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 3ma8_1_B DATA FIRST_RESID 34 DATA SEQUENCE CLGMDKICSP LADNDVTQRK TQIICTIGPS CNNVESLIGL IDKGMSVARL DATA SEQUENCE NFSHGDHESH FKTLQNIREA AKARPHSTVG IMLDTKGPEI RTGMLEGGKP DATA SEQUENCE IELKAGQTLK ITTDYSMLGN SECISCSYSL LPKSVQIGST VLIADGSLST DATA SEQUENCE QVLEIGDDFI VCKVLNSVTI GERKNMNLPG CKVHLPIIGD KDRHDIVDFA DATA SEQUENCE LKYNLDFIAL SFVQNGADVQ LCRQIISENT QYSNGIPSSI KIISKIENLE DATA SEQUENCE GVINFDSICS ESDGIMVARG DLGMEIPPEK IFVAQKCMIS KCNVAGKPVV DATA SEQUENCE TATQMLESMI KSNRPTRAEM TDVANAVLDG SDCVMLSGET ANGAFPFDAV DATA SEQUENCE NVMSRVCAQA ETCIDYPVLY HAIHSSVPKP VAVPEAIACS AVESAHDVNA DATA SEQUENCE KLIITITETG NTARLISKYR PSQTIIACTA KPEVARGLKI ARGVKTYVLN DATA SEQUENCE SIHHSEVVIS NALALAKEES LIESGDFAIA VHGVKXXXXX XCNLMKIVRC DATA SEQUENCE P VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 34 C HA 0.000 nan 4.460 nan 0.000 0.325 34 C C 0.000 174.990 174.990 0.000 0.000 1.270 34 C CA 0.000 59.019 59.018 0.002 0.000 1.963 34 C CB 0.000 27.748 27.740 0.013 0.000 2.134 35 L N 1.992 123.214 121.223 -0.002 0.000 2.313 35 L HA 1.009 5.349 4.340 -0.000 0.000 0.283 35 L C 0.595 177.466 176.870 0.001 0.000 1.013 35 L CA 0.089 54.927 54.840 -0.003 0.000 0.816 35 L CB 1.493 43.547 42.059 -0.008 0.000 1.236 35 L HN 0.808 nan 8.230 nan 0.000 0.419 36 G N 1.304 110.106 108.800 0.003 0.000 2.706 36 G HA2 0.390 4.350 3.960 -0.000 0.000 0.307 36 G HA3 0.390 4.350 3.960 -0.000 0.000 0.307 36 G C 0.220 175.123 174.900 0.003 0.000 1.307 36 G CA -0.575 44.527 45.100 0.004 0.000 0.790 36 G HN 0.229 nan 8.290 nan 0.000 0.503 37 M N 0.368 119.970 119.600 0.004 0.000 2.099 37 M HA 0.003 4.483 4.480 -0.000 0.000 0.262 37 M C 2.541 178.844 176.300 0.004 0.000 1.067 37 M CA 2.535 57.837 55.300 0.003 0.000 1.124 37 M CB -1.348 31.253 32.600 0.003 0.000 1.353 37 M HN 0.835 nan 8.290 nan 0.000 0.410 38 D N 0.330 120.734 120.400 0.006 0.000 2.218 38 D HA -0.096 4.544 4.640 -0.000 0.000 0.204 38 D C 2.111 178.416 176.300 0.009 0.000 0.976 38 D CA 2.118 56.122 54.000 0.008 0.000 0.853 38 D CB -0.631 40.175 40.800 0.010 0.000 0.939 38 D HN 0.545 nan 8.370 nan 0.000 0.481 39 K N -0.070 120.335 120.400 0.009 0.000 2.362 39 K HA 0.253 4.573 4.320 -0.000 0.000 0.200 39 K C 1.966 178.570 176.600 0.007 0.000 1.046 39 K CA 1.147 57.439 56.287 0.009 0.000 0.952 39 K CB -0.594 31.911 32.500 0.008 0.000 0.753 39 K HN 0.694 nan 8.250 nan 0.000 0.466 40 I N -1.187 119.386 120.570 0.004 0.000 2.947 40 I HA -0.099 4.071 4.170 -0.000 0.000 0.263 40 I C 2.271 178.390 176.117 0.003 0.000 1.130 40 I CA 0.246 61.547 61.300 0.002 0.000 1.448 40 I CB 0.232 38.232 38.000 0.000 0.000 1.222 40 I HN 0.300 nan 8.210 nan 0.000 0.453 41 C N 0.969 120.271 119.300 0.003 0.000 2.500 41 C HA 0.126 4.586 4.460 -0.000 0.000 0.279 41 C C 1.871 176.864 174.990 0.004 0.000 1.288 41 C CA 0.299 59.319 59.018 0.003 0.000 1.710 41 C CB -1.335 26.407 27.740 0.003 0.000 2.052 41 C HN 0.525 nan 8.230 nan 0.000 0.488 42 S N 3.516 119.220 115.700 0.006 0.000 2.465 42 S HA 0.460 4.930 4.470 -0.000 0.000 0.280 42 S C -1.590 173.015 174.600 0.008 0.000 1.232 42 S CA -0.721 57.483 58.200 0.007 0.000 1.066 42 S CB -0.434 62.772 63.200 0.009 0.000 0.929 42 S HN 0.396 nan 8.310 nan 0.000 0.494 43 P HA 0.208 nan 4.420 nan 0.000 0.273 43 P C -0.491 176.816 177.300 0.011 0.000 1.250 43 P CA -0.675 62.430 63.100 0.008 0.000 0.793 43 P CB 0.442 32.146 31.700 0.007 0.000 1.011 44 L N 1.118 122.348 121.223 0.012 0.000 2.433 44 L HA 0.358 4.698 4.340 -0.000 0.000 0.275 44 L C 0.305 177.185 176.870 0.016 0.000 1.128 44 L CA -0.228 54.622 54.840 0.016 0.000 0.875 44 L CB -0.579 41.489 42.059 0.016 0.000 1.171 44 L HN 0.498 nan 8.230 nan 0.000 0.463 45 A N 3.933 126.764 122.820 0.018 0.000 2.406 45 A HA 0.152 4.472 4.320 -0.000 0.000 0.243 45 A C 0.928 178.523 177.584 0.018 0.000 1.082 45 A CA -0.107 51.940 52.037 0.017 0.000 0.786 45 A CB 0.080 19.090 19.000 0.018 0.000 1.029 45 A HN 0.841 nan 8.150 nan 0.000 0.495 46 D N 0.891 121.301 120.400 0.015 0.000 2.224 46 D HA -0.094 4.546 4.640 -0.000 0.000 0.205 46 D C 2.131 178.442 176.300 0.018 0.000 0.965 46 D CA 1.521 55.531 54.000 0.016 0.000 0.852 46 D CB -0.316 40.491 40.800 0.013 0.000 0.947 46 D HN 0.773 nan 8.370 nan 0.000 0.494 47 N N 1.320 120.030 118.700 0.017 0.000 2.309 47 N HA -0.146 4.594 4.740 -0.000 0.000 0.182 47 N C 1.565 177.089 175.510 0.023 0.000 1.018 47 N CA 1.218 54.279 53.050 0.018 0.000 0.876 47 N CB -0.360 38.136 38.487 0.015 0.000 0.972 47 N HN 0.080 nan 8.380 nan 0.000 0.434 48 D N -0.098 120.318 120.400 0.026 0.000 2.123 48 D HA -0.094 4.546 4.640 -0.000 0.000 0.200 48 D C 2.420 178.740 176.300 0.033 0.000 0.976 48 D CA 1.809 55.829 54.000 0.033 0.000 0.831 48 D CB -0.210 40.612 40.800 0.035 0.000 0.974 48 D HN 0.527 nan 8.370 nan 0.000 0.469 49 V N -0.796 119.135 119.914 0.029 0.000 2.548 49 V HA -0.110 4.010 4.120 -0.000 0.000 0.249 49 V C 2.181 178.293 176.094 0.030 0.000 1.055 49 V CA 1.585 63.903 62.300 0.030 0.000 1.065 49 V CB -1.095 30.745 31.823 0.028 0.000 0.681 49 V HN -0.021 nan 8.190 nan 0.000 0.462 50 T N 0.755 115.326 114.554 0.027 0.000 2.777 50 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 50 T C 1.530 176.246 174.700 0.027 0.000 1.040 50 T CA 1.879 63.996 62.100 0.027 0.000 1.141 50 T CB -0.347 68.535 68.868 0.023 0.000 0.868 50 T HN 0.655 nan 8.240 nan 0.000 0.444 51 Q N 1.095 120.911 119.800 0.026 0.000 2.296 51 Q HA 0.220 4.560 4.340 -0.000 0.000 0.273 51 Q C 0.311 176.329 176.000 0.030 0.000 0.900 51 Q CA -0.327 55.490 55.803 0.024 0.000 0.993 51 Q CB 0.200 28.950 28.738 0.019 0.000 1.132 51 Q HN 0.328 nan 8.270 nan 0.000 0.439 52 R N 1.182 121.701 120.500 0.033 0.000 2.537 52 R HA 0.021 4.361 4.340 -0.000 0.000 0.280 52 R C 0.429 176.752 176.300 0.037 0.000 1.058 52 R CA 0.315 56.439 56.100 0.039 0.000 1.057 52 R CB 0.598 30.920 30.300 0.036 0.000 0.973 52 R HN 0.105 nan 8.270 nan 0.000 0.438 53 K N 1.655 122.083 120.400 0.048 0.000 2.168 53 K HA 0.053 4.373 4.320 -0.000 0.000 0.201 53 K C 0.178 176.802 176.600 0.039 0.000 1.049 53 K CA 0.653 56.968 56.287 0.046 0.000 0.974 53 K CB 0.257 32.801 32.500 0.072 0.000 0.792 53 K HN 0.556 nan 8.250 nan 0.000 0.463 54 T N 3.428 118.006 114.554 0.040 0.000 2.853 54 T HA 0.038 4.388 4.350 -0.000 0.000 0.298 54 T C 0.103 174.813 174.700 0.017 0.000 0.978 54 T CA 0.037 62.153 62.100 0.027 0.000 1.152 54 T CB 0.684 69.567 68.868 0.025 0.000 0.914 54 T HN 0.024 nan 8.240 nan 0.000 0.539 55 Q N 2.527 122.330 119.800 0.006 0.000 2.293 55 Q HA 0.422 4.762 4.340 -0.000 0.000 0.251 55 Q C -0.109 175.885 176.000 -0.010 0.000 0.930 55 Q CA -0.170 55.632 55.803 -0.002 0.000 0.893 55 Q CB 1.585 30.312 28.738 -0.019 0.000 1.215 55 Q HN 0.622 nan 8.270 nan 0.000 0.425 56 I N 3.233 123.802 120.570 -0.003 0.000 2.362 56 I HA 0.360 4.530 4.170 -0.000 0.000 0.289 56 I C -0.111 176.000 176.117 -0.010 0.000 0.994 56 I CA -0.588 60.711 61.300 -0.002 0.000 1.158 56 I CB 1.139 39.148 38.000 0.014 0.000 1.315 56 I HN 0.349 nan 8.210 nan 0.000 0.451 57 I N 5.618 126.174 120.570 -0.024 0.000 2.331 57 I HA 0.297 4.467 4.170 -0.000 0.000 0.292 57 I C -0.502 175.611 176.117 -0.007 0.000 0.998 57 I CA -0.334 60.949 61.300 -0.028 0.000 1.267 57 I CB 1.274 39.239 38.000 -0.058 0.000 1.386 57 I HN 0.529 nan 8.210 nan 0.000 0.476 58 C N 4.304 123.608 119.300 0.006 0.000 2.319 58 C HA 0.369 4.829 4.460 -0.000 0.000 0.323 58 C C 0.634 175.634 174.990 0.017 0.000 1.277 58 C CA -0.562 58.461 59.018 0.008 0.000 1.517 58 C CB 0.952 28.698 27.740 0.010 0.000 2.206 58 C HN 0.683 nan 8.230 nan 0.000 0.486 59 T N 4.827 119.390 114.554 0.014 0.000 2.814 59 T HA 0.325 4.675 4.350 -0.000 0.000 0.297 59 T C 0.188 174.900 174.700 0.021 0.000 0.956 59 T CA 0.242 62.359 62.100 0.029 0.000 1.123 59 T CB 0.174 69.061 68.868 0.032 0.000 0.902 59 T HN 0.427 nan 8.240 nan 0.000 0.528 60 I N 2.563 123.156 120.570 0.039 0.000 2.440 60 I HA 0.643 4.813 4.170 -0.000 0.000 0.294 60 I C 1.002 177.130 176.117 0.018 0.000 0.995 60 I CA -0.098 61.217 61.300 0.025 0.000 1.306 60 I CB 1.335 39.362 38.000 0.045 0.000 1.407 60 I HN 0.795 nan 8.210 nan 0.000 0.501 61 G N 4.889 113.681 108.800 -0.014 0.000 2.554 61 G HA2 0.301 4.261 3.960 -0.000 0.000 0.306 61 G HA3 0.301 4.261 3.960 -0.000 0.000 0.306 61 G C -2.701 172.169 174.900 -0.049 0.000 1.320 61 G CA -0.455 44.627 45.100 -0.030 0.000 0.800 61 G HN 0.254 nan 8.290 nan 0.000 0.481 62 P HA -0.104 nan 4.420 nan 0.000 0.218 62 P C 1.947 179.210 177.300 -0.061 0.000 1.152 62 P CA 2.107 65.171 63.100 -0.060 0.000 0.857 62 P CB 0.163 31.824 31.700 -0.064 0.000 0.787 63 S N -1.673 113.981 115.700 -0.077 0.000 2.515 63 S HA -0.065 4.405 4.470 -0.000 0.000 0.231 63 S C 1.255 175.785 174.600 -0.116 0.000 0.987 63 S CA 1.254 59.392 58.200 -0.103 0.000 0.936 63 S CB -0.750 62.370 63.200 -0.133 0.000 0.766 63 S HN 0.390 nan 8.310 nan 0.000 0.528 64 C N -0.293 118.955 119.300 -0.087 0.000 3.327 64 C HA 0.468 4.928 4.460 -0.000 0.000 0.281 64 C C 0.799 175.776 174.990 -0.021 0.000 2.479 64 C CA -1.285 57.693 59.018 -0.066 0.000 1.427 64 C CB -1.608 26.055 27.740 -0.128 0.000 2.734 64 C HN 0.421 nan 8.230 nan 0.000 0.491 65 N N 2.070 120.759 118.700 -0.019 0.000 2.415 65 N HA -0.033 4.707 4.740 -0.000 0.000 0.176 65 N C 0.446 175.952 175.510 -0.006 0.000 1.042 65 N CA 0.667 53.708 53.050 -0.016 0.000 0.902 65 N CB 0.255 38.723 38.487 -0.033 0.000 0.986 65 N HN 0.939 nan 8.380 nan 0.000 0.447 66 N N -1.206 117.498 118.700 0.006 0.000 2.463 66 N HA 0.092 4.832 4.740 -0.000 0.000 0.270 66 N C 1.265 176.789 175.510 0.024 0.000 1.205 66 N CA -0.706 52.350 53.050 0.011 0.000 0.974 66 N CB 1.276 39.771 38.487 0.014 0.000 1.197 66 N HN -0.345 nan 8.380 nan 0.000 0.504 67 V N 0.157 120.080 119.914 0.014 0.000 2.332 67 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 67 V C 2.445 178.559 176.094 0.034 0.000 1.055 67 V CA 2.036 64.346 62.300 0.016 0.000 1.038 67 V CB -1.126 30.698 31.823 0.001 0.000 0.651 67 V HN 0.890 nan 8.190 nan 0.000 0.450 68 E N 0.237 120.459 120.200 0.036 0.000 2.070 68 E HA -0.241 4.109 4.350 -0.000 0.000 0.197 68 E C 2.338 178.994 176.600 0.094 0.000 1.004 68 E CA 1.886 58.311 56.400 0.042 0.000 0.805 68 E CB -0.107 29.612 29.700 0.032 0.000 0.744 68 E HN 0.619 nan 8.360 nan 0.000 0.451 69 S N 0.554 116.347 115.700 0.154 0.000 2.368 69 S HA -0.099 4.371 4.470 -0.000 0.000 0.224 69 S C 2.001 176.749 174.600 0.246 0.000 1.029 69 S CA 0.825 59.208 58.200 0.304 0.000 0.988 69 S CB -0.194 63.131 63.200 0.208 0.000 0.838 69 S HN 0.257 nan 8.310 nan 0.000 0.462 70 L N 0.986 122.285 121.223 0.126 0.000 2.083 70 L HA -0.093 4.247 4.340 -0.000 0.000 0.209 70 L C 2.164 179.094 176.870 0.100 0.000 1.083 70 L CA 1.105 56.001 54.840 0.094 0.000 0.752 70 L CB -0.593 41.498 42.059 0.054 0.000 0.899 70 L HN 0.295 nan 8.230 nan 0.000 0.433 71 I N -0.242 120.379 120.570 0.084 0.000 2.286 71 I HA -0.200 3.970 4.170 -0.000 0.000 0.248 71 I C 2.622 178.787 176.117 0.080 0.000 1.115 71 I CA 1.332 62.670 61.300 0.063 0.000 1.392 71 I CB -0.801 37.218 38.000 0.033 0.000 1.065 71 I HN 0.275 nan 8.210 nan 0.000 0.418 72 G N 1.115 109.987 108.800 0.120 0.000 2.418 72 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.217 72 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.217 72 G C 1.698 176.760 174.900 0.270 0.000 1.158 72 G CA 0.505 45.682 45.100 0.127 0.000 0.771 72 G HN 0.272 nan 8.290 nan 0.000 0.545 73 L N -0.002 121.401 121.223 0.300 0.000 2.083 73 L HA -0.008 4.332 4.340 -0.000 0.000 0.209 73 L C 2.836 179.784 176.870 0.129 0.000 1.083 73 L CA 0.579 55.539 54.840 0.200 0.000 0.752 73 L CB -0.337 41.792 42.059 0.117 0.000 0.899 73 L HN 0.217 nan 8.230 nan 0.000 0.433 74 I N -0.188 120.446 120.570 0.106 0.000 2.252 74 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 74 I C 2.011 178.173 176.117 0.075 0.000 1.102 74 I CA 1.182 62.530 61.300 0.080 0.000 1.385 74 I CB -0.356 37.684 38.000 0.068 0.000 1.064 74 I HN 0.236 nan 8.210 nan 0.000 0.414 75 D N 0.853 121.297 120.400 0.073 0.000 2.219 75 D HA -0.126 4.514 4.640 -0.000 0.000 0.205 75 D C 1.961 178.300 176.300 0.064 0.000 0.970 75 D CA 0.978 55.012 54.000 0.056 0.000 0.851 75 D CB -0.136 40.682 40.800 0.031 0.000 0.943 75 D HN 0.228 nan 8.370 nan 0.000 0.488 76 K N -0.632 119.824 120.400 0.093 0.000 2.400 76 K HA 0.184 4.504 4.320 -0.000 0.000 0.194 76 K C 1.245 177.893 176.600 0.080 0.000 1.033 76 K CA 0.565 56.912 56.287 0.099 0.000 1.021 76 K CB 1.171 33.766 32.500 0.159 0.000 0.808 76 K HN 0.209 nan 8.250 nan 0.000 0.505 77 G N 1.469 110.313 108.800 0.073 0.000 2.173 77 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.142 77 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.142 77 G C -0.020 174.912 174.900 0.053 0.000 1.019 77 G CA -0.163 44.971 45.100 0.058 0.000 0.699 77 G HN 0.234 nan 8.290 nan 0.000 0.495 78 M N 1.737 121.373 119.600 0.060 0.000 2.269 78 M HA 0.420 4.900 4.480 -0.000 0.000 0.350 78 M C 1.255 177.584 176.300 0.049 0.000 1.429 78 M CA 0.927 56.257 55.300 0.051 0.000 1.063 78 M CB 0.722 33.356 32.600 0.056 0.000 1.841 78 M HN 0.046 nan 8.290 nan 0.000 0.455 79 S N 3.429 119.152 115.700 0.037 0.000 2.452 79 S HA 0.182 4.652 4.470 -0.000 0.000 0.225 79 S C 0.090 174.722 174.600 0.054 0.000 1.057 79 S CA -0.077 58.147 58.200 0.041 0.000 0.949 79 S CB 0.475 63.688 63.200 0.021 0.000 0.836 79 S HN 0.656 nan 8.310 nan 0.000 0.518 80 V N 1.499 121.433 119.914 0.033 0.000 2.588 80 V HA 0.746 4.866 4.120 -0.000 0.000 0.304 80 V C -0.584 175.541 176.094 0.052 0.000 1.042 80 V CA -1.183 61.149 62.300 0.053 0.000 0.877 80 V CB 1.471 33.273 31.823 -0.035 0.000 0.996 80 V HN 0.336 nan 8.190 nan 0.000 0.425 81 A N 4.567 127.437 122.820 0.084 0.000 2.289 81 A HA 0.734 5.054 4.320 -0.000 0.000 0.298 81 A C 0.016 177.655 177.584 0.092 0.000 1.208 81 A CA -0.441 51.642 52.037 0.078 0.000 0.845 81 A CB 0.324 19.373 19.000 0.082 0.000 1.125 81 A HN 0.859 nan 8.150 nan 0.000 0.517 82 R N 3.453 123.997 120.500 0.073 0.000 2.265 82 R HA 0.551 4.891 4.340 -0.000 0.000 0.328 82 R C -1.556 174.806 176.300 0.104 0.000 0.969 82 R CA -0.449 55.698 56.100 0.078 0.000 0.832 82 R CB 0.497 30.825 30.300 0.045 0.000 1.139 82 R HN 0.712 nan 8.270 nan 0.000 0.457 83 L N 4.277 125.580 121.223 0.133 0.000 2.255 83 L HA 0.294 4.634 4.340 -0.000 0.000 0.289 83 L C -0.115 176.869 176.870 0.191 0.000 1.046 83 L CA -0.802 54.147 54.840 0.183 0.000 0.816 83 L CB 1.190 43.397 42.059 0.247 0.000 1.197 83 L HN 0.588 nan 8.230 nan 0.000 0.427 84 N N 2.743 121.548 118.700 0.175 0.000 2.415 84 N HA 0.150 4.890 4.740 -0.000 0.000 0.246 84 N C -0.054 175.521 175.510 0.109 0.000 1.078 84 N CA -0.118 53.017 53.050 0.141 0.000 0.942 84 N CB 0.455 39.012 38.487 0.117 0.000 1.140 84 N HN 0.290 nan 8.380 nan 0.000 0.501 85 F N 0.954 120.788 119.950 -0.193 0.000 2.664 85 F HA 0.103 4.630 4.527 -0.000 0.000 0.301 85 F C 1.922 177.651 175.800 -0.119 0.000 1.126 85 F CA -0.094 57.781 58.000 -0.210 0.000 1.373 85 F CB -0.292 38.520 39.000 -0.313 0.000 1.042 85 F HN 0.501 nan 8.300 nan 0.000 0.535 86 S N -1.841 113.812 115.700 -0.080 0.000 2.603 86 S HA 0.076 4.546 4.470 -0.000 0.000 0.220 86 S C 0.404 174.683 174.600 -0.535 0.000 0.967 86 S CA 0.277 58.302 58.200 -0.292 0.000 0.920 86 S CB -0.380 62.587 63.200 -0.388 0.000 0.773 86 S HN 0.233 nan 8.310 nan 0.000 0.529 87 H N 0.019 119.121 119.070 0.053 0.000 2.946 87 H HA 0.637 5.193 4.556 0.000 0.000 0.365 87 H C 0.808 176.140 175.328 0.007 0.000 1.197 87 H CA -0.145 55.915 56.048 0.020 0.000 1.131 87 H CB 1.098 30.858 29.762 -0.004 0.000 1.849 87 H HN 0.382 nan 8.280 nan 0.000 0.555 88 G N 1.186 110.031 108.800 0.075 0.000 2.782 88 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.228 88 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.228 88 G C -1.036 173.854 174.900 -0.017 0.000 1.372 88 G CA 0.049 45.092 45.100 -0.096 0.000 0.862 88 G HN 0.925 nan 8.290 nan 0.000 0.547 89 D N -3.015 117.366 120.400 -0.031 0.000 2.566 89 D HA 0.527 5.167 4.640 -0.000 0.000 0.254 89 D C 0.990 177.432 176.300 0.237 0.000 1.090 89 D CA -0.471 53.610 54.000 0.136 0.000 1.034 89 D CB 0.230 41.102 40.800 0.119 0.000 1.434 89 D HN 0.527 nan 8.370 nan 0.000 0.509 90 H N -0.656 118.540 119.070 0.210 0.000 2.387 90 H HA -0.132 4.424 4.556 -0.000 0.000 0.299 90 H C 1.383 176.956 175.328 0.409 0.000 1.099 90 H CA 1.541 57.823 56.048 0.389 0.000 1.315 90 H CB 0.536 30.569 29.762 0.451 0.000 1.380 90 H HN 0.600 nan 8.280 nan 0.000 0.513 91 E N 0.941 121.358 120.200 0.362 0.000 2.047 91 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 91 E C 2.472 179.207 176.600 0.224 0.000 0.987 91 E CA 1.434 57.994 56.400 0.267 0.000 0.799 91 E CB 0.135 29.932 29.700 0.162 0.000 0.752 91 E HN 0.428 nan 8.360 nan 0.000 0.449 92 S N -0.055 115.699 115.700 0.089 0.000 2.368 92 S HA -0.163 4.307 4.470 -0.000 0.000 0.224 92 S C 1.962 176.517 174.600 -0.075 0.000 1.029 92 S CA 0.952 59.125 58.200 -0.045 0.000 0.988 92 S CB -0.582 62.508 63.200 -0.183 0.000 0.838 92 S HN 0.376 nan 8.310 nan 0.000 0.462 93 H N -0.166 118.902 119.070 -0.003 0.000 2.423 93 H HA 0.065 4.620 4.556 -0.000 0.000 0.297 93 H C 1.835 177.349 175.328 0.310 0.000 1.075 93 H CA 1.347 57.377 56.048 -0.030 0.000 1.342 93 H CB -0.518 28.932 29.762 -0.521 0.000 1.395 93 H HN 0.574 nan 8.280 nan 0.000 0.530 94 F N 2.068 122.254 119.950 0.394 0.000 2.186 94 F HA -0.208 4.319 4.527 -0.000 0.000 0.299 94 F C 2.651 178.464 175.800 0.022 0.000 1.090 94 F CA 1.572 59.666 58.000 0.158 0.000 1.307 94 F CB -0.189 38.828 39.000 0.028 0.000 1.019 94 F HN -0.153 nan 8.300 nan 0.000 0.489 95 K N -0.273 120.153 120.400 0.044 0.000 2.057 95 K HA -0.132 4.188 4.320 -0.000 0.000 0.207 95 K C 2.129 178.665 176.600 -0.107 0.000 1.049 95 K CA 2.015 58.257 56.287 -0.075 0.000 0.931 95 K CB -1.150 31.358 32.500 0.015 0.000 0.714 95 K HN 0.521 nan 8.250 nan 0.000 0.440 96 T N 1.380 115.915 114.554 -0.032 0.000 2.788 96 T HA -0.098 4.252 4.350 -0.000 0.000 0.268 96 T C 1.695 176.382 174.700 -0.020 0.000 1.044 96 T CA 1.468 63.562 62.100 -0.010 0.000 1.139 96 T CB -0.341 68.549 68.868 0.037 0.000 0.867 96 T HN 0.249 nan 8.240 nan 0.000 0.454 97 L N 1.141 122.345 121.223 -0.032 0.000 2.017 97 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 97 L C 2.512 179.246 176.870 -0.226 0.000 1.073 97 L CA 1.747 56.533 54.840 -0.089 0.000 0.745 97 L CB -0.708 41.278 42.059 -0.122 0.000 0.894 97 L HN 0.226 nan 8.230 nan 0.000 0.432 98 Q N -0.610 118.946 119.800 -0.408 0.000 2.112 98 Q HA -0.237 4.103 4.340 -0.000 0.000 0.206 98 Q C 1.952 177.846 176.000 -0.177 0.000 0.987 98 Q CA 1.845 57.436 55.803 -0.354 0.000 0.858 98 Q CB -0.295 28.185 28.738 -0.431 0.000 0.905 98 Q HN 0.567 nan 8.270 nan 0.000 0.420 99 N N 0.530 119.151 118.700 -0.131 0.000 2.166 99 N HA -0.106 4.634 4.740 -0.000 0.000 0.186 99 N C 1.726 177.212 175.510 -0.040 0.000 1.019 99 N CA 1.004 54.013 53.050 -0.067 0.000 0.856 99 N CB -0.188 38.273 38.487 -0.044 0.000 0.993 99 N HN 0.248 nan 8.380 nan 0.000 0.426 100 I N 0.785 121.334 120.570 -0.034 0.000 2.179 100 I HA -0.218 3.952 4.170 -0.000 0.000 0.242 100 I C 2.213 178.321 176.117 -0.014 0.000 1.088 100 I CA 1.106 62.403 61.300 -0.005 0.000 1.357 100 I CB -0.081 37.930 38.000 0.018 0.000 1.051 100 I HN 0.050 nan 8.210 nan 0.000 0.409 101 R N 0.181 120.656 120.500 -0.043 0.000 2.148 101 R HA -0.160 4.180 4.340 -0.000 0.000 0.223 101 R C 2.178 178.455 176.300 -0.038 0.000 1.088 101 R CA 1.001 57.076 56.100 -0.042 0.000 0.985 101 R CB -0.179 30.081 30.300 -0.067 0.000 0.880 101 R HN 0.407 nan 8.270 nan 0.000 0.451 102 E N 0.572 120.745 120.200 -0.047 0.000 2.107 102 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 102 E C 1.816 178.405 176.600 -0.018 0.000 0.982 102 E CA 0.960 57.339 56.400 -0.035 0.000 0.809 102 E CB 0.037 29.712 29.700 -0.041 0.000 0.756 102 E HN 0.353 nan 8.360 nan 0.000 0.459 103 A N 1.022 123.837 122.820 -0.010 0.000 1.969 103 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 103 A C 2.312 179.901 177.584 0.008 0.000 1.169 103 A CA 1.520 53.561 52.037 0.006 0.000 0.635 103 A CB -0.530 18.482 19.000 0.019 0.000 0.810 103 A HN 0.388 nan 8.150 nan 0.000 0.445 104 A N -0.461 122.361 122.820 0.004 0.000 1.968 104 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 104 A C 2.029 179.608 177.584 -0.008 0.000 1.169 104 A CA 1.907 53.948 52.037 0.005 0.000 0.638 104 A CB -0.287 18.717 19.000 0.007 0.000 0.812 104 A HN 0.403 nan 8.150 nan 0.000 0.446 105 K N -0.024 120.366 120.400 -0.016 0.000 2.148 105 K HA 0.111 4.431 4.320 -0.000 0.000 0.204 105 K C 1.862 178.446 176.600 -0.027 0.000 1.050 105 K CA 1.110 57.382 56.287 -0.025 0.000 0.942 105 K CB -0.299 32.186 32.500 -0.024 0.000 0.724 105 K HN 0.406 nan 8.250 nan 0.000 0.446 106 A N 0.119 122.929 122.820 -0.016 0.000 2.206 106 A HA 0.025 4.345 4.320 -0.000 0.000 0.211 106 A C 0.491 178.070 177.584 -0.008 0.000 1.158 106 A CA 0.673 52.703 52.037 -0.012 0.000 0.761 106 A CB 0.164 19.162 19.000 -0.004 0.000 0.801 106 A HN -0.009 nan 8.150 nan 0.000 0.473 107 R N -0.439 120.056 120.500 -0.008 0.000 2.653 107 R HA 0.197 4.537 4.340 -0.000 0.000 0.269 107 R C -2.474 173.813 176.300 -0.021 0.000 1.603 107 R CA -1.417 54.685 56.100 0.005 0.000 1.671 107 R CB 0.589 30.909 30.300 0.033 0.000 1.300 107 R HN 0.258 nan 8.270 nan 0.000 0.668 108 P HA -0.118 nan 4.420 nan 0.000 0.222 108 P C 0.660 177.867 177.300 -0.154 0.000 1.147 108 P CA 1.033 64.037 63.100 -0.161 0.000 0.790 108 P CB 0.261 31.801 31.700 -0.266 0.000 0.780 109 H N -0.957 118.135 119.070 0.038 0.000 2.555 109 H HA 0.226 4.782 4.556 -0.000 0.000 0.269 109 H C 0.603 175.967 175.328 0.061 0.000 0.988 109 H CA 0.361 56.441 56.048 0.052 0.000 1.178 109 H CB 0.019 29.808 29.762 0.046 0.000 1.373 109 H HN 0.132 nan 8.280 nan 0.000 0.588 110 S N 0.236 116.014 115.700 0.130 0.000 2.654 110 S HA 0.407 4.877 4.470 -0.000 0.000 0.283 110 S C 0.314 174.960 174.600 0.076 0.000 1.180 110 S CA -0.529 57.730 58.200 0.099 0.000 1.021 110 S CB 2.094 65.341 63.200 0.079 0.000 1.018 110 S HN 0.096 nan 8.310 nan 0.000 0.532 111 T N 1.894 116.492 114.554 0.074 0.000 2.841 111 T HA 0.518 4.868 4.350 -0.000 0.000 0.285 111 T C -1.020 173.723 174.700 0.071 0.000 0.991 111 T CA -0.466 61.673 62.100 0.066 0.000 0.966 111 T CB 1.126 70.034 68.868 0.066 0.000 0.962 111 T HN 0.316 nan 8.240 nan 0.000 0.438 112 V N 2.731 122.687 119.914 0.070 0.000 2.407 112 V HA 0.699 4.819 4.120 -0.000 0.000 0.291 112 V C 0.791 176.949 176.094 0.106 0.000 1.018 112 V CA -0.859 61.491 62.300 0.083 0.000 0.842 112 V CB 1.662 33.526 31.823 0.069 0.000 0.996 112 V HN 1.023 nan 8.190 nan 0.000 0.426 113 G N 4.367 113.268 108.800 0.169 0.000 2.507 113 G HA2 0.688 4.648 3.960 -0.000 0.000 0.271 113 G HA3 0.688 4.648 3.960 -0.000 0.000 0.271 113 G C -0.672 174.383 174.900 0.258 0.000 1.189 113 G CA -0.451 44.809 45.100 0.267 0.000 0.859 113 G HN 0.622 nan 8.290 nan 0.000 0.542 114 I N 1.014 121.728 120.570 0.241 0.000 2.436 114 I HA 0.351 4.521 4.170 -0.000 0.000 0.289 114 I C -0.156 176.130 176.117 0.282 0.000 1.010 114 I CA -0.469 60.955 61.300 0.206 0.000 1.098 114 I CB 2.153 40.229 38.000 0.128 0.000 1.266 114 I HN 0.336 nan 8.210 nan 0.000 0.434 115 M N 7.230 126.981 119.600 0.252 0.000 2.311 115 M HA 0.450 4.930 4.480 -0.000 0.000 0.325 115 M C -1.874 174.489 176.300 0.105 0.000 1.061 115 M CA -0.792 54.648 55.300 0.233 0.000 0.957 115 M CB 1.898 34.595 32.600 0.162 0.000 1.646 115 M HN 0.427 nan 8.290 nan 0.000 0.434 116 L N 5.230 126.471 121.223 0.030 0.000 2.265 116 L HA 0.475 4.815 4.340 -0.000 0.000 0.289 116 L C -1.321 175.486 176.870 -0.106 0.000 1.033 116 L CA 0.320 55.074 54.840 -0.144 0.000 0.814 116 L CB 1.086 42.966 42.059 -0.299 0.000 1.203 116 L HN 0.748 nan 8.230 nan 0.000 0.423 117 D N 3.719 124.081 120.400 -0.064 0.000 2.349 117 D HA 0.219 4.859 4.640 -0.000 0.000 0.232 117 D C -0.103 176.182 176.300 -0.026 0.000 1.071 117 D CA -0.048 53.941 54.000 -0.018 0.000 0.832 117 D CB 1.484 42.301 40.800 0.028 0.000 1.086 117 D HN 0.672 nan 8.370 nan 0.000 0.504 118 T N 0.808 115.337 114.554 -0.042 0.000 2.898 118 T HA 0.119 4.469 4.350 -0.000 0.000 0.301 118 T C 1.304 176.006 174.700 0.004 0.000 1.049 118 T CA -0.472 61.611 62.100 -0.029 0.000 1.095 118 T CB 1.994 70.846 68.868 -0.027 0.000 0.976 118 T HN 0.391 nan 8.240 nan 0.000 0.539 119 K N 1.901 122.310 120.400 0.015 0.000 2.025 119 K HA 0.175 4.495 4.320 -0.000 0.000 0.207 119 K C 1.244 177.827 176.600 -0.029 0.000 1.049 119 K CA 1.175 57.452 56.287 -0.016 0.000 0.933 119 K CB -1.010 31.486 32.500 -0.006 0.000 0.714 119 K HN 1.160 nan 8.250 nan 0.000 0.438 120 G N 0.702 109.492 108.800 -0.017 0.000 2.782 120 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.228 120 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.228 120 G C -2.679 172.167 174.900 -0.091 0.000 1.372 120 G CA -0.332 44.751 45.100 -0.028 0.000 0.862 120 G HN 0.289 nan 8.290 nan 0.000 0.547 121 P HA 0.452 nan 4.420 nan 0.000 0.278 121 P C -0.383 176.689 177.300 -0.380 0.000 1.238 121 P CA 0.055 63.011 63.100 -0.239 0.000 0.794 121 P CB 1.329 32.877 31.700 -0.254 0.000 0.955 122 E N 1.556 121.577 120.200 -0.299 0.000 2.430 122 E HA 0.623 4.973 4.350 -0.000 0.000 0.279 122 E C -1.250 175.212 176.600 -0.230 0.000 1.003 122 E CA -1.035 55.186 56.400 -0.298 0.000 0.801 122 E CB 1.322 30.907 29.700 -0.191 0.000 1.313 122 E HN 0.232 nan 8.360 nan 0.000 0.459 123 I N 1.408 121.859 120.570 -0.198 0.000 2.406 123 I HA 0.475 4.645 4.170 -0.000 0.000 0.290 123 I C -0.329 175.767 176.117 -0.035 0.000 0.999 123 I CA -1.039 60.191 61.300 -0.117 0.000 1.124 123 I CB 1.292 39.221 38.000 -0.119 0.000 1.289 123 I HN 0.293 nan 8.210 nan 0.000 0.441 124 R N 3.050 123.557 120.500 0.012 0.000 2.803 124 R HA 0.548 4.888 4.340 -0.000 0.000 0.276 124 R C -0.231 176.176 176.300 0.179 0.000 0.978 124 R CA -0.769 55.384 56.100 0.088 0.000 0.939 124 R CB 1.820 32.194 30.300 0.124 0.000 1.179 124 R HN 0.719 nan 8.270 nan 0.000 0.472 125 T N -1.732 112.922 114.554 0.167 0.000 2.788 125 T HA 0.429 4.779 4.350 -0.000 0.000 0.287 125 T C 0.956 175.788 174.700 0.219 0.000 1.007 125 T CA -0.311 61.900 62.100 0.185 0.000 1.005 125 T CB 1.184 70.111 68.868 0.098 0.000 1.012 125 T HN 0.555 nan 8.240 nan 0.000 0.530 126 G N 0.650 109.508 108.800 0.096 0.000 2.666 126 G HA2 0.534 4.494 3.960 -0.000 0.000 0.207 126 G HA3 0.534 4.494 3.960 -0.000 0.000 0.207 126 G C -0.015 174.777 174.900 -0.180 0.000 1.481 126 G CA -0.960 43.986 45.100 -0.256 0.000 1.071 126 G HN 0.675 nan 8.290 nan 0.000 0.572 127 M N -0.380 119.083 119.600 -0.228 0.000 2.513 127 M HA 0.569 5.049 4.480 -0.000 0.000 0.291 127 M C -0.495 175.756 176.300 -0.082 0.000 1.190 127 M CA -0.273 54.947 55.300 -0.133 0.000 0.960 127 M CB 1.056 33.570 32.600 -0.142 0.000 1.517 127 M HN 0.168 nan 8.290 nan 0.000 0.499 128 L N -0.063 121.127 121.223 -0.055 0.000 2.371 128 L HA 0.387 4.727 4.340 -0.000 0.000 0.262 128 L C -0.097 176.754 176.870 -0.032 0.000 1.006 128 L CA -0.864 53.955 54.840 -0.036 0.000 0.818 128 L CB 2.087 44.133 42.059 -0.022 0.000 1.354 128 L HN 0.619 nan 8.230 nan 0.000 0.415 129 E N 1.405 121.589 120.200 -0.026 0.000 2.463 129 E HA 0.127 4.477 4.350 -0.000 0.000 0.248 129 E C 0.932 177.521 176.600 -0.018 0.000 1.106 129 E CA 1.049 57.436 56.400 -0.022 0.000 0.946 129 E CB 0.184 29.874 29.700 -0.018 0.000 0.971 129 E HN 0.830 nan 8.360 nan 0.000 0.478 130 G N 3.655 112.444 108.800 -0.019 0.000 3.078 130 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.227 130 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.227 130 G C 0.840 175.731 174.900 -0.016 0.000 1.306 130 G CA 0.169 45.260 45.100 -0.015 0.000 0.841 130 G HN 1.384 nan 8.290 nan 0.000 0.530 131 G N -0.136 108.655 108.800 -0.015 0.000 2.392 131 G HA2 0.411 4.371 3.960 -0.000 0.000 0.290 131 G HA3 0.411 4.371 3.960 -0.000 0.000 0.290 131 G C 1.019 175.913 174.900 -0.010 0.000 1.032 131 G CA 1.378 46.469 45.100 -0.014 0.000 1.269 131 G HN 2.955 nan 8.290 nan 0.000 0.511 132 K N -1.249 119.147 120.400 -0.007 0.000 4.326 132 K HA 0.021 4.341 4.320 -0.000 0.000 0.299 132 K C -1.003 175.594 176.600 -0.006 0.000 1.005 132 K CA 1.486 57.769 56.287 -0.007 0.000 0.935 132 K CB -2.360 30.135 32.500 -0.008 0.000 1.551 132 K HN 1.166 nan 8.250 nan 0.000 0.438 133 P HA 0.398 nan 4.420 nan 0.000 0.270 133 P C 0.633 177.933 177.300 -0.000 0.000 1.227 133 P CA -0.450 62.650 63.100 -0.001 0.000 0.788 133 P CB 0.406 32.107 31.700 0.002 0.000 0.926 134 I N -2.559 118.013 120.570 0.002 0.000 2.562 134 I HA 0.497 4.667 4.170 -0.000 0.000 0.301 134 I C -0.612 175.508 176.117 0.006 0.000 1.003 134 I CA -0.977 60.325 61.300 0.003 0.000 1.127 134 I CB 1.766 39.768 38.000 0.003 0.000 1.304 134 I HN 0.290 nan 8.210 nan 0.000 0.446 135 E N 5.567 125.770 120.200 0.005 0.000 2.092 135 E HA 0.566 4.916 4.350 -0.000 0.000 0.271 135 E C -1.036 175.569 176.600 0.008 0.000 0.919 135 E CA -0.535 55.869 56.400 0.006 0.000 0.760 135 E CB 2.059 31.762 29.700 0.005 0.000 1.106 135 E HN 0.496 nan 8.360 nan 0.000 0.408 136 L N 2.292 123.521 121.223 0.011 0.000 2.344 136 L HA 0.676 5.016 4.340 -0.000 0.000 0.272 136 L C 0.314 177.191 176.870 0.012 0.000 1.035 136 L CA -0.557 54.291 54.840 0.012 0.000 0.807 136 L CB 1.023 43.091 42.059 0.016 0.000 1.237 136 L HN 0.418 nan 8.230 nan 0.000 0.442 137 K N 1.042 121.450 120.400 0.012 0.000 2.435 137 K HA 0.870 5.190 4.320 -0.000 0.000 0.251 137 K C -0.465 176.142 176.600 0.013 0.000 0.954 137 K CA -0.252 56.042 56.287 0.011 0.000 0.820 137 K CB 1.635 34.141 32.500 0.009 0.000 1.292 137 K HN 0.769 nan 8.250 nan 0.000 0.436 138 A N -0.117 122.710 122.820 0.012 0.000 2.511 138 A HA 0.533 4.853 4.320 -0.000 0.000 0.242 138 A C 1.630 179.222 177.584 0.013 0.000 1.069 138 A CA 1.312 53.357 52.037 0.013 0.000 0.763 138 A CB -0.832 18.175 19.000 0.012 0.000 1.001 138 A HN 2.559 nan 8.150 nan 0.000 0.498 139 G N 0.541 109.350 108.800 0.015 0.000 2.241 139 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.244 139 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.244 139 G C 0.503 175.412 174.900 0.016 0.000 0.998 139 G CA 0.493 45.601 45.100 0.014 0.000 0.621 139 G HN 1.142 nan 8.290 nan 0.000 0.519 140 Q N 1.180 120.989 119.800 0.016 0.000 2.392 140 Q HA 0.527 4.867 4.340 -0.000 0.000 0.262 140 Q C 0.375 176.388 176.000 0.022 0.000 1.003 140 Q CA 0.808 56.621 55.803 0.017 0.000 0.888 140 Q CB 0.335 29.082 28.738 0.016 0.000 1.260 140 Q HN 0.652 nan 8.270 nan 0.000 0.435 141 T N 4.297 118.864 114.554 0.023 0.000 2.811 141 T HA 0.368 4.718 4.350 -0.000 0.000 0.309 141 T C -0.639 174.081 174.700 0.032 0.000 1.005 141 T CA -0.555 61.563 62.100 0.030 0.000 0.955 141 T CB 0.108 68.994 68.868 0.031 0.000 0.970 141 T HN 0.421 nan 8.240 nan 0.000 0.496 142 L N 2.839 124.085 121.223 0.039 0.000 2.307 142 L HA 0.749 5.089 4.340 -0.000 0.000 0.282 142 L C 0.252 177.159 176.870 0.062 0.000 1.051 142 L CA -0.600 54.265 54.840 0.042 0.000 0.804 142 L CB 0.936 43.020 42.059 0.040 0.000 1.197 142 L HN 0.610 nan 8.230 nan 0.000 0.431 143 K N 5.754 126.189 120.400 0.059 0.000 2.159 143 K HA 0.698 5.018 4.320 -0.000 0.000 0.266 143 K C -0.813 175.845 176.600 0.097 0.000 0.975 143 K CA -0.216 56.126 56.287 0.092 0.000 0.865 143 K CB 0.846 33.368 32.500 0.037 0.000 1.087 143 K HN 0.694 nan 8.250 nan 0.000 0.446 144 I N 2.474 123.129 120.570 0.142 0.000 2.420 144 I HA 0.232 4.402 4.170 -0.000 0.000 0.282 144 I C 0.280 176.496 176.117 0.165 0.000 1.019 144 I CA -0.827 60.550 61.300 0.128 0.000 1.130 144 I CB 2.070 40.137 38.000 0.112 0.000 1.262 144 I HN 0.728 nan 8.210 nan 0.000 0.454 145 T N 2.544 117.184 114.554 0.142 0.000 2.928 145 T HA 0.222 4.572 4.350 -0.000 0.000 0.284 145 T C 1.246 176.029 174.700 0.138 0.000 1.008 145 T CA -0.319 61.874 62.100 0.155 0.000 1.057 145 T CB 1.147 70.077 68.868 0.103 0.000 1.018 145 T HN 0.759 nan 8.240 nan 0.000 0.493 146 T N 0.384 115.010 114.554 0.120 0.000 3.081 146 T HA 0.103 4.453 4.350 -0.000 0.000 0.255 146 T C 0.617 175.386 174.700 0.115 0.000 1.113 146 T CA -0.070 62.084 62.100 0.089 0.000 1.082 146 T CB -0.169 68.712 68.868 0.022 0.000 0.939 146 T HN 0.569 nan 8.240 nan 0.000 0.506 147 D N 0.963 121.432 120.400 0.114 0.000 2.346 147 D HA -0.008 4.632 4.640 -0.000 0.000 0.267 147 D C 0.192 176.588 176.300 0.161 0.000 1.320 147 D CA -0.540 53.526 54.000 0.111 0.000 0.951 147 D CB -0.059 40.782 40.800 0.069 0.000 1.079 147 D HN 0.234 nan 8.370 nan 0.000 0.509 148 Y N 2.326 122.638 120.300 0.021 0.000 2.583 148 Y HA -0.032 4.518 4.550 -0.000 0.000 0.293 148 Y C 2.152 178.062 175.900 0.017 0.000 1.157 148 Y CA 0.921 59.035 58.100 0.023 0.000 1.315 148 Y CB 0.084 38.559 38.460 0.025 0.000 1.021 148 Y HN 0.455 nan 8.280 nan 0.000 0.536 149 S N -0.733 114.992 115.700 0.041 0.000 2.548 149 S HA 0.059 4.529 4.470 -0.000 0.000 0.215 149 S C 0.669 175.241 174.600 -0.046 0.000 0.976 149 S CA -0.223 57.964 58.200 -0.022 0.000 0.908 149 S CB -0.829 62.381 63.200 0.017 0.000 0.781 149 S HN 0.343 nan 8.310 nan 0.000 0.519 150 M N 1.344 120.922 119.600 -0.036 0.000 2.235 150 M HA 0.514 4.994 4.480 -0.000 0.000 0.351 150 M C -0.663 175.602 176.300 -0.058 0.000 1.178 150 M CA -0.348 54.931 55.300 -0.034 0.000 1.143 150 M CB 0.042 32.634 32.600 -0.014 0.000 1.530 150 M HN -0.026 nan 8.290 nan 0.000 0.461 151 L N 3.861 125.055 121.223 -0.048 0.000 2.361 151 L HA 0.483 4.823 4.340 -0.000 0.000 0.278 151 L C 0.903 177.750 176.870 -0.038 0.000 1.113 151 L CA -0.260 54.550 54.840 -0.050 0.000 0.849 151 L CB 0.164 42.200 42.059 -0.039 0.000 1.155 151 L HN 1.032 nan 8.230 nan 0.000 0.452 152 G N 2.452 111.229 108.800 -0.039 0.000 2.476 152 G HA2 0.475 4.434 3.960 -0.000 0.000 0.286 152 G HA3 0.475 4.434 3.960 -0.000 0.000 0.286 152 G C -0.578 174.312 174.900 -0.017 0.000 1.177 152 G CA -0.433 44.654 45.100 -0.023 0.000 0.870 152 G HN 0.790 nan 8.290 nan 0.000 0.528 153 N N -2.773 115.921 118.700 -0.010 0.000 3.316 153 N HA 0.298 5.038 4.740 -0.000 0.000 0.300 153 N C 1.161 176.670 175.510 -0.002 0.000 1.567 153 N CA 0.009 53.054 53.050 -0.008 0.000 0.821 153 N CB 0.614 39.095 38.487 -0.011 0.000 1.748 153 N HN 0.416 nan 8.380 nan 0.000 0.603 154 S N -0.855 114.844 115.700 -0.001 0.000 2.383 154 S HA -0.211 4.259 4.470 -0.000 0.000 0.229 154 S C 1.048 175.651 174.600 0.005 0.000 1.030 154 S CA 1.441 59.643 58.200 0.003 0.000 1.002 154 S CB -0.680 62.521 63.200 0.002 0.000 0.829 154 S HN 0.633 nan 8.310 nan 0.000 0.467 155 E N -0.359 119.841 120.200 -0.000 0.000 2.216 155 E HA 0.138 4.488 4.350 -0.000 0.000 0.192 155 E C 0.315 176.916 176.600 0.001 0.000 0.988 155 E CA 0.545 56.945 56.400 -0.001 0.000 0.834 155 E CB 0.342 30.036 29.700 -0.011 0.000 0.772 155 E HN 0.530 nan 8.360 nan 0.000 0.479 156 C N 0.736 120.036 119.300 0.000 0.000 2.811 156 C HA 0.540 5.000 4.460 -0.000 0.000 0.352 156 C C -1.199 173.798 174.990 0.011 0.000 1.098 156 C CA -0.874 58.146 59.018 0.005 0.000 1.295 156 C CB 0.096 27.826 27.740 -0.017 0.000 1.758 156 C HN 0.334 nan 8.230 nan 0.000 0.488 157 I N 3.184 123.772 120.570 0.030 0.000 3.145 157 I HA 0.912 5.082 4.170 -0.000 0.000 0.313 157 I C -0.166 175.987 176.117 0.059 0.000 1.122 157 I CA -0.290 61.030 61.300 0.033 0.000 0.987 157 I CB 2.277 40.300 38.000 0.039 0.000 1.236 157 I HN 0.653 nan 8.210 nan 0.000 0.453 158 S N 1.678 117.417 115.700 0.064 0.000 2.681 158 S HA 0.742 5.212 4.470 -0.000 0.000 0.299 158 S C -0.680 174.057 174.600 0.229 0.000 1.113 158 S CA -0.674 57.604 58.200 0.129 0.000 1.013 158 S CB 1.712 64.969 63.200 0.094 0.000 1.076 158 S HN 0.951 nan 8.310 nan 0.000 0.534 159 C N 1.714 121.196 119.300 0.304 0.000 2.609 159 C HA 0.698 5.158 4.460 -0.000 0.000 0.313 159 C C 1.564 176.639 174.990 0.141 0.000 1.175 159 C CA 0.098 59.269 59.018 0.256 0.000 1.434 159 C CB 0.950 28.786 27.740 0.161 0.000 2.005 159 C HN 1.161 nan 8.230 nan 0.000 0.471 160 S N 2.934 118.551 115.700 -0.139 0.000 2.481 160 S HA -0.049 4.421 4.470 -0.000 0.000 0.231 160 S C 0.252 174.735 174.600 -0.195 0.000 0.996 160 S CA 0.576 58.383 58.200 -0.656 0.000 0.942 160 S CB -0.312 62.461 63.200 -0.711 0.000 0.768 160 S HN 0.922 nan 8.310 nan 0.000 0.520 161 Y N 3.767 123.975 120.300 -0.154 0.000 2.518 161 Y HA 0.509 5.059 4.550 -0.000 0.000 0.344 161 Y C 1.268 177.143 175.900 -0.041 0.000 0.982 161 Y CA -1.270 56.779 58.100 -0.086 0.000 1.234 161 Y CB 0.688 39.117 38.460 -0.052 0.000 1.114 161 Y HN 0.262 nan 8.280 nan 0.000 0.515 162 S N 3.993 119.558 115.700 -0.226 0.000 2.447 162 S HA -0.092 4.378 4.470 -0.000 0.000 0.233 162 S C 1.152 175.514 174.600 -0.395 0.000 1.006 162 S CA 0.821 58.879 58.200 -0.236 0.000 0.957 162 S CB -0.296 62.830 63.200 -0.123 0.000 0.773 162 S HN 0.712 nan 8.310 nan 0.000 0.507 163 L N 1.292 122.048 121.223 -0.779 0.000 2.688 163 L HA 0.313 4.653 4.340 -0.000 0.000 0.234 163 L C 1.779 178.196 176.870 -0.754 0.000 1.192 163 L CA -0.184 54.245 54.840 -0.686 0.000 0.984 163 L CB -0.170 41.610 42.059 -0.466 0.000 1.232 163 L HN 0.262 nan 8.230 nan 0.000 0.465 164 L N 1.627 122.423 121.223 -0.712 0.000 2.012 164 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 164 L C -0.565 176.259 176.870 -0.077 0.000 1.073 164 L CA 2.248 56.961 54.840 -0.211 0.000 0.748 164 L CB -1.178 40.862 42.059 -0.031 0.000 0.891 164 L HN 0.132 nan 8.230 nan 0.000 0.431 165 P HA -0.123 nan 4.420 nan 0.000 0.217 165 P C 1.067 178.321 177.300 -0.077 0.000 1.151 165 P CA 1.354 64.392 63.100 -0.104 0.000 0.828 165 P CB -0.074 31.535 31.700 -0.151 0.000 0.788 166 K N -0.808 119.539 120.400 -0.089 0.000 2.418 166 K HA 0.170 4.490 4.320 -0.000 0.000 0.195 166 K C 1.790 178.403 176.600 0.022 0.000 1.035 166 K CA 0.657 56.908 56.287 -0.061 0.000 1.003 166 K CB -0.419 32.014 32.500 -0.112 0.000 0.793 166 K HN 0.113 nan 8.250 nan 0.000 0.494 167 S N 0.300 116.054 115.700 0.091 0.000 2.456 167 S HA 0.052 4.522 4.470 -0.000 0.000 0.224 167 S C 0.992 175.677 174.600 0.143 0.000 1.035 167 S CA -0.102 58.233 58.200 0.224 0.000 0.940 167 S CB 0.399 63.839 63.200 0.401 0.000 0.799 167 S HN -0.080 nan 8.310 nan 0.000 0.508 168 V N 1.957 121.926 119.914 0.092 0.000 2.743 168 V HA 0.664 4.784 4.120 -0.000 0.000 0.301 168 V C 0.397 176.508 176.094 0.030 0.000 1.057 168 V CA -0.358 61.979 62.300 0.062 0.000 1.006 168 V CB 1.142 32.996 31.823 0.052 0.000 1.024 168 V HN 0.508 nan 8.190 nan 0.000 0.473 169 Q N 2.258 122.073 119.800 0.026 0.000 2.418 169 Q HA 0.741 5.081 4.340 -0.000 0.000 0.276 169 Q C -0.683 175.321 176.000 0.007 0.000 1.081 169 Q CA -0.932 54.878 55.803 0.011 0.000 0.864 169 Q CB 1.106 29.853 28.738 0.015 0.000 1.384 169 Q HN 0.646 nan 8.270 nan 0.000 0.467 170 I N 1.532 122.103 120.570 0.001 0.000 2.587 170 I HA 0.405 4.575 4.170 -0.000 0.000 0.284 170 I C 1.552 177.674 176.117 0.009 0.000 1.134 170 I CA 2.045 63.346 61.300 0.002 0.000 1.410 170 I CB 0.662 38.661 38.000 -0.001 0.000 1.392 170 I HN 1.111 nan 8.210 nan 0.000 0.545 171 G N 3.322 112.130 108.800 0.012 0.000 2.194 171 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.236 171 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.236 171 G C 0.504 175.415 174.900 0.018 0.000 0.987 171 G CA 0.009 45.118 45.100 0.015 0.000 0.635 171 G HN 0.592 nan 8.290 nan 0.000 0.520 172 S N 0.683 116.395 115.700 0.021 0.000 2.562 172 S HA 0.487 4.957 4.470 -0.000 0.000 0.281 172 S C 0.583 175.201 174.600 0.029 0.000 1.333 172 S CA 0.817 59.033 58.200 0.026 0.000 1.052 172 S CB 1.514 64.734 63.200 0.033 0.000 0.884 172 S HN 0.736 nan 8.310 nan 0.000 0.506 173 T N 2.405 116.977 114.554 0.029 0.000 2.856 173 T HA 0.458 4.808 4.350 -0.000 0.000 0.292 173 T C -0.715 174.008 174.700 0.039 0.000 0.980 173 T CA -0.522 61.597 62.100 0.031 0.000 1.091 173 T CB 0.208 69.091 68.868 0.026 0.000 0.936 173 T HN 0.295 nan 8.240 nan 0.000 0.503 174 V N 7.071 127.010 119.914 0.041 0.000 2.409 174 V HA 0.420 4.540 4.120 -0.000 0.000 0.290 174 V C -0.166 175.954 176.094 0.043 0.000 1.017 174 V CA -0.793 61.536 62.300 0.048 0.000 0.841 174 V CB 1.358 33.215 31.823 0.056 0.000 1.003 174 V HN 0.801 nan 8.190 nan 0.000 0.426 175 L N 5.996 127.243 121.223 0.041 0.000 2.325 175 L HA 0.667 5.007 4.340 -0.000 0.000 0.279 175 L C -0.557 176.335 176.870 0.038 0.000 1.054 175 L CA -0.450 54.412 54.840 0.037 0.000 0.804 175 L CB 1.621 43.700 42.059 0.033 0.000 1.200 175 L HN 0.454 nan 8.230 nan 0.000 0.436 176 I N 2.153 122.744 120.570 0.036 0.000 2.582 176 I HA 0.482 4.652 4.170 -0.000 0.000 0.292 176 I C 0.119 176.255 176.117 0.032 0.000 1.066 176 I CA -0.882 60.441 61.300 0.037 0.000 1.053 176 I CB 1.970 39.995 38.000 0.042 0.000 1.241 176 I HN 0.795 nan 8.210 nan 0.000 0.421 177 A N 4.377 127.216 122.820 0.032 0.000 2.429 177 A HA -0.153 4.167 4.320 -0.000 0.000 0.290 177 A C 0.314 177.914 177.584 0.027 0.000 1.439 177 A CA 0.558 52.613 52.037 0.029 0.000 0.731 177 A CB -1.567 17.450 19.000 0.027 0.000 1.138 177 A HN 0.958 nan 8.150 nan 0.000 0.384 178 D N -1.746 118.671 120.400 0.028 0.000 2.708 178 D HA -0.155 4.485 4.640 -0.000 0.000 0.236 178 D C 1.587 177.902 176.300 0.026 0.000 1.146 178 D CA 2.883 56.899 54.000 0.028 0.000 0.662 178 D CB -1.475 39.341 40.800 0.027 0.000 1.059 178 D HN 2.460 nan 8.370 nan 0.000 0.428 179 G N -1.306 107.511 108.800 0.027 0.000 2.184 179 G HA2 -0.435 3.525 3.960 -0.000 0.000 0.264 179 G HA3 -0.435 3.525 3.960 -0.000 0.000 0.264 179 G C 1.417 176.331 174.900 0.024 0.000 0.975 179 G CA 0.968 46.083 45.100 0.026 0.000 0.642 179 G HN 0.497 nan 8.290 nan 0.000 0.536 180 S N -0.811 114.903 115.700 0.023 0.000 2.359 180 S HA 0.001 4.471 4.470 -0.000 0.000 0.224 180 S C 1.041 175.653 174.600 0.021 0.000 1.035 180 S CA 1.339 59.552 58.200 0.021 0.000 1.018 180 S CB -0.024 63.188 63.200 0.020 0.000 0.876 180 S HN 0.929 nan 8.310 nan 0.000 0.448 181 L N 2.390 123.627 121.223 0.024 0.000 2.262 181 L HA 0.439 4.779 4.340 -0.000 0.000 0.288 181 L C -0.796 176.090 176.870 0.027 0.000 1.035 181 L CA -0.086 54.769 54.840 0.025 0.000 0.820 181 L CB 0.816 42.892 42.059 0.028 0.000 1.204 181 L HN -0.145 nan 8.230 nan 0.000 0.424 182 S N 3.196 118.911 115.700 0.025 0.000 2.457 182 S HA 0.727 5.197 4.470 -0.000 0.000 0.289 182 S C 0.025 174.641 174.600 0.027 0.000 1.163 182 S CA -0.408 57.808 58.200 0.026 0.000 1.078 182 S CB 0.826 64.039 63.200 0.023 0.000 0.987 182 S HN 0.814 nan 8.310 nan 0.000 0.482 183 T N 1.030 115.603 114.554 0.031 0.000 2.906 183 T HA 0.652 5.002 4.350 -0.000 0.000 0.295 183 T C -1.149 173.571 174.700 0.033 0.000 1.075 183 T CA -0.887 61.232 62.100 0.033 0.000 1.005 183 T CB 1.749 70.640 68.868 0.039 0.000 1.136 183 T HN 0.491 nan 8.240 nan 0.000 0.498 184 Q N 1.161 120.980 119.800 0.032 0.000 2.347 184 Q HA 0.575 4.915 4.340 -0.000 0.000 0.271 184 Q C -1.317 174.702 176.000 0.031 0.000 1.064 184 Q CA -0.925 54.896 55.803 0.030 0.000 0.800 184 Q CB 2.520 31.273 28.738 0.025 0.000 1.304 184 Q HN 0.715 nan 8.270 nan 0.000 0.438 185 V N 5.795 125.727 119.914 0.029 0.000 2.479 185 V HA 0.016 4.136 4.120 -0.000 0.000 0.281 185 V C 0.980 177.088 176.094 0.023 0.000 1.031 185 V CA 0.585 62.901 62.300 0.028 0.000 1.038 185 V CB 0.600 32.435 31.823 0.021 0.000 0.981 185 V HN 0.840 nan 8.190 nan 0.000 0.478 186 L N 3.722 124.962 121.223 0.029 0.000 2.276 186 L HA 0.294 4.634 4.340 -0.000 0.000 0.194 186 L C 0.901 177.784 176.870 0.021 0.000 1.099 186 L CA 0.481 55.338 54.840 0.028 0.000 0.800 186 L CB 0.127 42.209 42.059 0.040 0.000 0.994 186 L HN 0.808 nan 8.230 nan 0.000 0.475 187 E N 0.187 120.402 120.200 0.025 0.000 2.288 187 E HA 0.546 4.896 4.350 -0.000 0.000 0.268 187 E C -1.057 175.498 176.600 -0.076 0.000 0.885 187 E CA -0.644 55.754 56.400 -0.004 0.000 0.767 187 E CB 2.164 31.886 29.700 0.037 0.000 1.220 187 E HN 0.062 nan 8.360 nan 0.000 0.427 188 I N 2.819 123.307 120.570 -0.138 0.000 2.354 188 I HA 0.443 4.613 4.170 -0.000 0.000 0.292 188 I C 0.546 176.413 176.117 -0.417 0.000 0.989 188 I CA -0.664 60.489 61.300 -0.244 0.000 1.188 188 I CB 1.572 39.481 38.000 -0.150 0.000 1.342 188 I HN 0.772 nan 8.210 nan 0.000 0.457 189 G N 2.992 111.289 108.800 -0.839 0.000 2.606 189 G HA2 0.104 4.064 3.960 -0.000 0.000 0.262 189 G HA3 0.104 4.064 3.960 -0.000 0.000 0.262 189 G C 0.183 174.785 174.900 -0.497 0.000 1.394 189 G CA -0.066 44.397 45.100 -1.062 0.000 1.044 189 G HN 0.583 nan 8.290 nan 0.000 0.553 190 D N -1.434 118.803 120.400 -0.271 0.000 2.201 190 D HA -0.036 4.604 4.640 -0.000 0.000 0.209 190 D C 1.204 177.467 176.300 -0.060 0.000 0.961 190 D CA 1.372 55.314 54.000 -0.098 0.000 0.861 190 D CB 0.257 41.055 40.800 -0.002 0.000 0.997 190 D HN 0.348 nan 8.370 nan 0.000 0.486 191 D N -1.031 119.391 120.400 0.036 0.000 2.563 191 D HA 0.101 4.741 4.640 -0.000 0.000 0.237 191 D C -0.087 176.323 176.300 0.183 0.000 1.282 191 D CA -0.497 53.551 54.000 0.081 0.000 0.816 191 D CB -0.719 40.145 40.800 0.105 0.000 1.066 191 D HN 0.330 nan 8.370 nan 0.000 0.501 192 F N -1.237 118.707 119.950 -0.009 0.000 2.745 192 F HA 0.789 5.316 4.527 -0.000 0.000 0.316 192 F C -1.814 173.988 175.800 0.004 0.000 1.155 192 F CA -1.346 56.655 58.000 0.002 0.000 0.937 192 F CB 1.283 40.287 39.000 0.007 0.000 1.361 192 F HN -0.220 nan 8.300 nan 0.000 0.472 193 I N 0.867 121.523 120.570 0.143 0.000 2.722 193 I HA 0.792 4.962 4.170 -0.000 0.000 0.295 193 I C -0.453 175.788 176.117 0.207 0.000 1.161 193 I CA -0.796 60.524 61.300 0.033 0.000 1.032 193 I CB 1.360 39.371 38.000 0.017 0.000 1.244 193 I HN 1.086 nan 8.210 nan 0.000 0.421 194 V N 3.229 123.238 119.914 0.159 0.000 2.384 194 V HA 0.801 4.921 4.120 -0.000 0.000 0.287 194 V C -0.099 176.049 176.094 0.089 0.000 1.020 194 V CA -0.374 62.022 62.300 0.161 0.000 0.850 194 V CB 1.346 33.282 31.823 0.188 0.000 0.987 194 V HN 1.005 nan 8.190 nan 0.000 0.436 195 C N 3.702 123.048 119.300 0.077 0.000 2.614 195 C HA 0.657 5.117 4.460 -0.000 0.000 0.320 195 C C 0.189 175.207 174.990 0.047 0.000 1.200 195 C CA -1.286 57.765 59.018 0.056 0.000 1.700 195 C CB 1.700 29.472 27.740 0.054 0.000 2.275 195 C HN 0.926 nan 8.230 nan 0.000 0.492 196 K N 1.741 122.164 120.400 0.038 0.000 2.264 196 K HA 0.474 4.794 4.320 -0.000 0.000 0.277 196 K C -0.703 175.914 176.600 0.029 0.000 1.067 196 K CA -0.210 56.095 56.287 0.031 0.000 0.900 196 K CB 0.531 33.047 32.500 0.027 0.000 1.124 196 K HN 0.581 nan 8.250 nan 0.000 0.469 197 V N 7.075 127.006 119.914 0.028 0.000 2.493 197 V HA -0.054 4.066 4.120 -0.000 0.000 0.292 197 V C 1.395 177.502 176.094 0.022 0.000 1.016 197 V CA 0.289 62.604 62.300 0.025 0.000 1.097 197 V CB 0.588 32.425 31.823 0.024 0.000 0.947 197 V HN 0.855 nan 8.190 nan 0.000 0.479 198 L N 3.858 125.094 121.223 0.021 0.000 2.202 198 L HA 0.167 4.507 4.340 -0.000 0.000 0.205 198 L C 0.896 177.776 176.870 0.016 0.000 1.083 198 L CA 0.501 55.352 54.840 0.019 0.000 0.790 198 L CB -0.093 41.977 42.059 0.019 0.000 0.942 198 L HN 0.869 nan 8.230 nan 0.000 0.452 199 N N -1.386 117.324 118.700 0.017 0.000 2.262 199 N HA 0.154 4.894 4.740 -0.000 0.000 0.295 199 N C -1.049 174.470 175.510 0.015 0.000 1.161 199 N CA -0.533 52.526 53.050 0.015 0.000 0.767 199 N CB 1.542 40.038 38.487 0.015 0.000 1.499 199 N HN -0.274 nan 8.380 nan 0.000 0.476 200 S N -0.102 115.606 115.700 0.013 0.000 2.448 200 S HA 0.637 5.107 4.470 -0.000 0.000 0.279 200 S C 0.418 175.025 174.600 0.012 0.000 1.195 200 S CA -0.462 57.745 58.200 0.012 0.000 1.051 200 S CB -0.223 62.983 63.200 0.010 0.000 0.948 200 S HN 0.736 nan 8.310 nan 0.000 0.493 201 V N 2.431 122.353 119.914 0.013 0.000 3.182 201 V HA 0.855 4.975 4.120 -0.000 0.000 0.308 201 V C -0.201 175.901 176.094 0.012 0.000 1.240 201 V CA -1.061 61.247 62.300 0.013 0.000 1.063 201 V CB 2.170 34.002 31.823 0.015 0.000 1.076 201 V HN 0.592 nan 8.190 nan 0.000 0.446 202 T N 2.269 116.830 114.554 0.012 0.000 2.833 202 T HA 0.739 5.089 4.350 -0.000 0.000 0.297 202 T C -0.249 174.458 174.700 0.012 0.000 1.015 202 T CA 0.602 62.708 62.100 0.011 0.000 0.963 202 T CB 0.649 69.522 68.868 0.008 0.000 0.955 202 T HN 1.729 nan 8.240 nan 0.000 0.449 203 I N 1.450 122.028 120.570 0.013 0.000 2.460 203 I HA 1.012 5.182 4.170 -0.000 0.000 0.298 203 I C 0.811 176.935 176.117 0.013 0.000 0.989 203 I CA -0.835 60.474 61.300 0.016 0.000 1.173 203 I CB 0.981 38.993 38.000 0.021 0.000 1.338 203 I HN 0.823 nan 8.210 nan 0.000 0.456 204 G N 2.419 111.227 108.800 0.013 0.000 2.849 204 G HA2 0.589 4.549 3.960 -0.000 0.000 0.174 204 G HA3 0.589 4.549 3.960 -0.000 0.000 0.174 204 G C -0.199 174.707 174.900 0.010 0.000 1.370 204 G CA -0.291 44.815 45.100 0.009 0.000 1.040 204 G HN 0.853 nan 8.290 nan 0.000 0.582 205 E N 0.073 120.277 120.200 0.007 0.000 2.231 205 E HA 0.412 4.762 4.350 -0.000 0.000 0.277 205 E C -0.463 176.150 176.600 0.022 0.000 0.999 205 E CA -0.492 55.910 56.400 0.004 0.000 0.827 205 E CB 1.291 30.984 29.700 -0.010 0.000 1.101 205 E HN 0.395 nan 8.360 nan 0.000 0.393 206 R N 1.614 122.136 120.500 0.036 0.000 3.264 206 R HA -0.143 4.197 4.340 -0.000 0.000 0.251 206 R C -0.675 175.663 176.300 0.064 0.000 0.971 206 R CA 0.471 56.614 56.100 0.072 0.000 0.658 206 R CB -1.121 29.221 30.300 0.071 0.000 1.095 206 R HN 0.285 nan 8.270 nan 0.000 0.443 207 K N 1.653 122.088 120.400 0.059 0.000 2.110 207 K HA 0.174 4.494 4.320 -0.000 0.000 0.263 207 K C 0.528 177.157 176.600 0.049 0.000 0.975 207 K CA -0.866 55.450 56.287 0.048 0.000 0.895 207 K CB 0.861 33.385 32.500 0.040 0.000 1.060 207 K HN 0.254 nan 8.250 nan 0.000 0.448 208 N N 1.153 119.874 118.700 0.036 0.000 2.340 208 N HA 0.102 4.842 4.740 -0.000 0.000 0.236 208 N C -0.391 175.131 175.510 0.021 0.000 1.296 208 N CA 0.228 53.291 53.050 0.020 0.000 0.896 208 N CB 0.526 39.020 38.487 0.011 0.000 1.127 208 N HN 0.406 nan 8.380 nan 0.000 0.442 209 M N 0.219 119.821 119.600 0.002 0.000 2.446 209 M HA 0.334 4.814 4.480 -0.000 0.000 0.294 209 M C -1.373 174.923 176.300 -0.007 0.000 1.158 209 M CA -0.587 54.719 55.300 0.011 0.000 0.899 209 M CB 2.016 34.633 32.600 0.028 0.000 1.687 209 M HN 0.638 nan 8.290 nan 0.000 0.455 210 N N 2.092 120.803 118.700 0.018 0.000 2.240 210 N HA 0.663 5.403 4.740 -0.000 0.000 0.302 210 N C -1.505 174.031 175.510 0.043 0.000 1.106 210 N CA -0.670 52.398 53.050 0.030 0.000 0.778 210 N CB 2.187 40.700 38.487 0.044 0.000 1.431 210 N HN 0.511 nan 8.380 nan 0.000 0.479 211 L N 2.195 123.451 121.223 0.055 0.000 2.495 211 L HA 0.449 4.789 4.340 -0.000 0.000 0.248 211 L C -2.436 174.467 176.870 0.056 0.000 1.229 211 L CA -1.738 53.139 54.840 0.061 0.000 0.942 211 L CB 0.835 42.939 42.059 0.074 0.000 1.242 211 L HN 0.247 nan 8.230 nan 0.000 0.484 212 P HA 0.011 nan 4.420 nan 0.000 0.261 212 P C 1.080 178.394 177.300 0.022 0.000 1.183 212 P CA 0.971 64.089 63.100 0.029 0.000 0.761 212 P CB 0.795 32.510 31.700 0.024 0.000 0.785 213 G N 1.521 110.327 108.800 0.009 0.000 2.162 213 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.260 213 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.260 213 G C 0.067 174.974 174.900 0.012 0.000 0.976 213 G CA -0.009 45.093 45.100 0.003 0.000 0.655 213 G HN 0.661 nan 8.290 nan 0.000 0.533 214 C N 0.097 119.411 119.300 0.024 0.000 2.456 214 C HA 0.716 5.176 4.460 -0.000 0.000 0.325 214 C C 0.590 175.589 174.990 0.015 0.000 1.217 214 C CA -1.175 57.865 59.018 0.038 0.000 1.687 214 C CB 1.668 29.451 27.740 0.073 0.000 2.270 214 C HN 0.581 nan 8.230 nan 0.000 0.499 215 K N 1.626 122.017 120.400 -0.015 0.000 2.276 215 K HA 0.501 4.821 4.320 -0.000 0.000 0.283 215 K C -0.859 175.643 176.600 -0.163 0.000 1.044 215 K CA -0.175 56.039 56.287 -0.122 0.000 0.944 215 K CB 0.564 32.931 32.500 -0.221 0.000 1.012 215 K HN 0.565 nan 8.250 nan 0.000 0.472 216 V N 5.277 125.130 119.914 -0.101 0.000 2.383 216 V HA 0.117 4.237 4.120 -0.000 0.000 0.275 216 V C -0.494 175.502 176.094 -0.164 0.000 1.036 216 V CA -0.690 61.527 62.300 -0.137 0.000 0.889 216 V CB 0.780 32.504 31.823 -0.165 0.000 0.985 216 V HN 0.781 nan 8.190 nan 0.000 0.459 217 H N 5.115 124.301 119.070 0.192 0.000 2.680 217 H HA 0.539 5.095 4.556 0.000 0.000 0.224 217 H C -0.368 175.075 175.328 0.192 0.000 1.866 217 H CA 0.016 56.182 56.048 0.196 0.000 1.302 217 H CB -0.190 29.698 29.762 0.209 0.000 1.709 217 H HN 0.454 nan 8.280 nan 0.000 0.537 218 L N 1.625 122.917 121.223 0.114 0.000 2.362 218 L HA 0.447 4.787 4.340 -0.000 0.000 0.271 218 L C -2.062 174.835 176.870 0.045 0.000 1.002 218 L CA -2.438 52.438 54.840 0.059 0.000 0.818 218 L CB 2.045 44.051 42.059 -0.088 0.000 1.298 218 L HN 0.226 nan 8.230 nan 0.000 0.420 219 P HA 0.068 nan 4.420 nan 0.000 0.263 219 P C 0.748 178.064 177.300 0.027 0.000 1.195 219 P CA 0.162 63.285 63.100 0.039 0.000 0.762 219 P CB 0.815 32.535 31.700 0.033 0.000 0.799 220 I N 2.959 123.555 120.570 0.044 0.000 2.394 220 I HA -0.079 4.091 4.170 -0.000 0.000 0.251 220 I C 0.425 176.561 176.117 0.032 0.000 1.136 220 I CA 1.113 62.444 61.300 0.052 0.000 1.425 220 I CB 0.289 38.328 38.000 0.065 0.000 1.079 220 I HN 0.250 nan 8.210 nan 0.000 0.425 221 I N 1.071 121.657 120.570 0.027 0.000 2.437 221 I HA 0.302 4.472 4.170 -0.000 0.000 0.279 221 I C 0.617 176.750 176.117 0.026 0.000 1.028 221 I CA -0.556 60.759 61.300 0.025 0.000 1.142 221 I CB 1.149 39.163 38.000 0.023 0.000 1.266 221 I HN 0.003 nan 8.210 nan 0.000 0.461 222 G N 3.339 112.154 108.800 0.025 0.000 2.509 222 G HA2 0.104 4.064 3.960 -0.000 0.000 0.269 222 G HA3 0.104 4.064 3.960 -0.000 0.000 0.269 222 G C 0.438 175.361 174.900 0.040 0.000 1.416 222 G CA -0.146 44.970 45.100 0.027 0.000 1.052 222 G HN 0.495 nan 8.290 nan 0.000 0.542 223 D N -0.764 119.659 120.400 0.038 0.000 2.123 223 D HA -0.089 4.551 4.640 -0.000 0.000 0.200 223 D C 2.174 178.524 176.300 0.082 0.000 0.976 223 D CA 1.009 55.038 54.000 0.047 0.000 0.831 223 D CB -0.000 40.813 40.800 0.023 0.000 0.974 223 D HN 0.502 nan 8.370 nan 0.000 0.469 224 K N 0.984 121.432 120.400 0.080 0.000 2.057 224 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 224 K C 1.389 178.088 176.600 0.164 0.000 1.049 224 K CA 1.488 57.855 56.287 0.133 0.000 0.931 224 K CB 0.127 32.690 32.500 0.106 0.000 0.714 224 K HN -0.117 nan 8.250 nan 0.000 0.440 225 D N 0.411 120.871 120.400 0.099 0.000 2.117 225 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 225 D C 2.021 178.362 176.300 0.069 0.000 0.987 225 D CA 1.018 55.059 54.000 0.067 0.000 0.829 225 D CB -0.195 40.627 40.800 0.035 0.000 0.961 225 D HN 0.328 nan 8.370 nan 0.000 0.460 226 R N -0.036 120.515 120.500 0.085 0.000 2.096 226 R HA -0.185 4.155 4.340 -0.000 0.000 0.235 226 R C 2.259 178.645 176.300 0.142 0.000 1.127 226 R CA 1.288 57.441 56.100 0.089 0.000 0.968 226 R CB -0.192 30.156 30.300 0.080 0.000 0.861 226 R HN 0.201 nan 8.270 nan 0.000 0.440 227 H N 0.814 119.934 119.070 0.083 0.000 2.357 227 H HA -0.072 4.484 4.556 -0.000 0.000 0.301 227 H C 1.311 176.785 175.328 0.244 0.000 1.082 227 H CA 2.119 58.243 56.048 0.127 0.000 1.342 227 H CB -0.081 29.728 29.762 0.077 0.000 1.389 227 H HN 0.272 nan 8.280 nan 0.000 0.511 228 D N -0.068 120.426 120.400 0.158 0.000 2.117 228 D HA -0.105 4.535 4.640 -0.000 0.000 0.198 228 D C 2.447 178.660 176.300 -0.145 0.000 0.982 228 D CA 1.152 55.155 54.000 0.005 0.000 0.828 228 D CB -0.121 40.630 40.800 -0.082 0.000 0.967 228 D HN 0.453 nan 8.370 nan 0.000 0.464 229 I N 0.407 120.931 120.570 -0.077 0.000 2.163 229 I HA -0.208 3.962 4.170 -0.000 0.000 0.240 229 I C 2.361 178.456 176.117 -0.036 0.000 1.081 229 I CA 0.732 61.988 61.300 -0.073 0.000 1.353 229 I CB -0.040 37.940 38.000 -0.034 0.000 1.054 229 I HN -0.115 nan 8.210 nan 0.000 0.407 230 V N 0.109 120.031 119.914 0.012 0.000 2.331 230 V HA -0.175 3.945 4.120 -0.000 0.000 0.242 230 V C 1.395 177.495 176.094 0.010 0.000 1.034 230 V CA 1.646 63.980 62.300 0.057 0.000 1.027 230 V CB -0.494 31.399 31.823 0.116 0.000 0.667 230 V HN 0.353 nan 8.190 nan 0.000 0.457 231 D N -1.753 118.633 120.400 -0.024 0.000 2.328 231 D HA 0.107 4.747 4.640 -0.000 0.000 0.226 231 D C 1.107 177.255 176.300 -0.254 0.000 1.066 231 D CA 0.533 54.442 54.000 -0.151 0.000 0.861 231 D CB 0.739 41.510 40.800 -0.049 0.000 0.912 231 D HN 0.481 nan 8.370 nan 0.000 0.521 232 F N 0.337 120.075 119.950 -0.353 0.000 2.102 232 F HA 0.252 4.779 4.527 0.000 0.000 0.254 232 F C 2.114 177.773 175.800 -0.236 0.000 0.975 232 F CA 0.211 58.024 58.000 -0.312 0.000 1.176 232 F CB -0.109 38.661 39.000 -0.383 0.000 1.358 232 F HN -0.116 nan 8.300 nan 0.000 0.728 233 A N 1.081 123.923 122.820 0.036 0.000 1.858 233 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 233 A C 2.024 179.561 177.584 -0.078 0.000 1.190 233 A CA 2.010 54.042 52.037 -0.008 0.000 0.617 233 A CB -1.204 17.753 19.000 -0.072 0.000 0.827 233 A HN 0.447 nan 8.150 nan 0.000 0.443 234 L N -0.880 120.281 121.223 -0.102 0.000 2.109 234 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 234 L C 2.629 179.384 176.870 -0.192 0.000 1.086 234 L CA 1.689 56.484 54.840 -0.075 0.000 0.760 234 L CB -0.412 41.663 42.059 0.026 0.000 0.910 234 L HN 0.501 nan 8.230 nan 0.000 0.437 235 K N 0.172 120.247 120.400 -0.542 0.000 2.002 235 K HA -0.195 4.125 4.320 -0.000 0.000 0.209 235 K C 1.749 177.912 176.600 -0.728 0.000 1.048 235 K CA 1.700 57.289 56.287 -1.163 0.000 0.930 235 K CB -0.120 31.287 32.500 -1.822 0.000 0.714 235 K HN 0.151 nan 8.250 nan 0.000 0.438 236 Y N 0.666 120.737 120.300 -0.381 0.000 2.466 236 Y HA 0.178 4.728 4.550 0.000 0.000 0.272 236 Y C 0.088 175.889 175.900 -0.164 0.000 1.169 236 Y CA 0.100 58.034 58.100 -0.276 0.000 1.285 236 Y CB -0.525 37.688 38.460 -0.410 0.000 1.078 236 Y HN 0.281 nan 8.280 nan 0.000 0.523 237 N N 0.859 119.533 118.700 -0.043 0.000 2.771 237 N HA -0.175 4.565 4.740 -0.000 0.000 0.249 237 N C -0.772 174.723 175.510 -0.026 0.000 1.069 237 N CA -0.325 52.707 53.050 -0.031 0.000 0.688 237 N CB -0.899 37.580 38.487 -0.013 0.000 0.928 237 N HN 0.223 nan 8.380 nan 0.000 0.551 238 L N -0.025 121.187 121.223 -0.018 0.000 2.475 238 L HA 0.156 4.496 4.340 -0.000 0.000 0.250 238 L C 1.375 178.170 176.870 -0.125 0.000 1.224 238 L CA -0.174 54.652 54.840 -0.022 0.000 0.821 238 L CB 0.230 42.313 42.059 0.040 0.000 1.141 238 L HN 0.227 nan 8.230 nan 0.000 0.494 239 D N -0.621 119.641 120.400 -0.230 0.000 2.379 239 D HA 0.155 4.795 4.640 -0.000 0.000 0.218 239 D C -0.260 175.533 176.300 -0.845 0.000 1.006 239 D CA 0.940 54.573 54.000 -0.612 0.000 0.893 239 D CB 0.608 40.869 40.800 -0.898 0.000 1.019 239 D HN 0.163 nan 8.370 nan 0.000 0.503 240 F N 0.523 120.472 119.950 -0.003 0.000 2.565 240 F HA 0.475 5.002 4.527 0.000 0.000 0.313 240 F C -0.120 175.662 175.800 -0.030 0.000 1.091 240 F CA -0.999 56.994 58.000 -0.012 0.000 0.915 240 F CB 2.161 41.158 39.000 -0.006 0.000 1.208 240 F HN -0.380 nan 8.300 nan 0.000 0.453 241 I N 2.802 123.453 120.570 0.135 0.000 2.354 241 I HA 0.444 4.614 4.170 -0.000 0.000 0.286 241 I C -0.166 175.984 176.117 0.055 0.000 1.007 241 I CA -0.808 60.521 61.300 0.048 0.000 1.167 241 I CB 1.454 39.454 38.000 -0.000 0.000 1.320 241 I HN 0.744 nan 8.210 nan 0.000 0.458 242 A N 7.486 130.327 122.820 0.035 0.000 2.437 242 A HA 0.358 4.678 4.320 -0.000 0.000 0.303 242 A C -0.457 177.130 177.584 0.006 0.000 1.324 242 A CA -0.290 51.757 52.037 0.018 0.000 0.983 242 A CB -0.077 18.930 19.000 0.011 0.000 1.142 242 A HN 0.605 nan 8.150 nan 0.000 0.541 243 L N 3.497 124.725 121.223 0.009 0.000 2.283 243 L HA 0.304 4.644 4.340 -0.000 0.000 0.287 243 L C 0.402 177.288 176.870 0.027 0.000 1.073 243 L CA 0.598 55.444 54.840 0.010 0.000 0.822 243 L CB 0.672 42.734 42.059 0.005 0.000 1.186 243 L HN 0.561 nan 8.230 nan 0.000 0.436 244 S N 4.972 120.698 115.700 0.044 0.000 2.565 244 S HA 0.294 4.764 4.470 -0.000 0.000 0.276 244 S C 0.114 174.816 174.600 0.171 0.000 1.326 244 S CA -0.195 58.058 58.200 0.088 0.000 1.045 244 S CB 0.014 63.260 63.200 0.077 0.000 0.918 244 S HN 0.614 nan 8.310 nan 0.000 0.505 245 F N 1.493 121.426 119.950 -0.029 0.000 3.040 245 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 245 F C -0.186 175.591 175.800 -0.037 0.000 0.948 245 F CA -0.248 57.730 58.000 -0.037 0.000 1.022 245 F CB -1.187 37.782 39.000 -0.052 0.000 1.023 245 F HN 0.309 nan 8.300 nan 0.000 0.742 246 V N 2.423 122.299 119.914 -0.063 0.000 2.470 246 V HA -0.014 4.106 4.120 -0.000 0.000 0.276 246 V C 1.051 177.046 176.094 -0.166 0.000 1.040 246 V CA 0.693 62.947 62.300 -0.077 0.000 1.008 246 V CB 1.455 33.243 31.823 -0.058 0.000 0.990 246 V HN 0.504 nan 8.190 nan 0.000 0.477 247 Q N 3.193 122.910 119.800 -0.138 0.000 2.350 247 Q HA 0.204 4.544 4.340 -0.000 0.000 0.225 247 Q C 0.052 175.996 176.000 -0.093 0.000 0.878 247 Q CA 0.221 55.928 55.803 -0.160 0.000 0.935 247 Q CB 0.649 29.292 28.738 -0.158 0.000 1.099 247 Q HN 1.029 nan 8.270 nan 0.000 0.527 248 N N -3.226 115.434 118.700 -0.067 0.000 3.046 248 N HA 0.194 4.934 4.740 -0.000 0.000 0.243 248 N C 0.360 175.838 175.510 -0.052 0.000 1.452 248 N CA -0.317 52.702 53.050 -0.053 0.000 0.882 248 N CB 0.121 38.588 38.487 -0.034 0.000 1.425 248 N HN -0.111 nan 8.380 nan 0.000 0.517 249 G N -0.772 107.996 108.800 -0.053 0.000 2.448 249 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.219 249 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.219 249 G C 1.217 176.096 174.900 -0.035 0.000 1.127 249 G CA 1.049 46.117 45.100 -0.054 0.000 0.766 249 G HN 0.823 nan 8.290 nan 0.000 0.552 250 A N 1.234 124.040 122.820 -0.023 0.000 1.933 250 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 250 A C 2.080 179.660 177.584 -0.007 0.000 1.175 250 A CA 1.998 54.029 52.037 -0.011 0.000 0.628 250 A CB -0.346 18.654 19.000 -0.001 0.000 0.814 250 A HN 0.278 nan 8.150 nan 0.000 0.444 251 D N -0.130 120.264 120.400 -0.009 0.000 2.123 251 D HA -0.118 4.522 4.640 -0.000 0.000 0.196 251 D C 2.046 178.341 176.300 -0.008 0.000 0.992 251 D CA 1.542 55.541 54.000 -0.002 0.000 0.833 251 D CB -0.446 40.353 40.800 -0.003 0.000 0.954 251 D HN 0.253 nan 8.370 nan 0.000 0.455 252 V N 0.852 120.753 119.914 -0.022 0.000 2.427 252 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 252 V C 2.442 178.525 176.094 -0.018 0.000 1.051 252 V CA 1.484 63.769 62.300 -0.025 0.000 1.048 252 V CB -0.530 31.267 31.823 -0.043 0.000 0.666 252 V HN 0.184 nan 8.190 nan 0.000 0.456 253 Q N -0.420 119.370 119.800 -0.017 0.000 2.170 253 Q HA -0.125 4.215 4.340 -0.000 0.000 0.203 253 Q C 2.309 178.306 176.000 -0.005 0.000 0.976 253 Q CA 1.351 57.147 55.803 -0.012 0.000 0.858 253 Q CB -0.225 28.506 28.738 -0.012 0.000 0.907 253 Q HN 0.554 nan 8.270 nan 0.000 0.433 254 L N -0.279 120.943 121.223 -0.001 0.000 2.042 254 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 254 L C 2.670 179.542 176.870 0.004 0.000 1.076 254 L CA 0.864 55.707 54.840 0.005 0.000 0.749 254 L CB -0.519 41.546 42.059 0.010 0.000 0.893 254 L HN 0.430 nan 8.230 nan 0.000 0.432 255 C N -0.075 119.226 119.300 0.001 0.000 2.440 255 C HA -0.124 4.336 4.460 -0.000 0.000 0.278 255 C C 3.015 178.003 174.990 -0.002 0.000 1.295 255 C CA 0.622 59.640 59.018 0.000 0.000 1.738 255 C CB -0.599 27.139 27.740 -0.003 0.000 1.987 255 C HN 0.427 nan 8.230 nan 0.000 0.492 256 R N 0.525 121.022 120.500 -0.005 0.000 2.096 256 R HA -0.065 4.275 4.340 -0.000 0.000 0.235 256 R C 2.417 178.715 176.300 -0.004 0.000 1.127 256 R CA 1.605 57.701 56.100 -0.007 0.000 0.968 256 R CB -0.541 29.753 30.300 -0.010 0.000 0.861 256 R HN 0.554 nan 8.270 nan 0.000 0.440 257 Q N -0.074 119.725 119.800 -0.002 0.000 2.119 257 Q HA -0.077 4.263 4.340 -0.000 0.000 0.201 257 Q C 2.221 178.222 176.000 0.002 0.000 0.972 257 Q CA 1.414 57.217 55.803 -0.000 0.000 0.847 257 Q CB -0.116 28.623 28.738 0.002 0.000 0.903 257 Q HN 0.422 nan 8.270 nan 0.000 0.433 258 I N 0.344 120.917 120.570 0.005 0.000 2.226 258 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 258 I C 2.205 178.327 176.117 0.009 0.000 1.100 258 I CA 0.925 62.231 61.300 0.010 0.000 1.374 258 I CB -0.262 37.746 38.000 0.014 0.000 1.057 258 I HN 0.118 nan 8.210 nan 0.000 0.413 259 I N 0.538 121.110 120.570 0.004 0.000 2.226 259 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 259 I C 2.698 178.815 176.117 0.000 0.000 1.100 259 I CA 1.787 63.088 61.300 0.002 0.000 1.374 259 I CB -0.359 37.638 38.000 -0.005 0.000 1.057 259 I HN 0.309 nan 8.210 nan 0.000 0.413 260 S N -0.034 115.665 115.700 -0.003 0.000 2.406 260 S HA -0.120 4.350 4.470 -0.000 0.000 0.228 260 S C 1.742 176.338 174.600 -0.006 0.000 1.020 260 S CA 0.752 58.949 58.200 -0.005 0.000 0.965 260 S CB -0.388 62.808 63.200 -0.006 0.000 0.798 260 S HN 0.480 nan 8.310 nan 0.000 0.488 261 E N 1.465 121.663 120.200 -0.004 0.000 2.358 261 E HA 0.122 4.472 4.350 -0.000 0.000 0.195 261 E C -0.183 176.410 176.600 -0.011 0.000 1.010 261 E CA 0.232 56.628 56.400 -0.006 0.000 0.856 261 E CB 0.053 29.752 29.700 -0.002 0.000 0.795 261 E HN 0.534 nan 8.360 nan 0.000 0.504 262 N N 0.857 119.554 118.700 -0.005 0.000 2.564 262 N HA 0.061 4.801 4.740 -0.000 0.000 0.248 262 N C -0.351 175.151 175.510 -0.013 0.000 0.986 262 N CA 0.100 53.144 53.050 -0.010 0.000 0.921 262 N CB 1.711 40.210 38.487 0.020 0.000 1.136 262 N HN -0.002 nan 8.380 nan 0.000 0.509 263 T N -1.229 113.298 114.554 -0.045 0.000 3.228 263 T HA 0.104 4.454 4.350 -0.000 0.000 0.278 263 T C 1.062 175.703 174.700 -0.099 0.000 1.014 263 T CA -0.197 61.877 62.100 -0.043 0.000 0.904 263 T CB 0.331 69.179 68.868 -0.034 0.000 1.110 263 T HN 0.079 nan 8.240 nan 0.000 0.541 264 Q N 0.729 120.402 119.800 -0.212 0.000 2.135 264 Q HA -0.039 4.301 4.340 -0.000 0.000 0.204 264 Q C 0.581 176.330 176.000 -0.419 0.000 0.981 264 Q CA 1.877 57.434 55.803 -0.410 0.000 0.856 264 Q CB -0.594 27.701 28.738 -0.739 0.000 0.902 264 Q HN 0.790 nan 8.270 nan 0.000 0.425 265 Y N -1.120 119.150 120.300 -0.051 0.000 2.458 265 Y HA 0.229 4.779 4.550 0.000 0.000 0.256 265 Y C 0.904 176.777 175.900 -0.046 0.000 1.159 265 Y CA 0.211 58.275 58.100 -0.060 0.000 1.261 265 Y CB 0.522 38.923 38.460 -0.099 0.000 1.119 265 Y HN 0.059 nan 8.280 nan 0.000 0.524 266 S N -1.819 113.918 115.700 0.060 0.000 2.843 266 S HA 0.249 4.719 4.470 -0.000 0.000 0.249 266 S C 0.775 175.379 174.600 0.006 0.000 1.047 266 S CA 0.036 58.257 58.200 0.034 0.000 1.042 266 S CB -1.228 61.989 63.200 0.028 0.000 0.936 266 S HN 0.473 nan 8.310 nan 0.000 0.531 267 N N 0.391 119.086 118.700 -0.008 0.000 2.721 267 N HA -0.033 4.707 4.740 -0.000 0.000 0.249 267 N C 1.681 177.179 175.510 -0.019 0.000 1.072 267 N CA 1.279 54.319 53.050 -0.016 0.000 0.710 267 N CB -2.104 36.380 38.487 -0.004 0.000 0.993 267 N HN 2.222 nan 8.380 nan 0.000 0.547 268 G N -3.187 105.598 108.800 -0.026 0.000 2.345 268 G HA2 0.281 4.241 3.960 -0.000 0.000 0.218 268 G HA3 0.281 4.241 3.960 -0.000 0.000 0.218 268 G C 1.108 175.999 174.900 -0.016 0.000 1.058 268 G CA 1.416 46.502 45.100 -0.024 0.000 0.632 268 G HN 2.344 nan 8.290 nan 0.000 0.508 269 I N 2.370 122.933 120.570 -0.011 0.000 2.533 269 I HA 0.673 4.843 4.170 -0.000 0.000 0.284 269 I C -1.027 175.085 176.117 -0.007 0.000 1.109 269 I CA -1.409 59.886 61.300 -0.008 0.000 1.412 269 I CB -0.506 37.490 38.000 -0.005 0.000 1.396 269 I HN 0.146 nan 8.210 nan 0.000 0.543 270 P HA 0.180 nan 4.420 nan 0.000 0.267 270 P C 0.267 177.561 177.300 -0.010 0.000 1.200 270 P CA 0.097 63.192 63.100 -0.008 0.000 0.772 270 P CB 0.704 32.399 31.700 -0.009 0.000 0.855 271 S N 1.191 116.885 115.700 -0.010 0.000 2.579 271 S HA 0.127 4.597 4.470 -0.000 0.000 0.275 271 S C 1.151 175.734 174.600 -0.029 0.000 1.345 271 S CA 0.049 58.237 58.200 -0.019 0.000 1.031 271 S CB -0.089 63.099 63.200 -0.020 0.000 0.892 271 S HN 0.480 nan 8.310 nan 0.000 0.529 272 S N 2.387 118.062 115.700 -0.042 0.000 2.597 272 S HA 0.121 4.590 4.470 -0.000 0.000 0.224 272 S C 0.731 175.286 174.600 -0.075 0.000 0.955 272 S CA -0.126 58.044 58.200 -0.049 0.000 0.933 272 S CB -1.182 61.989 63.200 -0.049 0.000 0.788 272 S HN 0.962 nan 8.310 nan 0.000 0.488 273 I N 0.131 120.650 120.570 -0.085 0.000 2.906 273 I HA 0.263 4.433 4.170 -0.000 0.000 0.302 273 I C 0.221 176.297 176.117 -0.068 0.000 1.220 273 I CA -0.937 60.295 61.300 -0.113 0.000 1.441 273 I CB -0.937 37.015 38.000 -0.080 0.000 1.336 273 I HN 0.161 nan 8.210 nan 0.000 0.565 274 K N 5.595 125.954 120.400 -0.067 0.000 2.218 274 K HA 0.571 4.891 4.320 -0.000 0.000 0.276 274 K C -0.252 176.401 176.600 0.089 0.000 1.022 274 K CA -0.448 55.870 56.287 0.052 0.000 0.946 274 K CB 1.459 34.073 32.500 0.190 0.000 1.000 274 K HN 0.785 nan 8.250 nan 0.000 0.468 275 I N 4.342 124.947 120.570 0.059 0.000 2.307 275 I HA 0.149 4.319 4.170 -0.000 0.000 0.289 275 I C -0.103 176.040 176.117 0.044 0.000 1.021 275 I CA -0.685 60.641 61.300 0.043 0.000 1.224 275 I CB 0.629 38.635 38.000 0.009 0.000 1.376 275 I HN 0.180 nan 8.210 nan 0.000 0.470 276 I N 5.367 125.970 120.570 0.055 0.000 2.291 276 I HA 0.206 4.376 4.170 -0.000 0.000 0.290 276 I C 0.466 176.585 176.117 0.004 0.000 1.050 276 I CA -0.106 61.208 61.300 0.024 0.000 1.245 276 I CB 0.697 38.705 38.000 0.013 0.000 1.405 276 I HN 0.423 nan 8.210 nan 0.000 0.478 277 S N 6.549 122.239 115.700 -0.016 0.000 2.523 277 S HA 0.289 4.759 4.470 -0.000 0.000 0.275 277 S C 0.294 174.888 174.600 -0.010 0.000 1.281 277 S CA -0.601 57.585 58.200 -0.024 0.000 1.050 277 S CB 0.719 63.883 63.200 -0.059 0.000 0.937 277 S HN 0.376 nan 8.310 nan 0.000 0.492 278 K N 2.872 123.271 120.400 -0.002 0.000 2.262 278 K HA 0.323 4.643 4.320 -0.000 0.000 0.282 278 K C -0.616 175.975 176.600 -0.014 0.000 1.066 278 K CA -0.441 55.850 56.287 0.006 0.000 0.901 278 K CB 0.566 33.078 32.500 0.021 0.000 1.089 278 K HN 0.417 nan 8.250 nan 0.000 0.476 279 I N 4.311 124.883 120.570 0.002 0.000 2.308 279 I HA 0.040 4.210 4.170 -0.000 0.000 0.293 279 I C 0.858 176.941 176.117 -0.056 0.000 1.078 279 I CA 0.438 61.725 61.300 -0.022 0.000 1.292 279 I CB 0.494 38.535 38.000 0.068 0.000 1.423 279 I HN 0.762 nan 8.210 nan 0.000 0.493 280 E N 4.237 124.355 120.200 -0.137 0.000 2.485 280 E HA 0.060 4.410 4.350 -0.000 0.000 0.213 280 E C 0.063 176.577 176.600 -0.144 0.000 0.923 280 E CA -0.014 56.327 56.400 -0.098 0.000 1.054 280 E CB 0.691 30.391 29.700 0.001 0.000 1.077 280 E HN 0.702 nan 8.360 nan 0.000 0.509 281 N N 0.146 118.682 118.700 -0.273 0.000 2.831 281 N HA 0.053 4.793 4.740 -0.000 0.000 0.276 281 N C 0.348 175.759 175.510 -0.165 0.000 1.416 281 N CA -0.653 52.269 53.050 -0.214 0.000 0.799 281 N CB 1.091 39.390 38.487 -0.313 0.000 1.554 281 N HN -0.085 nan 8.380 nan 0.000 0.541 282 L N 0.076 121.231 121.223 -0.113 0.000 2.131 282 L HA 0.023 4.363 4.340 -0.000 0.000 0.210 282 L C 2.091 178.908 176.870 -0.088 0.000 1.092 282 L CA 1.883 56.672 54.840 -0.085 0.000 0.759 282 L CB -0.807 41.218 42.059 -0.057 0.000 0.903 282 L HN 0.824 nan 8.230 nan 0.000 0.435 283 E N -0.579 119.550 120.200 -0.119 0.000 2.077 283 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 283 E C 2.159 178.698 176.600 -0.101 0.000 0.989 283 E CA 1.386 57.721 56.400 -0.109 0.000 0.800 283 E CB -0.699 28.918 29.700 -0.138 0.000 0.746 283 E HN 0.470 nan 8.360 nan 0.000 0.452 284 G N -0.164 108.549 108.800 -0.144 0.000 2.418 284 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 284 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 284 G C 1.700 176.612 174.900 0.020 0.000 1.158 284 G CA 1.013 46.061 45.100 -0.087 0.000 0.771 284 G HN 0.254 nan 8.290 nan 0.000 0.545 285 V N 1.063 120.971 119.914 -0.011 0.000 2.343 285 V HA -0.135 3.985 4.120 -0.000 0.000 0.247 285 V C 2.752 178.860 176.094 0.023 0.000 1.051 285 V CA 1.423 63.723 62.300 0.000 0.000 1.036 285 V CB -0.357 31.422 31.823 -0.072 0.000 0.654 285 V HN 0.384 nan 8.190 nan 0.000 0.451 286 I N 0.570 121.137 120.570 -0.004 0.000 2.226 286 I HA -0.175 3.995 4.170 -0.000 0.000 0.245 286 I C 1.413 177.546 176.117 0.026 0.000 1.100 286 I CA 1.343 62.643 61.300 -0.000 0.000 1.374 286 I CB -0.265 37.724 38.000 -0.018 0.000 1.057 286 I HN 0.381 nan 8.210 nan 0.000 0.413 287 N N 0.254 118.968 118.700 0.025 0.000 2.327 287 N HA 0.029 4.769 4.740 -0.000 0.000 0.231 287 N C 1.140 176.669 175.510 0.033 0.000 1.130 287 N CA 0.006 53.065 53.050 0.015 0.000 0.845 287 N CB 0.190 38.665 38.487 -0.020 0.000 1.073 287 N HN 0.228 nan 8.380 nan 0.000 0.496 288 F N 2.222 122.136 119.950 -0.059 0.000 2.095 288 F HA -0.189 4.338 4.527 0.000 0.000 0.298 288 F C 1.522 177.294 175.800 -0.047 0.000 1.104 288 F CA 1.623 59.589 58.000 -0.058 0.000 1.232 288 F CB 0.212 39.176 39.000 -0.060 0.000 0.987 288 F HN -0.046 nan 8.300 nan 0.000 0.475 289 D N -0.558 119.874 120.400 0.053 0.000 2.123 289 D HA -0.199 4.441 4.640 -0.000 0.000 0.196 289 D C 2.518 178.742 176.300 -0.128 0.000 0.992 289 D CA 1.568 55.548 54.000 -0.034 0.000 0.833 289 D CB -0.812 40.013 40.800 0.041 0.000 0.954 289 D HN 0.321 nan 8.370 nan 0.000 0.455 290 S N -0.324 115.319 115.700 -0.095 0.000 2.368 290 S HA -0.111 4.359 4.470 -0.000 0.000 0.225 290 S C 2.087 176.598 174.600 -0.148 0.000 1.030 290 S CA 0.694 58.837 58.200 -0.096 0.000 0.999 290 S CB -0.284 62.879 63.200 -0.061 0.000 0.844 290 S HN 0.185 nan 8.310 nan 0.000 0.459 291 I N 0.701 121.145 120.570 -0.211 0.000 2.202 291 I HA -0.169 4.001 4.170 -0.000 0.000 0.242 291 I C 2.788 178.714 176.117 -0.320 0.000 1.091 291 I CA 1.103 62.254 61.300 -0.248 0.000 1.368 291 I CB -0.564 37.272 38.000 -0.273 0.000 1.058 291 I HN 0.486 nan 8.210 nan 0.000 0.410 292 C N 0.377 119.366 119.300 -0.518 0.000 2.429 292 C HA -0.158 4.302 4.460 -0.000 0.000 0.277 292 C C 3.244 178.096 174.990 -0.230 0.000 1.262 292 C CA 1.669 60.407 59.018 -0.467 0.000 1.733 292 C CB -0.893 26.468 27.740 -0.631 0.000 2.010 292 C HN 0.488 nan 8.230 nan 0.000 0.483 293 S N 0.179 115.770 115.700 -0.181 0.000 2.370 293 S HA -0.192 4.278 4.470 -0.000 0.000 0.226 293 S C 1.733 176.280 174.600 -0.087 0.000 1.033 293 S CA 1.951 60.087 58.200 -0.105 0.000 1.011 293 S CB -0.393 62.758 63.200 -0.082 0.000 0.852 293 S HN 0.718 nan 8.310 nan 0.000 0.457 294 E N 1.236 121.377 120.200 -0.098 0.000 2.112 294 E HA 0.106 4.456 4.350 -0.000 0.000 0.190 294 E C 0.597 177.157 176.600 -0.066 0.000 0.979 294 E CA 0.270 56.627 56.400 -0.072 0.000 0.814 294 E CB 0.114 29.772 29.700 -0.070 0.000 0.762 294 E HN 0.307 nan 8.360 nan 0.000 0.460 295 S N 0.622 116.269 115.700 -0.088 0.000 2.645 295 S HA 0.093 4.563 4.470 -0.000 0.000 0.266 295 S C 0.310 174.883 174.600 -0.045 0.000 1.258 295 S CA -0.529 57.631 58.200 -0.067 0.000 0.990 295 S CB 0.798 63.944 63.200 -0.090 0.000 0.967 295 S HN 0.145 nan 8.310 nan 0.000 0.556 296 D N 0.285 120.676 120.400 -0.015 0.000 2.327 296 D HA 0.235 4.875 4.640 -0.000 0.000 0.205 296 D C 0.836 177.145 176.300 0.014 0.000 0.989 296 D CA 0.548 54.554 54.000 0.009 0.000 0.873 296 D CB 0.286 41.110 40.800 0.041 0.000 0.955 296 D HN 0.610 nan 8.370 nan 0.000 0.515 297 G N -0.206 108.594 108.800 0.001 0.000 2.608 297 G HA2 0.518 4.478 3.960 -0.000 0.000 0.291 297 G HA3 0.518 4.478 3.960 -0.000 0.000 0.291 297 G C -1.693 173.194 174.900 -0.021 0.000 1.425 297 G CA -0.489 44.608 45.100 -0.005 0.000 0.787 297 G HN -0.100 nan 8.290 nan 0.000 0.484 298 I N 0.622 121.189 120.570 -0.004 0.000 2.582 298 I HA 0.496 4.666 4.170 -0.000 0.000 0.292 298 I C -0.502 175.632 176.117 0.028 0.000 1.066 298 I CA -0.683 60.629 61.300 0.021 0.000 1.053 298 I CB 1.968 40.028 38.000 0.099 0.000 1.241 298 I HN 0.571 nan 8.210 nan 0.000 0.421 299 M N 6.123 125.740 119.600 0.027 0.000 2.181 299 M HA 0.410 4.890 4.480 -0.000 0.000 0.323 299 M C -1.197 175.123 176.300 0.033 0.000 1.004 299 M CA -0.703 54.607 55.300 0.017 0.000 0.941 299 M CB 1.502 34.101 32.600 -0.001 0.000 1.579 299 M HN 0.274 nan 8.290 nan 0.000 0.427 300 V N 5.442 125.371 119.914 0.025 0.000 2.302 300 V HA 0.159 4.279 4.120 -0.000 0.000 0.244 300 V C 0.732 176.828 176.094 0.004 0.000 1.160 300 V CA -0.242 62.064 62.300 0.011 0.000 1.127 300 V CB -0.306 31.511 31.823 -0.010 0.000 1.253 300 V HN 0.881 nan 8.190 nan 0.000 0.496 301 A N 5.369 128.193 122.820 0.007 0.000 2.899 301 A HA 0.230 4.550 4.320 -0.000 0.000 0.287 301 A C 1.549 179.138 177.584 0.008 0.000 1.715 301 A CA -0.181 51.863 52.037 0.012 0.000 1.393 301 A CB -0.412 18.600 19.000 0.021 0.000 1.070 301 A HN 0.846 nan 8.150 nan 0.000 0.587 302 R N 1.608 122.112 120.500 0.007 0.000 2.120 302 R HA -0.105 4.235 4.340 -0.000 0.000 0.234 302 R C 2.365 178.673 176.300 0.014 0.000 1.123 302 R CA 1.468 57.572 56.100 0.005 0.000 0.975 302 R CB -0.163 30.142 30.300 0.008 0.000 0.866 302 R HN 0.712 nan 8.270 nan 0.000 0.446 303 G N 1.091 109.903 108.800 0.021 0.000 2.514 303 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.217 303 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.217 303 G C 1.021 175.941 174.900 0.033 0.000 1.198 303 G CA 1.218 46.334 45.100 0.028 0.000 0.780 303 G HN 0.234 nan 8.290 nan 0.000 0.565 304 D N 0.051 120.475 120.400 0.042 0.000 2.162 304 D HA 0.025 4.665 4.640 -0.000 0.000 0.203 304 D C 2.698 179.022 176.300 0.040 0.000 0.967 304 D CA 0.169 54.204 54.000 0.058 0.000 0.840 304 D CB 0.005 40.864 40.800 0.100 0.000 0.972 304 D HN 0.226 nan 8.370 nan 0.000 0.482 305 L N 0.851 122.084 121.223 0.015 0.000 2.042 305 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 305 L C 2.501 179.370 176.870 -0.001 0.000 1.076 305 L CA 1.451 56.286 54.840 -0.008 0.000 0.749 305 L CB -0.529 41.515 42.059 -0.025 0.000 0.893 305 L HN 0.087 nan 8.230 nan 0.000 0.432 306 G N -1.022 107.783 108.800 0.009 0.000 2.470 306 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.220 306 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.220 306 G C 1.524 176.435 174.900 0.018 0.000 1.121 306 G CA 0.406 45.514 45.100 0.014 0.000 0.766 306 G HN 0.168 nan 8.290 nan 0.000 0.553 307 M N 0.137 119.752 119.600 0.025 0.000 2.394 307 M HA 0.144 4.624 4.480 -0.000 0.000 0.266 307 M C 1.917 178.234 176.300 0.029 0.000 1.098 307 M CA 0.721 56.038 55.300 0.030 0.000 1.149 307 M CB -0.386 32.237 32.600 0.039 0.000 1.369 307 M HN 0.119 nan 8.290 nan 0.000 0.450 308 E N -0.106 120.110 120.200 0.026 0.000 2.474 308 E HA 0.279 4.629 4.350 -0.000 0.000 0.194 308 E C 0.408 177.009 176.600 0.001 0.000 1.041 308 E CA 0.222 56.634 56.400 0.020 0.000 0.874 308 E CB 1.229 30.939 29.700 0.017 0.000 0.914 308 E HN 0.387 nan 8.360 nan 0.000 0.498 309 I N 0.627 121.195 120.570 -0.003 0.000 2.913 309 I HA 0.228 4.398 4.170 -0.000 0.000 0.302 309 I C -2.650 173.463 176.117 -0.006 0.000 1.246 309 I CA -2.679 58.612 61.300 -0.015 0.000 1.010 309 I CB 2.737 40.716 38.000 -0.035 0.000 1.259 309 I HN -0.271 nan 8.210 nan 0.000 0.434 310 P HA 0.120 nan 4.420 nan 0.000 0.267 310 P C -2.180 175.127 177.300 0.012 0.000 1.200 310 P CA -0.927 62.176 63.100 0.005 0.000 0.772 310 P CB 0.019 31.721 31.700 0.004 0.000 0.855 311 P HA -0.152 nan 4.420 nan 0.000 0.222 311 P C 0.639 177.987 177.300 0.081 0.000 1.147 311 P CA 1.433 64.559 63.100 0.044 0.000 0.790 311 P CB 0.102 31.825 31.700 0.039 0.000 0.780 312 E N 0.087 120.335 120.200 0.081 0.000 2.274 312 E HA -0.099 4.251 4.350 -0.000 0.000 0.194 312 E C 1.756 178.421 176.600 0.109 0.000 0.996 312 E CA 0.857 57.346 56.400 0.147 0.000 0.840 312 E CB -0.356 29.409 29.700 0.108 0.000 0.772 312 E HN 0.220 nan 8.360 nan 0.000 0.491 313 K N -0.042 120.349 120.400 -0.014 0.000 2.379 313 K HA 0.105 4.425 4.320 -0.000 0.000 0.194 313 K C 1.646 178.128 176.600 -0.197 0.000 1.031 313 K CA 0.140 56.336 56.287 -0.153 0.000 1.037 313 K CB 0.193 32.627 32.500 -0.110 0.000 0.824 313 K HN 0.120 nan 8.250 nan 0.000 0.516 314 I N 1.562 122.093 120.570 -0.065 0.000 2.142 314 I HA -0.278 3.892 4.170 -0.000 0.000 0.240 314 I C 2.203 178.284 176.117 -0.060 0.000 1.078 314 I CA 1.303 62.578 61.300 -0.042 0.000 1.343 314 I CB -0.722 37.295 38.000 0.029 0.000 1.046 314 I HN 0.146 nan 8.210 nan 0.000 0.405 315 F N -0.085 119.842 119.950 -0.038 0.000 2.161 315 F HA -0.170 4.357 4.527 0.000 0.000 0.300 315 F C 2.179 177.948 175.800 -0.052 0.000 1.089 315 F CA 1.327 59.303 58.000 -0.041 0.000 1.282 315 F CB -1.584 37.396 39.000 -0.032 0.000 1.010 315 F HN -0.101 nan 8.300 nan 0.000 0.485 316 V N 1.415 120.621 119.914 -1.180 0.000 2.307 316 V HA -0.236 3.884 4.120 -0.000 0.000 0.245 316 V C 3.015 178.868 176.094 -0.402 0.000 1.045 316 V CA 1.867 63.663 62.300 -0.841 0.000 1.024 316 V CB -1.607 29.717 31.823 -0.832 0.000 0.651 316 V HN 0.573 nan 8.190 nan 0.000 0.449 317 A N -0.707 121.913 122.820 -0.333 0.000 1.933 317 A HA -0.306 4.014 4.320 -0.000 0.000 0.218 317 A C 2.267 179.717 177.584 -0.222 0.000 1.175 317 A CA 2.200 54.086 52.037 -0.252 0.000 0.628 317 A CB -0.521 18.362 19.000 -0.196 0.000 0.814 317 A HN 0.627 nan 8.150 nan 0.000 0.444 318 Q N -0.183 119.522 119.800 -0.158 0.000 1.993 318 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 318 Q C 2.006 177.942 176.000 -0.107 0.000 0.984 318 Q CA 1.923 57.664 55.803 -0.103 0.000 0.837 318 Q CB -0.177 28.541 28.738 -0.033 0.000 0.902 318 Q HN 0.649 nan 8.270 nan 0.000 0.423 319 K N -0.193 120.156 120.400 -0.084 0.000 2.103 319 K HA -0.174 4.146 4.320 -0.000 0.000 0.207 319 K C 2.350 178.886 176.600 -0.106 0.000 1.048 319 K CA 1.276 57.526 56.287 -0.061 0.000 0.930 319 K CB -0.364 32.132 32.500 -0.008 0.000 0.716 319 K HN 0.325 nan 8.250 nan 0.000 0.444 320 C N 0.904 120.103 119.300 -0.168 0.000 2.453 320 C HA -0.023 4.437 4.460 -0.000 0.000 0.277 320 C C 2.544 177.371 174.990 -0.272 0.000 1.262 320 C CA 0.650 59.548 59.018 -0.201 0.000 1.718 320 C CB -0.576 27.021 27.740 -0.238 0.000 2.031 320 C HN 0.441 nan 8.230 nan 0.000 0.480 321 M N 0.157 119.521 119.600 -0.394 0.000 2.175 321 M HA -0.074 4.406 4.480 -0.000 0.000 0.264 321 M C 1.969 178.158 176.300 -0.186 0.000 1.063 321 M CA 1.789 56.732 55.300 -0.596 0.000 1.119 321 M CB -0.403 31.781 32.600 -0.693 0.000 1.377 321 M HN 0.408 nan 8.290 nan 0.000 0.415 322 I N -0.574 119.930 120.570 -0.110 0.000 2.179 322 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 322 I C 2.440 178.543 176.117 -0.022 0.000 1.088 322 I CA 1.140 62.421 61.300 -0.032 0.000 1.357 322 I CB -0.361 37.620 38.000 -0.031 0.000 1.051 322 I HN 0.215 nan 8.210 nan 0.000 0.409 323 S N 0.652 116.324 115.700 -0.047 0.000 2.359 323 S HA -0.210 4.260 4.470 -0.000 0.000 0.224 323 S C 1.949 176.541 174.600 -0.014 0.000 1.035 323 S CA 1.394 59.573 58.200 -0.036 0.000 1.018 323 S CB -0.231 62.941 63.200 -0.048 0.000 0.876 323 S HN 0.374 nan 8.310 nan 0.000 0.448 324 K N 0.267 120.669 120.400 0.003 0.000 2.057 324 K HA -0.051 4.269 4.320 -0.000 0.000 0.207 324 K C 2.368 179.036 176.600 0.114 0.000 1.049 324 K CA 1.304 57.641 56.287 0.083 0.000 0.931 324 K CB -0.395 32.219 32.500 0.189 0.000 0.714 324 K HN 0.356 nan 8.250 nan 0.000 0.440 325 C N 1.130 120.514 119.300 0.140 0.000 2.429 325 C HA -0.084 4.376 4.460 -0.000 0.000 0.277 325 C C 2.239 177.239 174.990 0.017 0.000 1.262 325 C CA 0.790 59.865 59.018 0.095 0.000 1.733 325 C CB -1.268 26.539 27.740 0.112 0.000 2.010 325 C HN 0.541 nan 8.230 nan 0.000 0.483 326 N N 0.625 119.322 118.700 -0.004 0.000 2.069 326 N HA -0.141 4.599 4.740 -0.000 0.000 0.191 326 N C 1.543 177.001 175.510 -0.087 0.000 1.031 326 N CA 1.375 54.396 53.050 -0.048 0.000 0.852 326 N CB -0.159 38.300 38.487 -0.047 0.000 1.018 326 N HN 0.307 nan 8.380 nan 0.000 0.423 327 V N 1.128 121.005 119.914 -0.062 0.000 2.515 327 V HA -0.153 3.967 4.120 -0.000 0.000 0.250 327 V C 2.148 178.202 176.094 -0.067 0.000 1.058 327 V CA 1.744 63.999 62.300 -0.075 0.000 1.064 327 V CB -0.644 31.155 31.823 -0.040 0.000 0.675 327 V HN 0.365 nan 8.190 nan 0.000 0.461 328 A N -0.607 122.191 122.820 -0.036 0.000 2.123 328 A HA 0.362 4.682 4.320 -0.000 0.000 0.214 328 A C 1.998 179.557 177.584 -0.042 0.000 1.152 328 A CA 1.036 53.054 52.037 -0.031 0.000 0.728 328 A CB -0.423 18.567 19.000 -0.016 0.000 0.814 328 A HN 1.225 nan 8.150 nan 0.000 0.464 329 G N -0.661 108.102 108.800 -0.061 0.000 2.147 329 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.244 329 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.244 329 G C -0.085 174.800 174.900 -0.025 0.000 1.005 329 G CA 0.440 45.506 45.100 -0.057 0.000 0.713 329 G HN 0.402 nan 8.290 nan 0.000 0.515 330 K N 0.834 121.223 120.400 -0.019 0.000 2.244 330 K HA 0.453 4.773 4.320 -0.000 0.000 0.260 330 K C -2.455 174.145 176.600 0.001 0.000 0.951 330 K CA -2.020 54.262 56.287 -0.008 0.000 0.826 330 K CB 2.549 35.037 32.500 -0.020 0.000 1.108 330 K HN 0.108 nan 8.250 nan 0.000 0.433 331 P HA 0.060 nan 4.420 nan 0.000 0.271 331 P C -0.300 176.999 177.300 -0.001 0.000 1.216 331 P CA -0.301 62.799 63.100 -0.001 0.000 0.771 331 P CB 0.978 32.675 31.700 -0.004 0.000 0.864 332 V N 4.504 124.420 119.914 0.003 0.000 2.667 332 V HA 0.440 4.560 4.120 -0.000 0.000 0.308 332 V C -0.712 175.376 176.094 -0.010 0.000 1.048 332 V CA -0.844 61.464 62.300 0.013 0.000 0.928 332 V CB 2.289 34.135 31.823 0.037 0.000 1.004 332 V HN 0.240 nan 8.190 nan 0.000 0.444 333 V N 4.801 124.707 119.914 -0.012 0.000 2.487 333 V HA 0.483 4.603 4.120 -0.000 0.000 0.298 333 V C 0.026 176.114 176.094 -0.012 0.000 1.028 333 V CA -0.462 61.822 62.300 -0.026 0.000 0.860 333 V CB 1.961 33.754 31.823 -0.050 0.000 0.991 333 V HN 0.958 nan 8.190 nan 0.000 0.427 334 T N 4.410 118.957 114.554 -0.011 0.000 2.767 334 T HA 0.757 5.107 4.350 -0.000 0.000 0.288 334 T C 0.071 174.768 174.700 -0.005 0.000 0.963 334 T CA -0.177 61.919 62.100 -0.005 0.000 1.019 334 T CB 1.430 70.296 68.868 -0.003 0.000 0.923 334 T HN 0.989 nan 8.240 nan 0.000 0.468 335 A N 2.683 125.503 122.820 -0.001 0.000 2.469 335 A HA 0.915 5.235 4.320 -0.000 0.000 0.299 335 A C -0.179 177.410 177.584 0.008 0.000 1.098 335 A CA -0.889 51.150 52.037 0.002 0.000 0.737 335 A CB 0.975 19.976 19.000 0.002 0.000 1.312 335 A HN 0.878 nan 8.150 nan 0.000 0.414 336 T N 1.048 115.609 114.554 0.011 0.000 0.551 336 T HA -0.098 4.252 4.350 -0.000 0.000 0.773 336 T C -0.007 174.702 174.700 0.015 0.000 0.992 336 T CA 0.774 62.883 62.100 0.016 0.000 4.071 336 T CB -1.209 67.671 68.868 0.019 0.000 2.299 336 T HN 1.564 nan 8.240 nan 0.000 0.397 337 Q N -0.430 119.379 119.800 0.016 0.000 2.475 337 Q HA -0.285 4.055 4.340 -0.000 0.000 0.280 337 Q C 1.160 177.168 176.000 0.013 0.000 1.234 337 Q CA 1.281 57.094 55.803 0.015 0.000 0.873 337 Q CB -1.083 27.665 28.738 0.017 0.000 1.256 337 Q HN 0.784 nan 8.270 nan 0.000 0.475 338 M N -0.422 119.185 119.600 0.011 0.000 2.236 338 M HA 0.023 4.503 4.480 -0.000 0.000 0.266 338 M C 0.535 176.839 176.300 0.008 0.000 1.070 338 M CA 1.549 56.855 55.300 0.009 0.000 1.137 338 M CB 0.642 33.246 32.600 0.008 0.000 1.378 338 M HN 0.336 nan 8.290 nan 0.000 0.426 339 L N -0.657 120.572 121.223 0.010 0.000 3.025 339 L HA 0.220 4.560 4.340 -0.000 0.000 0.307 339 L C 0.720 177.598 176.870 0.013 0.000 1.303 339 L CA -0.403 54.443 54.840 0.009 0.000 0.817 339 L CB 0.361 42.426 42.059 0.010 0.000 1.227 339 L HN 0.046 nan 8.230 nan 0.000 0.571 340 E N 1.271 121.479 120.200 0.013 0.000 2.085 340 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 340 E C 2.173 178.786 176.600 0.021 0.000 0.994 340 E CA 2.099 58.510 56.400 0.017 0.000 0.801 340 E CB 0.202 29.911 29.700 0.016 0.000 0.743 340 E HN 0.536 nan 8.360 nan 0.000 0.453 341 S N -0.367 115.341 115.700 0.015 0.000 2.419 341 S HA -0.175 4.295 4.470 -0.000 0.000 0.233 341 S C 1.895 176.509 174.600 0.024 0.000 1.016 341 S CA 1.285 59.494 58.200 0.014 0.000 0.974 341 S CB -0.396 62.804 63.200 0.000 0.000 0.786 341 S HN 0.309 nan 8.310 nan 0.000 0.492 342 M N 0.644 120.259 119.600 0.025 0.000 2.686 342 M HA 0.160 4.640 4.480 -0.000 0.000 0.246 342 M C 1.588 177.968 176.300 0.133 0.000 1.096 342 M CA 0.595 55.923 55.300 0.047 0.000 1.076 342 M CB -0.655 31.964 32.600 0.032 0.000 1.504 342 M HN 0.360 nan 8.290 nan 0.000 0.524 343 I N 1.296 121.924 120.570 0.097 0.000 2.264 343 I HA -0.283 3.887 4.170 -0.000 0.000 0.248 343 I C 1.684 177.896 176.117 0.158 0.000 1.111 343 I CA 1.522 62.881 61.300 0.097 0.000 1.382 343 I CB -0.174 37.855 38.000 0.049 0.000 1.060 343 I HN 0.371 nan 8.210 nan 0.000 0.418 344 K N -0.459 120.047 120.400 0.176 0.000 2.826 344 K HA 0.369 4.689 4.320 -0.000 0.000 0.206 344 K C -0.166 176.589 176.600 0.258 0.000 1.116 344 K CA -0.255 56.169 56.287 0.229 0.000 1.045 344 K CB 0.896 33.465 32.500 0.116 0.000 0.758 344 K HN 0.005 nan 8.250 nan 0.000 0.465 345 S N 0.732 116.545 115.700 0.189 0.000 2.542 345 S HA 0.120 4.590 4.470 -0.000 0.000 0.276 345 S C -0.562 173.617 174.600 -0.701 0.000 1.148 345 S CA -0.741 57.325 58.200 -0.223 0.000 0.886 345 S CB 0.979 64.112 63.200 -0.112 0.000 1.109 345 S HN 0.587 nan 8.310 nan 0.000 0.458 346 N N 2.525 120.536 118.700 -1.149 0.000 2.461 346 N HA 0.143 4.883 4.740 -0.000 0.000 0.188 346 N C 0.271 175.564 175.510 -0.362 0.000 1.134 346 N CA -0.125 52.354 53.050 -0.952 0.000 0.878 346 N CB 0.173 38.124 38.487 -0.894 0.000 0.972 346 N HN 0.348 nan 8.380 nan 0.000 0.456 347 R N 0.602 120.945 120.500 -0.260 0.000 2.628 347 R HA 0.443 4.783 4.340 -0.000 0.000 0.288 347 R C -2.686 173.560 176.300 -0.092 0.000 0.980 347 R CA -2.001 54.018 56.100 -0.135 0.000 0.891 347 R CB 1.926 32.161 30.300 -0.109 0.000 1.188 347 R HN 0.129 nan 8.270 nan 0.000 0.450 348 P HA 0.143 nan 4.420 nan 0.000 0.278 348 P C -0.482 176.801 177.300 -0.029 0.000 1.258 348 P CA -0.392 62.688 63.100 -0.034 0.000 0.811 348 P CB 0.800 32.487 31.700 -0.021 0.000 1.063 349 T N 1.767 116.309 114.554 -0.021 0.000 2.860 349 T HA 0.100 4.450 4.350 -0.000 0.000 0.299 349 T C 1.748 176.439 174.700 -0.016 0.000 1.045 349 T CA -0.411 61.678 62.100 -0.018 0.000 1.071 349 T CB 0.304 69.164 68.868 -0.012 0.000 0.985 349 T HN 0.283 nan 8.240 nan 0.000 0.537 350 R N 1.417 121.907 120.500 -0.017 0.000 2.092 350 R HA -0.011 4.329 4.340 -0.000 0.000 0.231 350 R C 2.506 178.796 176.300 -0.016 0.000 1.119 350 R CA 1.325 57.415 56.100 -0.016 0.000 0.970 350 R CB -1.408 28.882 30.300 -0.017 0.000 0.864 350 R HN 0.708 nan 8.270 nan 0.000 0.440 351 A N 1.477 124.288 122.820 -0.016 0.000 1.933 351 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 351 A C 2.020 179.597 177.584 -0.011 0.000 1.175 351 A CA 1.483 53.511 52.037 -0.016 0.000 0.628 351 A CB -0.314 18.678 19.000 -0.014 0.000 0.814 351 A HN 0.389 nan 8.150 nan 0.000 0.444 352 E N -0.801 119.394 120.200 -0.009 0.000 2.107 352 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 352 E C 1.997 178.593 176.600 -0.006 0.000 0.982 352 E CA 1.220 57.617 56.400 -0.005 0.000 0.809 352 E CB -0.242 29.455 29.700 -0.004 0.000 0.756 352 E HN 0.657 nan 8.360 nan 0.000 0.459 353 M N 0.470 120.065 119.600 -0.009 0.000 2.213 353 M HA -0.134 4.346 4.480 -0.000 0.000 0.263 353 M C 2.479 178.774 176.300 -0.008 0.000 1.062 353 M CA 1.783 57.078 55.300 -0.008 0.000 1.105 353 M CB -0.212 32.382 32.600 -0.011 0.000 1.385 353 M HN 0.198 nan 8.290 nan 0.000 0.417 354 T N -3.378 111.169 114.554 -0.012 0.000 3.035 354 T HA -0.059 4.291 4.350 -0.000 0.000 0.259 354 T C 1.329 176.023 174.700 -0.011 0.000 1.078 354 T CA 1.201 63.293 62.100 -0.014 0.000 1.132 354 T CB -0.325 68.530 68.868 -0.021 0.000 0.900 354 T HN 0.274 nan 8.240 nan 0.000 0.480 355 D N 1.343 121.739 120.400 -0.007 0.000 2.097 355 D HA -0.097 4.543 4.640 -0.000 0.000 0.195 355 D C 2.070 178.370 176.300 0.001 0.000 0.989 355 D CA 1.104 55.103 54.000 -0.002 0.000 0.827 355 D CB -0.348 40.453 40.800 0.002 0.000 0.966 355 D HN 0.278 nan 8.370 nan 0.000 0.456 356 V N 0.732 120.647 119.914 0.001 0.000 2.270 356 V HA -0.200 3.920 4.120 -0.000 0.000 0.245 356 V C 2.587 178.682 176.094 0.002 0.000 1.043 356 V CA 1.801 64.103 62.300 0.003 0.000 1.014 356 V CB -1.048 30.777 31.823 0.004 0.000 0.645 356 V HN 0.336 nan 8.190 nan 0.000 0.447 357 A N 0.432 123.252 122.820 -0.001 0.000 1.883 357 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 357 A C 2.084 179.665 177.584 -0.005 0.000 1.186 357 A CA 2.246 54.281 52.037 -0.003 0.000 0.624 357 A CB -0.753 18.243 19.000 -0.006 0.000 0.822 357 A HN 0.591 nan 8.150 nan 0.000 0.444 358 N N 0.128 118.824 118.700 -0.006 0.000 2.244 358 N HA -0.077 4.663 4.740 -0.000 0.000 0.183 358 N C 1.874 177.385 175.510 0.000 0.000 1.016 358 N CA 1.354 54.401 53.050 -0.005 0.000 0.866 358 N CB -0.473 38.011 38.487 -0.005 0.000 0.980 358 N HN 0.489 nan 8.380 nan 0.000 0.430 359 A N 0.694 123.516 122.820 0.003 0.000 1.902 359 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 359 A C 2.515 180.099 177.584 0.001 0.000 1.181 359 A CA 1.172 53.211 52.037 0.004 0.000 0.623 359 A CB -0.689 18.314 19.000 0.004 0.000 0.818 359 A HN 0.094 nan 8.150 nan 0.000 0.443 360 V N 0.140 120.054 119.914 0.001 0.000 2.295 360 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 360 V C 2.526 178.616 176.094 -0.008 0.000 1.049 360 V CA 1.918 64.219 62.300 0.001 0.000 1.024 360 V CB -0.736 31.090 31.823 0.006 0.000 0.648 360 V HN 0.573 nan 8.190 nan 0.000 0.447 361 L N -0.171 121.043 121.223 -0.014 0.000 2.191 361 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 361 L C 2.165 179.023 176.870 -0.021 0.000 1.103 361 L CA 1.189 56.013 54.840 -0.026 0.000 0.769 361 L CB -0.673 41.370 42.059 -0.026 0.000 0.908 361 L HN 0.350 nan 8.230 nan 0.000 0.438 362 D N 0.158 120.552 120.400 -0.010 0.000 2.264 362 D HA -0.045 4.595 4.640 -0.000 0.000 0.208 362 D C 1.632 177.926 176.300 -0.011 0.000 0.966 362 D CA 1.315 55.311 54.000 -0.007 0.000 0.864 362 D CB 0.177 40.977 40.800 -0.000 0.000 0.933 362 D HN 0.412 nan 8.370 nan 0.000 0.499 363 G N 0.092 108.887 108.800 -0.009 0.000 2.148 363 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.157 363 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.157 363 G C 0.285 175.185 174.900 -0.000 0.000 1.012 363 G CA 0.207 45.304 45.100 -0.005 0.000 0.677 363 G HN 0.348 nan 8.290 nan 0.000 0.506 364 S N -0.234 115.465 115.700 -0.000 0.000 2.533 364 S HA 0.381 4.851 4.470 -0.000 0.000 0.282 364 S C 1.429 176.031 174.600 0.004 0.000 1.304 364 S CA 0.758 58.958 58.200 0.000 0.000 1.063 364 S CB 0.559 63.758 63.200 -0.002 0.000 0.881 364 S HN 0.290 nan 8.310 nan 0.000 0.493 365 D N 2.504 122.904 120.400 -0.000 0.000 2.137 365 D HA 0.099 4.739 4.640 -0.000 0.000 0.202 365 D C 0.159 176.453 176.300 -0.010 0.000 0.970 365 D CA 0.861 54.860 54.000 -0.001 0.000 0.837 365 D CB 0.147 40.944 40.800 -0.006 0.000 0.981 365 D HN 0.462 nan 8.370 nan 0.000 0.475 366 C N 0.237 119.524 119.300 -0.023 0.000 2.614 366 C HA 0.764 5.224 4.460 -0.000 0.000 0.320 366 C C -0.178 174.798 174.990 -0.023 0.000 1.200 366 C CA -1.146 57.852 59.018 -0.033 0.000 1.700 366 C CB 1.556 29.254 27.740 -0.070 0.000 2.275 366 C HN 0.152 nan 8.230 nan 0.000 0.492 367 V N 0.403 120.306 119.914 -0.019 0.000 2.914 367 V HA 0.794 4.914 4.120 -0.000 0.000 0.314 367 V C -0.732 175.353 176.094 -0.015 0.000 1.084 367 V CA -0.666 61.627 62.300 -0.012 0.000 0.963 367 V CB 1.786 33.608 31.823 -0.002 0.000 1.025 367 V HN 0.998 nan 8.190 nan 0.000 0.432 368 M N 3.124 122.718 119.600 -0.010 0.000 2.591 368 M HA 0.732 5.212 4.480 -0.000 0.000 0.306 368 M C -1.994 174.305 176.300 -0.001 0.000 1.190 368 M CA -0.741 54.553 55.300 -0.010 0.000 0.889 368 M CB 2.265 34.858 32.600 -0.012 0.000 1.728 368 M HN 0.761 nan 8.290 nan 0.000 0.458 369 L N 1.870 123.094 121.223 0.001 0.000 2.362 369 L HA 0.553 4.893 4.340 -0.000 0.000 0.271 369 L C -0.232 176.641 176.870 0.006 0.000 1.002 369 L CA -0.348 54.494 54.840 0.004 0.000 0.818 369 L CB 2.202 44.261 42.059 0.000 0.000 1.298 369 L HN 0.823 nan 8.230 nan 0.000 0.420 370 S N 0.836 116.542 115.700 0.010 0.000 3.128 370 S HA 0.161 4.631 4.470 -0.000 0.000 0.171 370 S C 1.528 176.134 174.600 0.011 0.000 0.707 370 S CA 0.443 58.653 58.200 0.017 0.000 0.851 370 S CB -0.114 63.101 63.200 0.025 0.000 0.872 370 S HN 0.873 nan 8.310 nan 0.000 0.724 371 G N 1.310 110.118 108.800 0.013 0.000 2.422 371 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.218 371 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.218 371 G C 1.049 175.946 174.900 -0.005 0.000 1.146 371 G CA 1.129 46.231 45.100 0.005 0.000 0.769 371 G HN 0.506 nan 8.290 nan 0.000 0.547 372 E N 0.162 120.363 120.200 0.002 0.000 2.114 372 E HA -0.173 4.177 4.350 -0.000 0.000 0.199 372 E C 2.809 179.390 176.600 -0.031 0.000 1.008 372 E CA 2.159 58.560 56.400 0.002 0.000 0.810 372 E CB -0.303 29.403 29.700 0.009 0.000 0.739 372 E HN 0.632 nan 8.360 nan 0.000 0.456 373 T N -2.661 111.866 114.554 -0.044 0.000 3.042 373 T HA 0.325 4.675 4.350 -0.000 0.000 0.245 373 T C 2.048 176.696 174.700 -0.087 0.000 1.029 373 T CA 0.355 62.403 62.100 -0.088 0.000 1.120 373 T CB -0.138 68.689 68.868 -0.068 0.000 0.917 373 T HN 0.154 nan 8.240 nan 0.000 0.467 374 A N 3.511 126.303 122.820 -0.047 0.000 1.873 374 A HA 0.023 4.343 4.320 -0.000 0.000 0.215 374 A C 1.711 179.263 177.584 -0.053 0.000 1.186 374 A CA 1.325 53.340 52.037 -0.037 0.000 0.616 374 A CB -0.531 18.466 19.000 -0.005 0.000 0.823 374 A HN 0.816 nan 8.150 nan 0.000 0.442 375 N N -1.556 117.113 118.700 -0.052 0.000 2.595 375 N HA 0.250 4.990 4.740 -0.000 0.000 0.291 375 N C 0.152 175.627 175.510 -0.057 0.000 1.706 375 N CA 0.213 53.228 53.050 -0.058 0.000 0.867 375 N CB 0.523 38.979 38.487 -0.051 0.000 1.414 375 N HN 0.310 nan 8.380 nan 0.000 0.492 376 G N -0.478 108.281 108.800 -0.068 0.000 2.552 376 G HA2 0.608 4.568 3.960 -0.000 0.000 0.324 376 G HA3 0.608 4.568 3.960 -0.000 0.000 0.324 376 G C 0.463 175.286 174.900 -0.127 0.000 1.217 376 G CA -0.341 44.725 45.100 -0.056 0.000 0.989 376 G HN 0.169 nan 8.290 nan 0.000 0.490 377 A N -0.944 121.776 122.820 -0.166 0.000 2.147 377 A HA 0.465 4.785 4.320 -0.000 0.000 0.211 377 A C 0.254 177.366 177.584 -0.787 0.000 1.160 377 A CA 0.388 52.129 52.037 -0.494 0.000 0.781 377 A CB -0.047 18.567 19.000 -0.644 0.000 0.842 377 A HN 0.442 nan 8.150 nan 0.000 0.475 378 F N -0.336 119.591 119.950 -0.037 0.000 2.564 378 F HA 0.297 4.824 4.527 -0.000 0.000 0.329 378 F C -1.815 173.936 175.800 -0.081 0.000 1.458 378 F CA -1.711 56.277 58.000 -0.020 0.000 1.117 378 F CB 1.361 40.368 39.000 0.012 0.000 1.383 378 F HN 0.038 nan 8.300 nan 0.000 0.571 379 P HA -0.125 nan 4.420 nan 0.000 0.217 379 P C 1.506 178.669 177.300 -0.228 0.000 1.151 379 P CA 1.469 64.405 63.100 -0.273 0.000 0.828 379 P CB 0.087 31.457 31.700 -0.550 0.000 0.788 380 F N 0.929 120.924 119.950 0.074 0.000 2.259 380 F HA -0.062 4.465 4.527 -0.000 0.000 0.298 380 F C 1.876 177.720 175.800 0.073 0.000 1.088 380 F CA 1.239 59.277 58.000 0.064 0.000 1.358 380 F CB -1.599 37.434 39.000 0.056 0.000 1.040 380 F HN -0.088 nan 8.300 nan 0.000 0.505 381 D N 0.351 120.907 120.400 0.260 0.000 2.117 381 D HA -0.111 4.529 4.640 -0.000 0.000 0.198 381 D C 2.344 178.704 176.300 0.101 0.000 0.982 381 D CA 1.337 55.436 54.000 0.165 0.000 0.828 381 D CB -0.391 40.500 40.800 0.151 0.000 0.967 381 D HN 0.191 nan 8.370 nan 0.000 0.464 382 A N 0.344 123.217 122.820 0.089 0.000 1.902 382 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 382 A C 2.337 179.947 177.584 0.044 0.000 1.181 382 A CA 1.195 53.263 52.037 0.050 0.000 0.623 382 A CB -0.804 18.217 19.000 0.034 0.000 0.818 382 A HN 0.153 nan 8.150 nan 0.000 0.443 383 V N 0.647 120.593 119.914 0.053 0.000 2.427 383 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 383 V C 2.385 178.518 176.094 0.065 0.000 1.051 383 V CA 2.194 64.528 62.300 0.057 0.000 1.048 383 V CB -1.124 30.743 31.823 0.073 0.000 0.666 383 V HN 0.746 nan 8.190 nan 0.000 0.456 384 N N 0.591 119.341 118.700 0.082 0.000 2.058 384 N HA -0.152 4.588 4.740 -0.000 0.000 0.191 384 N C 1.645 177.183 175.510 0.047 0.000 1.037 384 N CA 1.771 54.863 53.050 0.070 0.000 0.848 384 N CB -0.307 38.228 38.487 0.081 0.000 1.021 384 N HN 0.209 nan 8.380 nan 0.000 0.422 385 V N 0.958 120.897 119.914 0.041 0.000 2.332 385 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 385 V C 2.421 178.529 176.094 0.022 0.000 1.055 385 V CA 2.014 64.329 62.300 0.024 0.000 1.038 385 V CB -0.630 31.202 31.823 0.015 0.000 0.651 385 V HN 0.476 nan 8.190 nan 0.000 0.450 386 M N -0.281 119.334 119.600 0.025 0.000 2.117 386 M HA -0.188 4.292 4.480 -0.000 0.000 0.262 386 M C 2.374 178.688 176.300 0.023 0.000 1.065 386 M CA 2.322 57.634 55.300 0.021 0.000 1.114 386 M CB -0.222 32.390 32.600 0.020 0.000 1.361 386 M HN 0.369 nan 8.290 nan 0.000 0.408 387 S N 0.156 115.874 115.700 0.030 0.000 2.355 387 S HA -0.118 4.352 4.470 -0.000 0.000 0.222 387 S C 1.897 176.515 174.600 0.029 0.000 1.031 387 S CA 1.325 59.544 58.200 0.032 0.000 0.993 387 S CB -0.207 63.016 63.200 0.039 0.000 0.859 387 S HN 0.598 nan 8.310 nan 0.000 0.453 388 R N 0.130 120.647 120.500 0.027 0.000 2.115 388 R HA 0.039 4.379 4.340 -0.000 0.000 0.226 388 R C 2.239 178.551 176.300 0.020 0.000 1.100 388 R CA 1.303 57.417 56.100 0.024 0.000 0.980 388 R CB -0.503 29.810 30.300 0.022 0.000 0.875 388 R HN 0.338 nan 8.270 nan 0.000 0.445 389 V N 0.425 120.349 119.914 0.017 0.000 2.379 389 V HA -0.264 3.856 4.120 -0.000 0.000 0.245 389 V C 2.496 178.599 176.094 0.015 0.000 1.044 389 V CA 1.400 63.707 62.300 0.013 0.000 1.036 389 V CB -0.408 31.420 31.823 0.009 0.000 0.664 389 V HN 0.423 nan 8.190 nan 0.000 0.453 390 C N 0.389 119.700 119.300 0.018 0.000 2.413 390 C HA -0.149 4.311 4.460 -0.000 0.000 0.277 390 C C 3.144 178.151 174.990 0.029 0.000 1.228 390 C CA 1.070 60.101 59.018 0.021 0.000 1.731 390 C CB -1.290 26.464 27.740 0.023 0.000 2.042 390 C HN 0.631 nan 8.230 nan 0.000 0.468 391 A N -0.341 122.498 122.820 0.032 0.000 1.908 391 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 391 A C 2.036 179.643 177.584 0.038 0.000 1.181 391 A CA 2.279 54.340 52.037 0.039 0.000 0.627 391 A CB -0.735 18.287 19.000 0.036 0.000 0.818 391 A HN 0.629 nan 8.150 nan 0.000 0.445 392 Q N -0.212 119.604 119.800 0.027 0.000 2.124 392 Q HA -0.019 4.321 4.340 -0.000 0.000 0.202 392 Q C 2.027 178.038 176.000 0.017 0.000 0.977 392 Q CA 2.072 57.888 55.803 0.022 0.000 0.850 392 Q CB -0.607 28.140 28.738 0.015 0.000 0.901 392 Q HN 0.566 nan 8.270 nan 0.000 0.429 393 A N 0.208 123.036 122.820 0.013 0.000 1.933 393 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 393 A C 1.882 179.465 177.584 -0.002 0.000 1.175 393 A CA 1.656 53.694 52.037 0.002 0.000 0.628 393 A CB -0.535 18.466 19.000 0.001 0.000 0.814 393 A HN 0.549 nan 8.150 nan 0.000 0.444 394 E N -0.555 119.661 120.200 0.026 0.000 2.150 394 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 394 E C 2.067 178.707 176.600 0.067 0.000 0.985 394 E CA 1.484 57.917 56.400 0.056 0.000 0.814 394 E CB -0.281 29.489 29.700 0.118 0.000 0.752 394 E HN 0.839 nan 8.360 nan 0.000 0.466 395 T N -2.076 112.516 114.554 0.063 0.000 3.072 395 T HA -0.058 4.292 4.350 -0.000 0.000 0.266 395 T C 1.794 176.512 174.700 0.029 0.000 1.127 395 T CA 0.490 62.632 62.100 0.071 0.000 1.107 395 T CB -0.316 68.587 68.868 0.057 0.000 0.910 395 T HN 0.149 nan 8.240 nan 0.000 0.513 396 C N 0.828 120.121 119.300 -0.011 0.000 2.697 396 C HA 0.501 4.961 4.460 -0.000 0.000 0.267 396 C C 1.001 175.938 174.990 -0.089 0.000 1.278 396 C CA -1.112 57.886 59.018 -0.033 0.000 1.708 396 C CB -1.260 26.463 27.740 -0.027 0.000 1.860 396 C HN 0.578 nan 8.230 nan 0.000 0.589 397 I N 2.005 122.466 120.570 -0.182 0.000 2.496 397 I HA 0.075 4.245 4.170 -0.000 0.000 0.285 397 I C 0.015 175.919 176.117 -0.356 0.000 1.080 397 I CA 0.403 61.487 61.300 -0.359 0.000 1.404 397 I CB 0.373 37.948 38.000 -0.709 0.000 1.403 397 I HN 0.081 nan 8.210 nan 0.000 0.539 398 D N 6.026 126.295 120.400 -0.219 0.000 2.422 398 D HA 0.087 4.727 4.640 -0.000 0.000 0.227 398 D C 0.589 176.846 176.300 -0.071 0.000 1.190 398 D CA 0.085 54.034 54.000 -0.086 0.000 0.905 398 D CB 0.380 41.168 40.800 -0.021 0.000 1.034 398 D HN 0.324 nan 8.370 nan 0.000 0.507 399 Y N 2.907 123.245 120.300 0.063 0.000 2.200 399 Y HA -0.053 4.497 4.550 0.000 0.000 0.290 399 Y C -0.583 175.359 175.900 0.070 0.000 1.137 399 Y CA 0.829 58.970 58.100 0.069 0.000 1.163 399 Y CB -0.941 37.560 38.460 0.068 0.000 0.988 399 Y HN 0.430 nan 8.280 nan 0.000 0.518 400 P HA -0.192 nan 4.420 nan 0.000 0.216 400 P C 1.758 179.215 177.300 0.262 0.000 1.153 400 P CA 1.687 64.842 63.100 0.091 0.000 0.858 400 P CB -0.029 31.658 31.700 -0.022 0.000 0.789 401 V N -0.699 119.319 119.914 0.173 0.000 2.358 401 V HA -0.200 3.920 4.120 -0.000 0.000 0.246 401 V C 2.402 178.590 176.094 0.156 0.000 1.047 401 V CA 1.464 63.855 62.300 0.153 0.000 1.035 401 V CB -1.216 30.649 31.823 0.070 0.000 0.658 401 V HN 0.046 nan 8.190 nan 0.000 0.452 402 L N -0.649 120.647 121.223 0.123 0.000 2.083 402 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 402 L C 2.272 179.233 176.870 0.153 0.000 1.083 402 L CA 2.006 56.907 54.840 0.101 0.000 0.752 402 L CB -0.818 41.275 42.059 0.057 0.000 0.899 402 L HN 0.492 nan 8.230 nan 0.000 0.433 403 Y N -0.382 119.973 120.300 0.092 0.000 2.114 403 Y HA -0.302 4.248 4.550 -0.000 0.000 0.284 403 Y C 2.571 178.503 175.900 0.053 0.000 1.143 403 Y CA 2.279 60.413 58.100 0.056 0.000 1.135 403 Y CB -0.494 37.923 38.460 -0.072 0.000 0.980 403 Y HN 0.373 nan 8.280 nan 0.000 0.499 404 H N -0.461 118.691 119.070 0.136 0.000 2.423 404 H HA -0.030 4.526 4.556 -0.000 0.000 0.297 404 H C 2.274 177.612 175.328 0.018 0.000 1.075 404 H CA 1.208 57.296 56.048 0.066 0.000 1.342 404 H CB -0.276 29.576 29.762 0.152 0.000 1.395 404 H HN 0.495 nan 8.280 nan 0.000 0.530 405 A N 0.633 123.528 122.820 0.125 0.000 1.902 405 A HA -0.148 4.171 4.320 -0.000 0.000 0.217 405 A C 2.293 179.879 177.584 0.003 0.000 1.181 405 A CA 1.566 53.636 52.037 0.056 0.000 0.623 405 A CB -0.606 18.419 19.000 0.041 0.000 0.818 405 A HN 0.357 nan 8.150 nan 0.000 0.443 406 I N -1.759 118.790 120.570 -0.034 0.000 2.233 406 I HA -0.217 3.953 4.170 -0.000 0.000 0.243 406 I C 2.555 178.643 176.117 -0.048 0.000 1.093 406 I CA 1.458 62.704 61.300 -0.090 0.000 1.380 406 I CB -0.577 37.315 38.000 -0.179 0.000 1.067 406 I HN 0.526 nan 8.210 nan 0.000 0.413 407 H N 1.059 120.034 119.070 -0.158 0.000 2.387 407 H HA -0.176 4.380 4.556 -0.000 0.000 0.299 407 H C 2.378 177.688 175.328 -0.030 0.000 1.099 407 H CA 1.938 57.934 56.048 -0.086 0.000 1.315 407 H CB 0.307 29.804 29.762 -0.441 0.000 1.380 407 H HN 0.389 nan 8.280 nan 0.000 0.513 408 S N -0.552 115.109 115.700 -0.066 0.000 2.406 408 S HA -0.054 4.416 4.470 -0.000 0.000 0.228 408 S C 2.195 176.747 174.600 -0.080 0.000 1.020 408 S CA 0.925 59.075 58.200 -0.084 0.000 0.965 408 S CB -0.100 63.104 63.200 0.006 0.000 0.798 408 S HN 0.255 nan 8.310 nan 0.000 0.488 409 S N 0.970 116.635 115.700 -0.059 0.000 2.489 409 S HA 0.202 4.672 4.470 -0.000 0.000 0.228 409 S C 0.510 175.076 174.600 -0.056 0.000 0.995 409 S CA 0.075 58.245 58.200 -0.051 0.000 0.934 409 S CB -0.176 62.997 63.200 -0.045 0.000 0.771 409 S HN 0.391 nan 8.310 nan 0.000 0.522 410 V N 4.352 124.225 119.914 -0.068 0.000 2.432 410 V HA 0.230 4.350 4.120 -0.000 0.000 0.271 410 V C -2.294 173.765 176.094 -0.059 0.000 1.046 410 V CA -2.088 60.184 62.300 -0.046 0.000 0.945 410 V CB 0.467 32.296 31.823 0.010 0.000 0.992 410 V HN 0.114 nan 8.190 nan 0.000 0.471 411 P HA 0.156 nan 4.420 nan 0.000 0.265 411 P C -0.545 176.735 177.300 -0.033 0.000 1.193 411 P CA -0.003 63.076 63.100 -0.035 0.000 0.765 411 P CB 0.424 32.112 31.700 -0.021 0.000 0.823 412 K N 3.059 123.436 120.400 -0.039 0.000 2.203 412 K HA 0.514 4.833 4.320 -0.000 0.000 0.251 412 K C -1.944 174.647 176.600 -0.015 0.000 0.944 412 K CA -1.663 54.606 56.287 -0.029 0.000 0.829 412 K CB 0.412 32.887 32.500 -0.042 0.000 1.125 412 K HN 0.433 nan 8.250 nan 0.000 0.430 413 P HA 0.287 nan 4.420 nan 0.000 0.281 413 P C -0.265 177.039 177.300 0.006 0.000 1.249 413 P CA -0.617 62.483 63.100 -0.000 0.000 0.810 413 P CB 0.853 32.554 31.700 0.003 0.000 1.008 414 V N -1.484 118.439 119.914 0.015 0.000 3.211 414 V HA 0.854 4.974 4.120 -0.000 0.000 0.319 414 V C 0.241 176.349 176.094 0.023 0.000 1.096 414 V CA -1.030 61.286 62.300 0.026 0.000 1.029 414 V CB 0.666 32.518 31.823 0.048 0.000 1.137 414 V HN 0.837 nan 8.190 nan 0.000 0.453 415 A N 0.616 123.452 122.820 0.026 0.000 2.296 415 A HA 0.551 4.871 4.320 -0.000 0.000 0.264 415 A C 1.210 178.805 177.584 0.019 0.000 1.097 415 A CA 0.203 52.252 52.037 0.020 0.000 0.811 415 A CB 0.550 19.563 19.000 0.021 0.000 1.072 415 A HN 1.202 nan 8.150 nan 0.000 0.495 416 V N 1.093 121.014 119.914 0.012 0.000 2.295 416 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 416 V C -0.541 175.556 176.094 0.004 0.000 1.049 416 V CA 2.657 64.960 62.300 0.005 0.000 1.024 416 V CB -1.622 30.201 31.823 0.001 0.000 0.648 416 V HN 0.791 nan 8.190 nan 0.000 0.447 417 P HA -0.171 nan 4.420 nan 0.000 0.216 417 P C 1.629 178.944 177.300 0.025 0.000 1.150 417 P CA 1.477 64.586 63.100 0.015 0.000 0.837 417 P CB 0.081 31.795 31.700 0.024 0.000 0.786 418 E N -0.369 119.856 120.200 0.042 0.000 2.107 418 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 418 E C 1.935 178.535 176.600 0.001 0.000 0.982 418 E CA 0.941 57.384 56.400 0.071 0.000 0.809 418 E CB -0.486 29.284 29.700 0.117 0.000 0.756 418 E HN 0.051 nan 8.360 nan 0.000 0.459 419 A N 1.244 124.061 122.820 -0.006 0.000 1.898 419 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 419 A C 2.116 179.663 177.584 -0.062 0.000 1.181 419 A CA 1.042 53.060 52.037 -0.031 0.000 0.620 419 A CB -0.438 18.558 19.000 -0.007 0.000 0.819 419 A HN 0.310 nan 8.150 nan 0.000 0.442 420 I N -0.034 120.509 120.570 -0.045 0.000 2.226 420 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 420 I C 2.947 179.026 176.117 -0.063 0.000 1.100 420 I CA 1.421 62.689 61.300 -0.053 0.000 1.374 420 I CB -1.511 36.464 38.000 -0.042 0.000 1.057 420 I HN 0.378 nan 8.210 nan 0.000 0.413 421 A N 1.154 123.945 122.820 -0.048 0.000 1.865 421 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 421 A C 2.519 180.043 177.584 -0.101 0.000 1.191 421 A CA 2.130 54.150 52.037 -0.029 0.000 0.623 421 A CB -1.179 17.852 19.000 0.052 0.000 0.826 421 A HN 0.669 nan 8.150 nan 0.000 0.444 422 C N -1.936 117.194 119.300 -0.283 0.000 2.481 422 C HA 0.193 4.653 4.460 -0.000 0.000 0.275 422 C C 2.660 177.523 174.990 -0.211 0.000 1.419 422 C CA 0.588 59.365 59.018 -0.402 0.000 1.773 422 C CB -1.266 25.870 27.740 -1.007 0.000 1.862 422 C HN 0.410 nan 8.230 nan 0.000 0.530 423 S N 1.801 117.399 115.700 -0.171 0.000 2.383 423 S HA 0.048 4.518 4.470 -0.000 0.000 0.227 423 S C 2.350 176.872 174.600 -0.131 0.000 1.026 423 S CA 1.401 59.518 58.200 -0.139 0.000 0.981 423 S CB -0.466 62.674 63.200 -0.101 0.000 0.818 423 S HN 0.871 nan 8.310 nan 0.000 0.472 424 A N 1.079 123.837 122.820 -0.104 0.000 1.933 424 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 424 A C 2.277 179.804 177.584 -0.095 0.000 1.175 424 A CA 1.387 53.376 52.037 -0.080 0.000 0.628 424 A CB -0.730 18.243 19.000 -0.045 0.000 0.814 424 A HN 0.355 nan 8.150 nan 0.000 0.444 425 V N -0.161 119.683 119.914 -0.118 0.000 2.323 425 V HA -0.167 3.953 4.120 -0.000 0.000 0.244 425 V C 2.546 178.457 176.094 -0.306 0.000 1.041 425 V CA 1.915 64.119 62.300 -0.160 0.000 1.025 425 V CB -0.642 31.135 31.823 -0.077 0.000 0.656 425 V HN 0.507 nan 8.190 nan 0.000 0.451 426 E N 0.356 120.296 120.200 -0.433 0.000 2.072 426 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 426 E C 2.498 178.986 176.600 -0.187 0.000 0.985 426 E CA 1.534 57.678 56.400 -0.427 0.000 0.801 426 E CB -0.238 29.213 29.700 -0.416 0.000 0.750 426 E HN 0.546 nan 8.360 nan 0.000 0.452 427 S N 0.950 116.558 115.700 -0.154 0.000 2.370 427 S HA -0.172 4.298 4.470 -0.000 0.000 0.226 427 S C 2.111 176.652 174.600 -0.099 0.000 1.033 427 S CA 1.133 59.263 58.200 -0.117 0.000 1.011 427 S CB -0.216 62.916 63.200 -0.113 0.000 0.852 427 S HN 0.398 nan 8.310 nan 0.000 0.457 428 A N 1.108 123.877 122.820 -0.084 0.000 1.908 428 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 428 A C 1.895 179.459 177.584 -0.033 0.000 1.181 428 A CA 2.247 54.252 52.037 -0.053 0.000 0.627 428 A CB -1.021 17.949 19.000 -0.049 0.000 0.818 428 A HN 0.666 nan 8.150 nan 0.000 0.445 429 H N -0.196 118.796 119.070 -0.129 0.000 2.326 429 H HA -0.097 4.459 4.556 -0.000 0.000 0.301 429 H C 1.386 176.669 175.328 -0.075 0.000 1.081 429 H CA 1.927 57.914 56.048 -0.102 0.000 1.334 429 H CB -0.097 29.582 29.762 -0.137 0.000 1.385 429 H HN 0.378 nan 8.280 nan 0.000 0.504 430 D N -0.421 119.958 120.400 -0.035 0.000 2.264 430 D HA -0.108 4.532 4.640 -0.000 0.000 0.208 430 D C 1.905 178.135 176.300 -0.118 0.000 0.966 430 D CA 1.357 55.316 54.000 -0.069 0.000 0.864 430 D CB 0.031 40.809 40.800 -0.036 0.000 0.933 430 D HN 0.480 nan 8.370 nan 0.000 0.499 431 V N -2.577 117.259 119.914 -0.129 0.000 3.578 431 V HA 0.236 4.356 4.120 -0.000 0.000 0.290 431 V C 0.380 176.479 176.094 0.009 0.000 1.376 431 V CA -0.110 62.113 62.300 -0.128 0.000 1.083 431 V CB -0.567 31.049 31.823 -0.345 0.000 0.911 431 V HN 0.009 nan 8.190 nan 0.000 0.433 432 N N 0.930 119.600 118.700 -0.051 0.000 2.727 432 N HA -0.170 4.570 4.740 -0.000 0.000 0.251 432 N C -0.019 175.530 175.510 0.065 0.000 1.040 432 N CA 0.829 53.864 53.050 -0.025 0.000 0.712 432 N CB -1.267 37.208 38.487 -0.020 0.000 0.912 432 N HN 1.169 nan 8.380 nan 0.000 0.545 433 A N 0.627 123.484 122.820 0.062 0.000 2.332 433 A HA 0.442 4.762 4.320 -0.000 0.000 0.258 433 A C 1.255 178.864 177.584 0.042 0.000 1.087 433 A CA -0.053 52.046 52.037 0.103 0.000 0.802 433 A CB 0.512 19.560 19.000 0.081 0.000 1.042 433 A HN 0.323 nan 8.150 nan 0.000 0.489 434 K N 0.121 120.547 120.400 0.043 0.000 2.308 434 K HA 0.326 4.646 4.320 -0.000 0.000 0.197 434 K C -0.095 176.509 176.600 0.007 0.000 1.049 434 K CA 0.759 57.054 56.287 0.013 0.000 0.991 434 K CB -0.083 32.423 32.500 0.010 0.000 0.836 434 K HN 0.629 nan 8.250 nan 0.000 0.500 435 L N 0.959 122.195 121.223 0.021 0.000 2.409 435 L HA 0.510 4.850 4.340 -0.000 0.000 0.262 435 L C -0.738 176.142 176.870 0.018 0.000 0.992 435 L CA -0.799 54.050 54.840 0.016 0.000 0.817 435 L CB 2.473 44.551 42.059 0.031 0.000 1.350 435 L HN -0.175 nan 8.230 nan 0.000 0.411 436 I N 3.370 123.943 120.570 0.005 0.000 2.382 436 I HA 0.413 4.583 4.170 -0.000 0.000 0.286 436 I C -0.568 175.557 176.117 0.014 0.000 1.002 436 I CA -0.329 60.976 61.300 0.009 0.000 1.135 436 I CB 1.648 39.646 38.000 -0.002 0.000 1.288 436 I HN 0.353 nan 8.210 nan 0.000 0.448 437 I N 5.040 125.630 120.570 0.033 0.000 2.354 437 I HA 0.308 4.478 4.170 -0.000 0.000 0.292 437 I C 0.188 176.336 176.117 0.052 0.000 0.989 437 I CA -0.311 61.014 61.300 0.042 0.000 1.188 437 I CB 1.884 39.926 38.000 0.070 0.000 1.342 437 I HN 0.461 nan 8.210 nan 0.000 0.457 438 T N 7.334 121.913 114.554 0.041 0.000 2.809 438 T HA 0.558 4.908 4.350 -0.000 0.000 0.284 438 T C -0.479 174.253 174.700 0.053 0.000 0.992 438 T CA -0.479 61.653 62.100 0.052 0.000 0.957 438 T CB 0.538 69.428 68.868 0.036 0.000 0.942 438 T HN 0.333 nan 8.240 nan 0.000 0.439 439 I N 4.614 125.231 120.570 0.078 0.000 2.352 439 I HA 0.359 4.529 4.170 -0.000 0.000 0.290 439 I C 0.533 176.676 176.117 0.042 0.000 1.036 439 I CA -0.274 61.057 61.300 0.052 0.000 1.336 439 I CB 1.318 39.343 38.000 0.043 0.000 1.407 439 I HN 0.541 nan 8.210 nan 0.000 0.497 440 T N 4.737 119.301 114.554 0.017 0.000 3.071 440 T HA 0.144 4.494 4.350 -0.000 0.000 0.311 440 T C 0.436 175.131 174.700 -0.008 0.000 1.042 440 T CA -0.527 61.580 62.100 0.011 0.000 1.028 440 T CB 1.583 70.460 68.868 0.016 0.000 1.068 440 T HN 0.778 nan 8.240 nan 0.000 0.451 441 E N 1.902 122.093 120.200 -0.015 0.000 2.170 441 E HA -0.042 4.308 4.350 -0.000 0.000 0.191 441 E C 1.485 178.075 176.600 -0.017 0.000 0.981 441 E CA 1.478 57.861 56.400 -0.028 0.000 0.830 441 E CB 0.371 30.050 29.700 -0.035 0.000 0.775 441 E HN 0.820 nan 8.360 nan 0.000 0.470 442 T N -4.773 109.777 114.554 -0.007 0.000 2.978 442 T HA 0.308 4.658 4.350 -0.000 0.000 0.248 442 T C 1.437 176.138 174.700 0.002 0.000 1.018 442 T CA 0.575 62.672 62.100 -0.004 0.000 1.026 442 T CB 1.025 69.893 68.868 -0.001 0.000 1.032 442 T HN 0.213 nan 8.240 nan 0.000 0.485 443 G N 1.686 110.491 108.800 0.008 0.000 2.176 443 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.232 443 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.232 443 G C 0.887 175.801 174.900 0.023 0.000 0.986 443 G CA 0.262 45.371 45.100 0.016 0.000 0.643 443 G HN 0.434 nan 8.290 nan 0.000 0.522 444 N N 0.678 119.391 118.700 0.022 0.000 2.188 444 N HA -0.047 4.693 4.740 -0.000 0.000 0.184 444 N C 2.231 177.763 175.510 0.036 0.000 1.018 444 N CA 1.853 54.919 53.050 0.027 0.000 0.858 444 N CB -0.591 37.909 38.487 0.022 0.000 0.989 444 N HN 0.468 nan 8.380 nan 0.000 0.426 445 T N 1.033 115.607 114.554 0.034 0.000 2.746 445 T HA -0.058 4.292 4.350 -0.000 0.000 0.267 445 T C 1.979 176.707 174.700 0.046 0.000 1.039 445 T CA 1.343 63.468 62.100 0.041 0.000 1.142 445 T CB -0.343 68.546 68.868 0.035 0.000 0.866 445 T HN 0.332 nan 8.240 nan 0.000 0.444 446 A N 1.772 124.614 122.820 0.037 0.000 1.908 446 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 446 A C 2.383 179.993 177.584 0.044 0.000 1.181 446 A CA 1.483 53.540 52.037 0.034 0.000 0.627 446 A CB -0.485 18.527 19.000 0.021 0.000 0.818 446 A HN 0.414 nan 8.150 nan 0.000 0.445 447 R N -0.784 119.743 120.500 0.045 0.000 2.092 447 R HA 0.047 4.387 4.340 -0.000 0.000 0.231 447 R C 2.051 178.386 176.300 0.058 0.000 1.119 447 R CA 1.157 57.285 56.100 0.046 0.000 0.970 447 R CB -0.422 29.902 30.300 0.040 0.000 0.864 447 R HN 0.498 nan 8.270 nan 0.000 0.440 448 L N 0.417 121.687 121.223 0.077 0.000 2.046 448 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 448 L C 2.302 179.295 176.870 0.205 0.000 1.077 448 L CA 1.304 56.222 54.840 0.130 0.000 0.747 448 L CB -0.294 41.842 42.059 0.128 0.000 0.896 448 L HN 0.197 nan 8.230 nan 0.000 0.432 449 I N -1.201 119.459 120.570 0.149 0.000 2.252 449 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 449 I C 2.809 179.024 176.117 0.162 0.000 1.102 449 I CA 1.262 62.658 61.300 0.160 0.000 1.385 449 I CB -0.316 37.735 38.000 0.085 0.000 1.064 449 I HN 0.193 nan 8.210 nan 0.000 0.414 450 S N 0.822 116.582 115.700 0.100 0.000 2.383 450 S HA -0.283 4.187 4.470 -0.000 0.000 0.229 450 S C 2.151 176.786 174.600 0.059 0.000 1.030 450 S CA 1.777 60.020 58.200 0.073 0.000 1.002 450 S CB -0.269 62.958 63.200 0.046 0.000 0.829 450 S HN 0.335 nan 8.310 nan 0.000 0.467 451 K N -0.694 119.721 120.400 0.024 0.000 2.074 451 K HA -0.159 4.161 4.320 -0.000 0.000 0.209 451 K C 1.052 177.510 176.600 -0.237 0.000 1.048 451 K CA 1.808 58.013 56.287 -0.136 0.000 0.926 451 K CB -0.280 32.077 32.500 -0.238 0.000 0.713 451 K HN 0.565 nan 8.250 nan 0.000 0.444 452 Y N 0.785 121.126 120.300 0.070 0.000 2.461 452 Y HA 0.199 4.749 4.550 0.000 0.000 0.277 452 Y C -0.185 175.823 175.900 0.181 0.000 1.182 452 Y CA -0.278 57.887 58.100 0.109 0.000 1.276 452 Y CB 0.450 39.008 38.460 0.164 0.000 1.087 452 Y HN -0.038 nan 8.280 nan 0.000 0.519 453 R N -0.132 120.497 120.500 0.215 0.000 3.146 453 R HA -0.150 4.190 4.340 -0.000 0.000 0.250 453 R C -3.016 173.416 176.300 0.219 0.000 0.912 453 R CA 0.162 56.395 56.100 0.221 0.000 0.633 453 R CB -2.018 28.429 30.300 0.244 0.000 1.180 453 R HN 0.282 nan 8.270 nan 0.000 0.464 454 P HA 0.060 nan 4.420 nan 0.000 0.275 454 P C 0.876 177.945 177.300 -0.386 0.000 1.228 454 P CA -0.153 62.899 63.100 -0.079 0.000 0.786 454 P CB 0.860 32.533 31.700 -0.044 0.000 0.927 455 S N 1.034 116.337 115.700 -0.662 0.000 2.402 455 S HA -0.124 4.346 4.470 -0.000 0.000 0.229 455 S C 0.999 175.362 174.600 -0.394 0.000 1.021 455 S CA 0.334 57.950 58.200 -0.973 0.000 0.974 455 S CB -0.650 62.136 63.200 -0.690 0.000 0.800 455 S HN 0.587 nan 8.310 nan 0.000 0.484 456 Q N 1.533 121.199 119.800 -0.223 0.000 2.306 456 Q HA 0.339 4.679 4.340 -0.000 0.000 0.241 456 Q C -0.604 175.344 176.000 -0.086 0.000 0.948 456 Q CA -0.190 55.545 55.803 -0.113 0.000 0.886 456 Q CB -0.292 28.407 28.738 -0.065 0.000 1.227 456 Q HN 0.091 nan 8.270 nan 0.000 0.457 457 T N 2.086 116.609 114.554 -0.053 0.000 2.901 457 T HA 0.324 4.674 4.350 -0.000 0.000 0.301 457 T C 0.463 175.141 174.700 -0.037 0.000 1.012 457 T CA -0.248 61.828 62.100 -0.040 0.000 1.135 457 T CB 0.106 68.956 68.868 -0.030 0.000 0.936 457 T HN 0.377 nan 8.240 nan 0.000 0.539 458 I N 4.085 124.633 120.570 -0.036 0.000 2.325 458 I HA 0.250 4.420 4.170 -0.000 0.000 0.291 458 I C -0.004 176.070 176.117 -0.070 0.000 1.019 458 I CA -0.586 60.694 61.300 -0.033 0.000 1.302 458 I CB 0.706 38.699 38.000 -0.012 0.000 1.401 458 I HN 0.346 nan 8.210 nan 0.000 0.485 459 I N 6.282 126.805 120.570 -0.078 0.000 2.306 459 I HA 0.334 4.504 4.170 -0.000 0.000 0.288 459 I C 0.602 176.657 176.117 -0.103 0.000 1.036 459 I CA -0.278 60.927 61.300 -0.159 0.000 1.221 459 I CB 0.961 38.880 38.000 -0.136 0.000 1.385 459 I HN 0.542 nan 8.210 nan 0.000 0.472 460 A N 6.566 129.314 122.820 -0.120 0.000 2.289 460 A HA 0.475 4.795 4.320 -0.000 0.000 0.298 460 A C -0.275 177.286 177.584 -0.038 0.000 1.208 460 A CA -0.265 51.741 52.037 -0.052 0.000 0.845 460 A CB 0.301 19.280 19.000 -0.034 0.000 1.125 460 A HN 0.773 nan 8.150 nan 0.000 0.517 461 C N 2.001 121.309 119.300 0.015 0.000 2.298 461 C HA 0.853 5.313 4.460 -0.000 0.000 0.323 461 C C 0.713 175.721 174.990 0.030 0.000 1.284 461 C CA -0.236 58.815 59.018 0.055 0.000 1.577 461 C CB 0.387 28.175 27.740 0.080 0.000 2.249 461 C HN 0.968 nan 8.230 nan 0.000 0.497 462 T N 0.553 115.127 114.554 0.033 0.000 2.843 462 T HA 0.618 4.968 4.350 -0.000 0.000 0.302 462 T C 0.439 175.141 174.700 0.004 0.000 1.232 462 T CA 0.363 62.467 62.100 0.006 0.000 1.009 462 T CB 1.499 70.370 68.868 0.005 0.000 1.254 462 T HN 0.675 nan 8.240 nan 0.000 0.504 463 A N 1.569 124.377 122.820 -0.020 0.000 2.115 463 A HA 0.408 4.728 4.320 -0.000 0.000 0.211 463 A C 0.588 178.168 177.584 -0.007 0.000 1.169 463 A CA 0.402 52.426 52.037 -0.020 0.000 0.787 463 A CB 0.033 19.001 19.000 -0.053 0.000 0.858 463 A HN 0.621 nan 8.150 nan 0.000 0.474 464 K N 0.327 120.722 120.400 -0.008 0.000 2.265 464 K HA 0.362 4.682 4.320 -0.000 0.000 0.267 464 K C -2.311 174.289 176.600 -0.001 0.000 0.994 464 K CA -2.060 54.223 56.287 -0.006 0.000 0.860 464 K CB 1.804 34.295 32.500 -0.014 0.000 1.099 464 K HN -0.105 nan 8.250 nan 0.000 0.448 465 P HA -0.240 nan 4.420 nan 0.000 0.218 465 P C 0.752 178.049 177.300 -0.006 0.000 1.148 465 P CA 1.171 64.275 63.100 0.006 0.000 0.822 465 P CB 0.273 31.977 31.700 0.006 0.000 0.784 466 E N -0.405 119.783 120.200 -0.020 0.000 2.204 466 E HA -0.079 4.271 4.350 -0.000 0.000 0.194 466 E C 1.869 178.437 176.600 -0.053 0.000 0.989 466 E CA 0.998 57.370 56.400 -0.046 0.000 0.824 466 E CB -1.353 28.315 29.700 -0.054 0.000 0.756 466 E HN 0.135 nan 8.360 nan 0.000 0.477 467 V N 2.006 121.903 119.914 -0.029 0.000 2.379 467 V HA -0.167 3.953 4.120 -0.000 0.000 0.245 467 V C 2.646 178.739 176.094 -0.002 0.000 1.044 467 V CA 1.685 63.973 62.300 -0.020 0.000 1.036 467 V CB -0.780 31.037 31.823 -0.011 0.000 0.664 467 V HN 0.378 nan 8.190 nan 0.000 0.453 468 A N 0.030 122.855 122.820 0.007 0.000 1.902 468 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 468 A C 2.379 179.986 177.584 0.039 0.000 1.181 468 A CA 1.810 53.861 52.037 0.023 0.000 0.623 468 A CB -0.499 18.519 19.000 0.031 0.000 0.818 468 A HN 0.486 nan 8.150 nan 0.000 0.443 469 R N -0.992 119.521 120.500 0.022 0.000 2.096 469 R HA -0.102 4.237 4.340 -0.000 0.000 0.235 469 R C 2.340 178.674 176.300 0.058 0.000 1.127 469 R CA 1.064 57.185 56.100 0.036 0.000 0.968 469 R CB -0.559 29.728 30.300 -0.022 0.000 0.861 469 R HN 0.546 nan 8.270 nan 0.000 0.440 470 G N 0.738 109.520 108.800 -0.030 0.000 2.422 470 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.218 470 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.218 470 G C 1.271 176.303 174.900 0.221 0.000 1.140 470 G CA 0.295 45.383 45.100 -0.019 0.000 0.775 470 G HN 0.171 nan 8.290 nan 0.000 0.545 471 L N 0.177 121.483 121.223 0.139 0.000 2.599 471 L HA 0.138 4.478 4.340 -0.000 0.000 0.230 471 L C 1.918 178.864 176.870 0.127 0.000 1.141 471 L CA 0.089 55.000 54.840 0.119 0.000 0.877 471 L CB 0.104 42.198 42.059 0.058 0.000 1.009 471 L HN -0.017 nan 8.230 nan 0.000 0.447 472 K N 0.933 121.450 120.400 0.194 0.000 2.555 472 K HA 0.043 4.363 4.320 -0.000 0.000 0.193 472 K C 1.437 178.064 176.600 0.046 0.000 1.032 472 K CA 0.768 57.136 56.287 0.135 0.000 1.004 472 K CB 0.028 32.634 32.500 0.177 0.000 0.804 472 K HN 0.527 nan 8.250 nan 0.000 0.496 473 I N -3.285 117.301 120.570 0.026 0.000 3.976 473 I HA 0.311 4.481 4.170 -0.000 0.000 0.337 473 I C 0.295 176.402 176.117 -0.017 0.000 1.359 473 I CA -0.520 60.726 61.300 -0.091 0.000 1.098 473 I CB 0.455 38.289 38.000 -0.276 0.000 1.027 473 I HN -0.257 nan 8.210 nan 0.000 0.394 474 A N 2.097 124.932 122.820 0.026 0.000 2.260 474 A HA 0.515 4.835 4.320 -0.000 0.000 0.308 474 A C 0.210 177.807 177.584 0.022 0.000 1.254 474 A CA -0.573 51.480 52.037 0.028 0.000 0.874 474 A CB 0.412 19.437 19.000 0.041 0.000 1.153 474 A HN 0.504 nan 8.150 nan 0.000 0.527 475 R N 2.372 122.885 120.500 0.022 0.000 2.449 475 R HA 0.366 4.706 4.340 -0.000 0.000 0.296 475 R C 1.167 177.487 176.300 0.033 0.000 1.047 475 R CA 1.515 57.633 56.100 0.029 0.000 1.018 475 R CB -0.028 30.294 30.300 0.038 0.000 0.962 475 R HN 1.759 nan 8.270 nan 0.000 0.428 476 G N 2.521 111.339 108.800 0.029 0.000 2.160 476 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.251 476 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.251 476 G C -0.336 174.564 174.900 0.001 0.000 1.008 476 G CA 0.184 45.295 45.100 0.019 0.000 0.724 476 G HN 0.502 nan 8.290 nan 0.000 0.514 477 V N 0.499 120.413 119.914 -0.000 0.000 2.435 477 V HA 0.632 4.752 4.120 -0.000 0.000 0.290 477 V C 0.444 176.515 176.094 -0.038 0.000 1.030 477 V CA -0.660 61.629 62.300 -0.018 0.000 0.881 477 V CB 1.858 33.679 31.823 -0.002 0.000 0.983 477 V HN 0.308 nan 8.190 nan 0.000 0.445 478 K N 2.009 122.355 120.400 -0.089 0.000 2.316 478 K HA 0.676 4.996 4.320 -0.000 0.000 0.251 478 K C -0.884 175.574 176.600 -0.238 0.000 0.934 478 K CA -0.404 55.800 56.287 -0.139 0.000 0.802 478 K CB 2.095 34.496 32.500 -0.166 0.000 1.171 478 K HN 0.750 nan 8.250 nan 0.000 0.426 479 T N 2.426 116.854 114.554 -0.210 0.000 2.881 479 T HA 0.445 4.795 4.350 -0.000 0.000 0.290 479 T C -1.458 173.168 174.700 -0.123 0.000 1.000 479 T CA -0.472 61.515 62.100 -0.188 0.000 0.978 479 T CB 0.353 69.190 68.868 -0.052 0.000 0.997 479 T HN 0.417 nan 8.240 nan 0.000 0.443 480 Y N 3.041 123.359 120.300 0.030 0.000 2.328 480 Y HA 0.560 5.110 4.550 -0.000 0.000 0.337 480 Y C 0.248 176.161 175.900 0.022 0.000 1.008 480 Y CA -1.280 56.838 58.100 0.031 0.000 1.129 480 Y CB 1.658 40.135 38.460 0.029 0.000 1.185 480 Y HN 0.294 nan 8.280 nan 0.000 0.476 481 V N 6.166 126.191 119.914 0.186 0.000 2.364 481 V HA 0.265 4.385 4.120 -0.000 0.000 0.272 481 V C 0.001 176.143 176.094 0.079 0.000 1.036 481 V CA -0.520 61.839 62.300 0.099 0.000 0.880 481 V CB 0.435 32.299 31.823 0.068 0.000 0.991 481 V HN 0.615 nan 8.190 nan 0.000 0.460 482 L N 3.790 125.049 121.223 0.060 0.000 2.332 482 L HA 0.572 4.912 4.340 -0.000 0.000 0.269 482 L C 1.179 178.065 176.870 0.026 0.000 1.016 482 L CA -0.820 54.045 54.840 0.041 0.000 0.809 482 L CB 1.083 43.166 42.059 0.041 0.000 1.280 482 L HN 0.417 nan 8.230 nan 0.000 0.447 483 N N -0.303 118.414 118.700 0.028 0.000 2.396 483 N HA -0.050 4.690 4.740 -0.000 0.000 0.180 483 N C 0.205 175.734 175.510 0.031 0.000 1.028 483 N CA 0.549 53.616 53.050 0.029 0.000 0.893 483 N CB 0.366 38.873 38.487 0.035 0.000 0.967 483 N HN 0.542 nan 8.380 nan 0.000 0.440 484 S N -0.543 115.173 115.700 0.028 0.000 2.537 484 S HA 0.490 4.960 4.470 -0.000 0.000 0.271 484 S C -0.541 174.033 174.600 -0.042 0.000 1.148 484 S CA -0.803 57.401 58.200 0.007 0.000 0.868 484 S CB 0.801 64.071 63.200 0.116 0.000 1.115 484 S HN 0.153 nan 8.310 nan 0.000 0.461 485 I N 0.965 121.430 120.570 -0.175 0.000 3.833 485 I HA 0.485 4.655 4.170 -0.000 0.000 0.328 485 I C 0.621 176.606 176.117 -0.220 0.000 1.554 485 I CA -0.268 60.939 61.300 -0.155 0.000 1.116 485 I CB -0.247 37.674 38.000 -0.132 0.000 1.182 485 I HN 0.630 nan 8.210 nan 0.000 0.459 486 H N 0.675 119.638 119.070 -0.178 0.000 2.363 486 H HA 0.092 4.648 4.556 0.000 0.000 0.301 486 H C 0.055 175.182 175.328 -0.335 0.000 1.074 486 H CA 1.472 57.337 56.048 -0.305 0.000 1.354 486 H CB -0.052 29.422 29.762 -0.480 0.000 1.397 486 H HN 0.517 nan 8.280 nan 0.000 0.516 487 H N -0.332 118.787 119.070 0.082 0.000 2.690 487 H HA 0.185 4.741 4.556 -0.000 0.000 0.289 487 H C 0.811 176.107 175.328 -0.052 0.000 1.089 487 H CA -0.369 55.688 56.048 0.015 0.000 1.299 487 H CB 1.480 31.255 29.762 0.021 0.000 1.405 487 H HN 0.121 nan 8.280 nan 0.000 0.463 488 S N 2.651 118.332 115.700 -0.033 0.000 2.359 488 S HA -0.225 4.245 4.470 -0.000 0.000 0.224 488 S C 2.212 176.740 174.600 -0.119 0.000 1.035 488 S CA 1.472 59.537 58.200 -0.225 0.000 1.018 488 S CB 0.046 62.908 63.200 -0.563 0.000 0.876 488 S HN 0.835 nan 8.310 nan 0.000 0.448 489 E N 1.628 121.806 120.200 -0.037 0.000 2.110 489 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 489 E C 2.046 178.651 176.600 0.009 0.000 0.988 489 E CA 1.203 57.601 56.400 -0.004 0.000 0.804 489 E CB -0.853 28.854 29.700 0.011 0.000 0.745 489 E HN 0.408 nan 8.360 nan 0.000 0.458 490 V N 1.536 121.466 119.914 0.028 0.000 2.358 490 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 490 V C 2.772 178.884 176.094 0.029 0.000 1.047 490 V CA 1.428 63.747 62.300 0.031 0.000 1.035 490 V CB -0.305 31.553 31.823 0.057 0.000 0.658 490 V HN 0.106 nan 8.190 nan 0.000 0.452 491 V N -0.070 119.860 119.914 0.027 0.000 2.343 491 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 491 V C 2.164 178.278 176.094 0.034 0.000 1.051 491 V CA 2.157 64.472 62.300 0.024 0.000 1.036 491 V CB -0.448 31.375 31.823 0.001 0.000 0.654 491 V HN 0.440 nan 8.190 nan 0.000 0.451 492 I N -0.297 120.286 120.570 0.022 0.000 2.252 492 I HA -0.181 3.989 4.170 -0.000 0.000 0.245 492 I C 2.569 178.712 176.117 0.043 0.000 1.102 492 I CA 1.415 62.742 61.300 0.044 0.000 1.385 492 I CB -0.376 37.650 38.000 0.044 0.000 1.064 492 I HN 0.239 nan 8.210 nan 0.000 0.414 493 S N 0.974 116.691 115.700 0.027 0.000 2.368 493 S HA -0.156 4.314 4.470 -0.000 0.000 0.225 493 S C 1.733 176.338 174.600 0.007 0.000 1.030 493 S CA 1.444 59.654 58.200 0.017 0.000 0.999 493 S CB -0.380 62.825 63.200 0.009 0.000 0.844 493 S HN 0.427 nan 8.310 nan 0.000 0.459 494 N N 1.960 120.663 118.700 0.004 0.000 2.166 494 N HA 0.019 4.759 4.740 -0.000 0.000 0.186 494 N C 1.732 177.219 175.510 -0.038 0.000 1.019 494 N CA 1.245 54.282 53.050 -0.021 0.000 0.856 494 N CB -0.639 37.839 38.487 -0.014 0.000 0.993 494 N HN 0.416 nan 8.380 nan 0.000 0.426 495 A N 0.879 123.720 122.820 0.034 0.000 1.873 495 A HA -0.032 4.288 4.320 -0.000 0.000 0.215 495 A C 2.298 179.944 177.584 0.104 0.000 1.186 495 A CA 0.915 53.027 52.037 0.126 0.000 0.616 495 A CB -0.790 18.333 19.000 0.205 0.000 0.823 495 A HN 0.216 nan 8.150 nan 0.000 0.442 496 L N -0.751 120.513 121.223 0.068 0.000 2.083 496 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 496 L C 3.096 179.975 176.870 0.014 0.000 1.083 496 L CA 1.032 55.902 54.840 0.051 0.000 0.752 496 L CB -0.519 41.563 42.059 0.038 0.000 0.899 496 L HN 0.460 nan 8.230 nan 0.000 0.433 497 A N 0.073 122.883 122.820 -0.017 0.000 1.877 497 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 497 A C 2.247 179.787 177.584 -0.072 0.000 1.186 497 A CA 1.371 53.384 52.037 -0.041 0.000 0.620 497 A CB -0.678 18.294 19.000 -0.047 0.000 0.822 497 A HN 0.325 nan 8.150 nan 0.000 0.443 498 L N -0.739 120.399 121.223 -0.142 0.000 2.017 498 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 498 L C 3.137 179.951 176.870 -0.094 0.000 1.073 498 L CA 1.216 55.911 54.840 -0.242 0.000 0.745 498 L CB -0.540 41.109 42.059 -0.683 0.000 0.894 498 L HN 0.443 nan 8.230 nan 0.000 0.432 499 A N -0.055 122.785 122.820 0.034 0.000 1.908 499 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 499 A C 2.349 179.964 177.584 0.052 0.000 1.181 499 A CA 2.130 54.249 52.037 0.135 0.000 0.627 499 A CB -0.470 18.634 19.000 0.174 0.000 0.818 499 A HN 0.354 nan 8.150 nan 0.000 0.445 500 K N -0.406 120.004 120.400 0.018 0.000 2.057 500 K HA -0.211 4.109 4.320 -0.000 0.000 0.207 500 K C 1.999 178.591 176.600 -0.014 0.000 1.049 500 K CA 1.753 58.039 56.287 -0.001 0.000 0.931 500 K CB -0.130 32.363 32.500 -0.011 0.000 0.714 500 K HN 0.359 nan 8.250 nan 0.000 0.440 501 E N 1.152 121.334 120.200 -0.029 0.000 2.204 501 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 501 E C 0.790 177.366 176.600 -0.041 0.000 0.989 501 E CA 1.441 57.815 56.400 -0.043 0.000 0.824 501 E CB 0.116 29.777 29.700 -0.065 0.000 0.756 501 E HN 0.400 nan 8.360 nan 0.000 0.477 502 E N -0.548 119.639 120.200 -0.022 0.000 2.476 502 E HA 0.087 4.437 4.350 -0.000 0.000 0.191 502 E C -0.003 176.601 176.600 0.007 0.000 1.064 502 E CA 0.406 56.801 56.400 -0.007 0.000 0.866 502 E CB 0.193 29.917 29.700 0.040 0.000 0.952 502 E HN 0.098 nan 8.360 nan 0.000 0.492 503 S N -0.187 115.514 115.700 0.003 0.000 3.586 503 S HA -0.172 4.298 4.470 -0.000 0.000 0.309 503 S C 0.688 175.295 174.600 0.012 0.000 1.195 503 S CA 0.277 58.479 58.200 0.003 0.000 0.895 503 S CB -1.409 61.790 63.200 -0.002 0.000 0.983 503 S HN 0.390 nan 8.310 nan 0.000 0.563 504 L N 0.012 121.250 121.223 0.026 0.000 2.567 504 L HA 0.531 4.871 4.340 -0.000 0.000 0.225 504 L C 0.840 177.722 176.870 0.022 0.000 1.119 504 L CA 0.601 55.459 54.840 0.029 0.000 0.871 504 L CB 0.259 42.350 42.059 0.053 0.000 1.036 504 L HN 0.575 nan 8.230 nan 0.000 0.459 505 I N -1.158 119.421 120.570 0.015 0.000 2.882 505 I HA 0.223 4.393 4.170 -0.000 0.000 0.298 505 I C -1.396 174.715 176.117 -0.009 0.000 1.462 505 I CA -0.493 60.810 61.300 0.005 0.000 1.000 505 I CB 2.556 40.565 38.000 0.015 0.000 1.340 505 I HN -0.081 nan 8.210 nan 0.000 0.462 506 E N 2.416 122.602 120.200 -0.024 0.000 2.299 506 E HA 0.346 4.696 4.350 -0.000 0.000 0.260 506 E C -1.122 175.447 176.600 -0.051 0.000 0.944 506 E CA -0.936 55.443 56.400 -0.034 0.000 0.815 506 E CB 1.971 31.649 29.700 -0.037 0.000 1.252 506 E HN 0.447 nan 8.360 nan 0.000 0.418 507 S N -0.198 115.471 115.700 -0.051 0.000 2.525 507 S HA 0.290 4.760 4.470 -0.000 0.000 0.285 507 S C 1.021 175.564 174.600 -0.095 0.000 1.283 507 S CA 1.196 59.359 58.200 -0.062 0.000 1.072 507 S CB -0.252 62.919 63.200 -0.049 0.000 0.867 507 S HN 0.804 nan 8.310 nan 0.000 0.492 508 G N 4.287 113.011 108.800 -0.127 0.000 2.217 508 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.246 508 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.246 508 G C -0.184 174.506 174.900 -0.350 0.000 0.990 508 G CA 0.123 45.096 45.100 -0.211 0.000 0.627 508 G HN 0.689 nan 8.290 nan 0.000 0.522 509 D N 0.127 120.379 120.400 -0.246 0.000 2.382 509 D HA 0.489 5.129 4.640 -0.000 0.000 0.240 509 D C 0.591 176.736 176.300 -0.259 0.000 1.146 509 D CA 0.129 53.980 54.000 -0.249 0.000 0.897 509 D CB 0.334 41.075 40.800 -0.097 0.000 1.197 509 D HN 0.189 nan 8.370 nan 0.000 0.432 510 F N 0.214 120.156 119.950 -0.014 0.000 2.379 510 F HA 0.500 5.027 4.527 -0.000 0.000 0.332 510 F C 0.783 176.576 175.800 -0.011 0.000 1.096 510 F CA -0.622 57.371 58.000 -0.013 0.000 1.105 510 F CB 1.195 40.182 39.000 -0.021 0.000 1.189 510 F HN 0.192 nan 8.300 nan 0.000 0.515 511 A N 3.743 126.697 122.820 0.224 0.000 2.449 511 A HA 0.725 5.045 4.320 -0.000 0.000 0.302 511 A C -1.205 176.433 177.584 0.091 0.000 1.048 511 A CA -0.705 51.404 52.037 0.119 0.000 0.708 511 A CB 1.050 20.104 19.000 0.090 0.000 1.274 511 A HN 0.507 nan 8.150 nan 0.000 0.410 512 I N 1.851 122.451 120.570 0.050 0.000 2.342 512 I HA 0.499 4.669 4.170 -0.000 0.000 0.291 512 I C 0.686 176.827 176.117 0.039 0.000 1.010 512 I CA -0.207 61.106 61.300 0.023 0.000 1.308 512 I CB 0.662 38.657 38.000 -0.009 0.000 1.400 512 I HN 0.711 nan 8.210 nan 0.000 0.488 513 A N 7.007 129.858 122.820 0.051 0.000 2.304 513 A HA 0.738 5.058 4.320 -0.000 0.000 0.323 513 A C -0.577 177.048 177.584 0.069 0.000 1.195 513 A CA -0.479 51.613 52.037 0.091 0.000 0.826 513 A CB 1.163 20.248 19.000 0.142 0.000 1.184 513 A HN 0.451 nan 8.150 nan 0.000 0.496 514 V N 4.224 124.188 119.914 0.084 0.000 2.483 514 V HA 0.656 4.776 4.120 -0.000 0.000 0.297 514 V C -0.309 175.846 176.094 0.101 0.000 1.027 514 V CA -0.260 62.051 62.300 0.020 0.000 0.855 514 V CB 1.228 33.056 31.823 0.009 0.000 0.995 514 V HN 1.287 nan 8.190 nan 0.000 0.424 515 H N 2.132 121.208 119.070 0.009 0.000 2.917 515 H HA 0.831 5.387 4.556 -0.000 0.000 0.269 515 H C -0.216 175.117 175.328 0.009 0.000 1.488 515 H CA -0.360 55.694 56.048 0.009 0.000 1.173 515 H CB 1.288 31.058 29.762 0.013 0.000 1.868 515 H HN 0.749 nan 8.280 nan 0.000 0.600 516 G N -1.057 107.856 108.800 0.188 0.000 2.417 516 G HA2 0.541 4.501 3.960 -0.000 0.000 0.334 516 G HA3 0.541 4.501 3.960 -0.000 0.000 0.334 516 G C 0.997 176.012 174.900 0.193 0.000 1.150 516 G CA -0.481 44.680 45.100 0.102 0.000 0.923 516 G HN 1.018 nan 8.290 nan 0.000 0.485 517 V N -0.466 119.501 119.914 0.089 0.000 2.343 517 V HA 0.400 4.520 4.120 -0.000 0.000 0.247 517 V C 1.551 177.706 176.094 0.102 0.000 1.051 517 V CA 3.252 65.612 62.300 0.100 0.000 1.036 517 V CB -1.460 30.392 31.823 0.049 0.000 0.654 517 V HN 1.240 nan 8.190 nan 0.000 0.451 526 N N 3.981 122.661 118.700 -0.034 0.000 2.228 526 N HA 0.339 5.079 4.740 -0.000 0.000 0.237 526 N C -0.997 174.467 175.510 -0.078 0.000 1.382 526 N CA -0.458 52.567 53.050 -0.043 0.000 0.787 526 N CB 0.370 38.843 38.487 -0.024 0.000 1.320 526 N HN 0.610 nan 8.380 nan 0.000 0.507 527 L N 0.627 121.768 121.223 -0.136 0.000 2.422 527 L HA 0.653 4.993 4.340 -0.000 0.000 0.264 527 L C -1.684 175.056 176.870 -0.216 0.000 0.984 527 L CA -0.734 53.985 54.840 -0.202 0.000 0.819 527 L CB 2.298 44.156 42.059 -0.334 0.000 1.330 527 L HN 0.204 nan 8.230 nan 0.000 0.410 528 M N 4.767 124.275 119.600 -0.154 0.000 2.204 528 M HA 0.444 4.924 4.480 -0.000 0.000 0.293 528 M C -1.682 174.567 176.300 -0.085 0.000 0.994 528 M CA -0.544 54.689 55.300 -0.112 0.000 0.925 528 M CB 1.723 34.273 32.600 -0.082 0.000 1.577 528 M HN 0.606 nan 8.290 nan 0.000 0.439 529 K N 4.497 124.864 120.400 -0.055 0.000 2.156 529 K HA 0.698 5.018 4.320 -0.000 0.000 0.250 529 K C -1.021 175.572 176.600 -0.011 0.000 0.955 529 K CA -0.673 55.605 56.287 -0.014 0.000 0.855 529 K CB 2.421 34.947 32.500 0.044 0.000 1.101 529 K HN 0.656 nan 8.250 nan 0.000 0.434 530 I N 2.753 123.312 120.570 -0.019 0.000 2.382 530 I HA 0.273 4.443 4.170 -0.000 0.000 0.286 530 I C -0.718 175.426 176.117 0.044 0.000 1.002 530 I CA -0.976 60.308 61.300 -0.027 0.000 1.135 530 I CB 1.551 39.468 38.000 -0.139 0.000 1.288 530 I HN 0.177 nan 8.210 nan 0.000 0.448 531 V N 6.202 126.184 119.914 0.113 0.000 2.815 531 V HA 0.498 4.618 4.120 -0.000 0.000 0.314 531 V C -0.023 176.214 176.094 0.239 0.000 1.064 531 V CA -0.864 61.524 62.300 0.148 0.000 0.952 531 V CB 2.497 34.383 31.823 0.105 0.000 1.020 531 V HN 0.682 nan 8.190 nan 0.000 0.439 532 R N 1.513 122.126 120.500 0.188 0.000 2.407 532 R HA 0.501 4.841 4.340 -0.000 0.000 0.303 532 R C -0.422 175.890 176.300 0.020 0.000 0.981 532 R CA -0.407 55.748 56.100 0.092 0.000 0.905 532 R CB 1.153 31.479 30.300 0.043 0.000 1.099 532 R HN 0.878 nan 8.270 nan 0.000 0.459 533 C N 7.556 126.837 119.300 -0.031 0.000 2.629 533 C HA 0.423 4.883 4.460 -0.000 0.000 0.410 533 C C -1.689 173.279 174.990 -0.037 0.000 1.339 533 C CA -1.680 57.323 59.018 -0.024 0.000 1.810 533 C CB -0.112 27.608 27.740 -0.033 0.000 2.549 533 C HN 0.665 nan 8.230 nan 0.000 0.589 534 P HA 0.000 nan 4.420 nan 0.000 0.216 534 P CA 0.000 63.087 63.100 -0.022 0.000 0.800 534 P CB 0.000 31.694 31.700 -0.011 0.000 0.726