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 1be3_1_B DATA FIRST_RESID 21 DATA SEQUENCE PQDLEFTRLP NGLVIASLEN YAPASRIGLF IKAGSRYENS NNLGTSHLLR DATA SEQUENCE LASSLTTKGA SSFKITRGIE AVGGKLSVTS TRENMAYTVE CLRDDVDILM DATA SEQUENCE EFLLNVTTAP EFRRWEVAAL QPQLRIDKAV ALQNPQAHVI ENLHAAAYRN DATA SEQUENCE ALANSLYCPD YRIGKVTPVE LHDYVQNHFT SARMALIGLG VSHPVLKQVA DATA SEQUENCE EQFLNIRGGL GLSGAKAKYH GGEIREQNGD SLVHAALVAE SAAIGSAEAN DATA SEQUENCE AFSVLQHVLG AGPHVKRGSN ATSSLYQAVA KGVHQPFDVS AFNASYSDSG DATA SEQUENCE LFGFYTISQA ASAGDVIKAA YNQVKTIAQG NLSNPDVQAA KNKLKAGYLM DATA SEQUENCE SVESSEGFLD EVGSQALAAG SYTPPSTVLQ QIDAVADADV INAAKKFVSG DATA SEQUENCE RKSMAASGNL GHTPFIDEL 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 21 P HA 0.000 nan 4.420 nan 0.000 0.216 21 P C 0.000 177.311 177.300 0.019 0.000 1.155 21 P CA 0.000 63.110 63.100 0.016 0.000 0.800 21 P CB 0.000 31.708 31.700 0.014 0.000 0.726 22 Q N 1.607 121.420 119.800 0.022 0.000 2.243 22 Q HA 0.285 4.625 4.340 0.000 0.000 0.252 22 Q C -0.341 175.679 176.000 0.034 0.000 0.909 22 Q CA 0.249 56.066 55.803 0.024 0.000 0.922 22 Q CB 1.202 29.955 28.738 0.024 0.000 1.215 22 Q HN 0.343 nan 8.270 nan 0.000 0.427 23 D N 1.225 121.653 120.400 0.047 0.000 2.451 23 D HA 0.254 4.894 4.640 0.000 0.000 0.259 23 D C 0.479 176.832 176.300 0.088 0.000 1.201 23 D CA -0.538 53.511 54.000 0.082 0.000 1.028 23 D CB 0.547 41.412 40.800 0.109 0.000 1.095 23 D HN 0.152 nan 8.370 nan 0.000 0.539 24 L N -0.595 120.715 121.223 0.145 0.000 2.468 24 L HA 0.285 4.625 4.340 0.000 0.000 0.253 24 L C 0.564 177.470 176.870 0.060 0.000 1.237 24 L CA 0.195 55.109 54.840 0.123 0.000 0.823 24 L CB -0.644 41.508 42.059 0.153 0.000 1.124 24 L HN 0.441 nan 8.230 nan 0.000 0.504 25 E N -0.130 120.106 120.200 0.060 0.000 2.621 25 E HA 0.350 4.700 4.350 0.000 0.000 0.263 25 E C -1.417 175.226 176.600 0.072 0.000 1.033 25 E CA -0.452 55.967 56.400 0.032 0.000 0.778 25 E CB 0.575 30.471 29.700 0.326 0.000 1.426 25 E HN 0.396 nan 8.360 nan 0.000 0.394 26 F N 0.574 120.625 119.950 0.169 0.000 2.380 26 F HA 0.694 5.221 4.527 0.000 0.000 0.325 26 F C 0.102 176.014 175.800 0.187 0.000 1.136 26 F CA -0.538 57.541 58.000 0.130 0.000 1.171 26 F CB 1.059 40.114 39.000 0.091 0.000 1.230 26 F HN -0.040 nan 8.300 nan 0.000 0.554 27 T N 1.682 116.470 114.554 0.390 0.000 3.293 27 T HA 0.339 4.689 4.350 0.000 0.000 0.320 27 T C -1.066 173.756 174.700 0.202 0.000 0.995 27 T CA -0.726 61.547 62.100 0.288 0.000 1.041 27 T CB 1.198 70.251 68.868 0.308 0.000 1.058 27 T HN 0.781 nan 8.240 nan 0.000 0.453 28 R N 3.641 124.239 120.500 0.163 0.000 2.294 28 R HA 0.667 5.007 4.340 0.000 0.000 0.319 28 R C -0.370 175.978 176.300 0.080 0.000 0.984 28 R CA -0.551 55.610 56.100 0.102 0.000 0.861 28 R CB 0.484 30.829 30.300 0.076 0.000 1.104 28 R HN 0.544 nan 8.270 nan 0.000 0.451 29 L N 6.031 127.293 121.223 0.066 0.000 2.469 29 L HA 0.366 4.706 4.340 0.000 0.000 0.253 29 L C -1.206 175.686 176.870 0.036 0.000 1.143 29 L CA -2.195 52.676 54.840 0.052 0.000 0.804 29 L CB 0.692 42.779 42.059 0.048 0.000 1.214 29 L HN 0.591 nan 8.230 nan 0.000 0.476 30 P HA -0.181 nan 4.420 nan 0.000 0.216 30 P C 0.757 178.067 177.300 0.017 0.000 1.154 30 P CA 1.651 64.763 63.100 0.020 0.000 0.865 30 P CB -0.007 31.702 31.700 0.015 0.000 0.789 31 N N -1.752 116.958 118.700 0.017 0.000 2.166 31 N HA -0.031 4.709 4.740 0.000 0.000 0.186 31 N C 1.243 176.760 175.510 0.013 0.000 1.019 31 N CA 1.239 54.297 53.050 0.013 0.000 0.856 31 N CB -0.338 38.157 38.487 0.014 0.000 0.993 31 N HN 0.229 nan 8.380 nan 0.000 0.426 32 G N 0.280 109.091 108.800 0.019 0.000 2.154 32 G HA2 -0.184 3.776 3.960 0.000 0.000 0.186 32 G HA3 -0.184 3.776 3.960 0.000 0.000 0.186 32 G C -0.141 174.770 174.900 0.018 0.000 1.000 32 G CA -0.018 45.092 45.100 0.017 0.000 0.664 32 G HN 0.300 nan 8.290 nan 0.000 0.513 33 L N -0.744 120.494 121.223 0.026 0.000 2.295 33 L HA 0.923 5.263 4.340 0.000 0.000 0.285 33 L C 0.134 177.029 176.870 0.041 0.000 1.035 33 L CA -1.324 53.532 54.840 0.027 0.000 0.806 33 L CB 1.763 43.837 42.059 0.026 0.000 1.214 33 L HN -0.120 nan 8.230 nan 0.000 0.426 34 V N 5.460 125.395 119.914 0.035 0.000 2.607 34 V HA 0.443 4.563 4.120 0.000 0.000 0.289 34 V C 0.339 176.459 176.094 0.043 0.000 1.053 34 V CA -0.317 62.013 62.300 0.049 0.000 0.996 34 V CB 1.471 33.301 31.823 0.012 0.000 0.995 34 V HN 0.822 nan 8.190 nan 0.000 0.476 35 I N 2.365 122.967 120.570 0.052 0.000 2.722 35 I HA 0.930 5.100 4.170 0.000 0.000 0.295 35 I C -0.653 175.381 176.117 -0.139 0.000 1.161 35 I CA -0.588 60.690 61.300 -0.036 0.000 1.032 35 I CB 2.112 40.079 38.000 -0.056 0.000 1.244 35 I HN 0.697 nan 8.210 nan 0.000 0.421 36 A N 4.032 126.751 122.820 -0.168 0.000 2.479 36 A HA 0.910 5.230 4.320 0.000 0.000 0.296 36 A C -0.923 176.553 177.584 -0.180 0.000 1.121 36 A CA -0.352 51.591 52.037 -0.156 0.000 0.743 36 A CB 1.859 20.854 19.000 -0.009 0.000 1.323 36 A HN 1.101 nan 8.150 nan 0.000 0.415 37 S N 0.068 115.712 115.700 -0.094 0.000 2.582 37 S HA 0.558 5.028 4.470 0.000 0.000 0.287 37 S C -2.004 172.616 174.600 0.033 0.000 1.146 37 S CA -0.439 57.744 58.200 -0.029 0.000 0.941 37 S CB 0.414 63.591 63.200 -0.038 0.000 1.115 37 S HN 0.839 nan 8.310 nan 0.000 0.458 38 L N 3.641 124.878 121.223 0.024 0.000 2.342 38 L HA 0.525 4.865 4.340 0.000 0.000 0.276 38 L C 0.120 176.984 176.870 -0.011 0.000 0.997 38 L CA -0.289 54.555 54.840 0.006 0.000 0.838 38 L CB 1.699 43.728 42.059 -0.050 0.000 1.224 38 L HN 0.802 nan 8.230 nan 0.000 0.416 39 E N 3.567 123.770 120.200 0.006 0.000 2.029 39 E HA 0.026 4.376 4.350 0.000 0.000 0.276 39 E C -0.318 176.277 176.600 -0.008 0.000 1.163 39 E CA -0.291 56.108 56.400 -0.001 0.000 0.909 39 E CB 0.448 30.156 29.700 0.012 0.000 1.046 39 E HN 0.447 nan 8.360 nan 0.000 0.406 40 N N 2.870 121.544 118.700 -0.043 0.000 2.408 40 N HA -0.042 4.698 4.740 0.000 0.000 0.260 40 N C 0.647 176.144 175.510 -0.022 0.000 1.242 40 N CA -0.138 52.881 53.050 -0.052 0.000 0.959 40 N CB 0.454 38.844 38.487 -0.162 0.000 1.201 40 N HN 0.502 nan 8.380 nan 0.000 0.511 41 Y N 0.115 120.388 120.300 -0.045 0.000 2.206 41 Y HA 0.413 4.963 4.550 0.000 0.000 0.292 41 Y C 0.971 176.854 175.900 -0.028 0.000 1.123 41 Y CA 0.199 58.280 58.100 -0.032 0.000 1.142 41 Y CB -0.947 37.495 38.460 -0.032 0.000 1.006 41 Y HN 0.374 nan 8.280 nan 0.000 0.518 42 A N 2.584 124.867 122.820 -0.896 0.000 2.386 42 A HA 0.211 4.531 4.320 0.000 0.000 0.246 42 A C -1.220 176.201 177.584 -0.272 0.000 1.089 42 A CA -0.649 51.016 52.037 -0.620 0.000 0.790 42 A CB -0.687 17.800 19.000 -0.855 0.000 1.042 42 A HN 0.428 nan 8.150 nan 0.000 0.497 43 P HA 0.104 nan 4.420 nan 0.000 0.242 43 P C 0.040 177.285 177.300 -0.091 0.000 1.197 43 P CA 1.114 64.158 63.100 -0.095 0.000 0.765 43 P CB -0.136 31.530 31.700 -0.057 0.000 0.936 44 A N 0.628 123.377 122.820 -0.119 0.000 2.258 44 A HA 0.528 4.848 4.320 0.000 0.000 0.316 44 A C 0.301 177.836 177.584 -0.082 0.000 1.279 44 A CA -0.389 51.593 52.037 -0.090 0.000 0.876 44 A CB 0.506 19.448 19.000 -0.098 0.000 1.170 44 A HN 0.162 nan 8.150 nan 0.000 0.520 45 S N 3.044 118.711 115.700 -0.055 0.000 2.454 45 S HA 0.784 5.254 4.470 0.000 0.000 0.306 45 S C -0.473 174.111 174.600 -0.027 0.000 1.100 45 S CA -0.869 57.305 58.200 -0.044 0.000 1.087 45 S CB 1.084 64.262 63.200 -0.036 0.000 1.019 45 S HN 0.703 nan 8.310 nan 0.000 0.480 46 R N 3.106 123.596 120.500 -0.016 0.000 2.502 46 R HA 0.577 4.917 4.340 0.000 0.000 0.300 46 R C -0.582 175.723 176.300 0.009 0.000 0.984 46 R CA -0.663 55.434 56.100 -0.005 0.000 0.882 46 R CB 1.095 31.395 30.300 0.001 0.000 1.180 46 R HN 0.563 nan 8.270 nan 0.000 0.444 47 I N 1.159 121.730 120.570 0.001 0.000 2.934 47 I HA 0.646 4.816 4.170 0.000 0.000 0.315 47 I C 0.628 176.743 176.117 -0.004 0.000 0.997 47 I CA -0.912 60.392 61.300 0.007 0.000 1.184 47 I CB 1.799 39.795 38.000 -0.007 0.000 1.400 47 I HN 0.888 nan 8.210 nan 0.000 0.549 48 G N 3.815 112.616 108.800 0.002 0.000 2.287 48 G HA2 0.326 4.286 3.960 0.000 0.000 0.303 48 G HA3 0.326 4.286 3.960 0.000 0.000 0.303 48 G C -1.534 173.336 174.900 -0.050 0.000 2.212 48 G CA -0.503 44.547 45.100 -0.083 0.000 0.928 48 G HN 0.353 nan 8.290 nan 0.000 0.440 49 L N 2.721 123.905 121.223 -0.065 0.000 2.369 49 L HA 0.701 5.041 4.340 0.000 0.000 0.279 49 L C -0.922 175.930 176.870 -0.030 0.000 1.108 49 L CA -0.908 53.925 54.840 -0.011 0.000 0.852 49 L CB -0.346 41.657 42.059 -0.093 0.000 1.169 49 L HN 0.288 nan 8.230 nan 0.000 0.452 50 F N 6.676 126.607 119.950 -0.033 0.000 2.368 50 F HA 0.409 4.936 4.527 0.000 0.000 0.362 50 F C 0.405 176.171 175.800 -0.058 0.000 1.137 50 F CA -0.488 57.497 58.000 -0.024 0.000 1.161 50 F CB -0.059 38.932 39.000 -0.014 0.000 1.265 50 F HN 0.296 nan 8.300 nan 0.000 0.530 51 I N 2.893 123.478 120.570 0.026 0.000 2.440 51 I HA 0.191 4.361 4.170 0.000 0.000 0.294 51 I C 1.239 177.380 176.117 0.040 0.000 0.995 51 I CA -0.752 60.514 61.300 -0.055 0.000 1.306 51 I CB 1.269 39.056 38.000 -0.355 0.000 1.407 51 I HN 0.497 nan 8.210 nan 0.000 0.501 52 K N 3.695 124.108 120.400 0.021 0.000 2.665 52 K HA 0.103 4.423 4.320 0.000 0.000 0.196 52 K C 0.279 176.834 176.600 -0.076 0.000 1.021 52 K CA -0.097 56.199 56.287 0.016 0.000 1.066 52 K CB -0.080 32.414 32.500 -0.011 0.000 0.849 52 K HN 0.732 nan 8.250 nan 0.000 0.500 53 A N 0.484 123.295 122.820 -0.015 0.000 2.276 53 A HA 0.527 4.847 4.320 0.000 0.000 0.300 53 A C 0.423 178.174 177.584 0.278 0.000 1.235 53 A CA -0.433 51.562 52.037 -0.071 0.000 0.867 53 A CB 0.954 19.892 19.000 -0.103 0.000 1.137 53 A HN 0.333 nan 8.150 nan 0.000 0.527 54 G N 0.100 109.254 108.800 0.590 0.000 2.828 54 G HA2 0.428 4.388 3.960 0.000 0.000 0.244 54 G HA3 0.428 4.388 3.960 0.000 0.000 0.244 54 G C 1.128 176.226 174.900 0.329 0.000 1.365 54 G CA 0.462 45.785 45.100 0.372 0.000 1.041 54 G HN 1.205 nan 8.290 nan 0.000 0.560 55 S N -0.986 114.781 115.700 0.112 0.000 2.470 55 S HA -0.096 4.374 4.470 0.000 0.000 0.225 55 S C 2.057 176.640 174.600 -0.029 0.000 1.006 55 S CA 1.074 59.285 58.200 0.019 0.000 0.934 55 S CB -0.198 62.956 63.200 -0.076 0.000 0.778 55 S HN 0.661 nan 8.310 nan 0.000 0.517 56 R N -0.220 120.204 120.500 -0.127 0.000 2.285 56 R HA 0.080 4.420 4.340 0.000 0.000 0.213 56 R C 0.815 176.904 176.300 -0.352 0.000 1.068 56 R CA 0.964 56.888 56.100 -0.292 0.000 1.004 56 R CB -1.115 28.931 30.300 -0.423 0.000 0.873 56 R HN 0.473 nan 8.270 nan 0.000 0.467 57 Y N 1.721 122.057 120.300 0.059 0.000 2.519 57 Y HA 0.136 4.686 4.550 0.000 0.000 0.311 57 Y C -0.053 175.923 175.900 0.127 0.000 1.207 57 Y CA -0.184 57.984 58.100 0.113 0.000 1.289 57 Y CB -0.250 38.255 38.460 0.077 0.000 1.059 57 Y HN 0.277 nan 8.280 nan 0.000 0.507 58 E N -0.843 119.427 120.200 0.118 0.000 2.281 58 E HA 0.332 4.682 4.350 0.000 0.000 0.257 58 E C -0.583 176.041 176.600 0.040 0.000 0.971 58 E CA -1.127 55.317 56.400 0.073 0.000 0.839 58 E CB 0.903 30.575 29.700 -0.047 0.000 1.238 58 E HN -0.058 nan 8.360 nan 0.000 0.412 59 N N -1.031 117.688 118.700 0.032 0.000 2.653 59 N HA 0.200 4.940 4.740 0.000 0.000 0.294 59 N C 0.377 175.896 175.510 0.016 0.000 1.305 59 N CA -0.544 52.521 53.050 0.025 0.000 0.827 59 N CB 1.541 40.051 38.487 0.039 0.000 1.415 59 N HN 0.334 nan 8.380 nan 0.000 0.546 60 S N 0.138 115.852 115.700 0.023 0.000 2.380 60 S HA -0.140 4.330 4.470 0.000 0.000 0.229 60 S C 1.161 175.792 174.600 0.051 0.000 1.043 60 S CA 1.200 59.424 58.200 0.039 0.000 1.038 60 S CB -0.309 62.909 63.200 0.030 0.000 0.872 60 S HN 0.562 nan 8.310 nan 0.000 0.456 61 N N 0.898 119.618 118.700 0.034 0.000 2.446 61 N HA 0.072 4.812 4.740 0.000 0.000 0.179 61 N C 1.216 176.731 175.510 0.007 0.000 1.054 61 N CA 0.433 53.502 53.050 0.031 0.000 0.905 61 N CB -0.246 38.258 38.487 0.028 0.000 0.973 61 N HN 0.550 nan 8.380 nan 0.000 0.448 62 N N -0.109 118.586 118.700 -0.009 0.000 2.294 62 N HA 0.173 4.913 4.740 0.000 0.000 0.186 62 N C -0.283 175.159 175.510 -0.112 0.000 1.107 62 N CA -0.191 52.827 53.050 -0.052 0.000 0.884 62 N CB 0.585 39.061 38.487 -0.019 0.000 1.030 62 N HN -0.016 nan 8.380 nan 0.000 0.482 63 L N 0.904 122.074 121.223 -0.088 0.000 2.693 63 L HA -0.098 4.242 4.340 0.000 0.000 0.292 63 L C 1.350 178.112 176.870 -0.180 0.000 1.243 63 L CA 1.026 55.793 54.840 -0.123 0.000 0.903 63 L CB -0.017 41.991 42.059 -0.086 0.000 1.160 63 L HN 0.373 nan 8.230 nan 0.000 0.496 64 G N 1.619 110.304 108.800 -0.192 0.000 2.176 64 G HA2 -0.261 3.699 3.960 0.000 0.000 0.232 64 G HA3 -0.261 3.699 3.960 0.000 0.000 0.232 64 G C 0.690 175.476 174.900 -0.190 0.000 0.986 64 G CA 0.327 45.318 45.100 -0.182 0.000 0.643 64 G HN 0.637 nan 8.290 nan 0.000 0.522 65 T N 0.642 115.009 114.554 -0.311 0.000 2.976 65 T HA 0.068 4.418 4.350 0.000 0.000 0.257 65 T C 2.642 177.040 174.700 -0.504 0.000 1.051 65 T CA 2.076 63.922 62.100 -0.423 0.000 1.141 65 T CB -0.156 68.385 68.868 -0.545 0.000 0.881 65 T HN 0.935 nan 8.240 nan 0.000 0.461 66 S N 1.630 116.963 115.700 -0.611 0.000 2.359 66 S HA -0.319 4.151 4.470 0.000 0.000 0.222 66 S C 1.933 176.451 174.600 -0.136 0.000 1.038 66 S CA 2.249 60.223 58.200 -0.378 0.000 1.051 66 S CB -0.853 62.246 63.200 -0.168 0.000 0.944 66 S HN 0.663 nan 8.310 nan 0.000 0.433 67 H N 0.788 119.745 119.070 -0.189 0.000 2.357 67 H HA -0.104 4.452 4.556 0.000 0.000 0.296 67 H C 2.039 177.315 175.328 -0.086 0.000 1.108 67 H CA 2.102 58.073 56.048 -0.128 0.000 1.273 67 H CB -0.476 29.215 29.762 -0.118 0.000 1.367 67 H HN 0.449 nan 8.280 nan 0.000 0.498 68 L N -0.495 120.716 121.223 -0.020 0.000 2.156 68 L HA -0.003 4.337 4.340 0.000 0.000 0.208 68 L C 2.144 178.997 176.870 -0.027 0.000 1.095 68 L CA 1.231 56.053 54.840 -0.030 0.000 0.770 68 L CB -0.650 41.394 42.059 -0.024 0.000 0.914 68 L HN 0.386 nan 8.230 nan 0.000 0.439 69 L N 0.166 121.366 121.223 -0.039 0.000 2.046 69 L HA -0.193 4.147 4.340 0.000 0.000 0.208 69 L C 2.752 179.705 176.870 0.138 0.000 1.077 69 L CA 2.003 56.898 54.840 0.091 0.000 0.747 69 L CB -0.807 41.284 42.059 0.053 0.000 0.896 69 L HN 0.407 nan 8.230 nan 0.000 0.432 70 R N -0.682 119.828 120.500 0.016 0.000 2.105 70 R HA -0.151 4.189 4.340 0.000 0.000 0.239 70 R C 2.041 178.281 176.300 -0.099 0.000 1.135 70 R CA 1.761 57.810 56.100 -0.084 0.000 0.967 70 R CB -0.266 29.919 30.300 -0.191 0.000 0.861 70 R HN 0.482 nan 8.270 nan 0.000 0.442 71 L N -0.251 120.903 121.223 -0.115 0.000 2.509 71 L HA 0.135 4.475 4.340 0.000 0.000 0.222 71 L C 1.637 178.505 176.870 -0.003 0.000 1.123 71 L CA 0.341 55.129 54.840 -0.087 0.000 0.856 71 L CB 0.072 42.063 42.059 -0.113 0.000 0.985 71 L HN 0.203 nan 8.230 nan 0.000 0.456 72 A N -0.494 122.364 122.820 0.063 0.000 2.411 72 A HA 0.022 4.342 4.320 0.000 0.000 0.251 72 A C 1.960 179.602 177.584 0.096 0.000 1.317 72 A CA 0.622 52.732 52.037 0.121 0.000 0.904 72 A CB -0.285 18.890 19.000 0.293 0.000 0.993 72 A HN 0.329 nan 8.150 nan 0.000 0.504 73 S N -0.304 115.443 115.700 0.079 0.000 2.593 73 S HA 0.011 4.481 4.470 0.000 0.000 0.217 73 S C 0.928 175.523 174.600 -0.008 0.000 0.966 73 S CA 0.855 59.112 58.200 0.094 0.000 0.914 73 S CB -0.307 62.987 63.200 0.157 0.000 0.776 73 S HN 0.485 nan 8.310 nan 0.000 0.523 74 S N 1.149 116.820 115.700 -0.048 0.000 2.651 74 S HA 0.479 4.949 4.470 0.000 0.000 0.246 74 S C 0.009 174.550 174.600 -0.100 0.000 1.039 74 S CA -0.768 57.372 58.200 -0.100 0.000 1.013 74 S CB -0.181 62.957 63.200 -0.104 0.000 0.861 74 S HN 0.404 nan 8.310 nan 0.000 0.485 75 L N 1.055 122.211 121.223 -0.111 0.000 2.431 75 L HA 0.448 4.788 4.340 0.000 0.000 0.260 75 L C 0.754 177.532 176.870 -0.153 0.000 1.098 75 L CA -0.789 53.974 54.840 -0.128 0.000 0.800 75 L CB 0.018 41.970 42.059 -0.178 0.000 1.210 75 L HN -0.061 nan 8.230 nan 0.000 0.465 76 T N 0.918 115.400 114.554 -0.121 0.000 2.933 76 T HA 0.231 4.581 4.350 0.000 0.000 0.306 76 T C 0.192 174.807 174.700 -0.142 0.000 1.045 76 T CA 0.200 62.251 62.100 -0.083 0.000 1.143 76 T CB 0.045 68.897 68.868 -0.027 0.000 1.003 76 T HN 0.852 nan 8.240 nan 0.000 0.540 77 T N 0.519 115.023 114.554 -0.084 0.000 2.887 77 T HA 0.479 4.829 4.350 0.000 0.000 0.292 77 T C 1.165 175.857 174.700 -0.013 0.000 1.087 77 T CA -1.142 60.908 62.100 -0.083 0.000 1.009 77 T CB 1.782 70.606 68.868 -0.074 0.000 1.203 77 T HN 0.365 nan 8.240 nan 0.000 0.518 78 K N 0.560 120.963 120.400 0.004 0.000 2.015 78 K HA -0.168 4.152 4.320 0.000 0.000 0.220 78 K C 1.986 178.614 176.600 0.047 0.000 1.055 78 K CA 2.519 58.825 56.287 0.032 0.000 0.951 78 K CB -1.206 31.320 32.500 0.043 0.000 0.725 78 K HN 0.833 nan 8.250 nan 0.000 0.449 79 G N -0.690 108.144 108.800 0.057 0.000 2.777 79 G HA2 0.264 4.224 3.960 0.000 0.000 0.211 79 G HA3 0.264 4.224 3.960 0.000 0.000 0.211 79 G C 0.002 174.959 174.900 0.095 0.000 1.149 79 G CA 0.440 45.581 45.100 0.068 0.000 0.785 79 G HN 0.520 nan 8.290 nan 0.000 0.536 80 A N 0.496 123.383 122.820 0.112 0.000 2.374 80 A HA 0.694 5.014 4.320 0.000 0.000 0.305 80 A C 0.116 177.756 177.584 0.093 0.000 1.053 80 A CA -0.297 51.838 52.037 0.162 0.000 0.726 80 A CB 1.276 20.463 19.000 0.312 0.000 1.229 80 A HN 0.501 nan 8.150 nan 0.000 0.431 81 S N 1.268 117.034 115.700 0.111 0.000 2.617 81 S HA 0.380 4.850 4.470 0.000 0.000 0.269 81 S C 1.431 176.069 174.600 0.064 0.000 1.292 81 S CA 0.124 58.381 58.200 0.094 0.000 1.010 81 S CB 1.330 64.610 63.200 0.134 0.000 0.944 81 S HN 1.752 nan 8.310 nan 0.000 0.536 82 S N 1.119 116.849 115.700 0.050 0.000 2.400 82 S HA -0.196 4.274 4.470 0.000 0.000 0.232 82 S C 1.443 176.039 174.600 -0.007 0.000 1.025 82 S CA 1.060 59.255 58.200 -0.007 0.000 0.993 82 S CB -0.959 62.243 63.200 0.005 0.000 0.808 82 S HN 0.711 nan 8.310 nan 0.000 0.478 83 F N 2.541 122.473 119.950 -0.030 0.000 2.084 83 F HA 0.035 4.562 4.527 0.000 0.000 0.296 83 F C 2.498 178.277 175.800 -0.034 0.000 1.111 83 F CA 1.958 59.944 58.000 -0.023 0.000 1.224 83 F CB -0.502 38.502 39.000 0.007 0.000 0.991 83 F HN 0.235 nan 8.300 nan 0.000 0.471 84 K N 0.695 121.262 120.400 0.279 0.000 2.032 84 K HA -0.202 4.118 4.320 0.000 0.000 0.209 84 K C 2.086 178.643 176.600 -0.070 0.000 1.048 84 K CA 2.218 58.630 56.287 0.208 0.000 0.927 84 K CB -0.472 32.204 32.500 0.293 0.000 0.712 84 K HN 0.417 nan 8.250 nan 0.000 0.441 85 I N 0.996 121.357 120.570 -0.348 0.000 2.127 85 I HA -0.318 3.852 4.170 0.000 0.000 0.241 85 I C 2.145 177.839 176.117 -0.704 0.000 1.075 85 I CA 1.967 62.662 61.300 -1.009 0.000 1.334 85 I CB -0.799 36.815 38.000 -0.642 0.000 1.040 85 I HN 0.413 nan 8.210 nan 0.000 0.405 86 T N 0.416 114.718 114.554 -0.420 0.000 2.614 86 T HA -0.126 4.224 4.350 0.000 0.000 0.263 86 T C 2.029 176.552 174.700 -0.294 0.000 1.055 86 T CA 0.804 62.706 62.100 -0.331 0.000 1.162 86 T CB -0.377 68.310 68.868 -0.302 0.000 0.863 86 T HN 0.201 nan 8.240 nan 0.000 0.414 87 R N 1.296 121.568 120.500 -0.380 0.000 2.091 87 R HA -0.035 4.305 4.340 0.000 0.000 0.238 87 R C 2.801 179.056 176.300 -0.075 0.000 1.136 87 R CA 1.487 57.420 56.100 -0.278 0.000 0.959 87 R CB -1.572 28.482 30.300 -0.410 0.000 0.856 87 R HN 0.549 nan 8.270 nan 0.000 0.437 88 G N 2.206 111.019 108.800 0.021 0.000 2.812 88 G HA2 -0.305 3.655 3.960 0.000 0.000 0.218 88 G HA3 -0.305 3.655 3.960 0.000 0.000 0.218 88 G C 1.567 176.565 174.900 0.163 0.000 1.287 88 G CA 1.428 46.672 45.100 0.241 0.000 0.796 88 G HN 0.300 nan 8.290 nan 0.000 0.649 89 I N 0.780 121.407 120.570 0.096 0.000 2.236 89 I HA -0.239 3.931 4.170 0.000 0.000 0.249 89 I C 2.787 178.910 176.117 0.009 0.000 1.102 89 I CA 1.732 63.066 61.300 0.058 0.000 1.365 89 I CB -0.466 37.519 38.000 -0.026 0.000 1.051 89 I HN 0.375 nan 8.210 nan 0.000 0.420 90 E N 1.045 121.226 120.200 -0.032 0.000 2.077 90 E HA -0.215 4.135 4.350 0.000 0.000 0.193 90 E C 2.412 179.008 176.600 -0.008 0.000 0.989 90 E CA 1.229 57.608 56.400 -0.034 0.000 0.800 90 E CB -0.231 29.429 29.700 -0.067 0.000 0.746 90 E HN 0.546 nan 8.360 nan 0.000 0.452 91 A N 0.794 123.619 122.820 0.009 0.000 1.997 91 A HA -0.188 4.132 4.320 0.000 0.000 0.221 91 A C 2.281 179.876 177.584 0.018 0.000 1.172 91 A CA 1.517 53.567 52.037 0.022 0.000 0.645 91 A CB -0.292 18.735 19.000 0.045 0.000 0.813 91 A HN 0.167 nan 8.150 nan 0.000 0.454 92 V N -1.849 118.078 119.914 0.022 0.000 3.643 92 V HA 0.371 4.491 4.120 0.000 0.000 0.280 92 V C 1.527 177.625 176.094 0.007 0.000 1.351 92 V CA 0.719 63.029 62.300 0.016 0.000 1.073 92 V CB -0.308 31.530 31.823 0.025 0.000 0.863 92 V HN 1.175 nan 8.190 nan 0.000 0.436 93 G N 0.761 109.562 108.800 0.002 0.000 2.182 93 G HA2 -0.147 3.813 3.960 0.000 0.000 0.248 93 G HA3 -0.147 3.813 3.960 0.000 0.000 0.248 93 G C 0.398 175.294 174.900 -0.006 0.000 1.042 93 G CA 0.046 45.143 45.100 -0.005 0.000 0.775 93 G HN 0.914 nan 8.290 nan 0.000 0.501 94 G N -0.712 108.088 108.800 -0.001 0.000 2.410 94 G HA2 0.647 4.607 3.960 0.000 0.000 0.330 94 G HA3 0.647 4.607 3.960 0.000 0.000 0.330 94 G C -0.078 174.815 174.900 -0.011 0.000 1.142 94 G CA -0.046 45.054 45.100 -0.000 0.000 0.902 94 G HN 0.530 nan 8.290 nan 0.000 0.491 95 K N 0.041 120.432 120.400 -0.015 0.000 2.095 95 K HA 0.589 4.909 4.320 0.000 0.000 0.252 95 K C -1.418 175.168 176.600 -0.023 0.000 0.977 95 K CA -0.763 55.509 56.287 -0.024 0.000 0.900 95 K CB 1.477 33.962 32.500 -0.026 0.000 1.060 95 K HN 0.279 nan 8.250 nan 0.000 0.449 96 L N 2.542 123.745 121.223 -0.033 0.000 2.481 96 L HA 0.306 4.646 4.340 0.000 0.000 0.255 96 L C -1.298 175.547 176.870 -0.041 0.000 1.192 96 L CA 0.044 54.867 54.840 -0.027 0.000 0.924 96 L CB 1.146 43.187 42.059 -0.031 0.000 1.179 96 L HN 0.579 nan 8.230 nan 0.000 0.491 97 S N 1.380 117.044 115.700 -0.059 0.000 2.601 97 S HA 0.669 5.139 4.470 0.000 0.000 0.271 97 S C -0.343 174.168 174.600 -0.149 0.000 1.305 97 S CA -0.475 57.669 58.200 -0.094 0.000 1.022 97 S CB 1.546 64.690 63.200 -0.094 0.000 0.940 97 S HN 0.297 nan 8.310 nan 0.000 0.525 98 V N 2.730 122.509 119.914 -0.226 0.000 2.349 98 V HA 0.408 4.528 4.120 0.000 0.000 0.284 98 V C 0.094 175.961 176.094 -0.380 0.000 1.014 98 V CA -0.556 61.458 62.300 -0.476 0.000 0.826 98 V CB 1.166 32.668 31.823 -0.535 0.000 1.009 98 V HN 0.834 nan 8.190 nan 0.000 0.431 99 T N 3.647 117.987 114.554 -0.356 0.000 2.918 99 T HA 0.782 5.133 4.350 0.000 0.000 0.286 99 T C -0.127 174.461 174.700 -0.187 0.000 1.026 99 T CA -0.366 61.602 62.100 -0.219 0.000 1.031 99 T CB 1.796 70.576 68.868 -0.147 0.000 1.046 99 T HN 0.931 nan 8.240 nan 0.000 0.479 100 S N 1.000 116.633 115.700 -0.111 0.000 2.570 100 S HA 0.809 5.279 4.470 0.000 0.000 0.270 100 S C -0.543 174.048 174.600 -0.015 0.000 1.149 100 S CA -0.692 57.480 58.200 -0.047 0.000 0.837 100 S CB 2.143 65.313 63.200 -0.050 0.000 1.124 100 S HN 0.676 nan 8.310 nan 0.000 0.465 101 T N -0.445 114.132 114.554 0.039 0.000 2.633 101 T HA 0.508 4.858 4.350 0.000 0.000 0.262 101 T C 0.799 175.524 174.700 0.041 0.000 0.920 101 T CA -0.624 61.508 62.100 0.054 0.000 1.062 101 T CB 1.241 70.188 68.868 0.131 0.000 1.390 101 T HN 0.636 nan 8.240 nan 0.000 0.549 102 R N -0.084 120.434 120.500 0.030 0.000 2.193 102 R HA 0.117 4.457 4.340 0.000 0.000 0.213 102 R C 1.758 178.052 176.300 -0.010 0.000 1.055 102 R CA 1.034 57.082 56.100 -0.086 0.000 0.995 102 R CB 0.171 30.282 30.300 -0.314 0.000 0.893 102 R HN 0.516 nan 8.270 nan 0.000 0.459 103 E N -0.734 119.544 120.200 0.129 0.000 2.290 103 E HA 0.118 4.468 4.350 0.000 0.000 0.199 103 E C 0.126 176.900 176.600 0.291 0.000 0.912 103 E CA 0.348 56.873 56.400 0.208 0.000 0.924 103 E CB 0.407 30.253 29.700 0.243 0.000 0.901 103 E HN 0.146 nan 8.360 nan 0.000 0.487 104 N N -0.125 118.710 118.700 0.226 0.000 2.629 104 N HA 0.400 5.141 4.740 0.000 0.000 0.279 104 N C -0.911 174.700 175.510 0.167 0.000 1.344 104 N CA -0.479 52.696 53.050 0.209 0.000 0.789 104 N CB 1.943 40.557 38.487 0.211 0.000 1.508 104 N HN -0.111 nan 8.380 nan 0.000 0.516 105 M N 1.351 121.038 119.600 0.146 0.000 2.032 105 M HA 0.319 4.799 4.480 0.000 0.000 0.221 105 M C -1.141 175.130 176.300 -0.048 0.000 0.941 105 M CA -0.500 54.832 55.300 0.055 0.000 0.895 105 M CB 0.852 33.531 32.600 0.132 0.000 2.146 105 M HN 0.648 nan 8.290 nan 0.000 0.366 106 A N 2.622 125.348 122.820 -0.157 0.000 2.507 106 A HA 0.112 4.432 4.320 0.000 0.000 0.281 106 A C -1.099 176.204 177.584 -0.469 0.000 1.154 106 A CA 0.612 52.328 52.037 -0.535 0.000 0.828 106 A CB -0.651 17.940 19.000 -0.681 0.000 1.069 106 A HN 0.684 nan 8.150 nan 0.000 0.522 107 Y N 2.468 122.511 120.300 -0.427 0.000 2.595 107 Y HA 0.238 4.788 4.550 0.000 0.000 0.347 107 Y C 1.252 176.977 175.900 -0.292 0.000 1.025 107 Y CA 0.445 58.371 58.100 -0.289 0.000 1.295 107 Y CB 0.902 39.223 38.460 -0.233 0.000 1.147 107 Y HN 0.608 nan 8.280 nan 0.000 0.515 108 T N 3.005 117.467 114.554 -0.154 0.000 2.909 108 T HA 0.481 4.831 4.350 0.000 0.000 0.289 108 T C -0.971 173.699 174.700 -0.051 0.000 1.005 108 T CA -0.426 61.598 62.100 -0.126 0.000 1.084 108 T CB 0.851 69.637 68.868 -0.136 0.000 0.975 108 T HN 0.317 nan 8.240 nan 0.000 0.509 109 V N 4.223 124.116 119.914 -0.035 0.000 2.509 109 V HA 0.426 4.546 4.120 0.000 0.000 0.289 109 V C -0.730 175.357 176.094 -0.012 0.000 1.026 109 V CA -0.599 61.693 62.300 -0.014 0.000 0.872 109 V CB 1.483 33.305 31.823 -0.002 0.000 1.017 109 V HN 0.831 nan 8.190 nan 0.000 0.436 110 E N 5.606 125.798 120.200 -0.013 0.000 2.195 110 E HA 0.760 5.110 4.350 0.000 0.000 0.271 110 E C -0.858 175.736 176.600 -0.010 0.000 0.923 110 E CA -0.121 56.271 56.400 -0.014 0.000 0.790 110 E CB 2.007 31.696 29.700 -0.018 0.000 1.155 110 E HN 0.961 nan 8.360 nan 0.000 0.402 111 C N 2.111 121.403 119.300 -0.013 0.000 3.253 111 C HA 0.504 4.964 4.460 0.000 0.000 0.362 111 C C -1.034 173.945 174.990 -0.018 0.000 1.487 111 C CA -1.059 57.953 59.018 -0.011 0.000 1.179 111 C CB 0.053 27.792 27.740 -0.001 0.000 1.660 111 C HN 0.690 nan 8.230 nan 0.000 0.438 112 L N 2.116 123.329 121.223 -0.017 0.000 2.418 112 L HA 0.364 4.704 4.340 0.000 0.000 0.265 112 L C 1.912 178.768 176.870 -0.023 0.000 1.143 112 L CA -0.302 54.525 54.840 -0.022 0.000 0.809 112 L CB 0.643 42.691 42.059 -0.018 0.000 1.124 112 L HN 0.839 nan 8.230 nan 0.000 0.456 113 R N 0.964 121.447 120.500 -0.028 0.000 2.140 113 R HA -0.206 4.134 4.340 0.000 0.000 0.250 113 R C 1.031 177.318 176.300 -0.021 0.000 1.150 113 R CA 1.773 57.857 56.100 -0.027 0.000 0.966 113 R CB -0.086 30.197 30.300 -0.029 0.000 0.869 113 R HN 0.668 nan 8.270 nan 0.000 0.445 114 D N -0.088 120.301 120.400 -0.018 0.000 2.348 114 D HA -0.067 4.573 4.640 0.000 0.000 0.216 114 D C 0.472 176.760 176.300 -0.020 0.000 0.970 114 D CA 0.867 54.857 54.000 -0.016 0.000 0.889 114 D CB 0.064 40.856 40.800 -0.013 0.000 0.912 114 D HN 0.241 nan 8.370 nan 0.000 0.524 115 D N -0.512 119.875 120.400 -0.021 0.000 2.469 115 D HA 0.034 4.674 4.640 0.000 0.000 0.215 115 D C 2.012 178.293 176.300 -0.032 0.000 1.154 115 D CA 0.032 54.017 54.000 -0.025 0.000 0.832 115 D CB 1.284 42.076 40.800 -0.014 0.000 1.008 115 D HN -0.014 nan 8.370 nan 0.000 0.506 116 V N 0.805 120.701 119.914 -0.030 0.000 2.380 116 V HA -0.270 3.850 4.120 0.000 0.000 0.251 116 V C 1.793 177.855 176.094 -0.053 0.000 1.063 116 V CA 1.850 64.130 62.300 -0.033 0.000 1.055 116 V CB -0.431 31.376 31.823 -0.027 0.000 0.657 116 V HN 0.058 nan 8.190 nan 0.000 0.455 117 D N -0.354 120.009 120.400 -0.061 0.000 2.194 117 D HA -0.012 4.628 4.640 0.000 0.000 0.204 117 D C 1.973 178.192 176.300 -0.135 0.000 0.964 117 D CA 0.834 54.784 54.000 -0.083 0.000 0.846 117 D CB -0.093 40.670 40.800 -0.062 0.000 0.962 117 D HN 0.431 nan 8.370 nan 0.000 0.490 118 I N -0.066 120.423 120.570 -0.134 0.000 2.286 118 I HA -0.156 4.014 4.170 0.000 0.000 0.245 118 I C 1.963 177.909 176.117 -0.286 0.000 1.104 118 I CA 0.495 61.662 61.300 -0.221 0.000 1.397 118 I CB -0.040 37.865 38.000 -0.158 0.000 1.072 118 I HN 0.034 nan 8.210 nan 0.000 0.417 119 L N 0.004 121.160 121.223 -0.112 0.000 2.083 119 L HA -0.170 4.170 4.340 0.000 0.000 0.209 119 L C 2.437 179.288 176.870 -0.032 0.000 1.083 119 L CA 1.782 56.616 54.840 -0.010 0.000 0.752 119 L CB -0.471 41.602 42.059 0.024 0.000 0.899 119 L HN 0.256 nan 8.230 nan 0.000 0.433 120 M N -1.273 118.272 119.600 -0.093 0.000 2.319 120 M HA -0.185 4.295 4.480 0.000 0.000 0.265 120 M C 2.074 178.261 176.300 -0.188 0.000 1.068 120 M CA 1.483 56.715 55.300 -0.113 0.000 1.118 120 M CB -0.150 32.380 32.600 -0.117 0.000 1.395 120 M HN 0.305 nan 8.290 nan 0.000 0.435 121 E N -0.509 119.542 120.200 -0.249 0.000 2.204 121 E HA -0.159 4.191 4.350 0.000 0.000 0.194 121 E C 1.389 177.882 176.600 -0.178 0.000 0.989 121 E CA 0.943 57.157 56.400 -0.310 0.000 0.824 121 E CB 0.021 29.508 29.700 -0.354 0.000 0.756 121 E HN 0.520 nan 8.360 nan 0.000 0.477 122 F N 0.539 120.418 119.950 -0.119 0.000 2.098 122 F HA -0.095 4.432 4.527 -0.000 0.000 0.294 122 F C 2.172 177.907 175.800 -0.108 0.000 1.107 122 F CA 0.608 58.552 58.000 -0.093 0.000 1.234 122 F CB -1.018 37.942 39.000 -0.067 0.000 1.002 122 F HN 0.117 nan 8.300 nan 0.000 0.472 123 L N -0.051 121.223 121.223 0.085 0.000 2.129 123 L HA -0.211 4.129 4.340 0.000 0.000 0.212 123 L C 1.977 178.793 176.870 -0.091 0.000 1.087 123 L CA 1.701 56.528 54.840 -0.022 0.000 0.757 123 L CB -0.730 41.302 42.059 -0.045 0.000 0.896 123 L HN 0.125 nan 8.230 nan 0.000 0.434 124 L N -1.229 119.922 121.223 -0.120 0.000 2.179 124 L HA -0.112 4.228 4.340 0.000 0.000 0.208 124 L C 2.018 178.841 176.870 -0.079 0.000 1.096 124 L CA 1.067 55.815 54.840 -0.155 0.000 0.779 124 L CB -0.472 41.377 42.059 -0.351 0.000 0.922 124 L HN 0.322 nan 8.230 nan 0.000 0.443 125 N N -0.691 117.989 118.700 -0.034 0.000 2.250 125 N HA -0.111 4.629 4.740 0.000 0.000 0.181 125 N C 1.781 177.280 175.510 -0.018 0.000 1.017 125 N CA 0.762 53.817 53.050 0.007 0.000 0.866 125 N CB -0.005 38.525 38.487 0.072 0.000 0.985 125 N HN -0.011 nan 8.380 nan 0.000 0.429 126 V N -0.614 119.280 119.914 -0.032 0.000 2.407 126 V HA -0.160 3.960 4.120 0.000 0.000 0.248 126 V C 2.023 178.060 176.094 -0.096 0.000 1.055 126 V CA 1.728 63.988 62.300 -0.067 0.000 1.049 126 V CB -0.618 31.169 31.823 -0.060 0.000 0.662 126 V HN 0.351 nan 8.190 nan 0.000 0.455 127 T N -1.803 112.663 114.554 -0.147 0.000 3.037 127 T HA 0.006 4.356 4.350 0.000 0.000 0.251 127 T C 1.707 176.418 174.700 0.019 0.000 1.079 127 T CA 1.402 63.399 62.100 -0.171 0.000 1.067 127 T CB 0.075 68.675 68.868 -0.446 0.000 0.948 127 T HN 0.536 nan 8.240 nan 0.000 0.496 128 T N 0.133 114.695 114.554 0.013 0.000 2.954 128 T HA 0.483 4.833 4.350 0.000 0.000 0.252 128 T C 0.833 175.566 174.700 0.056 0.000 0.983 128 T CA 0.297 62.427 62.100 0.050 0.000 0.941 128 T CB 0.582 69.482 68.868 0.054 0.000 1.141 128 T HN 0.186 nan 8.240 nan 0.000 0.500 129 A N 2.029 124.871 122.820 0.036 0.000 2.795 129 A HA 0.578 4.898 4.320 0.000 0.000 0.282 129 A C -2.881 174.698 177.584 -0.008 0.000 0.964 129 A CA -1.050 51.009 52.037 0.036 0.000 1.045 129 A CB 0.145 19.174 19.000 0.048 0.000 1.174 129 A HN 0.136 nan 8.150 nan 0.000 0.493 130 P HA 0.062 nan 4.420 nan 0.000 0.265 130 P C -0.240 176.941 177.300 -0.199 0.000 1.187 130 P CA 0.745 63.712 63.100 -0.220 0.000 0.766 130 P CB 0.476 32.060 31.700 -0.193 0.000 0.820 131 E N 2.522 122.531 120.200 -0.318 0.000 2.346 131 E HA 0.199 4.549 4.350 0.000 0.000 0.239 131 E C -0.794 175.651 176.600 -0.257 0.000 0.943 131 E CA -0.515 55.785 56.400 -0.166 0.000 0.751 131 E CB 0.186 29.810 29.700 -0.126 0.000 1.241 131 E HN 0.332 nan 8.360 nan 0.000 0.423 132 F N 2.301 122.212 119.950 -0.064 0.000 2.462 132 F HA 0.197 4.724 4.527 -0.000 0.000 0.360 132 F C 0.989 176.643 175.800 -0.244 0.000 1.134 132 F CA -0.181 57.744 58.000 -0.125 0.000 1.148 132 F CB 0.234 39.195 39.000 -0.065 0.000 1.147 132 F HN 0.064 nan 8.300 nan 0.000 0.550 133 R N 2.947 123.245 120.500 -0.336 0.000 2.368 133 R HA 0.267 4.607 4.340 0.000 0.000 0.302 133 R C 1.750 177.696 176.300 -0.591 0.000 1.002 133 R CA -0.817 54.857 56.100 -0.711 0.000 0.929 133 R CB 1.195 30.587 30.300 -1.514 0.000 1.073 133 R HN 0.632 nan 8.270 nan 0.000 0.464 134 R N 2.974 123.265 120.500 -0.348 0.000 2.113 134 R HA -0.214 4.126 4.340 0.000 0.000 0.244 134 R C 1.293 177.601 176.300 0.014 0.000 1.142 134 R CA 2.506 58.570 56.100 -0.060 0.000 0.953 134 R CB -0.336 30.005 30.300 0.068 0.000 0.860 134 R HN 0.863 nan 8.270 nan 0.000 0.438 135 W N 0.770 122.093 121.300 0.038 0.000 2.467 135 W HA 0.132 4.792 4.660 0.000 0.000 0.275 135 W C 1.368 177.908 176.519 0.036 0.000 1.239 135 W CA 0.825 58.189 57.345 0.032 0.000 1.266 135 W CB -0.203 29.271 29.460 0.024 0.000 1.112 135 W HN 0.093 nan 8.180 nan 0.000 0.576 136 E N 0.587 120.566 120.200 -0.368 0.000 2.170 136 E HA -0.084 4.266 4.350 0.000 0.000 0.191 136 E C 2.170 178.742 176.600 -0.046 0.000 0.981 136 E CA 0.999 57.312 56.400 -0.144 0.000 0.830 136 E CB 0.001 29.510 29.700 -0.318 0.000 0.775 136 E HN 0.193 nan 8.360 nan 0.000 0.470 137 V N 0.871 120.746 119.914 -0.064 0.000 2.788 137 V HA -0.070 4.050 4.120 0.000 0.000 0.251 137 V C 2.061 178.174 176.094 0.031 0.000 1.068 137 V CA 1.345 63.658 62.300 0.021 0.000 1.090 137 V CB 0.061 31.905 31.823 0.036 0.000 0.710 137 V HN 0.249 nan 8.190 nan 0.000 0.467 138 A N 0.322 123.166 122.820 0.039 0.000 1.873 138 A HA -0.056 4.264 4.320 0.000 0.000 0.215 138 A C 2.428 180.048 177.584 0.060 0.000 1.186 138 A CA 1.709 53.779 52.037 0.054 0.000 0.616 138 A CB -0.805 18.242 19.000 0.078 0.000 0.823 138 A HN 0.540 nan 8.150 nan 0.000 0.442 139 A N -0.705 122.162 122.820 0.078 0.000 2.032 139 A HA -0.106 4.214 4.320 0.000 0.000 0.221 139 A C 2.097 179.714 177.584 0.054 0.000 1.165 139 A CA 1.912 53.995 52.037 0.076 0.000 0.645 139 A CB -0.493 18.568 19.000 0.101 0.000 0.807 139 A HN 0.704 nan 8.150 nan 0.000 0.453 140 L N -1.283 119.968 121.223 0.048 0.000 2.127 140 L HA -0.046 4.294 4.340 0.000 0.000 0.203 140 L C 2.223 179.116 176.870 0.038 0.000 1.080 140 L CA 1.693 56.557 54.840 0.040 0.000 0.768 140 L CB -0.700 41.384 42.059 0.043 0.000 0.924 140 L HN 0.313 nan 8.230 nan 0.000 0.444 141 Q N 0.687 120.508 119.800 0.035 0.000 2.094 141 Q HA -0.258 4.082 4.340 0.000 0.000 0.217 141 Q C -0.139 175.880 176.000 0.032 0.000 1.046 141 Q CA 2.958 58.778 55.803 0.029 0.000 0.911 141 Q CB -2.539 26.212 28.738 0.022 0.000 1.038 141 Q HN 0.419 nan 8.270 nan 0.000 0.422 142 P HA -0.214 nan 4.420 nan 0.000 0.216 142 P C 1.417 178.737 177.300 0.033 0.000 1.157 142 P CA 2.036 65.153 63.100 0.028 0.000 0.880 142 P CB -0.167 31.549 31.700 0.026 0.000 0.791 143 Q N 0.105 119.928 119.800 0.037 0.000 2.217 143 Q HA -0.176 4.164 4.340 0.000 0.000 0.209 143 Q C 2.220 178.263 176.000 0.071 0.000 0.988 143 Q CA 1.548 57.376 55.803 0.042 0.000 0.878 143 Q CB -1.327 27.430 28.738 0.032 0.000 0.909 143 Q HN 0.243 nan 8.270 nan 0.000 0.424 144 L N -0.787 120.493 121.223 0.095 0.000 2.046 144 L HA -0.196 4.144 4.340 0.000 0.000 0.208 144 L C 2.608 179.542 176.870 0.108 0.000 1.077 144 L CA 1.625 56.569 54.840 0.173 0.000 0.747 144 L CB -0.360 41.775 42.059 0.127 0.000 0.896 144 L HN 0.173 nan 8.230 nan 0.000 0.432 145 R N 0.147 120.674 120.500 0.045 0.000 2.070 145 R HA -0.131 4.209 4.340 0.000 0.000 0.232 145 R C 2.346 178.655 176.300 0.016 0.000 1.138 145 R CA 1.522 57.630 56.100 0.013 0.000 0.936 145 R CB -0.298 30.004 30.300 0.003 0.000 0.839 145 R HN 0.209 nan 8.270 nan 0.000 0.429 146 I N 0.914 121.498 120.570 0.024 0.000 2.113 146 I HA -0.379 3.791 4.170 0.000 0.000 0.242 146 I C 2.109 178.241 176.117 0.026 0.000 1.064 146 I CA 1.652 62.963 61.300 0.019 0.000 1.320 146 I CB -0.626 37.386 38.000 0.021 0.000 1.028 146 I HN 0.343 nan 8.210 nan 0.000 0.406 147 D N 1.166 121.606 120.400 0.067 0.000 2.108 147 D HA -0.250 4.390 4.640 0.000 0.000 0.190 147 D C 2.147 178.488 176.300 0.070 0.000 0.995 147 D CA 1.654 55.717 54.000 0.105 0.000 0.834 147 D CB -0.192 40.726 40.800 0.197 0.000 0.967 147 D HN 0.116 nan 8.370 nan 0.000 0.446 148 K N -0.177 120.264 120.400 0.068 0.000 2.127 148 K HA -0.214 4.106 4.320 0.000 0.000 0.208 148 K C 1.987 178.483 176.600 -0.174 0.000 1.047 148 K CA 1.452 57.663 56.287 -0.127 0.000 0.927 148 K CB -0.235 32.193 32.500 -0.119 0.000 0.716 148 K HN 0.148 nan 8.250 nan 0.000 0.450 149 A N 0.524 123.290 122.820 -0.089 0.000 1.933 149 A HA -0.131 4.189 4.320 0.000 0.000 0.218 149 A C 2.203 179.740 177.584 -0.077 0.000 1.175 149 A CA 1.878 53.869 52.037 -0.077 0.000 0.628 149 A CB -0.642 18.333 19.000 -0.042 0.000 0.814 149 A HN 0.305 nan 8.150 nan 0.000 0.444 150 V N -2.749 117.128 119.914 -0.062 0.000 2.346 150 V HA 0.114 4.234 4.120 0.000 0.000 0.244 150 V C 2.539 178.589 176.094 -0.075 0.000 1.037 150 V CA 1.510 63.781 62.300 -0.049 0.000 1.029 150 V CB -1.383 30.429 31.823 -0.019 0.000 0.663 150 V HN 0.466 nan 8.190 nan 0.000 0.454 151 A N 0.994 123.741 122.820 -0.121 0.000 1.940 151 A HA 0.019 4.339 4.320 0.000 0.000 0.219 151 A C 2.052 179.508 177.584 -0.214 0.000 1.176 151 A CA 2.040 53.967 52.037 -0.185 0.000 0.631 151 A CB -0.878 17.868 19.000 -0.423 0.000 0.814 151 A HN 0.640 nan 8.150 nan 0.000 0.446 152 L N -0.316 120.768 121.223 -0.231 0.000 2.682 152 L HA 0.021 4.361 4.340 0.000 0.000 0.240 152 L C 1.829 178.637 176.870 -0.103 0.000 1.178 152 L CA 0.044 54.789 54.840 -0.158 0.000 0.970 152 L CB -0.317 41.656 42.059 -0.143 0.000 1.179 152 L HN 0.475 nan 8.230 nan 0.000 0.435 153 Q N -0.394 119.357 119.800 -0.082 0.000 2.398 153 Q HA 0.086 4.426 4.340 0.000 0.000 0.204 153 Q C 0.068 176.043 176.000 -0.042 0.000 0.932 153 Q CA 0.239 56.008 55.803 -0.057 0.000 0.916 153 Q CB 0.439 29.152 28.738 -0.040 0.000 1.024 153 Q HN 0.465 nan 8.270 nan 0.000 0.504 154 N N 1.367 120.045 118.700 -0.037 0.000 2.439 154 N HA 0.113 4.853 4.740 0.000 0.000 0.249 154 N C -2.107 173.375 175.510 -0.046 0.000 1.003 154 N CA -1.431 51.608 53.050 -0.018 0.000 0.942 154 N CB 1.369 39.860 38.487 0.007 0.000 1.115 154 N HN -0.094 nan 8.380 nan 0.000 0.505 155 P HA -0.295 nan 4.420 nan 0.000 0.218 155 P C 1.483 178.707 177.300 -0.127 0.000 1.154 155 P CA 1.764 64.703 63.100 -0.269 0.000 0.872 155 P CB 0.272 31.508 31.700 -0.773 0.000 0.790 156 Q N -0.254 119.546 119.800 0.000 0.000 2.103 156 Q HA -0.291 4.049 4.340 0.000 0.000 0.213 156 Q C 2.123 178.176 176.000 0.088 0.000 1.008 156 Q CA 2.201 58.065 55.803 0.102 0.000 0.879 156 Q CB -1.585 27.167 28.738 0.023 0.000 0.946 156 Q HN 0.170 nan 8.270 nan 0.000 0.413 157 A N 1.243 124.098 122.820 0.058 0.000 1.883 157 A HA -0.258 4.062 4.320 0.000 0.000 0.217 157 A C 2.146 179.775 177.584 0.074 0.000 1.186 157 A CA 1.736 53.818 52.037 0.075 0.000 0.624 157 A CB -1.060 17.965 19.000 0.042 0.000 0.822 157 A HN 0.635 nan 8.150 nan 0.000 0.444 158 H N -0.712 118.342 119.070 -0.026 0.000 2.363 158 H HA -0.036 4.520 4.556 0.000 0.000 0.301 158 H C 2.209 177.537 175.328 -0.000 0.000 1.074 158 H CA 1.765 57.798 56.048 -0.025 0.000 1.354 158 H CB 0.072 29.797 29.762 -0.062 0.000 1.397 158 H HN 0.241 nan 8.280 nan 0.000 0.516 159 V N 1.123 121.077 119.914 0.067 0.000 2.233 159 V HA -0.265 3.855 4.120 0.000 0.000 0.247 159 V C 2.711 178.816 176.094 0.019 0.000 1.050 159 V CA 1.882 64.197 62.300 0.024 0.000 1.010 159 V CB -0.546 31.304 31.823 0.046 0.000 0.637 159 V HN 0.256 nan 8.190 nan 0.000 0.444 160 I N -0.297 120.327 120.570 0.089 0.000 2.264 160 I HA -0.219 3.951 4.170 0.000 0.000 0.248 160 I C 2.545 178.741 176.117 0.131 0.000 1.111 160 I CA 1.530 62.894 61.300 0.106 0.000 1.382 160 I CB -0.394 37.685 38.000 0.132 0.000 1.060 160 I HN 0.352 nan 8.210 nan 0.000 0.418 161 E N 0.250 120.471 120.200 0.035 0.000 2.028 161 E HA -0.195 4.155 4.350 0.000 0.000 0.191 161 E C 1.950 178.543 176.600 -0.012 0.000 0.988 161 E CA 1.310 57.703 56.400 -0.010 0.000 0.799 161 E CB -0.488 29.160 29.700 -0.087 0.000 0.755 161 E HN 0.492 nan 8.360 nan 0.000 0.447 162 N N 0.921 119.548 118.700 -0.121 0.000 2.272 162 N HA -0.151 4.589 4.740 0.000 0.000 0.185 162 N C 1.661 177.170 175.510 -0.001 0.000 1.014 162 N CA 0.415 53.410 53.050 -0.092 0.000 0.870 162 N CB -0.198 38.216 38.487 -0.121 0.000 0.975 162 N HN 0.019 nan 8.380 nan 0.000 0.433 163 L N 0.750 121.991 121.223 0.031 0.000 1.976 163 L HA -0.168 4.172 4.340 0.000 0.000 0.209 163 L C 1.959 178.894 176.870 0.109 0.000 1.071 163 L CA 1.857 56.719 54.840 0.036 0.000 0.746 163 L CB -0.954 41.112 42.059 0.012 0.000 0.890 163 L HN 0.379 nan 8.230 nan 0.000 0.432 164 H N -0.829 118.307 119.070 0.110 0.000 2.319 164 H HA -0.183 4.373 4.556 0.000 0.000 0.297 164 H C 1.999 177.437 175.328 0.185 0.000 1.097 164 H CA 1.455 57.627 56.048 0.207 0.000 1.285 164 H CB -0.139 29.706 29.762 0.138 0.000 1.368 164 H HN 0.524 nan 8.280 nan 0.000 0.495 165 A N 0.997 123.934 122.820 0.195 0.000 1.978 165 A HA -0.101 4.219 4.320 0.000 0.000 0.220 165 A C 2.619 180.261 177.584 0.097 0.000 1.170 165 A CA 1.587 53.693 52.037 0.114 0.000 0.636 165 A CB -0.572 18.459 19.000 0.050 0.000 0.810 165 A HN 0.473 nan 8.150 nan 0.000 0.448 166 A N -0.544 122.317 122.820 0.068 0.000 1.878 166 A HA 0.386 4.706 4.320 0.000 0.000 0.213 166 A C 2.419 180.012 177.584 0.014 0.000 1.192 166 A CA 1.449 53.512 52.037 0.043 0.000 0.619 166 A CB -0.877 18.113 19.000 -0.017 0.000 0.837 166 A HN 0.994 nan 8.150 nan 0.000 0.446 167 A N -1.775 121.001 122.820 -0.074 0.000 2.066 167 A HA 0.262 4.582 4.320 0.000 0.000 0.218 167 A C 0.584 177.932 177.584 -0.394 0.000 1.157 167 A CA 0.562 52.415 52.037 -0.306 0.000 0.670 167 A CB -0.343 18.535 19.000 -0.204 0.000 0.804 167 A HN 0.497 nan 8.150 nan 0.000 0.453 168 Y N -2.562 117.759 120.300 0.035 0.000 2.549 168 Y HA 0.591 5.141 4.550 0.000 0.000 0.339 168 Y C 1.223 177.121 175.900 -0.004 0.000 1.053 168 Y CA -0.857 57.263 58.100 0.033 0.000 1.105 168 Y CB 1.540 40.019 38.460 0.030 0.000 1.258 168 Y HN -0.001 nan 8.280 nan 0.000 0.478 169 R N 0.417 120.986 120.500 0.114 0.000 2.195 169 R HA 0.002 4.342 4.340 0.000 0.000 0.197 169 R C 1.026 177.314 176.300 -0.019 0.000 0.990 169 R CA 1.086 57.150 56.100 -0.061 0.000 1.048 169 R CB 0.249 30.475 30.300 -0.124 0.000 0.997 169 R HN 0.887 nan 8.270 nan 0.000 0.502 170 N N -1.074 117.644 118.700 0.029 0.000 2.782 170 N HA 0.094 4.834 4.740 0.000 0.000 0.244 170 N C 1.035 176.531 175.510 -0.024 0.000 1.029 170 N CA 0.812 53.861 53.050 -0.002 0.000 0.999 170 N CB -0.081 38.405 38.487 -0.001 0.000 1.634 170 N HN 0.071 nan 8.380 nan 0.000 0.478 171 A N 1.158 123.946 122.820 -0.052 0.000 2.010 171 A HA 0.433 4.753 4.320 0.000 0.000 0.210 171 A C 2.052 179.508 177.584 -0.213 0.000 1.479 171 A CA 0.056 52.013 52.037 -0.134 0.000 0.748 171 A CB -0.625 18.274 19.000 -0.167 0.000 1.125 171 A HN 0.116 nan 8.150 nan 0.000 0.522 172 L N 0.326 121.338 121.223 -0.350 0.000 2.549 172 L HA -0.080 4.260 4.340 0.000 0.000 0.229 172 L C 2.619 179.342 176.870 -0.244 0.000 1.158 172 L CA 0.793 55.331 54.840 -0.504 0.000 0.842 172 L CB -0.378 40.996 42.059 -1.143 0.000 0.952 172 L HN 0.525 nan 8.230 nan 0.000 0.452 173 A N 0.501 123.284 122.820 -0.062 0.000 2.021 173 A HA -0.088 4.232 4.320 0.000 0.000 0.216 173 A C 0.992 178.594 177.584 0.029 0.000 1.163 173 A CA 0.101 52.198 52.037 0.099 0.000 0.676 173 A CB -0.643 18.439 19.000 0.137 0.000 0.818 173 A HN 0.656 nan 8.150 nan 0.000 0.453 174 N N 0.928 119.609 118.700 -0.032 0.000 2.447 174 N HA 0.184 4.924 4.740 0.000 0.000 0.263 174 N C 0.357 175.825 175.510 -0.071 0.000 1.226 174 N CA 0.388 53.412 53.050 -0.044 0.000 0.906 174 N CB 0.591 39.045 38.487 -0.054 0.000 1.060 174 N HN 0.306 nan 8.380 nan 0.000 0.468 175 S N 3.029 118.691 115.700 -0.063 0.000 2.625 175 S HA 0.052 4.522 4.470 0.000 0.000 0.258 175 S C 1.022 175.535 174.600 -0.144 0.000 1.256 175 S CA -0.588 57.559 58.200 -0.087 0.000 0.983 175 S CB 0.368 63.545 63.200 -0.039 0.000 1.032 175 S HN 0.649 nan 8.310 nan 0.000 0.572 176 L N -0.830 120.259 121.223 -0.224 0.000 2.354 176 L HA 0.272 4.612 4.340 0.000 0.000 0.212 176 L C -0.281 176.322 176.870 -0.445 0.000 1.091 176 L CA 0.142 54.754 54.840 -0.380 0.000 0.828 176 L CB -0.141 41.553 42.059 -0.609 0.000 0.973 176 L HN 0.586 nan 8.230 nan 0.000 0.461 177 Y N -0.960 119.266 120.300 -0.123 0.000 2.326 177 Y HA 0.197 4.747 4.550 0.000 0.000 0.337 177 Y C 0.623 176.283 175.900 -0.400 0.000 1.023 177 Y CA -1.221 56.665 58.100 -0.356 0.000 1.143 177 Y CB 0.722 39.036 38.460 -0.244 0.000 1.183 177 Y HN -0.104 nan 8.280 nan 0.000 0.485 178 C N 6.453 125.454 119.300 -0.499 0.000 2.494 178 C HA 0.017 4.477 4.460 0.000 0.000 0.399 178 C C -1.900 172.958 174.990 -0.220 0.000 1.388 178 C CA -1.026 57.811 59.018 -0.302 0.000 1.657 178 C CB -0.488 27.082 27.740 -0.284 0.000 2.585 178 C HN 0.558 nan 8.230 nan 0.000 0.601 179 P HA 0.128 nan 4.420 nan 0.000 0.271 179 P C 0.394 177.547 177.300 -0.245 0.000 1.216 179 P CA 0.239 63.198 63.100 -0.235 0.000 0.776 179 P CB 0.457 31.921 31.700 -0.394 0.000 0.881 180 D N 1.699 122.057 120.400 -0.070 0.000 2.158 180 D HA -0.207 4.433 4.640 0.000 0.000 0.197 180 D C 1.381 177.676 176.300 -0.010 0.000 0.995 180 D CA 1.870 55.856 54.000 -0.023 0.000 0.846 180 D CB -0.488 40.328 40.800 0.027 0.000 0.941 180 D HN 0.636 nan 8.370 nan 0.000 0.456 181 Y N -0.159 120.131 120.300 -0.017 0.000 2.477 181 Y HA 0.332 4.882 4.550 -0.000 0.000 0.303 181 Y C 1.813 177.702 175.900 -0.018 0.000 1.202 181 Y CA -0.183 57.908 58.100 -0.015 0.000 1.282 181 Y CB -0.094 38.358 38.460 -0.013 0.000 1.071 181 Y HN -0.204 nan 8.280 nan 0.000 0.510 182 R N -0.216 120.029 120.500 -0.426 0.000 2.513 182 R HA 0.281 4.621 4.340 0.000 0.000 0.245 182 R C 1.099 177.287 176.300 -0.187 0.000 0.908 182 R CA 0.403 56.275 56.100 -0.380 0.000 1.023 182 R CB -0.382 29.500 30.300 -0.696 0.000 1.338 182 R HN 0.345 nan 8.270 nan 0.000 0.575 183 I N 0.883 121.361 120.570 -0.154 0.000 3.016 183 I HA -0.351 3.819 4.170 0.000 0.000 0.191 183 I C 2.112 178.203 176.117 -0.044 0.000 0.870 183 I CA 2.343 63.595 61.300 -0.079 0.000 1.180 183 I CB -0.628 37.342 38.000 -0.051 0.000 0.901 183 I HN 0.443 nan 8.210 nan 0.000 0.345 184 G N -0.447 108.341 108.800 -0.020 0.000 2.615 184 G HA2 -0.261 3.699 3.960 0.000 0.000 0.213 184 G HA3 -0.261 3.699 3.960 0.000 0.000 0.213 184 G C 1.502 176.397 174.900 -0.009 0.000 1.135 184 G CA 0.826 45.923 45.100 -0.005 0.000 0.772 184 G HN 0.416 nan 8.290 nan 0.000 0.542 185 K N 0.204 120.590 120.400 -0.024 0.000 2.393 185 K HA 0.150 4.470 4.320 0.000 0.000 0.193 185 K C 0.571 177.149 176.600 -0.037 0.000 1.026 185 K CA -0.147 56.129 56.287 -0.019 0.000 1.064 185 K CB 0.321 32.817 32.500 -0.006 0.000 0.833 185 K HN 0.084 nan 8.250 nan 0.000 0.521 186 V N 3.434 123.315 119.914 -0.056 0.000 2.242 186 V HA 0.008 4.128 4.120 0.000 0.000 0.242 186 V C 0.427 176.475 176.094 -0.077 0.000 1.240 186 V CA -0.220 62.031 62.300 -0.081 0.000 1.211 186 V CB -1.022 30.743 31.823 -0.098 0.000 1.338 186 V HN 0.307 nan 8.190 nan 0.000 0.499 187 T N 2.938 117.453 114.554 -0.066 0.000 2.860 187 T HA 0.229 4.579 4.350 0.000 0.000 0.299 187 T C -1.223 173.424 174.700 -0.088 0.000 1.045 187 T CA -1.344 60.723 62.100 -0.055 0.000 1.071 187 T CB 1.257 70.104 68.868 -0.035 0.000 0.985 187 T HN 0.348 nan 8.240 nan 0.000 0.537 188 P HA -0.152 nan 4.420 nan 0.000 0.215 188 P C 1.863 179.111 177.300 -0.087 0.000 1.163 188 P CA 0.741 63.797 63.100 -0.073 0.000 0.894 188 P CB -0.322 31.372 31.700 -0.009 0.000 0.791 189 V N -0.013 119.872 119.914 -0.048 0.000 2.231 189 V HA -0.330 3.790 4.120 0.000 0.000 0.250 189 V C 2.375 178.455 176.094 -0.024 0.000 1.058 189 V CA 2.346 64.633 62.300 -0.021 0.000 1.022 189 V CB -1.430 30.384 31.823 -0.015 0.000 0.640 189 V HN 0.121 nan 8.190 nan 0.000 0.445 190 E N -0.229 119.935 120.200 -0.061 0.000 2.132 190 E HA -0.303 4.047 4.350 0.000 0.000 0.218 190 E C 2.019 178.521 176.600 -0.164 0.000 1.058 190 E CA 2.383 58.728 56.400 -0.092 0.000 0.882 190 E CB -0.410 29.219 29.700 -0.119 0.000 0.774 190 E HN 0.555 nan 8.360 nan 0.000 0.467 191 L N -0.895 120.128 121.223 -0.334 0.000 2.017 191 L HA -0.197 4.143 4.340 0.000 0.000 0.208 191 L C 2.415 178.992 176.870 -0.488 0.000 1.073 191 L CA 1.563 56.027 54.840 -0.627 0.000 0.745 191 L CB -0.561 40.659 42.059 -1.397 0.000 0.894 191 L HN 0.253 nan 8.230 nan 0.000 0.432 192 H N 0.542 119.385 119.070 -0.378 0.000 2.287 192 H HA -0.243 4.313 4.556 0.000 0.000 0.292 192 H C 1.913 177.198 175.328 -0.071 0.000 1.068 192 H CA 2.455 58.443 56.048 -0.100 0.000 1.192 192 H CB -0.202 29.554 29.762 -0.010 0.000 1.360 192 H HN 0.228 nan 8.280 nan 0.000 0.516 193 D N -0.671 119.775 120.400 0.077 0.000 2.230 193 D HA -0.274 4.366 4.640 0.000 0.000 0.189 193 D C 2.079 178.387 176.300 0.014 0.000 1.006 193 D CA 1.886 55.910 54.000 0.040 0.000 0.853 193 D CB -0.987 39.861 40.800 0.080 0.000 0.959 193 D HN 0.459 nan 8.370 nan 0.000 0.449 194 Y N 0.719 120.937 120.300 -0.136 0.000 2.298 194 Y HA -0.223 4.327 4.550 0.000 0.000 0.287 194 Y C 2.161 177.907 175.900 -0.257 0.000 1.164 194 Y CA 0.935 58.944 58.100 -0.151 0.000 1.229 194 Y CB -0.130 38.143 38.460 -0.312 0.000 0.977 194 Y HN -0.122 nan 8.280 nan 0.000 0.538 195 V N 0.266 119.981 119.914 -0.332 0.000 2.302 195 V HA -0.308 3.812 4.120 0.000 0.000 0.243 195 V C 2.348 178.286 176.094 -0.259 0.000 1.036 195 V CA 1.998 63.971 62.300 -0.546 0.000 1.020 195 V CB -0.917 30.705 31.823 -0.335 0.000 0.657 195 V HN 0.478 nan 8.190 nan 0.000 0.453 196 Q N 0.741 120.398 119.800 -0.239 0.000 2.181 196 Q HA -0.269 4.071 4.340 0.000 0.000 0.205 196 Q C 1.696 177.612 176.000 -0.141 0.000 0.980 196 Q CA 2.407 58.104 55.803 -0.177 0.000 0.862 196 Q CB -0.238 28.370 28.738 -0.216 0.000 0.905 196 Q HN 0.660 nan 8.270 nan 0.000 0.429 197 N N -0.618 117.984 118.700 -0.163 0.000 2.368 197 N HA -0.018 4.722 4.740 0.000 0.000 0.176 197 N C 1.163 176.345 175.510 -0.546 0.000 1.021 197 N CA 1.200 54.060 53.050 -0.316 0.000 0.888 197 N CB 0.039 38.294 38.487 -0.387 0.000 0.995 197 N HN 0.450 nan 8.380 nan 0.000 0.437 198 H N -1.446 117.449 119.070 -0.292 0.000 2.545 198 H HA 0.213 4.769 4.556 0.000 0.000 0.283 198 H C -0.152 175.162 175.328 -0.023 0.000 0.997 198 H CA -0.005 55.860 56.048 -0.304 0.000 1.269 198 H CB 0.260 29.629 29.762 -0.655 0.000 1.451 198 H HN 0.037 nan 8.280 nan 0.000 0.508 199 F N 2.925 122.804 119.950 -0.117 0.000 2.652 199 F HA 0.226 4.753 4.527 0.000 0.000 0.352 199 F C 0.909 176.657 175.800 -0.086 0.000 1.259 199 F CA -0.023 57.926 58.000 -0.086 0.000 1.249 199 F CB -0.373 38.587 39.000 -0.067 0.000 1.628 199 F HN -0.079 nan 8.300 nan 0.000 0.654 200 T N -0.749 113.842 114.554 0.060 0.000 2.858 200 T HA 0.328 4.678 4.350 0.000 0.000 0.285 200 T C 1.349 176.047 174.700 -0.003 0.000 1.052 200 T CA -0.296 61.809 62.100 0.008 0.000 1.009 200 T CB 1.623 70.468 68.868 -0.039 0.000 1.241 200 T HN 0.196 nan 8.240 nan 0.000 0.542 201 S N 0.660 116.358 115.700 -0.004 0.000 2.355 201 S HA -0.011 4.459 4.470 0.000 0.000 0.222 201 S C 2.245 176.844 174.600 -0.001 0.000 1.031 201 S CA 1.357 59.558 58.200 0.001 0.000 0.993 201 S CB -0.620 62.582 63.200 0.004 0.000 0.859 201 S HN 0.766 nan 8.310 nan 0.000 0.453 202 A N 1.530 124.344 122.820 -0.010 0.000 2.015 202 A HA -0.056 4.264 4.320 0.000 0.000 0.219 202 A C 1.971 179.549 177.584 -0.009 0.000 1.163 202 A CA 1.041 53.073 52.037 -0.009 0.000 0.646 202 A CB -0.296 18.696 19.000 -0.015 0.000 0.806 202 A HN 0.485 nan 8.150 nan 0.000 0.448 203 R N -1.302 119.188 120.500 -0.017 0.000 2.317 203 R HA 0.328 4.668 4.340 0.000 0.000 0.208 203 R C 0.180 176.479 176.300 -0.001 0.000 0.914 203 R CA -0.020 56.070 56.100 -0.016 0.000 1.060 203 R CB 0.063 30.337 30.300 -0.044 0.000 1.015 203 R HN 0.447 nan 8.270 nan 0.000 0.498 204 M N 0.254 119.855 119.600 0.001 0.000 2.573 204 M HA 0.530 5.010 4.480 0.000 0.000 0.309 204 M C -0.594 175.722 176.300 0.025 0.000 1.202 204 M CA -0.809 54.498 55.300 0.012 0.000 0.975 204 M CB 2.051 34.648 32.600 -0.006 0.000 1.600 204 M HN -0.054 nan 8.290 nan 0.000 0.479 205 A N 2.422 125.274 122.820 0.053 0.000 2.530 205 A HA 0.581 4.901 4.320 0.000 0.000 0.279 205 A C -1.324 176.320 177.584 0.100 0.000 1.109 205 A CA -0.617 51.447 52.037 0.045 0.000 0.763 205 A CB 0.845 19.834 19.000 -0.019 0.000 1.257 205 A HN 0.648 nan 8.150 nan 0.000 0.424 206 L N 3.187 124.447 121.223 0.062 0.000 2.439 206 L HA 0.530 4.870 4.340 0.000 0.000 0.269 206 L C -0.338 176.568 176.870 0.060 0.000 1.179 206 L CA 0.297 55.175 54.840 0.063 0.000 0.828 206 L CB 0.461 42.534 42.059 0.024 0.000 1.106 206 L HN 0.548 nan 8.230 nan 0.000 0.467 207 I N 2.831 123.453 120.570 0.087 0.000 2.644 207 I HA 0.480 4.650 4.170 0.000 0.000 0.291 207 I C 0.075 176.226 176.117 0.058 0.000 1.180 207 I CA -0.417 60.925 61.300 0.070 0.000 1.040 207 I CB 1.214 39.292 38.000 0.130 0.000 1.255 207 I HN 0.615 nan 8.210 nan 0.000 0.422 208 G N 3.581 112.397 108.800 0.026 0.000 2.481 208 G HA2 0.634 4.594 3.960 0.000 0.000 0.315 208 G HA3 0.634 4.594 3.960 0.000 0.000 0.315 208 G C -0.567 174.356 174.900 0.039 0.000 1.231 208 G CA -0.374 44.740 45.100 0.024 0.000 0.968 208 G HN 0.587 nan 8.290 nan 0.000 0.482 209 L N 1.002 122.241 121.223 0.026 0.000 2.906 209 L HA 0.569 4.909 4.340 0.000 0.000 0.255 209 L C 1.083 177.928 176.870 -0.042 0.000 1.166 209 L CA 0.574 55.419 54.840 0.008 0.000 0.977 209 L CB 0.763 42.837 42.059 0.024 0.000 1.313 209 L HN 0.727 nan 8.230 nan 0.000 0.549 210 G N -0.441 108.342 108.800 -0.028 0.000 5.648 210 G HA2 0.366 4.326 3.960 0.000 0.000 0.192 210 G HA3 0.366 4.326 3.960 0.000 0.000 0.192 210 G C -0.968 173.921 174.900 -0.019 0.000 0.694 210 G CA 0.040 45.117 45.100 -0.039 0.000 0.654 210 G HN -0.009 nan 8.290 nan 0.000 0.324 211 V N 0.811 120.722 119.914 -0.005 0.000 3.019 211 V HA 0.746 4.866 4.120 0.000 0.000 0.317 211 V C 0.686 176.796 176.094 0.026 0.000 1.094 211 V CA -0.627 61.677 62.300 0.006 0.000 1.000 211 V CB 1.960 33.786 31.823 0.005 0.000 1.060 211 V HN 0.472 nan 8.190 nan 0.000 0.443 212 S N 0.447 116.170 115.700 0.038 0.000 2.505 212 S HA 0.156 4.626 4.470 0.000 0.000 0.276 212 S C 0.898 175.569 174.600 0.120 0.000 1.274 212 S CA 0.130 58.368 58.200 0.064 0.000 1.053 212 S CB 0.042 63.270 63.200 0.047 0.000 0.919 212 S HN 0.895 nan 8.310 nan 0.000 0.490 213 H N 4.373 123.450 119.070 0.012 0.000 2.395 213 H HA 0.063 4.619 4.556 0.000 0.000 0.299 213 H C -1.078 174.260 175.328 0.017 0.000 1.070 213 H CA 0.655 56.713 56.048 0.017 0.000 1.356 213 H CB -0.535 29.234 29.762 0.012 0.000 1.401 213 H HN 0.538 nan 8.280 nan 0.000 0.524 214 P HA -0.160 nan 4.420 nan 0.000 0.215 214 P C 1.738 179.082 177.300 0.072 0.000 1.157 214 P CA 0.927 64.045 63.100 0.030 0.000 0.868 214 P CB 0.059 31.755 31.700 -0.006 0.000 0.788 215 V N -0.999 118.960 119.914 0.076 0.000 2.591 215 V HA -0.141 3.979 4.120 0.000 0.000 0.249 215 V C 2.302 178.449 176.094 0.088 0.000 1.053 215 V CA 1.023 63.364 62.300 0.068 0.000 1.068 215 V CB -0.981 30.870 31.823 0.047 0.000 0.689 215 V HN -0.011 nan 8.190 nan 0.000 0.462 216 L N 0.573 121.862 121.223 0.109 0.000 1.994 216 L HA -0.189 4.151 4.340 0.000 0.000 0.208 216 L C 2.503 179.450 176.870 0.128 0.000 1.071 216 L CA 2.364 57.262 54.840 0.097 0.000 0.745 216 L CB -0.763 41.333 42.059 0.062 0.000 0.892 216 L HN 0.268 nan 8.230 nan 0.000 0.431 217 K N -0.839 119.683 120.400 0.204 0.000 2.063 217 K HA -0.276 4.044 4.320 0.000 0.000 0.208 217 K C 2.131 178.800 176.600 0.114 0.000 1.048 217 K CA 1.904 58.297 56.287 0.177 0.000 0.928 217 K CB -0.272 32.356 32.500 0.215 0.000 0.713 217 K HN 0.533 nan 8.250 nan 0.000 0.442 218 Q N 0.555 120.411 119.800 0.094 0.000 1.998 218 Q HA -0.210 4.130 4.340 0.000 0.000 0.209 218 Q C 2.104 178.165 176.000 0.101 0.000 1.002 218 Q CA 2.519 58.366 55.803 0.073 0.000 0.858 218 Q CB -0.262 28.515 28.738 0.063 0.000 0.932 218 Q HN 0.242 nan 8.270 nan 0.000 0.416 219 V N 0.801 120.804 119.914 0.148 0.000 2.231 219 V HA -0.379 3.741 4.120 0.000 0.000 0.248 219 V C 2.372 178.630 176.094 0.273 0.000 1.054 219 V CA 2.159 64.617 62.300 0.264 0.000 1.015 219 V CB -1.203 30.733 31.823 0.188 0.000 0.638 219 V HN 0.635 nan 8.190 nan 0.000 0.444 220 A N 0.104 123.023 122.820 0.165 0.000 1.870 220 A HA -0.380 3.940 4.320 0.000 0.000 0.219 220 A C 2.000 179.652 177.584 0.115 0.000 1.224 220 A CA 2.703 54.820 52.037 0.133 0.000 0.650 220 A CB -0.953 18.106 19.000 0.097 0.000 0.836 220 A HN 0.752 nan 8.150 nan 0.000 0.454 221 E N -0.966 119.280 120.200 0.076 0.000 2.147 221 E HA -0.314 4.036 4.350 0.000 0.000 0.199 221 E C 2.169 178.751 176.600 -0.029 0.000 1.005 221 E CA 1.562 57.979 56.400 0.028 0.000 0.810 221 E CB -0.247 29.465 29.700 0.020 0.000 0.736 221 E HN 0.818 nan 8.360 nan 0.000 0.460 222 Q N -0.615 119.143 119.800 -0.071 0.000 2.137 222 Q HA -0.055 4.285 4.340 0.000 0.000 0.198 222 Q C 1.183 176.884 176.000 -0.498 0.000 0.960 222 Q CA 1.220 56.822 55.803 -0.335 0.000 0.847 222 Q CB 0.196 28.615 28.738 -0.532 0.000 0.915 222 Q HN 0.293 nan 8.270 nan 0.000 0.448 223 F N -1.602 118.349 119.950 0.001 0.000 2.680 223 F HA 0.214 4.741 4.527 0.000 0.000 0.290 223 F C 0.778 176.575 175.800 -0.006 0.000 1.114 223 F CA -0.031 57.967 58.000 -0.004 0.000 1.333 223 F CB 0.595 39.590 39.000 -0.008 0.000 1.091 223 F HN -0.109 nan 8.300 nan 0.000 0.606 224 L N 0.917 122.231 121.223 0.152 0.000 2.851 224 L HA 0.196 4.536 4.340 0.000 0.000 0.237 224 L C 0.039 176.936 176.870 0.045 0.000 1.257 224 L CA -0.051 54.840 54.840 0.085 0.000 1.061 224 L CB -0.658 41.441 42.059 0.067 0.000 1.372 224 L HN 0.023 nan 8.230 nan 0.000 0.493 225 N N 1.801 120.519 118.700 0.029 0.000 2.955 225 N HA 0.386 5.126 4.740 0.000 0.000 0.242 225 N C -1.001 174.514 175.510 0.009 0.000 1.123 225 N CA -0.219 52.839 53.050 0.012 0.000 0.949 225 N CB 0.278 38.763 38.487 -0.003 0.000 1.214 225 N HN 0.076 nan 8.380 nan 0.000 0.504 226 I N 1.275 121.852 120.570 0.011 0.000 2.608 226 I HA 0.465 4.635 4.170 0.000 0.000 0.295 226 I C 0.143 176.257 176.117 -0.004 0.000 1.049 226 I CA -0.792 60.512 61.300 0.006 0.000 1.063 226 I CB 1.772 39.779 38.000 0.012 0.000 1.248 226 I HN 0.050 nan 8.210 nan 0.000 0.424 227 R N 2.394 122.888 120.500 -0.010 0.000 2.486 227 R HA 0.889 5.229 4.340 0.000 0.000 0.286 227 R C -0.271 176.009 176.300 -0.033 0.000 0.999 227 R CA -0.791 55.298 56.100 -0.018 0.000 0.993 227 R CB 1.580 31.872 30.300 -0.014 0.000 1.084 227 R HN 0.936 nan 8.270 nan 0.000 0.487 228 G N -0.121 108.651 108.800 -0.045 0.000 2.299 228 G HA2 0.432 4.392 3.960 0.000 0.000 0.312 228 G HA3 0.432 4.392 3.960 0.000 0.000 0.312 228 G C -0.825 174.028 174.900 -0.078 0.000 1.654 228 G CA -0.441 44.614 45.100 -0.075 0.000 0.912 228 G HN 0.700 nan 8.290 nan 0.000 0.667 229 G N 0.005 108.759 108.800 -0.077 0.000 2.502 229 G HA2 0.649 4.609 3.960 0.000 0.000 0.305 229 G HA3 0.649 4.609 3.960 0.000 0.000 0.305 229 G C 0.331 175.182 174.900 -0.082 0.000 1.190 229 G CA -0.916 44.150 45.100 -0.058 0.000 0.933 229 G HN 0.734 nan 8.290 nan 0.000 0.503 230 L N -0.001 121.196 121.223 -0.043 0.000 2.466 230 L HA 0.421 4.761 4.340 0.000 0.000 0.257 230 L C 1.641 178.507 176.870 -0.007 0.000 1.189 230 L CA 0.627 55.449 54.840 -0.030 0.000 0.813 230 L CB 0.841 42.922 42.059 0.037 0.000 1.118 230 L HN 0.950 nan 8.230 nan 0.000 0.471 231 G N 1.512 110.340 108.800 0.046 0.000 2.179 231 G HA2 -0.290 3.670 3.960 0.000 0.000 0.257 231 G HA3 -0.290 3.670 3.960 0.000 0.000 0.257 231 G C 0.679 175.611 174.900 0.054 0.000 1.010 231 G CA 0.502 45.672 45.100 0.118 0.000 0.736 231 G HN 0.567 nan 8.290 nan 0.000 0.513 232 L N 0.870 122.069 121.223 -0.039 0.000 2.351 232 L HA -0.132 4.208 4.340 0.000 0.000 0.220 232 L C 2.957 179.869 176.870 0.070 0.000 1.127 232 L CA 2.014 56.839 54.840 -0.024 0.000 0.786 232 L CB -0.472 41.523 42.059 -0.108 0.000 0.914 232 L HN 0.518 nan 8.230 nan 0.000 0.443 233 S N -0.535 115.270 115.700 0.174 0.000 2.357 233 S HA 0.099 4.569 4.470 0.000 0.000 0.221 233 S C 1.463 176.181 174.600 0.195 0.000 1.031 233 S CA 0.564 58.955 58.200 0.318 0.000 0.982 233 S CB -0.265 63.337 63.200 0.670 0.000 0.853 233 S HN 0.487 nan 8.310 nan 0.000 0.458 234 G N 1.042 109.935 108.800 0.155 0.000 2.441 234 G HA2 0.306 4.266 3.960 0.000 0.000 0.139 234 G HA3 0.306 4.266 3.960 0.000 0.000 0.139 234 G C -0.086 174.846 174.900 0.054 0.000 1.067 234 G CA -0.449 44.702 45.100 0.085 0.000 0.766 234 G HN 0.865 nan 8.290 nan 0.000 0.484 235 A N 0.250 123.115 122.820 0.076 0.000 2.483 235 A HA 0.796 5.116 4.320 0.000 0.000 0.238 235 A C 0.615 178.204 177.584 0.007 0.000 1.070 235 A CA 1.458 53.510 52.037 0.024 0.000 0.770 235 A CB 0.678 19.742 19.000 0.107 0.000 1.008 235 A HN 2.073 nan 8.150 nan 0.000 0.497 236 K N -0.229 120.158 120.400 -0.021 0.000 3.120 236 K HA 0.495 4.815 4.320 0.000 0.000 0.337 236 K C -1.490 175.106 176.600 -0.006 0.000 1.147 236 K CA -0.052 56.236 56.287 0.001 0.000 0.901 236 K CB -0.123 32.385 32.500 0.013 0.000 1.386 236 K HN 1.696 nan 8.250 nan 0.000 0.391 237 A N 2.477 125.315 122.820 0.030 0.000 2.374 237 A HA 0.865 5.185 4.320 0.000 0.000 0.317 237 A C -1.383 176.275 177.584 0.123 0.000 1.094 237 A CA -0.584 51.488 52.037 0.059 0.000 0.765 237 A CB 1.910 20.954 19.000 0.074 0.000 1.268 237 A HN 0.613 nan 8.150 nan 0.000 0.438 238 K N 0.381 120.914 120.400 0.222 0.000 2.578 238 K HA 0.400 4.720 4.320 0.000 0.000 0.269 238 K C -2.491 174.325 176.600 0.360 0.000 0.941 238 K CA -0.503 55.924 56.287 0.234 0.000 0.847 238 K CB 2.125 34.709 32.500 0.141 0.000 1.397 238 K HN 0.790 nan 8.250 nan 0.000 0.422 239 Y N 3.811 124.162 120.300 0.086 0.000 2.361 239 Y HA 0.413 4.963 4.550 0.000 0.000 0.337 239 Y C -1.423 174.463 175.900 -0.023 0.000 0.965 239 Y CA -0.599 57.438 58.100 -0.104 0.000 1.091 239 Y CB 1.112 39.458 38.460 -0.191 0.000 1.182 239 Y HN 0.584 nan 8.280 nan 0.000 0.450 240 H N 4.633 123.206 119.070 -0.828 0.000 2.744 240 H HA 0.511 5.067 4.556 0.000 0.000 0.339 240 H C -0.966 173.819 175.328 -0.905 0.000 1.004 240 H CA -0.485 55.149 56.048 -0.690 0.000 1.257 240 H CB 1.584 31.160 29.762 -0.310 0.000 1.552 240 H HN 1.028 nan 8.280 nan 0.000 0.522 241 G N 2.203 110.275 108.800 -1.212 0.000 2.380 241 G HA2 0.481 4.441 3.960 0.000 0.000 0.262 241 G HA3 0.481 4.441 3.960 0.000 0.000 0.262 241 G C -0.086 174.265 174.900 -0.914 0.000 1.243 241 G CA 0.239 44.801 45.100 -0.896 0.000 0.865 241 G HN 0.813 nan 8.290 nan 0.000 0.513 242 G N 1.149 109.610 108.800 -0.565 0.000 2.721 242 G HA2 0.744 4.704 3.960 0.000 0.000 0.296 242 G HA3 0.744 4.704 3.960 0.000 0.000 0.296 242 G C -1.171 173.632 174.900 -0.163 0.000 1.383 242 G CA -0.805 44.108 45.100 -0.311 0.000 0.788 242 G HN 0.760 nan 8.290 nan 0.000 0.500 243 E N -0.820 119.329 120.200 -0.085 0.000 2.292 243 E HA 0.649 4.999 4.350 0.000 0.000 0.272 243 E C -1.582 174.986 176.600 -0.053 0.000 0.881 243 E CA -0.857 55.490 56.400 -0.088 0.000 0.754 243 E CB 2.813 32.454 29.700 -0.098 0.000 1.201 243 E HN 0.347 nan 8.360 nan 0.000 0.425 244 I N 2.037 122.569 120.570 -0.064 0.000 2.447 244 I HA 0.384 4.554 4.170 0.000 0.000 0.287 244 I C -0.497 175.587 176.117 -0.054 0.000 1.023 244 I CA -0.695 60.584 61.300 -0.036 0.000 1.083 244 I CB 1.833 39.824 38.000 -0.015 0.000 1.245 244 I HN 0.338 nan 8.210 nan 0.000 0.434 245 R N 4.868 125.341 120.500 -0.045 0.000 2.409 245 R HA 0.395 4.735 4.340 0.000 0.000 0.313 245 R C -0.878 175.406 176.300 -0.026 0.000 0.953 245 R CA -0.644 55.414 56.100 -0.070 0.000 0.849 245 R CB 2.284 32.518 30.300 -0.111 0.000 1.171 245 R HN 0.539 nan 8.270 nan 0.000 0.458 246 E N 2.853 123.040 120.200 -0.022 0.000 2.129 246 E HA 0.085 4.435 4.350 0.000 0.000 0.268 246 E C -1.156 175.427 176.600 -0.028 0.000 0.900 246 E CA -0.655 55.739 56.400 -0.009 0.000 0.755 246 E CB 1.501 31.207 29.700 0.011 0.000 1.117 246 E HN 0.348 nan 8.360 nan 0.000 0.410 247 Q N 3.357 123.142 119.800 -0.026 0.000 2.259 247 Q HA 0.285 4.625 4.340 0.000 0.000 0.249 247 Q C -1.044 174.935 176.000 -0.035 0.000 0.914 247 Q CA -0.091 55.696 55.803 -0.027 0.000 0.904 247 Q CB 0.915 29.644 28.738 -0.015 0.000 1.213 247 Q HN 0.451 nan 8.270 nan 0.000 0.428 248 N N 0.649 119.328 118.700 -0.035 0.000 3.343 248 N HA 0.611 5.351 4.740 0.000 0.000 0.330 248 N C -0.425 175.067 175.510 -0.031 0.000 1.560 248 N CA -0.044 52.983 53.050 -0.038 0.000 0.752 248 N CB 1.481 39.946 38.487 -0.037 0.000 1.863 248 N HN 0.603 nan 8.380 nan 0.000 0.636 249 G N -1.413 107.370 108.800 -0.029 0.000 2.944 249 G HA2 0.005 3.965 3.960 0.000 0.000 0.223 249 G HA3 0.005 3.965 3.960 0.000 0.000 0.223 249 G C -0.103 174.784 174.900 -0.022 0.000 1.071 249 G CA -0.034 45.051 45.100 -0.025 0.000 0.806 249 G HN 0.502 nan 8.290 nan 0.000 0.538 250 D N 1.653 122.043 120.400 -0.017 0.000 2.571 250 D HA -0.027 4.613 4.640 0.000 0.000 0.231 250 D C 2.061 178.359 176.300 -0.004 0.000 1.133 250 D CA 0.692 54.689 54.000 -0.005 0.000 0.862 250 D CB 1.327 42.131 40.800 0.007 0.000 1.179 250 D HN 0.187 nan 8.370 nan 0.000 0.474 251 S N 3.715 119.414 115.700 -0.003 0.000 2.383 251 S HA -0.141 4.329 4.470 0.000 0.000 0.229 251 S C 1.327 175.928 174.600 0.001 0.000 1.030 251 S CA 0.535 58.730 58.200 -0.010 0.000 1.002 251 S CB -0.164 63.034 63.200 -0.005 0.000 0.829 251 S HN 0.478 nan 8.310 nan 0.000 0.467 252 L N 1.509 122.752 121.223 0.033 0.000 2.379 252 L HA 0.655 4.995 4.340 0.000 0.000 0.269 252 L C -0.217 176.706 176.870 0.088 0.000 1.084 252 L CA -0.810 54.066 54.840 0.059 0.000 0.802 252 L CB 1.647 43.762 42.059 0.094 0.000 1.175 252 L HN 0.188 nan 8.230 nan 0.000 0.448 253 V N 2.269 122.235 119.914 0.086 0.000 2.531 253 V HA 0.433 4.553 4.120 0.000 0.000 0.301 253 V C -0.684 175.495 176.094 0.142 0.000 1.034 253 V CA -0.288 62.071 62.300 0.097 0.000 0.865 253 V CB 1.499 33.335 31.823 0.022 0.000 0.995 253 V HN 0.674 nan 8.190 nan 0.000 0.424 254 H N 5.040 124.095 119.070 -0.025 0.000 2.472 254 H HA 0.825 5.381 4.556 0.000 0.000 0.338 254 H C -0.100 175.082 175.328 -0.244 0.000 1.133 254 H CA -0.286 55.712 56.048 -0.083 0.000 1.216 254 H CB 2.219 31.980 29.762 -0.001 0.000 1.497 254 H HN 0.963 nan 8.280 nan 0.000 0.500 255 A N 1.681 124.337 122.820 -0.274 0.000 2.475 255 A HA 0.735 5.055 4.320 0.000 0.000 0.301 255 A C -1.076 176.162 177.584 -0.577 0.000 1.059 255 A CA -0.524 51.309 52.037 -0.341 0.000 0.710 255 A CB 1.643 20.528 19.000 -0.193 0.000 1.288 255 A HN 0.758 nan 8.150 nan 0.000 0.408 256 A N 0.504 123.025 122.820 -0.499 0.000 2.356 256 A HA 0.843 5.163 4.320 0.000 0.000 0.323 256 A C -1.402 175.958 177.584 -0.373 0.000 1.119 256 A CA -0.490 51.262 52.037 -0.475 0.000 0.790 256 A CB 1.319 20.057 19.000 -0.437 0.000 1.273 256 A HN 1.596 nan 8.150 nan 0.000 0.452 257 L N 1.884 122.840 121.223 -0.445 0.000 2.482 257 L HA 0.694 5.034 4.340 0.000 0.000 0.269 257 L C -1.364 175.452 176.870 -0.090 0.000 0.967 257 L CA -0.183 54.458 54.840 -0.332 0.000 0.851 257 L CB 1.687 43.470 42.059 -0.460 0.000 1.242 257 L HN 0.534 nan 8.230 nan 0.000 0.404 258 V N 3.516 123.448 119.914 0.029 0.000 2.932 258 V HA 0.948 5.068 4.120 0.000 0.000 0.307 258 V C -0.490 175.623 176.094 0.032 0.000 1.147 258 V CA -0.127 62.276 62.300 0.172 0.000 0.951 258 V CB 2.085 34.006 31.823 0.163 0.000 1.031 258 V HN 0.921 nan 8.190 nan 0.000 0.426 259 A N 2.487 125.320 122.820 0.021 0.000 2.346 259 A HA 0.765 5.085 4.320 0.000 0.000 0.313 259 A C -0.260 177.145 177.584 -0.298 0.000 1.140 259 A CA -0.658 51.272 52.037 -0.178 0.000 0.826 259 A CB 1.196 20.034 19.000 -0.271 0.000 1.332 259 A HN 0.851 nan 8.150 nan 0.000 0.457 260 E N 0.916 120.694 120.200 -0.702 0.000 2.498 260 E HA 0.176 4.526 4.350 0.000 0.000 0.252 260 E C 0.212 176.561 176.600 -0.420 0.000 1.025 260 E CA 0.097 56.061 56.400 -0.726 0.000 0.938 260 E CB 0.333 29.488 29.700 -0.908 0.000 0.947 260 E HN 0.557 nan 8.360 nan 0.000 0.478 261 S N 2.426 117.898 115.700 -0.380 0.000 2.634 261 S HA 0.464 4.934 4.470 0.000 0.000 0.261 261 S C -0.249 174.023 174.600 -0.548 0.000 1.271 261 S CA -0.193 57.609 58.200 -0.663 0.000 0.985 261 S CB 0.882 63.832 63.200 -0.415 0.000 0.968 261 S HN 0.631 nan 8.310 nan 0.000 0.568 262 A N 1.114 123.505 122.820 -0.716 0.000 2.351 262 A HA 0.656 4.976 4.320 0.000 0.000 0.257 262 A C 0.474 178.057 177.584 -0.002 0.000 1.087 262 A CA -0.070 51.969 52.037 0.005 0.000 0.798 262 A CB -0.271 19.010 19.000 0.469 0.000 1.033 262 A HN 1.123 nan 8.150 nan 0.000 0.488 263 A N 0.928 123.777 122.820 0.049 0.000 2.406 263 A HA 0.449 4.769 4.320 0.000 0.000 0.243 263 A C 0.456 178.063 177.584 0.038 0.000 1.082 263 A CA -0.316 51.749 52.037 0.047 0.000 0.786 263 A CB -0.129 18.904 19.000 0.056 0.000 1.029 263 A HN 1.122 nan 8.150 nan 0.000 0.495 264 I N 1.047 121.635 120.570 0.030 0.000 2.741 264 I HA 0.300 4.470 4.170 0.000 0.000 0.288 264 I C 1.409 177.532 176.117 0.009 0.000 1.192 264 I CA 1.842 63.147 61.300 0.009 0.000 1.426 264 I CB 0.199 38.207 38.000 0.013 0.000 1.367 264 I HN 1.227 nan 8.210 nan 0.000 0.563 265 G N 4.021 112.819 108.800 -0.004 0.000 2.203 265 G HA2 -0.268 3.692 3.960 0.000 0.000 0.263 265 G HA3 -0.268 3.692 3.960 0.000 0.000 0.263 265 G C 0.158 175.053 174.900 -0.008 0.000 1.012 265 G CA 0.477 45.569 45.100 -0.014 0.000 0.749 265 G HN 0.721 nan 8.290 nan 0.000 0.512 266 S N -1.073 114.632 115.700 0.009 0.000 2.739 266 S HA 0.841 5.311 4.470 0.000 0.000 0.306 266 S C 1.544 176.150 174.600 0.009 0.000 1.115 266 S CA 0.070 58.277 58.200 0.011 0.000 0.985 266 S CB 1.860 65.077 63.200 0.028 0.000 1.133 266 S HN 1.231 nan 8.310 nan 0.000 0.541 267 A N 1.260 124.079 122.820 -0.001 0.000 1.829 267 A HA -0.135 4.185 4.320 0.000 0.000 0.216 267 A C 1.785 179.365 177.584 -0.006 0.000 1.207 267 A CA 1.865 53.892 52.037 -0.017 0.000 0.622 267 A CB -1.341 17.641 19.000 -0.030 0.000 0.846 267 A HN 0.925 nan 8.150 nan 0.000 0.447 268 E N -0.582 119.620 120.200 0.003 0.000 2.170 268 E HA -0.376 3.974 4.350 0.000 0.000 0.229 268 E C 2.211 178.876 176.600 0.108 0.000 1.074 268 E CA 1.563 57.965 56.400 0.003 0.000 0.930 268 E CB -0.633 29.140 29.700 0.121 0.000 0.806 268 E HN 0.628 nan 8.360 nan 0.000 0.478 269 A N 1.821 124.779 122.820 0.231 0.000 1.901 269 A HA -0.413 3.907 4.320 0.000 0.000 0.227 269 A C 1.979 179.679 177.584 0.194 0.000 1.551 269 A CA 2.491 54.682 52.037 0.256 0.000 0.769 269 A CB -1.350 17.710 19.000 0.101 0.000 0.845 269 A HN 0.340 nan 8.150 nan 0.000 0.481 270 N N 0.029 118.771 118.700 0.070 0.000 2.133 270 N HA -0.204 4.536 4.740 0.000 0.000 0.193 270 N C 1.794 177.300 175.510 -0.006 0.000 1.012 270 N CA 2.188 55.250 53.050 0.020 0.000 0.871 270 N CB -0.617 37.858 38.487 -0.019 0.000 1.011 270 N HN 0.552 nan 8.380 nan 0.000 0.435 271 A N -0.087 122.692 122.820 -0.068 0.000 1.858 271 A HA -0.095 4.225 4.320 0.000 0.000 0.216 271 A C 2.138 179.594 177.584 -0.213 0.000 1.190 271 A CA 1.209 53.141 52.037 -0.175 0.000 0.617 271 A CB -1.085 17.740 19.000 -0.292 0.000 0.827 271 A HN 0.276 nan 8.150 nan 0.000 0.443 272 F N 1.465 121.333 119.950 -0.138 0.000 2.063 272 F HA -0.275 4.252 4.527 0.000 0.000 0.298 272 F C 2.909 178.656 175.800 -0.088 0.000 1.109 272 F CA 2.034 59.900 58.000 -0.224 0.000 1.212 272 F CB -0.910 37.962 39.000 -0.212 0.000 0.973 272 F HN 0.201 nan 8.300 nan 0.000 0.480 273 S N 0.093 115.898 115.700 0.174 0.000 2.387 273 S HA -0.193 4.277 4.470 0.000 0.000 0.230 273 S C 2.223 176.946 174.600 0.205 0.000 1.035 273 S CA 1.404 59.707 58.200 0.171 0.000 1.014 273 S CB -1.006 62.279 63.200 0.142 0.000 0.836 273 S HN 0.195 nan 8.310 nan 0.000 0.466 274 V N 2.397 122.387 119.914 0.127 0.000 2.233 274 V HA -0.180 3.940 4.120 0.000 0.000 0.247 274 V C 2.335 178.503 176.094 0.123 0.000 1.050 274 V CA 1.876 64.246 62.300 0.117 0.000 1.010 274 V CB -0.991 30.840 31.823 0.014 0.000 0.637 274 V HN 0.442 nan 8.190 nan 0.000 0.444 275 L N 0.510 121.750 121.223 0.029 0.000 2.043 275 L HA -0.256 4.084 4.340 0.000 0.000 0.212 275 L C 2.578 179.539 176.870 0.152 0.000 1.075 275 L CA 2.642 57.494 54.840 0.019 0.000 0.752 275 L CB -1.046 40.930 42.059 -0.138 0.000 0.891 275 L HN 0.582 nan 8.230 nan 0.000 0.432 276 Q N -1.179 118.761 119.800 0.234 0.000 2.029 276 Q HA -0.335 4.005 4.340 0.000 0.000 0.209 276 Q C 2.181 178.267 176.000 0.144 0.000 0.999 276 Q CA 2.363 58.379 55.803 0.355 0.000 0.857 276 Q CB -0.617 28.276 28.738 0.258 0.000 0.926 276 Q HN 0.680 nan 8.270 nan 0.000 0.415 277 H N -0.462 118.698 119.070 0.151 0.000 2.460 277 H HA -0.102 4.454 4.556 0.000 0.000 0.297 277 H C 2.182 177.569 175.328 0.099 0.000 1.103 277 H CA 1.576 57.694 56.048 0.117 0.000 1.292 277 H CB 0.056 29.873 29.762 0.092 0.000 1.376 277 H HN 0.230 nan 8.280 nan 0.000 0.531 278 V N 0.587 120.620 119.914 0.199 0.000 2.515 278 V HA -0.195 3.925 4.120 0.000 0.000 0.250 278 V C 2.475 178.637 176.094 0.113 0.000 1.058 278 V CA 1.285 63.662 62.300 0.128 0.000 1.064 278 V CB -0.319 31.554 31.823 0.084 0.000 0.675 278 V HN 0.241 nan 8.190 nan 0.000 0.461 279 L N -0.264 121.030 121.223 0.119 0.000 2.388 279 L HA 0.384 4.724 4.340 0.000 0.000 0.209 279 L C 1.702 178.629 176.870 0.096 0.000 1.061 279 L CA 0.499 55.395 54.840 0.093 0.000 0.834 279 L CB -0.622 41.481 42.059 0.074 0.000 1.029 279 L HN 0.376 nan 8.230 nan 0.000 0.473 280 G N 1.148 110.002 108.800 0.091 0.000 2.097 280 G HA2 0.184 4.144 3.960 0.000 0.000 0.256 280 G HA3 0.184 4.144 3.960 0.000 0.000 0.256 280 G C 0.135 175.069 174.900 0.057 0.000 1.082 280 G CA 0.439 45.566 45.100 0.045 0.000 0.956 280 G HN 0.337 nan 8.290 nan 0.000 0.420 281 A N 3.266 126.112 122.820 0.042 0.000 2.937 281 A HA 0.669 4.989 4.320 0.000 0.000 0.338 281 A C 0.763 178.305 177.584 -0.070 0.000 1.273 281 A CA -0.022 52.014 52.037 -0.001 0.000 0.937 281 A CB 0.524 19.573 19.000 0.082 0.000 1.133 281 A HN 1.279 nan 8.150 nan 0.000 0.491 282 G N 2.931 111.642 108.800 -0.149 0.000 3.428 282 G HA2 0.533 4.493 3.960 0.000 0.000 0.344 282 G HA3 0.533 4.493 3.960 0.000 0.000 0.344 282 G C -2.392 172.284 174.900 -0.373 0.000 1.256 282 G CA -1.487 43.506 45.100 -0.178 0.000 1.209 282 G HN 0.443 nan 8.290 nan 0.000 0.470 283 P HA -0.182 nan 4.420 nan 0.000 0.261 283 P C 0.040 177.146 177.300 -0.322 0.000 1.133 283 P CA 0.574 63.486 63.100 -0.313 0.000 0.756 283 P CB 0.678 32.267 31.700 -0.185 0.000 0.726 284 H N 0.030 119.084 119.070 -0.026 0.000 2.592 284 H HA 0.180 4.736 4.556 0.000 0.000 0.265 284 H C 0.494 175.813 175.328 -0.015 0.000 0.955 284 H CA 0.313 56.356 56.048 -0.008 0.000 1.175 284 H CB 0.726 30.487 29.762 -0.002 0.000 1.433 284 H HN 0.123 nan 8.280 nan 0.000 0.537 285 V N 2.034 121.979 119.914 0.051 0.000 2.487 285 V HA 0.122 4.242 4.120 0.000 0.000 0.298 285 V C 0.323 176.408 176.094 -0.014 0.000 1.028 285 V CA -1.222 61.090 62.300 0.020 0.000 0.860 285 V CB 2.796 34.626 31.823 0.012 0.000 0.991 285 V HN 0.079 nan 8.190 nan 0.000 0.427 286 K N 4.343 124.738 120.400 -0.007 0.000 2.383 286 K HA 0.307 4.627 4.320 0.000 0.000 0.286 286 K C 0.820 177.408 176.600 -0.020 0.000 1.051 286 K CA 0.111 56.389 56.287 -0.015 0.000 0.974 286 K CB 0.051 32.547 32.500 -0.006 0.000 0.968 286 K HN 0.667 nan 8.250 nan 0.000 0.475 287 R N 1.115 121.596 120.500 -0.030 0.000 3.892 287 R HA -0.133 4.207 4.340 0.000 0.000 0.441 287 R C 0.025 176.302 176.300 -0.038 0.000 1.052 287 R CA 0.861 56.943 56.100 -0.030 0.000 1.190 287 R CB -1.619 28.670 30.300 -0.018 0.000 1.808 287 R HN 0.864 nan 8.270 nan 0.000 0.538 288 G N -0.259 108.512 108.800 -0.048 0.000 2.412 288 G HA2 0.519 4.479 3.960 0.000 0.000 0.318 288 G HA3 0.519 4.479 3.960 0.000 0.000 0.318 288 G C -0.777 174.060 174.900 -0.106 0.000 1.146 288 G CA 0.123 45.190 45.100 -0.055 0.000 0.882 288 G HN 0.051 nan 8.290 nan 0.000 0.501 289 S N 0.281 115.913 115.700 -0.114 0.000 2.578 289 S HA 0.438 4.908 4.470 0.000 0.000 0.301 289 S C -0.271 174.216 174.600 -0.187 0.000 1.091 289 S CA -0.981 57.095 58.200 -0.208 0.000 1.032 289 S CB 0.876 63.975 63.200 -0.169 0.000 1.064 289 S HN 0.512 nan 8.310 nan 0.000 0.508 290 N N 2.270 120.769 118.700 -0.335 0.000 2.488 290 N HA 0.340 5.080 4.740 0.000 0.000 0.274 290 N C 0.617 176.096 175.510 -0.052 0.000 1.111 290 N CA 0.025 52.971 53.050 -0.173 0.000 0.974 290 N CB 1.578 39.939 38.487 -0.210 0.000 1.089 290 N HN 0.683 nan 8.380 nan 0.000 0.465 291 A N 1.912 124.735 122.820 0.004 0.000 1.997 291 A HA -0.014 4.306 4.320 0.000 0.000 0.212 291 A C 1.825 179.440 177.584 0.052 0.000 1.178 291 A CA 0.823 52.882 52.037 0.036 0.000 0.698 291 A CB -0.256 18.761 19.000 0.028 0.000 0.842 291 A HN 0.609 nan 8.150 nan 0.000 0.458 292 T N 0.235 114.822 114.554 0.054 0.000 2.821 292 T HA -0.018 4.332 4.350 0.000 0.000 0.267 292 T C 1.171 175.921 174.700 0.082 0.000 1.046 292 T CA 1.071 63.212 62.100 0.068 0.000 1.139 292 T CB -0.306 68.615 68.868 0.087 0.000 0.871 292 T HN 0.268 nan 8.240 nan 0.000 0.454 293 S N 1.608 117.359 115.700 0.086 0.000 2.506 293 S HA 0.115 4.585 4.470 0.000 0.000 0.291 293 S C 1.475 176.154 174.600 0.132 0.000 1.230 293 S CA -0.336 57.932 58.200 0.114 0.000 1.107 293 S CB 0.411 63.684 63.200 0.122 0.000 0.942 293 S HN 0.335 nan 8.310 nan 0.000 0.502 294 S N 3.736 119.495 115.700 0.097 0.000 2.355 294 S HA -0.062 4.408 4.470 0.000 0.000 0.222 294 S C 1.823 176.460 174.600 0.062 0.000 1.031 294 S CA 0.759 59.000 58.200 0.069 0.000 0.993 294 S CB -0.224 63.002 63.200 0.042 0.000 0.859 294 S HN 0.632 nan 8.310 nan 0.000 0.453 295 L N 0.558 121.814 121.223 0.055 0.000 1.989 295 L HA -0.079 4.261 4.340 0.000 0.000 0.211 295 L C 2.060 178.970 176.870 0.067 0.000 1.071 295 L CA 1.922 56.765 54.840 0.005 0.000 0.749 295 L CB -1.134 40.913 42.059 -0.021 0.000 0.890 295 L HN 0.429 nan 8.230 nan 0.000 0.431 296 Y N -0.653 119.679 120.300 0.053 0.000 2.207 296 Y HA -0.313 4.237 4.550 0.000 0.000 0.287 296 Y C 2.655 178.632 175.900 0.129 0.000 1.156 296 Y CA 1.617 59.793 58.100 0.126 0.000 1.182 296 Y CB 0.040 38.553 38.460 0.087 0.000 0.979 296 Y HN 0.257 nan 8.280 nan 0.000 0.521 297 Q N -0.234 119.705 119.800 0.232 0.000 2.050 297 Q HA -0.144 4.196 4.340 0.000 0.000 0.202 297 Q C 2.517 178.553 176.000 0.061 0.000 0.980 297 Q CA 1.621 57.514 55.803 0.151 0.000 0.840 297 Q CB -0.985 27.820 28.738 0.113 0.000 0.898 297 Q HN 0.561 nan 8.270 nan 0.000 0.424 298 A N -0.251 122.581 122.820 0.019 0.000 1.855 298 A HA -0.105 4.215 4.320 0.000 0.000 0.215 298 A C 2.409 179.940 177.584 -0.088 0.000 1.191 298 A CA 1.561 53.580 52.037 -0.030 0.000 0.613 298 A CB -0.814 18.158 19.000 -0.046 0.000 0.829 298 A HN 0.199 nan 8.150 nan 0.000 0.442 299 V N 0.092 119.926 119.914 -0.135 0.000 2.233 299 V HA -0.278 3.842 4.120 0.000 0.000 0.247 299 V C 3.100 178.973 176.094 -0.368 0.000 1.050 299 V CA 2.106 64.238 62.300 -0.280 0.000 1.010 299 V CB -1.389 30.247 31.823 -0.312 0.000 0.637 299 V HN 0.619 nan 8.190 nan 0.000 0.444 300 A N -0.442 122.275 122.820 -0.170 0.000 1.958 300 A HA -0.320 4.000 4.320 0.000 0.000 0.221 300 A C 2.266 179.853 177.584 0.005 0.000 1.178 300 A CA 2.437 54.533 52.037 0.099 0.000 0.642 300 A CB -0.506 18.668 19.000 0.289 0.000 0.816 300 A HN 0.595 nan 8.150 nan 0.000 0.453 301 K N -1.351 119.034 120.400 -0.025 0.000 2.103 301 K HA -0.012 4.308 4.320 0.000 0.000 0.204 301 K C 1.861 178.427 176.600 -0.056 0.000 1.052 301 K CA 0.990 57.266 56.287 -0.019 0.000 0.945 301 K CB -0.259 32.236 32.500 -0.008 0.000 0.722 301 K HN 0.446 nan 8.250 nan 0.000 0.443 302 G N 0.344 109.083 108.800 -0.101 0.000 3.042 302 G HA2 0.093 4.053 3.960 0.000 0.000 0.212 302 G HA3 0.093 4.053 3.960 0.000 0.000 0.212 302 G C 0.241 175.054 174.900 -0.145 0.000 1.166 302 G CA -0.140 44.900 45.100 -0.100 0.000 0.767 302 G HN -0.038 nan 8.290 nan 0.000 0.546 303 V N -0.272 119.502 119.914 -0.233 0.000 2.966 303 V HA 0.341 4.461 4.120 0.000 0.000 0.317 303 V C 0.596 176.627 176.094 -0.104 0.000 1.070 303 V CA -1.101 60.995 62.300 -0.340 0.000 1.008 303 V CB 1.673 32.859 31.823 -1.063 0.000 1.070 303 V HN 0.429 nan 8.190 nan 0.000 0.457 304 H N 0.643 119.663 119.070 -0.084 0.000 2.503 304 H HA 0.077 4.633 4.556 0.000 0.000 0.375 304 H C 1.196 176.675 175.328 0.252 0.000 1.801 304 H CA 0.883 56.978 56.048 0.079 0.000 1.450 304 H CB 0.552 30.363 29.762 0.082 0.000 1.601 304 H HN 0.690 nan 8.280 nan 0.000 0.581 305 Q N 0.112 119.648 119.800 -0.439 0.000 1.856 305 Q HA 0.009 4.349 4.340 0.000 0.000 0.233 305 Q C -1.475 174.678 176.000 0.255 0.000 0.995 305 Q CA 0.612 56.366 55.803 -0.082 0.000 0.877 305 Q CB -1.410 27.163 28.738 -0.275 0.000 0.937 305 Q HN 0.538 nan 8.270 nan 0.000 0.423 306 P HA 0.053 nan 4.420 nan 0.000 0.271 306 P C -1.054 176.434 177.300 0.312 0.000 1.233 306 P CA 0.619 63.860 63.100 0.236 0.000 0.764 306 P CB -0.023 31.789 31.700 0.186 0.000 0.825 307 F N 0.370 120.361 119.950 0.068 0.000 2.780 307 F HA 0.542 5.069 4.527 0.000 0.000 0.320 307 F C -2.499 173.323 175.800 0.035 0.000 1.118 307 F CA -1.011 57.003 58.000 0.023 0.000 0.964 307 F CB 0.920 39.910 39.000 -0.015 0.000 1.249 307 F HN 0.134 nan 8.300 nan 0.000 0.455 308 D N 2.110 122.625 120.400 0.192 0.000 2.756 308 D HA 0.786 5.426 4.640 0.000 0.000 0.226 308 D C -1.856 174.610 176.300 0.277 0.000 1.186 308 D CA -0.365 53.746 54.000 0.184 0.000 0.845 308 D CB 2.943 43.806 40.800 0.106 0.000 1.610 308 D HN 0.695 nan 8.370 nan 0.000 0.465 309 V N 1.224 121.331 119.914 0.322 0.000 3.077 309 V HA 0.650 4.770 4.120 0.000 0.000 0.299 309 V C -1.030 175.227 176.094 0.271 0.000 1.276 309 V CA -0.622 61.852 62.300 0.289 0.000 0.993 309 V CB 2.111 34.072 31.823 0.231 0.000 1.076 309 V HN 0.629 nan 8.190 nan 0.000 0.434 310 S N 2.516 118.366 115.700 0.250 0.000 2.533 310 S HA 0.823 5.293 4.470 0.000 0.000 0.271 310 S C -0.486 174.247 174.600 0.221 0.000 1.143 310 S CA 0.172 58.487 58.200 0.191 0.000 0.891 310 S CB 1.763 65.036 63.200 0.122 0.000 1.105 310 S HN 1.735 nan 8.310 nan 0.000 0.468 311 A N 3.203 126.105 122.820 0.138 0.000 2.477 311 A HA 0.578 4.898 4.320 0.000 0.000 0.246 311 A C -0.600 177.051 177.584 0.111 0.000 1.078 311 A CA -0.052 52.040 52.037 0.090 0.000 0.770 311 A CB -0.236 18.777 19.000 0.022 0.000 1.011 311 A HN 0.966 nan 8.150 nan 0.000 0.494 312 F N 2.600 122.487 119.950 -0.106 0.000 2.458 312 F HA 0.611 5.138 4.527 0.000 0.000 0.336 312 F C -0.282 175.443 175.800 -0.125 0.000 1.114 312 F CA -1.083 56.881 58.000 -0.060 0.000 0.987 312 F CB 1.592 40.603 39.000 0.019 0.000 1.130 312 F HN 0.622 nan 8.300 nan 0.000 0.458 313 N N 4.190 122.463 118.700 -0.710 0.000 2.478 313 N HA 0.669 5.409 4.740 0.000 0.000 0.291 313 N C -2.134 173.032 175.510 -0.572 0.000 1.090 313 N CA -0.332 52.443 53.050 -0.458 0.000 0.911 313 N CB 1.877 40.345 38.487 -0.032 0.000 1.546 313 N HN 0.806 nan 8.380 nan 0.000 0.500 314 A N 2.243 124.780 122.820 -0.472 0.000 2.353 314 A HA 0.687 5.007 4.320 0.000 0.000 0.299 314 A C -0.819 176.610 177.584 -0.260 0.000 1.089 314 A CA -0.567 51.267 52.037 -0.339 0.000 0.736 314 A CB 0.732 19.652 19.000 -0.134 0.000 1.195 314 A HN 0.772 nan 8.150 nan 0.000 0.447 315 S N 2.351 117.799 115.700 -0.420 0.000 2.521 315 S HA 0.886 5.356 4.470 0.000 0.000 0.295 315 S C -1.070 173.225 174.600 -0.508 0.000 1.098 315 S CA -0.412 57.611 58.200 -0.295 0.000 0.999 315 S CB 0.818 63.932 63.200 -0.144 0.000 1.034 315 S HN 0.580 nan 8.310 nan 0.000 0.483 316 Y N 0.732 121.055 120.300 0.037 0.000 2.698 316 Y HA 0.480 5.030 4.550 0.000 0.000 0.332 316 Y C 1.965 177.882 175.900 0.028 0.000 1.119 316 Y CA -0.479 57.642 58.100 0.034 0.000 1.109 316 Y CB 1.182 39.656 38.460 0.024 0.000 1.308 316 Y HN 0.776 nan 8.280 nan 0.000 0.499 317 S N -0.223 115.597 115.700 0.200 0.000 2.359 317 S HA -0.214 4.256 4.470 0.000 0.000 0.224 317 S C 0.836 175.494 174.600 0.096 0.000 1.035 317 S CA 2.143 60.412 58.200 0.116 0.000 1.018 317 S CB -0.444 62.819 63.200 0.105 0.000 0.876 317 S HN 0.806 nan 8.310 nan 0.000 0.448 318 D N -0.233 120.227 120.400 0.100 0.000 2.407 318 D HA 0.424 5.064 4.640 0.000 0.000 0.208 318 D C 0.750 177.120 176.300 0.116 0.000 1.083 318 D CA 0.083 54.136 54.000 0.087 0.000 0.844 318 D CB 0.242 41.080 40.800 0.064 0.000 0.967 318 D HN 0.392 nan 8.370 nan 0.000 0.506 319 S N -1.868 113.927 115.700 0.158 0.000 2.790 319 S HA 0.758 5.228 4.470 0.000 0.000 0.292 319 S C -0.926 173.792 174.600 0.197 0.000 1.197 319 S CA -0.270 58.048 58.200 0.196 0.000 0.851 319 S CB 1.521 64.950 63.200 0.381 0.000 1.217 319 S HN 0.331 nan 8.310 nan 0.000 0.526 320 G N -0.048 108.845 108.800 0.154 0.000 2.721 320 G HA2 0.700 4.660 3.960 0.000 0.000 0.296 320 G HA3 0.700 4.660 3.960 0.000 0.000 0.296 320 G C -2.315 172.638 174.900 0.088 0.000 1.383 320 G CA -0.558 44.614 45.100 0.120 0.000 0.788 320 G HN 0.699 nan 8.290 nan 0.000 0.500 321 L N 0.155 121.414 121.223 0.059 0.000 2.470 321 L HA 0.608 4.948 4.340 0.000 0.000 0.268 321 L C -1.554 175.343 176.870 0.045 0.000 0.964 321 L CA -0.636 54.228 54.840 0.040 0.000 0.839 321 L CB 2.367 44.541 42.059 0.191 0.000 1.276 321 L HN 0.574 nan 8.230 nan 0.000 0.403 322 F N 2.304 122.210 119.950 -0.074 0.000 2.576 322 F HA 0.939 5.466 4.527 0.000 0.000 0.313 322 F C 0.090 176.072 175.800 0.302 0.000 1.078 322 F CA 0.026 58.032 58.000 0.010 0.000 0.921 322 F CB 2.182 41.105 39.000 -0.129 0.000 1.232 322 F HN 0.538 nan 8.300 nan 0.000 0.459 323 G N 3.215 111.453 108.800 -0.936 0.000 2.441 323 G HA2 0.342 4.302 3.960 0.000 0.000 0.222 323 G HA3 0.342 4.302 3.960 0.000 0.000 0.222 323 G C -1.848 172.832 174.900 -0.366 0.000 1.254 323 G CA -0.150 44.648 45.100 -0.503 0.000 0.959 323 G HN 1.171 nan 8.290 nan 0.000 0.474 324 F N -1.782 118.104 119.950 -0.107 0.000 2.650 324 F HA 0.891 5.418 4.527 0.000 0.000 0.320 324 F C -1.394 174.477 175.800 0.118 0.000 1.091 324 F CA -1.934 56.062 58.000 -0.006 0.000 0.962 324 F CB 1.824 40.785 39.000 -0.064 0.000 1.363 324 F HN 0.648 nan 8.300 nan 0.000 0.482 325 Y N 1.402 121.855 120.300 0.254 0.000 2.361 325 Y HA 0.607 5.157 4.550 0.000 0.000 0.337 325 Y C -0.507 175.513 175.900 0.201 0.000 0.965 325 Y CA -0.764 57.405 58.100 0.115 0.000 1.091 325 Y CB 1.704 40.194 38.460 0.049 0.000 1.182 325 Y HN 0.943 nan 8.280 nan 0.000 0.450 326 T N 3.866 118.520 114.554 0.167 0.000 2.940 326 T HA 0.745 5.095 4.350 0.000 0.000 0.288 326 T C -0.693 174.059 174.700 0.086 0.000 1.033 326 T CA -0.772 61.443 62.100 0.192 0.000 1.033 326 T CB 1.753 70.719 68.868 0.165 0.000 1.079 326 T HN 0.539 nan 8.240 nan 0.000 0.496 327 I N 2.590 123.206 120.570 0.075 0.000 2.560 327 I HA 0.310 4.480 4.170 0.000 0.000 0.278 327 I C 0.118 176.256 176.117 0.035 0.000 1.089 327 I CA -0.503 60.758 61.300 -0.065 0.000 1.086 327 I CB 1.418 39.322 38.000 -0.160 0.000 1.202 327 I HN 0.979 nan 8.210 nan 0.000 0.471 328 S N 4.602 120.320 115.700 0.030 0.000 2.795 328 S HA 0.649 5.119 4.470 0.000 0.000 0.308 328 S C -0.506 174.114 174.600 0.033 0.000 1.098 328 S CA -0.861 57.371 58.200 0.055 0.000 0.934 328 S CB 1.635 64.849 63.200 0.024 0.000 1.300 328 S HN 0.501 nan 8.310 nan 0.000 0.566 329 Q N -0.559 119.251 119.800 0.016 0.000 2.204 329 Q HA 0.642 4.982 4.340 0.000 0.000 0.254 329 Q C 1.370 177.348 176.000 -0.037 0.000 0.981 329 Q CA -0.597 55.196 55.803 -0.017 0.000 0.897 329 Q CB 1.288 29.995 28.738 -0.051 0.000 1.273 329 Q HN 0.816 nan 8.270 nan 0.000 0.464 330 A N 1.382 124.159 122.820 -0.071 0.000 1.879 330 A HA -0.345 3.975 4.320 0.000 0.000 0.222 330 A C 1.966 179.437 177.584 -0.188 0.000 1.368 330 A CA 2.932 54.881 52.037 -0.145 0.000 0.707 330 A CB -1.481 17.409 19.000 -0.184 0.000 0.846 330 A HN 0.874 nan 8.150 nan 0.000 0.468 331 A N -1.733 121.007 122.820 -0.134 0.000 2.168 331 A HA 0.169 4.489 4.320 0.000 0.000 0.215 331 A C 2.176 179.903 177.584 0.238 0.000 1.152 331 A CA 1.753 53.897 52.037 0.179 0.000 0.716 331 A CB -0.461 18.666 19.000 0.213 0.000 0.794 331 A HN 0.560 nan 8.150 nan 0.000 0.465 332 S N -0.347 115.396 115.700 0.073 0.000 2.486 332 S HA 0.285 4.755 4.470 0.000 0.000 0.220 332 S C 2.156 176.773 174.600 0.027 0.000 1.011 332 S CA 0.565 58.788 58.200 0.038 0.000 0.921 332 S CB -0.221 62.978 63.200 -0.001 0.000 0.785 332 S HN 0.832 nan 8.310 nan 0.000 0.517 333 A N 2.300 125.142 122.820 0.038 0.000 1.865 333 A HA -0.305 4.015 4.320 0.000 0.000 0.244 333 A C 2.303 179.905 177.584 0.030 0.000 1.984 333 A CA 2.453 54.509 52.037 0.033 0.000 0.785 333 A CB -1.880 17.148 19.000 0.048 0.000 0.849 333 A HN 0.562 nan 8.150 nan 0.000 0.501 334 G N -1.167 107.663 108.800 0.049 0.000 2.459 334 G HA2 -0.257 3.703 3.960 0.000 0.000 0.217 334 G HA3 -0.257 3.703 3.960 0.000 0.000 0.217 334 G C 1.159 176.061 174.900 0.004 0.000 1.183 334 G CA 1.325 46.441 45.100 0.027 0.000 0.776 334 G HN 0.600 nan 8.290 nan 0.000 0.552 335 D N 0.399 120.792 120.400 -0.012 0.000 2.104 335 D HA -0.125 4.515 4.640 0.000 0.000 0.194 335 D C 2.809 179.062 176.300 -0.078 0.000 0.994 335 D CA 1.368 55.342 54.000 -0.044 0.000 0.830 335 D CB -0.567 40.203 40.800 -0.049 0.000 0.959 335 D HN 0.256 nan 8.370 nan 0.000 0.452 336 V N 1.333 121.185 119.914 -0.103 0.000 2.270 336 V HA -0.213 3.907 4.120 0.000 0.000 0.245 336 V C 2.636 178.696 176.094 -0.056 0.000 1.043 336 V CA 1.075 63.282 62.300 -0.155 0.000 1.014 336 V CB -0.527 31.200 31.823 -0.160 0.000 0.645 336 V HN 0.098 nan 8.190 nan 0.000 0.447 337 I N 0.409 121.004 120.570 0.042 0.000 2.113 337 I HA -0.337 3.833 4.170 0.000 0.000 0.242 337 I C 2.610 178.834 176.117 0.178 0.000 1.064 337 I CA 2.118 63.523 61.300 0.176 0.000 1.320 337 I CB -0.452 37.632 38.000 0.140 0.000 1.028 337 I HN 0.349 nan 8.210 nan 0.000 0.406 338 K N 0.864 121.317 120.400 0.087 0.000 2.103 338 K HA 0.012 4.332 4.320 0.000 0.000 0.204 338 K C 2.264 178.908 176.600 0.073 0.000 1.052 338 K CA 1.217 57.563 56.287 0.098 0.000 0.945 338 K CB -0.418 32.107 32.500 0.042 0.000 0.722 338 K HN 0.292 nan 8.250 nan 0.000 0.443 339 A N 2.516 125.326 122.820 -0.016 0.000 1.859 339 A HA -0.235 4.085 4.320 0.000 0.000 0.218 339 A C 2.590 180.104 177.584 -0.117 0.000 1.209 339 A CA 2.436 54.429 52.037 -0.073 0.000 0.639 339 A CB -1.134 17.780 19.000 -0.143 0.000 0.835 339 A HN 0.374 nan 8.150 nan 0.000 0.450 340 A N -1.999 120.682 122.820 -0.232 0.000 1.908 340 A HA -0.152 4.168 4.320 0.000 0.000 0.218 340 A C 2.174 179.497 177.584 -0.435 0.000 1.181 340 A CA 1.880 53.617 52.037 -0.501 0.000 0.627 340 A CB -0.890 17.537 19.000 -0.955 0.000 0.818 340 A HN 0.754 nan 8.150 nan 0.000 0.445 341 Y N 1.041 121.189 120.300 -0.253 0.000 2.070 341 Y HA -0.286 4.264 4.550 0.000 0.000 0.280 341 Y C 2.407 178.330 175.900 0.038 0.000 1.148 341 Y CA 2.276 60.422 58.100 0.077 0.000 1.125 341 Y CB -0.373 38.262 38.460 0.292 0.000 0.975 341 Y HN 0.349 nan 8.280 nan 0.000 0.492 342 N N 0.304 119.140 118.700 0.227 0.000 2.049 342 N HA -0.297 4.443 4.740 0.000 0.000 0.198 342 N C 1.857 177.368 175.510 0.002 0.000 1.030 342 N CA 1.928 55.048 53.050 0.117 0.000 0.870 342 N CB -0.694 37.843 38.487 0.084 0.000 1.045 342 N HN 0.470 nan 8.380 nan 0.000 0.434 343 Q N 0.276 120.044 119.800 -0.053 0.000 2.124 343 Q HA 0.009 4.349 4.340 0.000 0.000 0.202 343 Q C 1.621 177.569 176.000 -0.087 0.000 0.977 343 Q CA 0.998 56.760 55.803 -0.068 0.000 0.850 343 Q CB -0.022 28.659 28.738 -0.095 0.000 0.901 343 Q HN 0.228 nan 8.270 nan 0.000 0.429 344 V N 0.571 120.395 119.914 -0.150 0.000 3.041 344 V HA -0.120 4.000 4.120 0.000 0.000 0.260 344 V C 1.997 178.024 176.094 -0.111 0.000 1.105 344 V CA 1.358 63.569 62.300 -0.148 0.000 1.125 344 V CB -0.442 31.227 31.823 -0.257 0.000 0.730 344 V HN 0.283 nan 8.190 nan 0.000 0.479 345 K N 0.051 120.381 120.400 -0.118 0.000 2.057 345 K HA -0.111 4.209 4.320 0.000 0.000 0.206 345 K C 2.311 178.904 176.600 -0.011 0.000 1.050 345 K CA 1.611 57.866 56.287 -0.055 0.000 0.935 345 K CB -0.429 32.069 32.500 -0.004 0.000 0.715 345 K HN 0.409 nan 8.250 nan 0.000 0.439 346 T N 2.178 116.724 114.554 -0.013 0.000 2.684 346 T HA -0.123 4.227 4.350 0.000 0.000 0.267 346 T C 1.922 176.616 174.700 -0.009 0.000 1.036 346 T CA 1.145 63.242 62.100 -0.005 0.000 1.148 346 T CB -0.141 68.722 68.868 -0.007 0.000 0.863 346 T HN 0.152 nan 8.240 nan 0.000 0.436 347 I N 0.966 121.526 120.570 -0.017 0.000 2.315 347 I HA -0.144 4.026 4.170 0.000 0.000 0.248 347 I C 2.725 178.832 176.117 -0.016 0.000 1.117 347 I CA 0.997 62.287 61.300 -0.016 0.000 1.404 347 I CB -0.399 37.590 38.000 -0.018 0.000 1.071 347 I HN 0.193 nan 8.210 nan 0.000 0.419 348 A N -0.387 122.428 122.820 -0.008 0.000 2.119 348 A HA -0.146 4.174 4.320 0.000 0.000 0.217 348 A C 2.035 179.622 177.584 0.006 0.000 1.153 348 A CA 0.844 52.882 52.037 0.002 0.000 0.692 348 A CB -0.373 18.643 19.000 0.027 0.000 0.799 348 A HN 0.454 nan 8.150 nan 0.000 0.458 349 Q N -1.490 118.314 119.800 0.007 0.000 2.322 349 Q HA 0.247 4.587 4.340 0.000 0.000 0.203 349 Q C 1.247 177.249 176.000 0.003 0.000 0.923 349 Q CA 0.381 56.190 55.803 0.010 0.000 0.949 349 Q CB 0.073 28.820 28.738 0.014 0.000 1.039 349 Q HN 0.816 nan 8.270 nan 0.000 0.496 350 G N 1.410 110.207 108.800 -0.004 0.000 2.349 350 G HA2 -0.279 3.681 3.960 0.000 0.000 0.213 350 G HA3 -0.279 3.681 3.960 0.000 0.000 0.213 350 G C 0.350 175.244 174.900 -0.010 0.000 1.044 350 G CA -0.092 45.002 45.100 -0.009 0.000 0.633 350 G HN 0.401 nan 8.290 nan 0.000 0.506 351 N N 0.972 119.668 118.700 -0.005 0.000 2.383 351 N HA 0.333 5.073 4.740 0.000 0.000 0.295 351 N C -0.554 174.953 175.510 -0.006 0.000 1.281 351 N CA 0.751 53.798 53.050 -0.004 0.000 1.048 351 N CB -0.191 38.296 38.487 -0.001 0.000 1.455 351 N HN 1.035 nan 8.380 nan 0.000 0.488 352 L N 1.892 123.111 121.223 -0.008 0.000 2.753 352 L HA 0.339 4.679 4.340 0.000 0.000 0.259 352 L C -1.155 175.710 176.870 -0.008 0.000 0.958 352 L CA -0.235 54.600 54.840 -0.008 0.000 0.955 352 L CB 1.116 43.167 42.059 -0.012 0.000 1.317 352 L HN 0.146 nan 8.230 nan 0.000 0.436 353 S N 3.077 118.775 115.700 -0.004 0.000 2.537 353 S HA 0.279 4.750 4.470 0.000 0.000 0.275 353 S C 1.148 175.745 174.600 -0.005 0.000 1.272 353 S CA -0.340 57.857 58.200 -0.005 0.000 1.050 353 S CB 1.366 64.565 63.200 -0.002 0.000 0.961 353 S HN 0.813 nan 8.310 nan 0.000 0.496 354 N N 4.277 122.972 118.700 -0.009 0.000 2.112 354 N HA -0.171 4.569 4.740 0.000 0.000 0.200 354 N C -1.115 174.390 175.510 -0.008 0.000 1.011 354 N CA 2.186 55.229 53.050 -0.010 0.000 0.891 354 N CB -0.928 37.552 38.487 -0.012 0.000 1.060 354 N HN 0.488 nan 8.380 nan 0.000 0.478 355 P HA -0.163 nan 4.420 nan 0.000 0.218 355 P C 0.264 177.563 177.300 -0.001 0.000 1.154 355 P CA 1.613 64.710 63.100 -0.004 0.000 0.872 355 P CB -0.077 31.622 31.700 -0.001 0.000 0.790 356 D N -1.254 119.148 120.400 0.003 0.000 2.277 356 D HA -0.029 4.611 4.640 0.000 0.000 0.208 356 D C 1.966 178.272 176.300 0.010 0.000 0.962 356 D CA 0.462 54.468 54.000 0.011 0.000 0.865 356 D CB -0.428 40.382 40.800 0.017 0.000 0.939 356 D HN 0.074 nan 8.370 nan 0.000 0.510 357 V N 0.634 120.548 119.914 0.001 0.000 2.788 357 V HA -0.148 3.972 4.120 0.000 0.000 0.251 357 V C 2.364 178.451 176.094 -0.012 0.000 1.068 357 V CA 1.090 63.388 62.300 -0.004 0.000 1.090 357 V CB 0.016 31.830 31.823 -0.014 0.000 0.710 357 V HN 0.045 nan 8.190 nan 0.000 0.467 358 Q N 0.638 120.429 119.800 -0.015 0.000 2.083 358 Q HA -0.027 4.313 4.340 0.000 0.000 0.198 358 Q C 2.151 178.134 176.000 -0.027 0.000 0.969 358 Q CA 1.876 57.666 55.803 -0.022 0.000 0.838 358 Q CB -0.437 28.289 28.738 -0.020 0.000 0.900 358 Q HN 0.551 nan 8.270 nan 0.000 0.436 359 A N 0.736 123.545 122.820 -0.019 0.000 1.865 359 A HA -0.153 4.167 4.320 0.000 0.000 0.217 359 A C 2.337 179.900 177.584 -0.035 0.000 1.191 359 A CA 2.224 54.247 52.037 -0.024 0.000 0.623 359 A CB -1.508 17.488 19.000 -0.007 0.000 0.826 359 A HN 0.542 nan 8.150 nan 0.000 0.444 360 A N -0.215 122.599 122.820 -0.010 0.000 1.869 360 A HA -0.285 4.035 4.320 0.000 0.000 0.218 360 A C 2.146 179.674 177.584 -0.094 0.000 1.203 360 A CA 2.231 54.267 52.037 -0.001 0.000 0.638 360 A CB -0.660 18.373 19.000 0.055 0.000 0.831 360 A HN 0.554 nan 8.150 nan 0.000 0.450 361 K N -0.837 119.523 120.400 -0.067 0.000 2.001 361 K HA -0.190 4.130 4.320 0.000 0.000 0.214 361 K C 1.912 178.446 176.600 -0.110 0.000 1.050 361 K CA 1.554 57.790 56.287 -0.084 0.000 0.934 361 K CB -0.449 32.019 32.500 -0.053 0.000 0.718 361 K HN 0.451 nan 8.250 nan 0.000 0.443 362 N N 1.224 119.873 118.700 -0.086 0.000 2.149 362 N HA -0.160 4.580 4.740 0.000 0.000 0.188 362 N C 1.667 177.106 175.510 -0.119 0.000 1.019 362 N CA 1.159 54.160 53.050 -0.082 0.000 0.857 362 N CB -0.113 38.336 38.487 -0.064 0.000 0.997 362 N HN 0.236 nan 8.380 nan 0.000 0.426 363 K N 0.407 120.709 120.400 -0.163 0.000 1.991 363 K HA -0.149 4.171 4.320 0.000 0.000 0.212 363 K C 1.946 178.364 176.600 -0.304 0.000 1.049 363 K CA 0.864 57.018 56.287 -0.221 0.000 0.932 363 K CB -0.383 32.005 32.500 -0.187 0.000 0.717 363 K HN 0.008 nan 8.250 nan 0.000 0.441 364 L N 2.148 123.059 121.223 -0.520 0.000 1.971 364 L HA -0.275 4.065 4.340 0.000 0.000 0.215 364 L C 1.807 178.619 176.870 -0.097 0.000 1.072 364 L CA 1.990 56.569 54.840 -0.435 0.000 0.758 364 L CB -0.598 41.272 42.059 -0.316 0.000 0.889 364 L HN 0.105 nan 8.230 nan 0.000 0.433 365 K N -0.283 120.075 120.400 -0.069 0.000 2.074 365 K HA -0.143 4.177 4.320 0.000 0.000 0.209 365 K C 2.062 178.695 176.600 0.056 0.000 1.048 365 K CA 1.619 57.912 56.287 0.010 0.000 0.926 365 K CB -0.758 31.736 32.500 -0.010 0.000 0.713 365 K HN 0.464 nan 8.250 nan 0.000 0.444 366 A N 1.622 124.443 122.820 0.002 0.000 1.902 366 A HA -0.075 4.245 4.320 0.000 0.000 0.217 366 A C 2.543 180.156 177.584 0.048 0.000 1.181 366 A CA 1.873 53.917 52.037 0.012 0.000 0.623 366 A CB -1.502 17.477 19.000 -0.034 0.000 0.818 366 A HN 0.426 nan 8.150 nan 0.000 0.443 367 G N -1.399 107.436 108.800 0.057 0.000 2.514 367 G HA2 -0.341 3.619 3.960 0.000 0.000 0.217 367 G HA3 -0.341 3.619 3.960 0.000 0.000 0.217 367 G C 1.573 176.558 174.900 0.140 0.000 1.198 367 G CA 1.369 46.535 45.100 0.110 0.000 0.780 367 G HN 0.602 nan 8.290 nan 0.000 0.565 368 Y N 1.276 121.602 120.300 0.044 0.000 2.193 368 Y HA -0.104 4.446 4.550 0.000 0.000 0.285 368 Y C 2.568 178.501 175.900 0.055 0.000 1.166 368 Y CA 1.564 59.694 58.100 0.049 0.000 1.181 368 Y CB -0.162 38.321 38.460 0.038 0.000 0.976 368 Y HN 0.144 nan 8.280 nan 0.000 0.520 369 L N -0.777 120.518 121.223 0.119 0.000 2.044 369 L HA -0.248 4.092 4.340 0.000 0.000 0.205 369 L C 2.519 179.375 176.870 -0.023 0.000 1.075 369 L CA 1.479 56.337 54.840 0.030 0.000 0.747 369 L CB -0.583 41.536 42.059 0.099 0.000 0.903 369 L HN 0.259 nan 8.230 nan 0.000 0.435 370 M N -0.459 119.147 119.600 0.011 0.000 2.149 370 M HA -0.186 4.294 4.480 0.000 0.000 0.261 370 M C 2.461 178.756 176.300 -0.008 0.000 1.064 370 M CA 1.690 56.998 55.300 0.013 0.000 1.102 370 M CB -0.722 31.898 32.600 0.033 0.000 1.369 370 M HN 0.240 nan 8.290 nan 0.000 0.408 371 S N 0.464 116.141 115.700 -0.039 0.000 2.383 371 S HA -0.090 4.380 4.470 0.000 0.000 0.229 371 S C 1.819 176.365 174.600 -0.091 0.000 1.030 371 S CA 1.409 59.571 58.200 -0.063 0.000 1.002 371 S CB -0.543 62.596 63.200 -0.102 0.000 0.829 371 S HN 0.357 nan 8.310 nan 0.000 0.467 372 V N 2.429 122.253 119.914 -0.150 0.000 3.608 372 V HA 0.023 4.143 4.120 0.000 0.000 0.269 372 V C 2.106 178.239 176.094 0.065 0.000 1.245 372 V CA 0.885 63.150 62.300 -0.059 0.000 1.138 372 V CB -0.780 30.948 31.823 -0.158 0.000 0.841 372 V HN 0.676 nan 8.190 nan 0.000 0.451 373 E N 1.779 121.997 120.200 0.031 0.000 2.533 373 E HA -0.060 4.290 4.350 0.000 0.000 0.201 373 E C 0.786 177.408 176.600 0.037 0.000 1.097 373 E CA 0.609 57.032 56.400 0.040 0.000 0.887 373 E CB 0.041 29.758 29.700 0.028 0.000 0.855 373 E HN 0.614 nan 8.360 nan 0.000 0.540 374 S N -0.322 115.408 115.700 0.051 0.000 2.548 374 S HA 0.279 4.749 4.470 0.000 0.000 0.286 374 S C 0.889 175.528 174.600 0.064 0.000 1.098 374 S CA -0.220 58.004 58.200 0.040 0.000 0.930 374 S CB 1.751 64.971 63.200 0.034 0.000 1.070 374 S HN 0.196 nan 8.310 nan 0.000 0.480 375 S N 1.596 117.312 115.700 0.025 0.000 2.359 375 S HA -0.255 4.215 4.470 0.000 0.000 0.222 375 S C 1.562 176.221 174.600 0.099 0.000 1.038 375 S CA 1.647 59.870 58.200 0.037 0.000 1.051 375 S CB -1.173 62.020 63.200 -0.012 0.000 0.944 375 S HN 0.892 nan 8.310 nan 0.000 0.433 376 E N 1.353 121.589 120.200 0.060 0.000 2.118 376 E HA -0.104 4.246 4.350 0.000 0.000 0.195 376 E C 2.161 178.807 176.600 0.076 0.000 0.992 376 E CA 1.207 57.643 56.400 0.061 0.000 0.804 376 E CB -0.917 28.802 29.700 0.031 0.000 0.741 376 E HN 0.687 nan 8.360 nan 0.000 0.458 377 G N 0.703 109.545 108.800 0.070 0.000 2.453 377 G HA2 -0.308 3.652 3.960 0.000 0.000 0.215 377 G HA3 -0.308 3.652 3.960 0.000 0.000 0.215 377 G C 1.363 176.300 174.900 0.062 0.000 1.201 377 G CA 0.704 45.834 45.100 0.051 0.000 0.784 377 G HN 0.381 nan 8.290 nan 0.000 0.545 378 F N 0.939 120.863 119.950 -0.043 0.000 2.063 378 F HA -0.165 4.362 4.527 0.000 0.000 0.298 378 F C 2.410 178.174 175.800 -0.059 0.000 1.109 378 F CA 1.884 59.845 58.000 -0.065 0.000 1.212 378 F CB -0.335 38.628 39.000 -0.063 0.000 0.973 378 F HN 0.119 nan 8.300 nan 0.000 0.480 379 L N 0.392 121.726 121.223 0.186 0.000 2.079 379 L HA -0.230 4.110 4.340 0.000 0.000 0.210 379 L C 2.116 179.056 176.870 0.116 0.000 1.081 379 L CA 2.256 57.178 54.840 0.137 0.000 0.752 379 L CB -0.958 41.216 42.059 0.193 0.000 0.896 379 L HN 0.208 nan 8.230 nan 0.000 0.433 380 D N -0.621 119.858 120.400 0.131 0.000 2.078 380 D HA -0.256 4.384 4.640 0.000 0.000 0.193 380 D C 2.066 178.320 176.300 -0.077 0.000 0.990 380 D CA 1.365 55.467 54.000 0.170 0.000 0.827 380 D CB 0.042 40.928 40.800 0.143 0.000 0.975 380 D HN 0.382 nan 8.370 nan 0.000 0.451 381 E N -0.038 120.077 120.200 -0.142 0.000 2.114 381 E HA -0.156 4.194 4.350 0.000 0.000 0.199 381 E C 2.155 178.594 176.600 -0.268 0.000 1.008 381 E CA 1.246 57.533 56.400 -0.189 0.000 0.810 381 E CB -0.314 29.255 29.700 -0.220 0.000 0.739 381 E HN 0.184 nan 8.360 nan 0.000 0.456 382 V N -0.228 119.409 119.914 -0.462 0.000 2.307 382 V HA -0.149 3.971 4.120 0.000 0.000 0.245 382 V C 2.303 178.144 176.094 -0.422 0.000 1.045 382 V CA 1.892 63.890 62.300 -0.503 0.000 1.024 382 V CB -1.110 30.332 31.823 -0.635 0.000 0.651 382 V HN 0.487 nan 8.190 nan 0.000 0.449 383 G N -0.476 107.950 108.800 -0.623 0.000 2.418 383 G HA2 -0.228 3.732 3.960 0.000 0.000 0.217 383 G HA3 -0.228 3.732 3.960 0.000 0.000 0.217 383 G C 1.840 176.166 174.900 -0.958 0.000 1.158 383 G CA 1.184 45.547 45.100 -1.229 0.000 0.771 383 G HN 0.498 nan 8.290 nan 0.000 0.545 384 S N 0.523 115.824 115.700 -0.665 0.000 2.353 384 S HA -0.175 4.295 4.470 0.000 0.000 0.222 384 S C 2.398 176.884 174.600 -0.190 0.000 1.035 384 S CA 1.551 59.572 58.200 -0.298 0.000 1.025 384 S CB -0.357 62.761 63.200 -0.136 0.000 0.902 384 S HN 0.532 nan 8.310 nan 0.000 0.440 385 Q N 0.872 120.579 119.800 -0.155 0.000 2.061 385 Q HA -0.137 4.203 4.340 0.000 0.000 0.204 385 Q C 2.601 178.530 176.000 -0.118 0.000 0.984 385 Q CA 1.377 57.129 55.803 -0.085 0.000 0.846 385 Q CB -0.536 28.202 28.738 -0.000 0.000 0.902 385 Q HN 0.586 nan 8.270 nan 0.000 0.421 386 A N 1.398 124.120 122.820 -0.165 0.000 1.929 386 A HA -0.235 4.085 4.320 0.000 0.000 0.221 386 A C 2.047 179.563 177.584 -0.113 0.000 1.211 386 A CA 1.766 53.713 52.037 -0.149 0.000 0.657 386 A CB -0.916 17.976 19.000 -0.181 0.000 0.827 386 A HN 0.354 nan 8.150 nan 0.000 0.462 387 L N -1.981 119.173 121.223 -0.115 0.000 2.492 387 L HA 0.031 4.371 4.340 0.000 0.000 0.223 387 L C 2.721 179.576 176.870 -0.026 0.000 1.132 387 L CA 0.568 55.377 54.840 -0.053 0.000 0.850 387 L CB -0.366 41.675 42.059 -0.030 0.000 0.966 387 L HN 0.497 nan 8.230 nan 0.000 0.454 388 A N -0.208 122.588 122.820 -0.041 0.000 1.909 388 A HA 0.285 4.605 4.320 0.000 0.000 0.210 388 A C 2.325 179.889 177.584 -0.033 0.000 1.273 388 A CA 0.967 52.992 52.037 -0.020 0.000 0.654 388 A CB -0.359 18.631 19.000 -0.017 0.000 0.945 388 A HN 0.241 nan 8.150 nan 0.000 0.471 389 A N -2.286 120.498 122.820 -0.060 0.000 1.901 389 A HA 0.445 4.765 4.320 0.000 0.000 0.210 389 A C 1.816 179.340 177.584 -0.100 0.000 1.208 389 A CA 1.683 53.673 52.037 -0.078 0.000 0.644 389 A CB -0.372 18.569 19.000 -0.098 0.000 0.863 389 A HN 1.821 nan 8.150 nan 0.000 0.454 390 G N -1.771 106.949 108.800 -0.133 0.000 2.227 390 G HA2 0.032 3.992 3.960 0.000 0.000 0.168 390 G HA3 0.032 3.992 3.960 0.000 0.000 0.168 390 G C 0.327 175.054 174.900 -0.289 0.000 1.006 390 G CA 0.727 45.739 45.100 -0.147 0.000 0.684 390 G HN 1.760 nan 8.290 nan 0.000 0.489 391 S N -1.295 114.153 115.700 -0.421 0.000 2.880 391 S HA 0.702 5.172 4.470 0.000 0.000 0.308 391 S C -1.297 173.021 174.600 -0.470 0.000 1.195 391 S CA -0.772 56.863 58.200 -0.943 0.000 0.866 391 S CB 1.966 64.446 63.200 -1.200 0.000 1.254 391 S HN 1.350 nan 8.310 nan 0.000 0.571 392 Y N 2.139 122.077 120.300 -0.605 0.000 2.478 392 Y HA 0.540 5.090 4.550 0.000 0.000 0.329 392 Y C -0.218 175.697 175.900 0.025 0.000 0.967 392 Y CA -0.812 57.240 58.100 -0.079 0.000 1.255 392 Y CB 0.512 39.110 38.460 0.230 0.000 1.103 392 Y HN 0.767 nan 8.280 nan 0.000 0.497 393 T N 9.487 123.749 114.554 -0.487 0.000 2.888 393 T HA 0.201 4.551 4.350 0.000 0.000 0.301 393 T C -2.433 171.646 174.700 -1.036 0.000 1.001 393 T CA -0.696 61.075 62.100 -0.549 0.000 1.147 393 T CB 0.515 69.211 68.868 -0.286 0.000 0.931 393 T HN 0.450 nan 8.240 nan 0.000 0.541 394 P HA 0.234 nan 4.420 nan 0.000 0.276 394 P C -1.938 175.286 177.300 -0.126 0.000 1.252 394 P CA -1.801 61.056 63.100 -0.405 0.000 0.802 394 P CB 0.118 31.759 31.700 -0.097 0.000 1.035 395 P HA -0.188 nan 4.420 nan 0.000 0.215 395 P C 1.364 178.720 177.300 0.093 0.000 1.157 395 P CA 1.878 65.109 63.100 0.219 0.000 0.868 395 P CB -0.536 31.340 31.700 0.294 0.000 0.788 396 S N -0.488 115.247 115.700 0.058 0.000 2.368 396 S HA -0.202 4.268 4.470 0.000 0.000 0.226 396 S C 2.011 176.600 174.600 -0.018 0.000 1.044 396 S CA 2.277 60.490 58.200 0.023 0.000 1.062 396 S CB -2.006 61.209 63.200 0.024 0.000 0.931 396 S HN 0.238 nan 8.310 nan 0.000 0.440 397 T N 2.209 116.738 114.554 -0.041 0.000 2.821 397 T HA -0.021 4.329 4.350 0.000 0.000 0.267 397 T C 1.978 176.621 174.700 -0.094 0.000 1.046 397 T CA 1.157 63.218 62.100 -0.065 0.000 1.139 397 T CB -0.525 68.297 68.868 -0.077 0.000 0.871 397 T HN 0.214 nan 8.240 nan 0.000 0.454 398 V N 1.705 121.545 119.914 -0.123 0.000 2.287 398 V HA -0.166 3.954 4.120 0.000 0.000 0.248 398 V C 2.476 178.450 176.094 -0.201 0.000 1.053 398 V CA 1.616 63.788 62.300 -0.215 0.000 1.027 398 V CB -0.728 30.884 31.823 -0.351 0.000 0.646 398 V HN 0.445 nan 8.190 nan 0.000 0.447 399 L N -0.587 120.558 121.223 -0.131 0.000 2.079 399 L HA -0.253 4.087 4.340 0.000 0.000 0.210 399 L C 2.662 179.487 176.870 -0.075 0.000 1.081 399 L CA 1.617 56.404 54.840 -0.089 0.000 0.752 399 L CB -0.660 41.386 42.059 -0.023 0.000 0.896 399 L HN 0.392 nan 8.230 nan 0.000 0.433 400 Q N -0.447 119.314 119.800 -0.066 0.000 2.079 400 Q HA -0.235 4.105 4.340 0.000 0.000 0.200 400 Q C 2.296 178.258 176.000 -0.063 0.000 0.974 400 Q CA 1.428 57.199 55.803 -0.054 0.000 0.840 400 Q CB -0.150 28.561 28.738 -0.045 0.000 0.898 400 Q HN 0.598 nan 8.270 nan 0.000 0.430 401 Q N 0.415 120.167 119.800 -0.079 0.000 2.050 401 Q HA -0.164 4.176 4.340 0.000 0.000 0.202 401 Q C 2.136 178.091 176.000 -0.076 0.000 0.980 401 Q CA 1.142 56.898 55.803 -0.078 0.000 0.840 401 Q CB -0.177 28.505 28.738 -0.093 0.000 0.898 401 Q HN 0.393 nan 8.270 nan 0.000 0.424 402 I N 1.083 121.598 120.570 -0.092 0.000 2.208 402 I HA -0.284 3.886 4.170 0.000 0.000 0.245 402 I C 2.065 178.145 176.117 -0.061 0.000 1.097 402 I CA 1.079 62.333 61.300 -0.077 0.000 1.363 402 I CB -0.154 37.792 38.000 -0.090 0.000 1.051 402 I HN 0.202 nan 8.210 nan 0.000 0.413 403 D N 0.693 121.058 120.400 -0.058 0.000 2.149 403 D HA -0.165 4.475 4.640 0.000 0.000 0.198 403 D C 2.175 178.448 176.300 -0.044 0.000 0.990 403 D CA 1.386 55.357 54.000 -0.047 0.000 0.839 403 D CB 0.086 40.860 40.800 -0.042 0.000 0.948 403 D HN 0.368 nan 8.370 nan 0.000 0.460 404 A N 0.338 123.130 122.820 -0.047 0.000 2.070 404 A HA -0.064 4.256 4.320 0.000 0.000 0.220 404 A C 1.251 178.807 177.584 -0.047 0.000 1.159 404 A CA 0.290 52.300 52.037 -0.044 0.000 0.656 404 A CB -0.309 18.665 19.000 -0.044 0.000 0.800 404 A HN 0.091 nan 8.150 nan 0.000 0.453 405 V N 0.503 120.386 119.914 -0.052 0.000 2.694 405 V HA 0.247 4.367 4.120 0.000 0.000 0.306 405 V C 0.918 176.978 176.094 -0.056 0.000 1.054 405 V CA 0.021 62.285 62.300 -0.060 0.000 1.161 405 V CB 0.040 31.825 31.823 -0.064 0.000 0.916 405 V HN 0.527 nan 8.190 nan 0.000 0.490 406 A N 3.687 126.470 122.820 -0.062 0.000 2.327 406 A HA 0.315 4.635 4.320 0.000 0.000 0.283 406 A C 1.119 178.669 177.584 -0.057 0.000 1.127 406 A CA -0.527 51.478 52.037 -0.054 0.000 0.810 406 A CB 0.177 19.145 19.000 -0.053 0.000 1.066 406 A HN 0.926 nan 8.150 nan 0.000 0.492 407 D N 2.157 122.529 120.400 -0.045 0.000 2.149 407 D HA -0.248 4.392 4.640 0.000 0.000 0.194 407 D C 2.059 178.328 176.300 -0.052 0.000 1.001 407 D CA 1.974 55.948 54.000 -0.043 0.000 0.849 407 D CB -0.158 40.623 40.800 -0.031 0.000 0.939 407 D HN 0.657 nan 8.370 nan 0.000 0.449 408 A N 1.468 124.257 122.820 -0.051 0.000 1.841 408 A HA -0.219 4.101 4.320 0.000 0.000 0.214 408 A C 1.978 179.513 177.584 -0.081 0.000 1.195 408 A CA 1.732 53.735 52.037 -0.056 0.000 0.611 408 A CB -0.724 18.247 19.000 -0.047 0.000 0.835 408 A HN 0.094 nan 8.150 nan 0.000 0.443 409 D N -0.234 120.112 120.400 -0.090 0.000 2.569 409 D HA -0.233 4.407 4.640 0.000 0.000 0.191 409 D C 2.006 178.198 176.300 -0.180 0.000 1.042 409 D CA 2.483 56.407 54.000 -0.127 0.000 0.873 409 D CB -0.261 40.470 40.800 -0.115 0.000 0.946 409 D HN 0.180 nan 8.370 nan 0.000 0.467 410 V N 1.914 121.730 119.914 -0.163 0.000 2.231 410 V HA -0.303 3.817 4.120 0.000 0.000 0.250 410 V C 2.694 178.684 176.094 -0.174 0.000 1.058 410 V CA 1.999 64.190 62.300 -0.182 0.000 1.022 410 V CB -0.594 31.165 31.823 -0.107 0.000 0.640 410 V HN 0.303 nan 8.190 nan 0.000 0.445 411 I N 0.417 120.919 120.570 -0.113 0.000 2.113 411 I HA -0.351 3.819 4.170 0.000 0.000 0.242 411 I C 2.512 178.568 176.117 -0.102 0.000 1.064 411 I CA 2.516 63.764 61.300 -0.086 0.000 1.320 411 I CB -0.947 37.018 38.000 -0.059 0.000 1.028 411 I HN 0.453 nan 8.210 nan 0.000 0.406 412 N N 1.299 119.928 118.700 -0.118 0.000 2.018 412 N HA -0.186 4.554 4.740 0.000 0.000 0.196 412 N C 1.850 177.263 175.510 -0.163 0.000 1.043 412 N CA 2.273 55.253 53.050 -0.116 0.000 0.856 412 N CB -0.320 38.097 38.487 -0.117 0.000 1.042 412 N HN 0.355 nan 8.380 nan 0.000 0.423 413 A N 0.389 123.021 122.820 -0.313 0.000 1.917 413 A HA -0.082 4.238 4.320 0.000 0.000 0.219 413 A C 2.392 179.818 177.584 -0.264 0.000 1.182 413 A CA 2.461 54.170 52.037 -0.547 0.000 0.633 413 A CB -1.389 16.904 19.000 -1.179 0.000 0.819 413 A HN 0.498 nan 8.150 nan 0.000 0.448 414 A N -0.573 122.128 122.820 -0.200 0.000 1.940 414 A HA -0.202 4.118 4.320 0.000 0.000 0.219 414 A C 2.103 179.725 177.584 0.064 0.000 1.176 414 A CA 1.894 53.903 52.037 -0.047 0.000 0.631 414 A CB -0.465 18.500 19.000 -0.058 0.000 0.814 414 A HN 0.545 nan 8.150 nan 0.000 0.446 415 K N -0.606 119.804 120.400 0.016 0.000 2.211 415 K HA -0.140 4.180 4.320 0.000 0.000 0.204 415 K C 2.107 178.762 176.600 0.090 0.000 1.047 415 K CA 1.385 57.699 56.287 0.045 0.000 0.935 415 K CB -0.102 32.404 32.500 0.010 0.000 0.728 415 K HN 0.445 nan 8.250 nan 0.000 0.452 416 K N 0.062 120.526 120.400 0.107 0.000 2.103 416 K HA -0.117 4.203 4.320 0.000 0.000 0.204 416 K C 1.966 178.686 176.600 0.200 0.000 1.052 416 K CA 0.847 57.221 56.287 0.144 0.000 0.945 416 K CB -0.089 32.528 32.500 0.194 0.000 0.722 416 K HN 0.025 nan 8.250 nan 0.000 0.443 417 F N 1.658 121.696 119.950 0.147 0.000 2.046 417 F HA -0.262 4.265 4.527 0.000 0.000 0.297 417 F C 1.851 177.729 175.800 0.130 0.000 1.123 417 F CA 1.680 59.792 58.000 0.186 0.000 1.199 417 F CB -0.475 38.703 39.000 0.298 0.000 0.972 417 F HN -0.228 nan 8.300 nan 0.000 0.474 418 V N -1.496 118.630 119.914 0.353 0.000 2.453 418 V HA -0.251 3.869 4.120 0.000 0.000 0.252 418 V C 1.575 177.745 176.094 0.127 0.000 1.068 418 V CA 1.864 64.290 62.300 0.209 0.000 1.070 418 V CB -1.232 30.679 31.823 0.146 0.000 0.664 418 V HN 0.391 nan 8.190 nan 0.000 0.461 419 S N 0.407 116.161 115.700 0.090 0.000 2.256 419 S HA 0.650 5.120 4.470 0.000 0.000 0.210 419 S C 0.143 174.763 174.600 0.033 0.000 1.329 419 S CA 0.137 58.373 58.200 0.061 0.000 1.267 419 S CB 0.097 63.334 63.200 0.061 0.000 1.086 419 S HN 0.773 nan 8.310 nan 0.000 0.468 420 G N 1.051 109.847 108.800 -0.007 0.000 2.731 420 G HA2 0.466 4.426 3.960 0.000 0.000 0.298 420 G HA3 0.466 4.426 3.960 0.000 0.000 0.298 420 G C -0.955 173.915 174.900 -0.051 0.000 1.424 420 G CA -0.998 44.081 45.100 -0.034 0.000 1.029 420 G HN 0.406 nan 8.290 nan 0.000 0.518 421 R N 1.230 121.743 120.500 0.022 0.000 2.488 421 R HA 0.133 4.473 4.340 0.000 0.000 0.317 421 R C 0.269 176.587 176.300 0.030 0.000 0.941 421 R CA 0.231 56.356 56.100 0.043 0.000 1.076 421 R CB 0.058 30.432 30.300 0.122 0.000 0.917 421 R HN 0.440 nan 8.270 nan 0.000 0.407 422 K N 2.403 122.766 120.400 -0.061 0.000 2.258 422 K HA 0.228 4.548 4.320 0.000 0.000 0.264 422 K C -0.560 175.982 176.600 -0.096 0.000 1.007 422 K CA -0.290 55.938 56.287 -0.099 0.000 0.941 422 K CB 1.197 33.629 32.500 -0.113 0.000 0.966 422 K HN 0.671 nan 8.250 nan 0.000 0.480 423 S N 1.645 117.292 115.700 -0.089 0.000 2.689 423 S HA 0.503 4.973 4.470 0.000 0.000 0.274 423 S C -0.944 173.588 174.600 -0.113 0.000 1.176 423 S CA -1.011 57.115 58.200 -0.123 0.000 1.014 423 S CB 0.603 63.724 63.200 -0.133 0.000 1.071 423 S HN 0.702 nan 8.310 nan 0.000 0.478 424 M N 3.650 123.168 119.600 -0.136 0.000 2.591 424 M HA 0.876 5.356 4.480 0.000 0.000 0.306 424 M C -1.721 174.484 176.300 -0.158 0.000 1.190 424 M CA -0.528 54.675 55.300 -0.161 0.000 0.889 424 M CB 2.142 34.639 32.600 -0.172 0.000 1.728 424 M HN 1.093 nan 8.290 nan 0.000 0.458 425 A N 2.513 125.225 122.820 -0.180 0.000 2.437 425 A HA 0.917 5.237 4.320 0.000 0.000 0.293 425 A C -1.575 175.906 177.584 -0.171 0.000 1.038 425 A CA -0.292 51.654 52.037 -0.151 0.000 0.708 425 A CB 1.328 20.260 19.000 -0.113 0.000 1.251 425 A HN 1.123 nan 8.150 nan 0.000 0.409 426 A N 0.781 123.518 122.820 -0.137 0.000 2.483 426 A HA 1.007 5.327 4.320 0.000 0.000 0.286 426 A C -0.224 177.321 177.584 -0.066 0.000 1.207 426 A CA -0.634 51.330 52.037 -0.121 0.000 0.764 426 A CB 1.585 20.505 19.000 -0.134 0.000 1.341 426 A HN 1.586 nan 8.150 nan 0.000 0.428 427 S N -1.507 114.167 115.700 -0.043 0.000 2.590 427 S HA 0.657 5.127 4.470 0.000 0.000 0.286 427 S C -0.193 174.401 174.600 -0.009 0.000 1.147 427 S CA 0.443 58.626 58.200 -0.029 0.000 0.963 427 S CB 1.024 64.196 63.200 -0.046 0.000 1.124 427 S HN 2.614 nan 8.310 nan 0.000 0.458 428 G N 3.412 112.199 108.800 -0.021 0.000 2.280 428 G HA2 -0.029 3.931 3.960 0.000 0.000 0.277 428 G HA3 -0.029 3.931 3.960 0.000 0.000 0.277 428 G C -1.100 173.783 174.900 -0.028 0.000 1.288 428 G CA -0.909 44.182 45.100 -0.015 0.000 1.075 428 G HN 0.715 nan 8.290 nan 0.000 0.480 429 N N 0.607 119.286 118.700 -0.035 0.000 2.405 429 N HA 0.450 5.190 4.740 0.000 0.000 0.260 429 N C 0.627 176.105 175.510 -0.054 0.000 1.152 429 N CA -0.280 52.740 53.050 -0.050 0.000 0.948 429 N CB 0.085 38.530 38.487 -0.071 0.000 1.111 429 N HN 0.430 nan 8.380 nan 0.000 0.485 430 L N 3.090 124.293 121.223 -0.033 0.000 3.048 430 L HA 0.344 4.684 4.340 0.000 0.000 0.234 430 L C 1.604 178.493 176.870 0.031 0.000 1.318 430 L CA -0.460 54.367 54.840 -0.021 0.000 1.109 430 L CB 0.458 42.490 42.059 -0.044 0.000 1.480 430 L HN 0.633 nan 8.230 nan 0.000 0.495 431 G N -1.582 107.228 108.800 0.018 0.000 2.623 431 G HA2 -0.067 3.893 3.960 0.000 0.000 0.214 431 G HA3 -0.067 3.893 3.960 0.000 0.000 0.214 431 G C 0.907 176.021 174.900 0.356 0.000 1.138 431 G CA 0.095 45.281 45.100 0.144 0.000 0.794 431 G HN 0.624 nan 8.290 nan 0.000 0.535 432 H N -0.168 118.909 119.070 0.012 0.000 2.467 432 H HA 0.228 4.784 4.556 0.000 0.000 0.275 432 H C -0.347 174.979 175.328 -0.004 0.000 1.131 432 H CA -0.436 55.617 56.048 0.009 0.000 0.989 432 H CB 0.702 30.464 29.762 -0.000 0.000 1.696 432 H HN 0.050 nan 8.280 nan 0.000 0.574 433 T N 3.505 118.112 114.554 0.088 0.000 2.821 433 T HA 0.166 4.516 4.350 0.000 0.000 0.307 433 T C -2.381 172.297 174.700 -0.036 0.000 1.034 433 T CA -1.574 60.520 62.100 -0.009 0.000 0.953 433 T CB 1.329 70.140 68.868 -0.095 0.000 0.968 433 T HN 0.128 nan 8.240 nan 0.000 0.462 434 P HA -0.008 nan 4.420 nan 0.000 0.267 434 P C -0.498 176.769 177.300 -0.055 0.000 1.175 434 P CA 0.172 63.290 63.100 0.031 0.000 0.763 434 P CB 0.361 32.057 31.700 -0.006 0.000 0.795 435 F N 0.810 120.734 119.950 -0.044 0.000 2.410 435 F HA 0.216 4.743 4.527 0.000 0.000 0.324 435 F C 2.140 177.897 175.800 -0.072 0.000 1.093 435 F CA -0.457 57.511 58.000 -0.052 0.000 1.028 435 F CB -0.048 38.926 39.000 -0.043 0.000 1.309 435 F HN 0.195 nan 8.300 nan 0.000 0.499 436 I N -0.759 119.888 120.570 0.128 0.000 2.145 436 I HA -0.296 3.874 4.170 0.000 0.000 0.244 436 I C 1.496 177.623 176.117 0.016 0.000 1.075 436 I CA 1.696 63.010 61.300 0.023 0.000 1.332 436 I CB -0.850 37.161 38.000 0.018 0.000 1.033 436 I HN 0.418 nan 8.210 nan 0.000 0.410 437 D N 0.687 121.114 120.400 0.046 0.000 2.310 437 D HA -0.154 4.486 4.640 0.000 0.000 0.212 437 D C 1.946 178.247 176.300 0.000 0.000 0.965 437 D CA 0.970 54.974 54.000 0.007 0.000 0.879 437 D CB -0.310 40.483 40.800 -0.010 0.000 0.921 437 D HN 0.514 nan 8.370 nan 0.000 0.510 438 E N -0.431 119.785 120.200 0.027 0.000 2.427 438 E HA 0.133 4.483 4.350 0.000 0.000 0.196 438 E C 0.567 177.142 176.600 -0.041 0.000 1.028 438 E CA 0.255 56.663 56.400 0.012 0.000 0.864 438 E CB 0.335 30.073 29.700 0.063 0.000 0.813 438 E HN 0.245 nan 8.360 nan 0.000 0.514 439 L N 0.000 121.165 121.223 -0.096 0.000 2.949 439 L HA 0.000 4.340 4.340 0.000 0.000 0.249 439 L CA 0.000 54.715 54.840 -0.209 0.000 0.813 439 L CB 0.000 41.857 42.059 -0.337 0.000 0.961 439 L HN 0.000 nan 8.230 nan 0.000 0.502