1.408 39.522 38.487 -0.620 0.000 1.121 566 N HN 0.814 nan 8.380 nan 0.000 0.476 567 K N 2.747 122.819 120.400 -0.546 0.000 2.099 567 K HA 0.075 4.372 4.320 -0.037 0.000 0.203 567 K C 1.514 177.954 176.600 -0.267 0.000 1.047 567 K CA 0.673 56.784 56.287 -0.295 0.000 0.963 567 K CB 0.180 32.625 32.500 -0.093 0.000 0.759 567 K HN 0.481 nan 8.250 nan 0.000 0.451 568 K N 1.100 121.332 120.400 -0.281 0.000 1.990 568 K HA -0.241 4.056 4.320 -0.037 0.000 0.225 568 K C 1.760 178.222 176.600 -0.231 0.000 1.053 568 K CA 2.149 58.297 56.287 -0.231 0.000 0.982 568 K CB -0.124 32.226 32.500 -0.251 0.000 0.734 568 K HN -0.016 nan 8.250 nan 0.000 0.448 569 K N 0.592 120.821 120.400 -0.286 0.000 2.504 569 K HA -0.014 4.284 4.320 -0.037 0.000 0.195 569 K C 0.214 176.673 176.600 -0.234 0.000 1.036 569 K CA 0.370 56.520 56.287 -0.229 0.000 0.984 569 K CB 0.129 32.497 32.500 -0.219 0.000 0.788 569 K HN 0.154 nan 8.250 nan 0.000 0.488 570 K N 0.467 120.666 120.400 -0.335 0.000 3.129 570 K HA -0.230 4.068 4.320 -0.037 0.000 0.273 570 K C -0.989 175.462 176.600 -0.249 0.000 1.123 570 K CA 0.800 56.922 56.287 -0.274 0.000 0.800 570 K CB -0.865 31.599 32.500 -0.060 0.000 1.238 570 K HN 0.413 nan 8.250 nan 0.000 0.492 571 R N -1.816 118.408 120.500 -0.461 0.000 2.747 571 R HA 0.466 4.784 4.340 -0.037 0.000 0.272 571 R C -0.610 175.536 176.300 -0.256 0.000 1.032 571 R CA -1.347 54.633 56.100 -0.200 0.000 0.896 571 R CB 0.344 30.579 30.300 -0.108 0.000 1.253 571 R HN -0.159 nan 8.270 nan 0.000 0.461 572 M N 1.220 120.793 119.600 -0.044 0.000 2.238 572 M HA 0.317 4.775 4.480 -0.037 0.000 0.347 572 M C -0.525 175.695 176.300 -0.133 0.000 1.173 572 M CA 0.446 55.725 55.300 -0.035 0.000 1.147 572 M CB 0.052 32.645 32.600 -0.012 0.000 1.547 572 M HN 0.731 nan 8.290 nan 0.000 0.455 573 D N 0.500 120.833 120.400 -0.112 0.000 2.692 573 D HA 0.378 4.996 4.640 -0.037 0.000 0.303 573 D C -1.764 174.446 176.300 -0.150 0.000 1.278 573 D CA -0.398 53.499 54.000 -0.171 0.000 0.852 573 D CB 0.922 41.723 40.800 0.002 0.000 1.375 573 D HN 0.403 nan 8.370 nan 0.000 0.453 574 Y N 0.709 121.097 120.300 0.146 0.000 2.319 574 Y HA 0.258 4.786 4.550 -0.037 0.000 0.328 574 Y C 0.090 175.970 175.900 -0.033 0.000 1.133 574 Y CA -0.530 57.627 58.100 0.093 0.000 1.265 574 Y CB 0.712 39.236 38.460 0.108 0.000 1.218 574 Y HN 0.255 nan 8.280 nan 0.000 0.508 575 Y N 3.141 123.298 120.300 -0.237 0.000 2.497 575 Y HA 0.115 4.643 4.550 -0.037 0.000 0.334 575 Y C -0.303 175.359 175.900 -0.397 0.000 1.199 575 Y CA -0.009 57.578 58.100 -0.855 0.000 1.425 575 Y CB 0.473 38.559 38.460 -0.622 0.000 1.291 575 Y HN 0.587 nan 8.280 nan 0.000 0.562 576 D N 2.841 122.573 120.400 -1.113 0.000 2.619 576 D HA 0.237 4.854 4.640 -0.037 0.000 0.241 576 D C 0.274 176.064 176.300 -0.849 0.000 1.087 576 D CA -0.352 53.304 54.000 -0.572 0.000 0.851 576 D CB 2.519 43.290 40.800 -0.048 0.000 1.474 576 D HN 0.700 nan 8.370 nan 0.000 0.478 577 S N 1.565 117.008 115.700 -0.428 0.000 2.354 577 S HA -0.183 4.265 4.470 -0.037 0.000 0.219 577 S C 0.103 174.591 174.600 -0.187 0.000 1.035 577 S CA 1.262 59.340 58.200 -0.204 0.000 1.037 577 S CB -0.205 62.964 63.200 -0.051 0.000 0.956 577 S HN 0.516 nan 8.310 nan 0.000 0.428 578 E N 0.919 120.937 120.200 -0.303 0.000 1.858 578 E HA 0.227 4.555 4.350 -0.037 0.000 0.278 578 E C -0.364 175.558 176.600 -1.130 0.000 1.172 578 E CA 0.290 56.386 56.400 -0.507 0.000 1.127 578 E CB -0.305 29.094 29.700 -0.503 0.000 1.084 578 E HN 0.605 nan 8.360 nan 0.000 0.455 579 H N -1.668 117.442 119.070 0.067 0.000 3.951 579 H HA 0.002 4.535 4.556 -0.038 0.000 0.280 579 H C 0.568 176.056 175.328 0.267 0.000 1.039 579 H CA -0.248 55.882 56.048 0.135 0.000 1.125 579 H CB -0.664 29.174 29.762 0.127 0.000 3.611 579 H HN 0.534 nan 8.280 nan 0.000 0.772 580 H N 1.963 121.160 119.070 0.211 0.000 2.450 580 H HA -0.247 4.287 4.556 -0.038 0.000 0.291 580 H C 1.530 177.117 175.328 0.430 0.000 1.128 580 H CA 2.579 58.864 56.048 0.396 0.000 1.203 580 H CB 0.556 30.504 29.762 0.310 0.000 1.356 580 H HN 0.588 nan 8.280 nan 0.000 0.503 581 E N -0.559 119.890 120.200 0.415 0.000 2.276 581 E HA -0.045 4.282 4.350 -0.037 0.000 0.193 581 E C 1.547 178.229 176.600 0.137 0.000 0.983 581 E CA 0.761 57.328 56.400 0.279 0.000 0.861 581 E CB 0.124 29.937 29.700 0.187 0.000 0.817 581 E HN 0.525 nan 8.360 nan 0.000 0.485 582 D N 0.356 120.779 120.400 0.037 0.000 2.265 582 D HA -0.116 4.501 4.640 -0.037 0.000 0.208 582 D C -0.301 175.757 176.300 -0.403 0.000 0.977 582 D CA 0.932 54.764 54.000 -0.279 0.000 0.871 582 D CB -0.036 40.434 40.800 -0.549 0.000 0.925 582 D HN 0.170 nan 8.370 nan 0.000 0.485 583 F N 0.789 120.760 119.950 0.036 0.000 2.427 583 F HA 0.258 4.762 4.527 -0.038 0.000 0.346 583 F C 0.678 176.453 175.800 -0.040 0.000 1.120 583 F CA -0.890 57.086 58.000 -0.039 0.000 1.033 583 F CB 1.457 40.474 39.000 0.028 0.000 1.126 583 F HN -0.346 nan 8.300 nan 0.000 0.462 584 E N 3.645 123.894 120.200 0.081 0.000 2.151 584 E HA 0.386 4.714 4.350 -0.037 0.000 0.275 584 E C -1.469 175.062 176.600 -0.116 0.000 0.936 584 E CA -0.634 55.805 56.400 0.065 0.000 0.777 584 E CB 0.848 30.592 29.700 0.074 0.000 1.108 584 E HN 0.391 nan 8.360 nan 0.000 0.401 585 F N 4.714 124.696 119.950 0.054 0.000 2.411 585 F HA 0.341 4.845 4.527 -0.039 0.000 0.355 585 F C 0.229 175.983 175.800 -0.078 0.000 1.117 585 F CA -0.488 57.513 58.000 0.001 0.000 1.139 585 F CB 0.768 39.757 39.000 -0.019 0.000 1.120 585 F HN 0.366 nan 8.300 nan 0.000 0.493 586 I N 3.823 124.385 120.570 -0.015 0.000 2.388 586 I HA 0.167 4.315 4.170 -0.037 0.000 0.281 586 I C 0.266 176.343 176.117 -0.066 0.000 1.046 586 I CA -0.456 60.721 61.300 -0.206 0.000 1.187 586 I CB 0.494 38.050 38.000 -0.740 0.000 1.351 586 I HN 0.611 nan 8.210 nan 0.000 0.472 587 S N 3.525 119.230 115.700 0.008 0.000 2.606 587 S HA 0.180 4.627 4.470 -0.037 0.000 0.257 587 S C 1.534 176.193 174.600 0.099 0.000 1.327 587 S CA -0.027 58.215 58.200 0.070 0.000 0.984 587 S CB 1.207 64.438 63.200 0.052 0.000 0.941 587 S HN 0.714 nan 8.310 nan 0.000 0.576 588 G N 0.034 108.925 108.800 0.151 0.000 2.448 588 G HA2 -0.078 3.860 3.960 -0.037 0.000 0.219 588 G HA3 -0.078 3.860 3.960 -0.037 0.000 0.219 588 G C 1.129 176.104 174.900 0.127 0.000 1.127 588 G CA 1.009 46.230 45.100 0.203 0.000 0.766 588 G HN 0.787 nan 8.290 nan 0.000 0.552 589 T N 0.006 114.596 114.554 0.060 0.000 2.985 589 T HA 0.019 4.346 4.350 -0.037 0.000 0.266 589 T C 2.288 176.961 174.700 -0.045 0.000 1.076 589 T CA 0.913 63.013 62.100 -0.000 0.000 1.135 589 T CB 0.098 68.966 68.868 0.001 0.000 0.890 589 T HN 0.292 nan 8.240 nan 0.000 0.480 590 R N 1.157 121.638 120.500 -0.033 0.000 2.090 590 R HA 0.179 4.497 4.340 -0.037 0.000 0.228 590 R C 2.321 178.576 176.300 -0.076 0.000 1.110 590 R CA 1.139 57.196 56.100 -0.072 0.000 0.973 590 R CB -0.464 29.777 30.300 -0.098 0.000 0.869 590 R HN 0.336 nan 8.270 nan 0.000 0.440 591 M N -0.414 119.185 119.600 -0.001 0.000 2.117 591 M HA -0.136 4.321 4.480 -0.037 0.000 0.262 591 M C 2.428 178.633 176.300 -0.160 0.000 1.065 591 M CA 1.747 57.145 55.300 0.162 0.000 1.114 591 M CB -0.327 32.570 32.600 0.496 0.000 1.361 591 M HN 0.129 nan 8.290 nan 0.000 0.408 592 R N 0.716 120.891 120.500 -0.541 0.000 2.105 592 R HA -0.143 4.175 4.340 -0.037 0.000 0.239 592 R C 2.141 178.153 176.300 -0.479 0.000 1.135 592 R CA 1.388 56.873 56.100 -1.025 0.000 0.967 592 R CB 0.001 29.921 30.300 -0.634 0.000 0.861 592 R HN 0.289 nan 8.270 nan 0.000 0.442 593 K N 0.353 120.603 120.400 -0.251 0.000 2.001 593 K HA -0.119 4.179 4.320 -0.037 0.000 0.208 593 K C 2.203 178.750 176.600 -0.089 0.000 1.048 593 K CA 1.387 57.588 56.287 -0.142 0.000 0.932 593 K CB -0.219 32.220 32.500 -0.102 0.000 0.715 593 K HN 0.171 nan 8.250 nan 0.000 0.437 594 L N 0.642 121.838 121.223 -0.045 0.000 2.012 594 L HA -0.232 4.085 4.340 -0.037 0.000 0.210 594 L C 2.596 179.552 176.870 0.142 0.000 1.073 594 L CA 1.550 56.408 54.840 0.030 0.000 0.748 594 L CB -0.638 41.425 42.059 0.007 0.000 0.891 594 L HN 0.197 nan 8.230 nan 0.000 0.431 595 A N -0.384 122.563 122.820 0.212 0.000 1.908 595 A HA -0.253 4.044 4.320 -0.037 0.000 0.218 595 A C 2.508 180.108 177.584 0.026 0.000 1.181 595 A CA 1.918 54.054 52.037 0.164 0.000 0.627 595 A CB -0.588 18.410 19.000 -0.004 0.000 0.818 595 A HN 0.351 nan 8.150 nan 0.000 0.445 596 R N -0.040 120.427 120.500 -0.055 0.000 2.075 596 R HA -0.043 4.275 4.340 -0.037 0.000 0.226 596 R C 1.059 177.341 176.300 -0.030 0.000 1.114 596 R CA 1.276 57.339 56.100 -0.062 0.000 0.972 596 R CB -0.195 30.044 30.300 -0.101 0.000 0.869 596 R HN 0.644 nan 8.270 nan 0.000 0.437 597 E N -0.230 119.956 120.200 -0.024 0.000 2.438 597 E HA 0.032 4.359 4.350 -0.037 0.000 0.192 597 E C 0.608 177.214 176.600 0.009 0.000 1.110 597 E CA 0.360 56.752 56.400 -0.013 0.000 0.893 597 E CB 0.046 29.732 29.700 -0.023 0.000 0.990 597 E HN 0.605 nan 8.360 nan 0.000 0.490 598 G N 1.763 110.581 108.800 0.030 0.000 2.225 598 G HA2 -0.370 3.568 3.960 -0.037 0.000 0.272 598 G HA3 -0.370 3.568 3.960 -0.037 0.000 0.272 598 G C 0.320 175.272 174.900 0.086 0.000 0.996 598 G CA 0.975 46.111 45.100 0.061 0.000 0.710 598 G HN 0.356 nan 8.290 nan 0.000 0.522 599 Q N -0.810 119.034 119.800 0.073 0.000 2.179 599 Q HA 0.727 5.045 4.340 -0.037 0.000 0.174 599 Q C 0.301 176.344 176.000 0.072 0.000 1.044 599 Q CA -0.276 55.551 55.803 0.039 0.000 1.105 599 Q CB 0.739 29.459 28.738 -0.031 0.000 1.213 599 Q HN 0.295 nan 8.270 nan 0.000 0.574 600 K N 0.708 121.036 120.400 -0.121 0.000 2.464 600 K HA 0.444 4.742 4.320 -0.037 0.000 0.253 600 K C -2.608 173.656 176.600 -0.560 0.000 0.933 600 K CA -1.991 54.055 56.287 -0.401 0.000 0.801 600 K CB 1.777 34.104 32.500 -0.289 0.000 1.271 600 K HN 0.325 nan 8.250 nan 0.000 0.430 601 P HA 0.075 nan 4.420 nan 0.000 0.269 601 P C -2.455 174.497 177.300 -0.580 0.000 1.217 601 P CA -0.942 61.691 63.100 -0.779 0.000 0.783 601 P CB -0.427 30.722 31.700 -0.917 0.000 0.898 602 P HA 0.011 nan 4.420 nan 0.000 0.270 602 P C -0.166 176.898 177.300 -0.393 0.000 1.227 602 P CA 0.032 62.808 63.100 -0.540 0.000 0.788 602 P CB 0.302 31.444 31.700 -0.929 0.000 0.926 603 E N 0.131 120.233 120.200 -0.163 0.000 2.265 603 E HA 0.298 4.625 4.350 -0.037 0.000 0.272 603 E C 0.804 177.486 176.600 0.137 0.000 1.067 603 E CA 0.426 56.818 56.400 -0.014 0.000 0.900 603 E CB -0.814 28.899 29.700 0.022 0.000 1.017 603 E HN 0.745 nan 8.360 nan 0.000 0.431 604 G N 4.104 112.976 108.800 0.120 0.000 2.255 604 G HA2 -0.293 3.645 3.960 -0.037 0.000 0.196 604 G HA3 -0.293 3.645 3.960 -0.037 0.000 0.196 604 G C 0.313 175.338 174.900 0.209 0.000 0.998 604 G CA 0.052 45.270 45.100 0.197 0.000 0.656 604 G HN 0.613 nan 8.290 nan 0.000 0.490 605 F N 0.994 120.933 119.950 -0.020 0.000 2.118 605 F HA 0.636 5.140 4.527 -0.038 0.000 0.293 605 F C 1.061 176.868 175.800 0.012 0.000 1.102 605 F CA 1.780 59.742 58.000 -0.064 0.000 1.247 605 F CB 0.155 38.968 39.000 -0.312 0.000 1.017 605 F HN 0.182 nan 8.300 nan 0.000 0.475 606 M N 0.278 119.846 119.600 -0.054 0.000 2.378 606 M HA 0.538 4.995 4.480 -0.037 0.000 0.289 606 M C -0.906 175.435 176.300 0.068 0.000 1.136 606 M CA -0.914 54.352 55.300 -0.058 0.000 0.917 606 M CB 1.843 34.481 32.600 0.064 0.000 1.669 606 M HN 0.059 nan 8.290 nan 0.000 0.461 607 A N 6.292 129.143 122.820 0.053 0.000 2.583 607 A HA 0.181 4.479 4.320 -0.037 0.000 0.249 607 A C -2.138 175.538 177.584 0.153 0.000 1.035 607 A CA -0.538 51.545 52.037 0.078 0.000 0.777 607 A CB -0.851 18.183 19.000 0.057 0.000 0.942 607 A HN 0.744 nan 8.150 nan 0.000 0.516 608 P HA -0.207 nan 4.420 nan 0.000 0.216 608 P C 1.439 178.869 177.300 0.216 0.000 1.157 608 P CA 1.818 65.030 63.100 0.187 0.000 0.880 608 P CB 0.141 31.912 31.700 0.117 0.000 0.791 609 K N -0.989 119.498 120.400 0.144 0.000 2.148 609 K HA -0.053 4.244 4.320 -0.037 0.000 0.204 609 K C 1.996 178.676 176.600 0.133 0.000 1.050 609 K CA 1.241 57.601 56.287 0.122 0.000 0.942 609 K CB -0.540 32.011 32.500 0.084 0.000 0.724 609 K HN -0.011 nan 8.250 nan 0.000 0.446 610 A N 0.697 123.612 122.820 0.158 0.000 1.872 610 A HA -0.174 4.123 4.320 -0.037 0.000 0.214 610 A C 1.948 179.651 177.584 0.198 0.000 1.187 610 A CA 1.036 53.168 52.037 0.158 0.000 0.614 610 A CB -1.069 18.022 19.000 0.152 0.000 0.826 610 A HN 0.665 nan 8.150 nan 0.000 0.442 611 W N 1.294 122.651 121.300 0.095 0.000 2.290 611 W HA -0.254 4.384 4.660 -0.036 0.000 0.311 611 W C 1.778 178.363 176.519 0.110 0.000 1.238 611 W CA 2.469 59.886 57.345 0.120 0.000 1.255 611 W CB -0.544 28.985 29.460 0.116 0.000 1.145 611 W HN 0.365 nan 8.180 nan 0.000 0.506 612 T N 0.846 115.402 114.554 0.004 0.000 2.777 612 T HA -0.181 4.146 4.350 -0.037 0.000 0.266 612 T C 1.820 176.445 174.700 -0.125 0.000 1.040 612 T CA 1.759 63.808 62.100 -0.086 0.000 1.141 612 T CB -0.761 68.142 68.868 0.057 0.000 0.868 612 T HN -0.014 nan 8.240 nan 0.000 0.444 613 V N 1.695 121.594 119.914 -0.024 0.000 2.324 613 V HA -0.168 3.929 4.120 -0.037 0.000 0.250 613 V C 2.494 178.528 176.094 -0.101 0.000 1.060 613 V CA 1.565 63.896 62.300 0.052 0.000 1.042 613 V CB -0.665 31.236 31.823 0.129 0.000 0.650 613 V HN 0.458 nan 8.190 nan 0.000 0.450 614 L N 0.325 121.388 121.223 -0.266 0.000 2.046 614 L HA -0.195 4.123 4.340 -0.037 0.000 0.208 614 L C 2.847 179.370 176.870 -0.578 0.000 1.077 614 L CA 2.166 56.728 54.840 -0.463 0.000 0.747 614 L CB -1.194 40.573 42.059 -0.487 0.000 0.896 614 L HN 0.627 nan 8.230 nan 0.000 0.432 615 T N -3.374 110.804 114.554 -0.627 0.000 2.720 615 T HA -0.217 4.110 4.350 -0.037 0.000 0.268 615 T C 1.721 176.241 174.700 -0.299 0.000 1.037 615 T CA 1.255 63.111 62.100 -0.406 0.000 1.144 615 T CB -0.261 68.406 68.868 -0.334 0.000 0.864 615 T HN 0.109 nan 8.240 nan 0.000 0.444 616 E N 0.563 120.597 120.200 -0.277 0.000 2.085 616 E HA -0.064 4.263 4.350 -0.037 0.000 0.194 616 E C 1.706 177.942 176.600 -0.606 0.000 0.994 616 E CA 1.282 57.544 56.400 -0.230 0.000 0.801 616 E CB -0.725 28.998 29.700 0.039 0.000 0.743 616 E HN 0.853 nan 8.360 nan 0.000 0.453 617 Y N -0.627 118.978 120.300 -1.158 0.000 2.089 617 Y HA -0.293 4.251 4.550 -0.011 0.000 0.282 617 Y C 2.038 177.396 175.900 -0.904 0.000 1.139 617 Y CA 1.685 58.751 58.100 -1.723 0.000 1.123 617 Y CB -0.562 36.930 38.460 -1.613 0.000 0.980 617 Y HN 0.088 nan 8.280 nan 0.000 0.493 618 Y N 0.584 120.330 120.300 -0.923 0.000 2.298 618 Y HA -0.301 4.220 4.550 -0.048 0.000 0.287 618 Y C 2.542 178.129 175.900 -0.521 0.000 1.164 618 Y CA 1.389 59.020 58.100 -0.782 0.000 1.229 618 Y CB -0.185 37.994 38.460 -0.468 0.000 0.977 618 Y HN 0.163 nan 8.280 nan 0.000 0.538 619 K N 0.513 120.745 120.400 -0.281 0.000 1.985 619 K HA -0.159 4.139 4.320 -0.037 0.000 0.210 619 K C 2.155 178.645 176.600 -0.184 0.000 1.047 619 K CA 1.784 57.962 56.287 -0.181 0.000 0.932 619 K CB -0.264 32.155 32.500 -0.135 0.000 0.716 619 K HN 0.221 nan 8.250 nan 0.000 0.439 620 S N 0.746 116.308 115.700 -0.230 0.000 2.474 620 S HA -0.073 4.375 4.470 -0.037 0.000 0.235 620 S C 1.870 176.372 174.600 -0.162 0.000 0.997 620 S CA 0.582 58.706 58.200 -0.126 0.000 0.949 620 S CB -0.306 62.897 63.200 0.006 0.000 0.766 620 S HN 0.246 nan 8.310 nan 0.000 0.517 621 L N 1.491 122.521 121.223 -0.321 0.000 2.056 621 L HA 0.012 4.329 4.340 -0.037 0.000 0.207 621 L C 0.472 177.256 176.870 -0.144 0.000 1.078 621 L CA 1.302 55.975 54.840 -0.278 0.000 0.749 621 L CB -0.358 41.419 42.059 -0.470 0.000 0.901 621 L HN 0.398 nan 8.230 nan 0.000 0.433 622 E N 2.218 122.336 120.200 -0.136 0.000 1.932 622 E HA 0.240 4.568 4.350 -0.037 0.000 0.275 622 E C -0.700 175.863 176.600 -0.061 0.000 1.159 622 E CA 0.215 56.564 56.400 -0.086 0.000 0.905 622 E CB 0.944 30.594 29.700 -0.083 0.000 1.059 622 E HN 0.296 nan 8.360 nan 0.000 0.400 623 K N 0.000 120.374 120.400 -0.043 0.000 2.780 623 K HA 0.000 4.298 4.320 -0.037 0.000 0.191 623 K CA 0.000 56.272 56.287 -0.024 0.000 0.838 623 K CB 0.000 32.488 32.500 -0.019 0.000 1.064 623 K HN 0.000 nan 8.250 nan 0.000 0.543