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 3k4m_1_F DATA FIRST_RESID 46 DATA SEQUENCE KYDVVIVGSG PIGCTYAREL VGAGYKVAMF DIGEIDSGLK IGAHKKNTVE DATA SEQUENCE YQKNIDKFVN VIQGQLMSVS VPVNTLVVDT LSPTSWQAST FFVRNGSNPE DATA SEQUENCE QDPLRNLSGQ AVTRVVGGMS THWTCATPRF DREQRPLLVK DDADADDAEW DATA SEQUENCE DRLYTKAESY FQTGTDQFKE SIRHNLVLNK LTEEYKGQRD FQQIPLAATR DATA SEQUENCE RSPTFVEWSS ANTVFDLQNR PNTDAPEERF NLFPAVACER VVRNALNSEI DATA SEQUENCE ESLHIHDLIS GDRFEIKADV YVLTAGAVHN TQLLVNSGFG QLGRPNPANP DATA SEQUENCE PELLPSLGSY ITEQSLVFCQ TVMSTELIDS VKSDMTIRGT PGELTYSVTY DATA SEQUENCE TPGASTNKHP DWWNEKVKNH MMQHQEDPLP IPFEDPEPQV TTLFQPSHPW DATA SEQUENCE HTQIHRDAFS WGAVQQSIDS RLIVDWRFFG RTEPKEENKL WFSDKITDAY DATA SEQUENCE NMPQPTFDFR FPAGRTSKEA EDMMTDMCVM SAKIGGFLPG SLPQFMEPGL DATA SEQUENCE VLHLGGTHRM GFDEKEDNCC VNTDSRVFGF KNLFLGGCGN IPTAYGANPT DATA SEQUENCE LTAMSLAIKS CEYIKQNFTP SPF 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 46 K HA 0.000 nan 4.320 nan 0.000 0.191 46 K C 0.000 176.236 176.600 -0.607 0.000 0.988 46 K CA 0.000 56.055 56.287 -0.387 0.000 0.838 46 K CB 0.000 32.382 32.500 -0.197 0.000 1.064 47 Y N 1.870 122.142 120.300 -0.046 0.000 2.528 47 Y HA 0.296 4.846 4.550 -0.000 0.000 0.335 47 Y C 0.891 176.750 175.900 -0.069 0.000 1.093 47 Y CA -0.641 57.424 58.100 -0.057 0.000 1.134 47 Y CB 1.712 40.137 38.460 -0.057 0.000 1.253 47 Y HN 0.617 nan 8.280 nan 0.000 0.478 48 D N 0.354 120.826 120.400 0.120 0.000 2.103 48 D HA -0.006 4.634 4.640 -0.000 0.000 0.199 48 D C -0.304 175.972 176.300 -0.039 0.000 0.978 48 D CA 1.425 55.474 54.000 0.081 0.000 0.829 48 D CB 0.179 41.104 40.800 0.209 0.000 0.981 48 D HN 0.120 nan 8.370 nan 0.000 0.464 49 V N 1.022 120.909 119.914 -0.044 0.000 2.638 49 V HA 0.389 4.509 4.120 -0.000 0.000 0.306 49 V C -0.335 175.667 176.094 -0.153 0.000 1.052 49 V CA -1.050 61.139 62.300 -0.185 0.000 0.885 49 V CB 2.483 34.172 31.823 -0.225 0.000 0.999 49 V HN 0.010 nan 8.190 nan 0.000 0.424 50 V N 3.000 122.792 119.914 -0.204 0.000 2.555 50 V HA 0.780 4.900 4.120 -0.000 0.000 0.302 50 V C -0.740 175.310 176.094 -0.073 0.000 1.038 50 V CA -0.627 61.611 62.300 -0.103 0.000 0.887 50 V CB 1.784 33.637 31.823 0.049 0.000 0.991 50 V HN 0.691 nan 8.190 nan 0.000 0.434 51 I N 4.308 124.855 120.570 -0.038 0.000 2.418 51 I HA 0.464 4.634 4.170 -0.000 0.000 0.287 51 I C -0.440 175.701 176.117 0.041 0.000 1.008 51 I CA -0.803 60.457 61.300 -0.066 0.000 1.104 51 I CB 2.193 40.139 38.000 -0.091 0.000 1.264 51 I HN 0.493 nan 8.210 nan 0.000 0.438 52 V N 6.023 125.944 119.914 0.012 0.000 2.385 52 V HA 0.771 4.891 4.120 -0.000 0.000 0.269 52 V C 0.525 176.621 176.094 0.004 0.000 1.043 52 V CA -0.170 62.155 62.300 0.042 0.000 0.906 52 V CB 0.422 32.244 31.823 -0.003 0.000 0.995 52 V HN 1.045 nan 8.190 nan 0.000 0.467 53 G N 4.031 112.851 108.800 0.034 0.000 2.911 53 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.686 53 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.686 53 G C -0.080 174.834 174.900 0.024 0.000 1.136 53 G CA -0.239 44.871 45.100 0.017 0.000 0.764 53 G HN 1.385 nan 8.290 nan 0.000 0.626 54 S N 1.230 116.946 115.700 0.027 0.000 2.624 54 S HA 0.619 5.089 4.470 -0.000 0.000 0.246 54 S C 1.301 175.910 174.600 0.015 0.000 1.072 54 S CA 0.755 58.979 58.200 0.039 0.000 1.045 54 S CB 0.428 63.668 63.200 0.067 0.000 0.851 54 S HN 2.007 nan 8.310 nan 0.000 0.480 55 G N 2.631 111.428 108.800 -0.005 0.000 2.529 55 G HA2 0.359 4.319 3.960 -0.000 0.000 0.277 55 G HA3 0.359 4.319 3.960 -0.000 0.000 0.277 55 G C -1.292 173.585 174.900 -0.038 0.000 1.383 55 G CA -1.034 44.044 45.100 -0.038 0.000 1.050 55 G HN 0.314 nan 8.290 nan 0.000 0.526 56 P HA 0.013 nan 4.420 nan 0.000 0.229 56 P C 1.650 178.906 177.300 -0.074 0.000 1.160 56 P CA 0.568 63.633 63.100 -0.059 0.000 0.777 56 P CB 0.209 31.914 31.700 0.008 0.000 0.814 57 I N -0.306 120.250 120.570 -0.023 0.000 2.494 57 I HA 0.025 4.195 4.170 -0.000 0.000 0.250 57 I C 2.576 178.764 176.117 0.118 0.000 1.112 57 I CA 1.404 62.722 61.300 0.030 0.000 1.438 57 I CB -2.130 35.913 38.000 0.072 0.000 1.111 57 I HN -0.013 nan 8.210 nan 0.000 0.431 58 G N 0.460 109.302 108.800 0.071 0.000 2.442 58 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.219 58 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.219 58 G C 1.736 176.634 174.900 -0.004 0.000 1.141 58 G CA 1.001 46.128 45.100 0.046 0.000 0.763 58 G HN 0.395 nan 8.290 nan 0.000 0.554 59 C N 0.495 119.771 119.300 -0.041 0.000 2.446 59 C HA 0.062 4.522 4.460 -0.000 0.000 0.279 59 C C 3.166 178.027 174.990 -0.215 0.000 1.366 59 C CA 1.265 60.215 59.018 -0.112 0.000 1.763 59 C CB -0.908 26.815 27.740 -0.027 0.000 1.929 59 C HN 0.448 nan 8.230 nan 0.000 0.509 60 T N 0.167 114.617 114.554 -0.174 0.000 2.643 60 T HA -0.177 4.173 4.350 -0.000 0.000 0.264 60 T C 1.470 176.015 174.700 -0.259 0.000 1.045 60 T CA 1.713 63.671 62.100 -0.236 0.000 1.155 60 T CB -0.473 68.282 68.868 -0.188 0.000 0.863 60 T HN 0.553 nan 8.240 nan 0.000 0.420 61 Y N 1.470 121.631 120.300 -0.231 0.000 2.207 61 Y HA -0.089 4.461 4.550 -0.000 0.000 0.287 61 Y C 2.708 178.400 175.900 -0.347 0.000 1.156 61 Y CA 0.917 58.865 58.100 -0.253 0.000 1.182 61 Y CB -0.643 37.686 38.460 -0.218 0.000 0.979 61 Y HN 0.211 nan 8.280 nan 0.000 0.521 62 A N 0.219 122.850 122.820 -0.315 0.000 1.845 62 A HA -0.227 4.093 4.320 -0.000 0.000 0.215 62 A C 2.276 179.332 177.584 -0.881 0.000 1.195 62 A CA 1.795 53.413 52.037 -0.698 0.000 0.616 62 A CB -0.842 17.455 19.000 -1.172 0.000 0.832 62 A HN 0.401 nan 8.150 nan 0.000 0.443 63 R N -0.478 119.504 120.500 -0.863 0.000 2.112 63 R HA -0.208 4.132 4.340 -0.000 0.000 0.242 63 R C 2.109 178.220 176.300 -0.314 0.000 1.137 63 R CA 1.987 57.781 56.100 -0.510 0.000 0.944 63 R CB -0.336 29.682 30.300 -0.470 0.000 0.857 63 R HN 0.574 nan 8.270 nan 0.000 0.435 64 E N 0.193 120.229 120.200 -0.275 0.000 2.085 64 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 64 E C 2.067 178.610 176.600 -0.095 0.000 0.994 64 E CA 1.361 57.675 56.400 -0.143 0.000 0.801 64 E CB -0.022 29.582 29.700 -0.160 0.000 0.743 64 E HN 0.458 nan 8.360 nan 0.000 0.453 65 L N -0.369 120.770 121.223 -0.141 0.000 2.286 65 L HA -0.003 4.337 4.340 -0.000 0.000 0.203 65 L C 2.480 179.399 176.870 0.081 0.000 1.068 65 L CA 0.137 54.949 54.840 -0.046 0.000 0.811 65 L CB -0.242 41.683 42.059 -0.222 0.000 0.989 65 L HN -0.089 nan 8.230 nan 0.000 0.467 66 V N 0.904 120.771 119.914 -0.079 0.000 2.380 66 V HA -0.257 3.863 4.120 -0.000 0.000 0.251 66 V C 2.473 178.595 176.094 0.046 0.000 1.063 66 V CA 2.210 64.500 62.300 -0.016 0.000 1.055 66 V CB -1.046 30.684 31.823 -0.156 0.000 0.657 66 V HN 0.596 nan 8.190 nan 0.000 0.455 67 G N -1.241 107.566 108.800 0.011 0.000 2.572 67 G HA2 0.061 4.021 3.960 -0.000 0.000 0.216 67 G HA3 0.061 4.021 3.960 -0.000 0.000 0.216 67 G C 1.373 176.305 174.900 0.054 0.000 1.133 67 G CA 0.682 45.804 45.100 0.037 0.000 0.791 67 G HN 0.621 nan 8.290 nan 0.000 0.538 68 A N -0.498 122.377 122.820 0.091 0.000 2.275 68 A HA 0.521 4.841 4.320 -0.000 0.000 0.212 68 A C 1.722 179.294 177.584 -0.020 0.000 1.201 68 A CA 1.088 53.172 52.037 0.078 0.000 0.843 68 A CB -0.202 18.908 19.000 0.184 0.000 0.873 68 A HN 1.432 nan 8.150 nan 0.000 0.492 69 G N -2.005 106.808 108.800 0.022 0.000 2.138 69 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.193 69 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.193 69 G C -0.149 174.692 174.900 -0.099 0.000 0.998 69 G CA -0.103 44.978 45.100 -0.033 0.000 0.668 69 G HN 0.361 nan 8.290 nan 0.000 0.516 70 Y N 0.341 120.642 120.300 0.001 0.000 2.301 70 Y HA 0.499 5.049 4.550 -0.000 0.000 0.328 70 Y C 1.025 176.914 175.900 -0.018 0.000 1.242 70 Y CA -0.081 58.012 58.100 -0.011 0.000 1.323 70 Y CB 0.916 39.362 38.460 -0.024 0.000 1.266 70 Y HN 0.049 nan 8.280 nan 0.000 0.527 71 K N 2.673 123.160 120.400 0.146 0.000 2.267 71 K HA 0.454 4.774 4.320 -0.000 0.000 0.282 71 K C -1.656 175.030 176.600 0.145 0.000 1.078 71 K CA -0.236 56.106 56.287 0.091 0.000 0.903 71 K CB 0.260 32.780 32.500 0.034 0.000 1.111 71 K HN 0.476 nan 8.250 nan 0.000 0.475 72 V N 3.400 123.372 119.914 0.098 0.000 2.459 72 V HA 0.503 4.623 4.120 -0.000 0.000 0.295 72 V C -0.227 175.733 176.094 -0.224 0.000 1.029 72 V CA -0.954 61.348 62.300 0.004 0.000 0.874 72 V CB 1.398 33.266 31.823 0.076 0.000 0.985 72 V HN 0.890 nan 8.190 nan 0.000 0.438 73 A N 6.166 128.713 122.820 -0.455 0.000 2.305 73 A HA 0.891 5.211 4.320 -0.000 0.000 0.322 73 A C -0.501 176.738 177.584 -0.575 0.000 1.187 73 A CA -0.523 51.020 52.037 -0.824 0.000 0.825 73 A CB 1.128 19.362 19.000 -1.276 0.000 1.164 73 A HN 0.893 nan 8.150 nan 0.000 0.498 74 M N 2.813 121.978 119.600 -0.725 0.000 2.326 74 M HA 0.691 5.171 4.480 -0.000 0.000 0.306 74 M C -2.155 173.818 176.300 -0.545 0.000 1.054 74 M CA -0.423 54.622 55.300 -0.425 0.000 0.922 74 M CB 1.150 33.700 32.600 -0.084 0.000 1.632 74 M HN 0.609 nan 8.290 nan 0.000 0.436 75 F N 2.316 122.256 119.950 -0.017 0.000 2.495 75 F HA 0.522 5.049 4.527 -0.000 0.000 0.327 75 F C -0.060 175.736 175.800 -0.007 0.000 1.103 75 F CA -0.570 57.439 58.000 0.016 0.000 0.949 75 F CB 1.437 40.435 39.000 -0.003 0.000 1.142 75 F HN 0.445 nan 8.300 nan 0.000 0.457 76 D N 2.959 123.454 120.400 0.159 0.000 2.649 76 D HA 0.218 4.858 4.640 -0.000 0.000 0.249 76 D C 0.801 177.125 176.300 0.040 0.000 1.112 76 D CA -0.340 53.703 54.000 0.071 0.000 0.850 76 D CB 2.387 43.211 40.800 0.039 0.000 1.399 76 D HN 0.677 nan 8.370 nan 0.000 0.503 77 I N 2.357 122.901 120.570 -0.044 0.000 2.423 77 I HA -0.091 4.079 4.170 -0.000 0.000 0.254 77 I C 1.091 177.164 176.117 -0.073 0.000 1.151 77 I CA 1.131 62.356 61.300 -0.124 0.000 1.421 77 I CB 0.159 37.963 38.000 -0.327 0.000 1.079 77 I HN 0.344 nan 8.210 nan 0.000 0.431 78 G N -0.451 108.327 108.800 -0.036 0.000 2.568 78 G HA2 0.500 4.460 3.960 -0.000 0.000 0.293 78 G HA3 0.500 4.460 3.960 -0.000 0.000 0.293 78 G C -0.845 174.073 174.900 0.030 0.000 1.347 78 G CA -0.429 44.675 45.100 0.008 0.000 1.039 78 G HN 0.338 nan 8.290 nan 0.000 0.523 79 E N -1.774 118.449 120.200 0.039 0.000 2.431 79 E HA 0.440 4.790 4.350 -0.000 0.000 0.268 79 E C -0.861 175.764 176.600 0.040 0.000 0.953 79 E CA -0.794 55.630 56.400 0.041 0.000 0.810 79 E CB 2.328 32.055 29.700 0.045 0.000 1.369 79 E HN 0.276 nan 8.360 nan 0.000 0.440 80 I N 1.986 122.579 120.570 0.038 0.000 2.342 80 I HA 0.146 4.316 4.170 -0.000 0.000 0.291 80 I C -0.055 176.091 176.117 0.047 0.000 1.010 80 I CA 0.330 61.654 61.300 0.040 0.000 1.308 80 I CB 0.515 38.534 38.000 0.032 0.000 1.400 80 I HN 0.611 nan 8.210 nan 0.000 0.488 81 D N 1.653 122.088 120.400 0.058 0.000 2.412 81 D HA -0.089 4.551 4.640 -0.000 0.000 0.326 81 D C 0.601 176.954 176.300 0.089 0.000 1.209 81 D CA 0.016 54.057 54.000 0.067 0.000 0.876 81 D CB -0.260 40.579 40.800 0.065 0.000 1.344 81 D HN 0.375 nan 8.370 nan 0.000 0.503 82 S N 0.599 116.358 115.700 0.099 0.000 2.815 82 S HA 0.581 5.051 4.470 -0.000 0.000 0.254 82 S C 1.111 175.785 174.600 0.123 0.000 1.197 82 S CA 0.099 58.377 58.200 0.131 0.000 1.216 82 S CB -0.426 62.863 63.200 0.149 0.000 0.871 82 S HN 0.843 nan 8.310 nan 0.000 0.473 83 G N 1.062 109.921 108.800 0.099 0.000 2.660 83 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.247 83 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.247 83 G C 0.130 175.068 174.900 0.064 0.000 1.328 83 G CA -0.357 44.795 45.100 0.087 0.000 0.884 83 G HN 0.415 nan 8.290 nan 0.000 0.531 84 L N 0.163 121.417 121.223 0.052 0.000 2.291 84 L HA 0.093 4.433 4.340 -0.000 0.000 0.214 84 L C 1.467 178.353 176.870 0.026 0.000 1.120 84 L CA 0.933 55.793 54.840 0.033 0.000 0.799 84 L CB -0.346 41.727 42.059 0.024 0.000 0.925 84 L HN 0.343 nan 8.230 nan 0.000 0.446 85 K N 1.774 122.199 120.400 0.041 0.000 2.284 85 K HA 0.345 4.665 4.320 -0.000 0.000 0.287 85 K C -0.384 176.241 176.600 0.042 0.000 1.081 85 K CA -0.177 56.130 56.287 0.034 0.000 0.910 85 K CB 1.081 33.616 32.500 0.058 0.000 1.088 85 K HN 0.079 nan 8.250 nan 0.000 0.478 86 I N 1.509 122.088 120.570 0.014 0.000 2.441 86 I HA 0.059 4.229 4.170 -0.000 0.000 0.287 86 I C 1.285 177.420 176.117 0.031 0.000 1.049 86 I CA 0.416 61.729 61.300 0.022 0.000 1.381 86 I CB 0.831 38.835 38.000 0.007 0.000 1.409 86 I HN 0.942 nan 8.210 nan 0.000 0.523 87 G N 4.158 112.988 108.800 0.050 0.000 2.143 87 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.248 87 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.248 87 G C 0.239 175.189 174.900 0.084 0.000 0.991 87 G CA 0.080 45.213 45.100 0.055 0.000 0.689 87 G HN 0.965 nan 8.290 nan 0.000 0.522 88 A N -0.496 122.392 122.820 0.113 0.000 2.257 88 A HA 0.668 4.988 4.320 -0.000 0.000 0.289 88 A C 0.487 178.201 177.584 0.216 0.000 1.095 88 A CA -0.429 51.713 52.037 0.176 0.000 0.836 88 A CB 0.376 19.483 19.000 0.178 0.000 1.111 88 A HN 0.565 nan 8.150 nan 0.000 0.497 89 H N 0.463 119.672 119.070 0.231 0.000 2.899 89 H HA 0.108 4.664 4.556 -0.000 0.000 0.303 89 H C 0.562 176.031 175.328 0.236 0.000 1.042 89 H CA 0.723 56.926 56.048 0.258 0.000 1.479 89 H CB 0.806 30.736 29.762 0.280 0.000 1.493 89 H HN 0.634 nan 8.280 nan 0.000 0.534 90 K N 3.550 124.200 120.400 0.417 0.000 2.486 90 K HA -0.064 4.256 4.320 -0.000 0.000 0.194 90 K C 1.625 178.488 176.600 0.437 0.000 1.033 90 K CA 0.376 56.949 56.287 0.477 0.000 1.004 90 K CB 0.487 33.281 32.500 0.489 0.000 0.798 90 K HN 0.385 nan 8.250 nan 0.000 0.495 91 K N 0.897 121.380 120.400 0.137 0.000 2.418 91 K HA 0.021 4.341 4.320 -0.000 0.000 0.195 91 K C 0.433 177.018 176.600 -0.025 0.000 1.035 91 K CA 0.407 56.357 56.287 -0.562 0.000 1.003 91 K CB 0.298 32.132 32.500 -1.110 0.000 0.793 91 K HN -0.013 nan 8.250 nan 0.000 0.494 92 N N 1.739 120.559 118.700 0.199 0.000 2.484 92 N HA -0.021 4.719 4.740 -0.000 0.000 0.245 92 N C -0.749 175.037 175.510 0.460 0.000 1.184 92 N CA 0.306 53.532 53.050 0.292 0.000 0.884 92 N CB 0.474 39.167 38.487 0.343 0.000 1.182 92 N HN 0.258 nan 8.380 nan 0.000 0.493 93 T N -4.560 110.249 114.554 0.425 0.000 2.940 93 T HA 0.361 4.711 4.350 -0.000 0.000 0.288 93 T C 1.486 176.427 174.700 0.401 0.000 1.033 93 T CA -0.783 61.541 62.100 0.373 0.000 1.033 93 T CB 1.595 70.633 68.868 0.283 0.000 1.079 93 T HN -0.196 nan 8.240 nan 0.000 0.496 94 V N 0.995 121.075 119.914 0.277 0.000 2.407 94 V HA -0.091 4.029 4.120 -0.000 0.000 0.248 94 V C 2.821 179.012 176.094 0.161 0.000 1.055 94 V CA 2.292 64.735 62.300 0.238 0.000 1.049 94 V CB -0.979 30.897 31.823 0.089 0.000 0.662 94 V HN 1.043 nan 8.190 nan 0.000 0.455 95 E N -0.179 120.058 120.200 0.061 0.000 2.077 95 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 95 E C 2.014 178.570 176.600 -0.073 0.000 0.989 95 E CA 1.806 58.171 56.400 -0.059 0.000 0.800 95 E CB -0.368 29.221 29.700 -0.186 0.000 0.746 95 E HN 0.659 nan 8.360 nan 0.000 0.452 96 Y N 0.919 121.307 120.300 0.147 0.000 2.220 96 Y HA -0.074 4.476 4.550 -0.000 0.000 0.291 96 Y C 2.307 178.258 175.900 0.085 0.000 1.129 96 Y CA 1.377 59.553 58.100 0.126 0.000 1.161 96 Y CB -0.323 38.209 38.460 0.119 0.000 0.997 96 Y HN 0.145 nan 8.280 nan 0.000 0.522 97 Q N 0.233 120.178 119.800 0.242 0.000 2.364 97 Q HA -0.161 4.179 4.340 -0.000 0.000 0.209 97 Q C 1.664 177.760 176.000 0.161 0.000 0.977 97 Q CA 1.103 57.003 55.803 0.162 0.000 0.885 97 Q CB -0.210 28.607 28.738 0.131 0.000 0.941 97 Q HN 0.504 nan 8.270 nan 0.000 0.464 98 K N 0.295 120.787 120.400 0.155 0.000 2.361 98 K HA 0.065 4.385 4.320 -0.000 0.000 0.196 98 K C 0.490 177.161 176.600 0.119 0.000 1.039 98 K CA 0.289 56.647 56.287 0.118 0.000 1.001 98 K CB 0.491 33.043 32.500 0.087 0.000 0.795 98 K HN 0.097 nan 8.250 nan 0.000 0.495 99 N N 1.042 119.835 118.700 0.155 0.000 2.664 99 N HA 0.054 4.794 4.740 -0.000 0.000 0.287 99 N C 0.096 175.764 175.510 0.263 0.000 1.869 99 N CA 0.070 53.224 53.050 0.174 0.000 0.832 99 N CB 0.950 39.517 38.487 0.133 0.000 1.293 99 N HN 0.083 nan 8.380 nan 0.000 0.498 100 I N -0.201 120.505 120.570 0.227 0.000 2.756 100 I HA -0.140 4.030 4.170 -0.000 0.000 0.262 100 I C 0.699 176.944 176.117 0.213 0.000 1.225 100 I CA 1.240 62.668 61.300 0.214 0.000 1.472 100 I CB 0.361 38.438 38.000 0.129 0.000 1.094 100 I HN 0.010 nan 8.210 nan 0.000 0.454 101 D N 1.218 121.750 120.400 0.221 0.000 2.224 101 D HA -0.115 4.525 4.640 -0.000 0.000 0.205 101 D C 1.926 178.315 176.300 0.148 0.000 0.965 101 D CA 0.604 54.713 54.000 0.181 0.000 0.852 101 D CB 0.027 40.980 40.800 0.256 0.000 0.947 101 D HN 0.256 nan 8.370 nan 0.000 0.494 102 K N 0.117 120.654 120.400 0.229 0.000 2.360 102 K HA -0.097 4.223 4.320 -0.000 0.000 0.201 102 K C 1.717 178.452 176.600 0.224 0.000 1.046 102 K CA 0.068 56.502 56.287 0.246 0.000 0.945 102 K CB -0.396 32.306 32.500 0.337 0.000 0.750 102 K HN 0.220 nan 8.250 nan 0.000 0.464 103 F N 1.340 121.275 119.950 -0.024 0.000 2.365 103 F HA -0.148 4.379 4.527 -0.000 0.000 0.300 103 F C 1.876 177.549 175.800 -0.212 0.000 1.090 103 F CA 0.397 58.205 58.000 -0.320 0.000 1.408 103 F CB -0.078 38.689 39.000 -0.389 0.000 1.060 103 F HN -0.296 nan 8.300 nan 0.000 0.534 104 V N 0.737 120.586 119.914 -0.109 0.000 2.317 104 V HA -0.423 3.697 4.120 -0.000 0.000 0.251 104 V C 1.891 177.814 176.094 -0.285 0.000 1.065 104 V CA 2.570 64.747 62.300 -0.204 0.000 1.049 104 V CB -0.965 30.741 31.823 -0.196 0.000 0.651 104 V HN 0.407 nan 8.190 nan 0.000 0.450 105 N N -0.342 118.221 118.700 -0.227 0.000 2.120 105 N HA -0.141 4.599 4.740 -0.000 0.000 0.188 105 N C 1.662 177.010 175.510 -0.271 0.000 1.024 105 N CA 1.383 54.317 53.050 -0.193 0.000 0.852 105 N CB -0.329 38.107 38.487 -0.085 0.000 1.003 105 N HN 0.333 nan 8.380 nan 0.000 0.424 106 V N 1.469 121.118 119.914 -0.441 0.000 2.287 106 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 106 V C 2.074 177.860 176.094 -0.513 0.000 1.053 106 V CA 1.520 63.500 62.300 -0.534 0.000 1.027 106 V CB -0.578 30.646 31.823 -0.998 0.000 0.646 106 V HN 0.309 nan 8.190 nan 0.000 0.447 107 I N -0.406 119.768 120.570 -0.659 0.000 2.099 107 I HA -0.352 3.818 4.170 -0.000 0.000 0.239 107 I C 2.738 178.611 176.117 -0.407 0.000 1.066 107 I CA 1.894 62.838 61.300 -0.594 0.000 1.324 107 I CB -0.545 37.121 38.000 -0.555 0.000 1.037 107 I HN 0.337 nan 8.210 nan 0.000 0.401 108 Q N 0.458 120.073 119.800 -0.309 0.000 2.152 108 Q HA -0.195 4.145 4.340 -0.000 0.000 0.206 108 Q C 2.226 178.136 176.000 -0.151 0.000 0.985 108 Q CA 1.674 57.353 55.803 -0.207 0.000 0.863 108 Q CB -0.469 28.163 28.738 -0.177 0.000 0.904 108 Q HN 0.679 nan 8.270 nan 0.000 0.422 109 G N 0.796 109.505 108.800 -0.152 0.000 2.559 109 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 109 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 109 G C 0.935 175.800 174.900 -0.059 0.000 1.126 109 G CA 0.718 45.764 45.100 -0.091 0.000 0.778 109 G HN 0.490 nan 8.290 nan 0.000 0.543 110 Q N -0.638 119.118 119.800 -0.073 0.000 2.110 110 Q HA 0.401 4.741 4.340 -0.000 0.000 0.232 110 Q C -0.355 175.657 176.000 0.021 0.000 0.810 110 Q CA -0.292 55.508 55.803 -0.004 0.000 1.083 110 Q CB 0.111 28.870 28.738 0.036 0.000 1.193 110 Q HN 0.237 nan 8.270 nan 0.000 0.471 111 L N 2.055 123.261 121.223 -0.028 0.000 2.277 111 L HA 0.515 4.855 4.340 -0.000 0.000 0.284 111 L C -0.938 175.943 176.870 0.017 0.000 1.028 111 L CA -0.773 54.067 54.840 0.000 0.000 0.835 111 L CB 1.139 43.162 42.059 -0.059 0.000 1.215 111 L HN 0.214 nan 8.230 nan 0.000 0.425 112 M N 2.158 121.793 119.600 0.059 0.000 2.101 112 M HA 0.271 4.751 4.480 -0.000 0.000 0.340 112 M C 0.282 176.626 176.300 0.073 0.000 1.057 112 M CA -0.105 55.234 55.300 0.065 0.000 0.984 112 M CB 1.516 34.172 32.600 0.094 0.000 1.560 112 M HN 0.296 nan 8.290 nan 0.000 0.435 113 S N 1.660 117.389 115.700 0.048 0.000 2.573 113 S HA 0.062 4.532 4.470 -0.000 0.000 0.297 113 S C 1.508 176.149 174.600 0.069 0.000 1.280 113 S CA -0.442 57.786 58.200 0.047 0.000 1.061 113 S CB 0.491 63.705 63.200 0.023 0.000 0.812 113 S HN 0.583 nan 8.310 nan 0.000 0.500 114 V N 2.417 122.385 119.914 0.090 0.000 2.323 114 V HA 0.028 4.148 4.120 -0.000 0.000 0.244 114 V C 1.153 177.259 176.094 0.020 0.000 1.041 114 V CA 1.378 63.724 62.300 0.078 0.000 1.025 114 V CB 0.082 32.004 31.823 0.164 0.000 0.656 114 V HN 0.787 nan 8.190 nan 0.000 0.451 115 S N -0.391 115.339 115.700 0.051 0.000 2.737 115 S HA 0.490 4.960 4.470 -0.000 0.000 0.269 115 S C -1.114 173.490 174.600 0.008 0.000 1.150 115 S CA -0.467 57.729 58.200 -0.007 0.000 1.077 115 S CB 1.392 64.561 63.200 -0.051 0.000 1.075 115 S HN 0.008 nan 8.310 nan 0.000 0.476 116 V N 7.650 127.556 119.914 -0.013 0.000 2.347 116 V HA 0.545 4.665 4.120 -0.000 0.000 0.280 116 V C -1.914 174.164 176.094 -0.028 0.000 1.021 116 V CA -1.803 60.487 62.300 -0.017 0.000 0.847 116 V CB 1.253 33.065 31.823 -0.018 0.000 0.990 116 V HN 0.686 nan 8.190 nan 0.000 0.444 117 P HA 0.155 nan 4.420 nan 0.000 0.272 117 P C -0.069 177.207 177.300 -0.040 0.000 1.240 117 P CA -0.145 62.937 63.100 -0.031 0.000 0.791 117 P CB 0.905 32.588 31.700 -0.029 0.000 0.978 118 V N 2.361 122.254 119.914 -0.035 0.000 2.694 118 V HA -0.066 4.053 4.120 -0.000 0.000 0.306 118 V C 1.269 177.310 176.094 -0.088 0.000 1.054 118 V CA 0.385 62.658 62.300 -0.044 0.000 1.161 118 V CB -0.675 31.144 31.823 -0.007 0.000 0.916 118 V HN 0.642 nan 8.190 nan 0.000 0.490 119 N N 3.551 122.185 118.700 -0.109 0.000 2.472 119 N HA 0.133 4.873 4.740 -0.000 0.000 0.277 119 N C 0.541 175.870 175.510 -0.302 0.000 1.081 119 N CA 0.280 53.236 53.050 -0.158 0.000 0.973 119 N CB 1.681 40.102 38.487 -0.111 0.000 1.105 119 N HN 0.840 nan 8.380 nan 0.000 0.470 120 T N 0.813 115.077 114.554 -0.483 0.000 3.228 120 T HA 0.271 4.621 4.350 -0.000 0.000 0.278 120 T C 0.587 174.748 174.700 -0.899 0.000 1.014 120 T CA -0.408 61.017 62.100 -1.126 0.000 0.904 120 T CB -0.362 67.974 68.868 -0.887 0.000 1.110 120 T HN 0.234 nan 8.240 nan 0.000 0.541 121 L N 2.285 123.277 121.223 -0.386 0.000 2.410 121 L HA 0.308 4.648 4.340 -0.000 0.000 0.273 121 L C 0.237 177.118 176.870 0.017 0.000 1.152 121 L CA -0.248 54.498 54.840 -0.156 0.000 0.855 121 L CB 0.890 42.905 42.059 -0.073 0.000 1.129 121 L HN 0.096 nan 8.230 nan 0.000 0.463 122 V N 5.072 125.034 119.914 0.080 0.000 2.439 122 V HA 0.122 4.242 4.120 -0.000 0.000 0.271 122 V C 0.133 176.291 176.094 0.107 0.000 1.040 122 V CA -0.369 62.040 62.300 0.181 0.000 1.002 122 V CB 1.026 32.933 31.823 0.140 0.000 1.000 122 V HN 0.401 nan 8.190 nan 0.000 0.477 123 V N 5.675 125.658 119.914 0.114 0.000 2.334 123 V HA 0.364 4.484 4.120 -0.000 0.000 0.281 123 V C 0.195 176.321 176.094 0.054 0.000 1.016 123 V CA -0.439 61.903 62.300 0.070 0.000 0.832 123 V CB 1.497 33.362 31.823 0.070 0.000 0.999 123 V HN 1.063 nan 8.190 nan 0.000 0.439 124 D N 2.039 122.462 120.400 0.039 0.000 2.571 124 D HA 0.024 4.664 4.640 -0.000 0.000 0.239 124 D C 1.039 177.349 176.300 0.016 0.000 1.267 124 D CA 0.201 54.215 54.000 0.023 0.000 0.823 124 D CB 0.446 41.259 40.800 0.021 0.000 1.056 124 D HN 0.550 nan 8.370 nan 0.000 0.494 125 T N -2.061 112.505 114.554 0.020 0.000 3.182 125 T HA 0.312 4.662 4.350 -0.000 0.000 0.277 125 T C 0.802 175.514 174.700 0.019 0.000 1.013 125 T CA -0.506 61.604 62.100 0.017 0.000 0.900 125 T CB -0.102 68.776 68.868 0.017 0.000 1.098 125 T HN 0.019 nan 8.240 nan 0.000 0.543 126 L N 2.263 123.500 121.223 0.022 0.000 2.499 126 L HA 0.248 4.588 4.340 -0.000 0.000 0.281 126 L C 1.115 177.996 176.870 0.018 0.000 1.234 126 L CA -0.428 54.427 54.840 0.026 0.000 0.839 126 L CB 0.224 42.302 42.059 0.033 0.000 1.104 126 L HN 0.240 nan 8.230 nan 0.000 0.500 127 S N 2.449 118.163 115.700 0.022 0.000 2.549 127 S HA 0.118 4.588 4.470 -0.000 0.000 0.286 127 S C -1.287 173.320 174.600 0.012 0.000 1.314 127 S CA -1.142 57.069 58.200 0.018 0.000 1.062 127 S CB 0.748 63.962 63.200 0.024 0.000 0.865 127 S HN 0.424 nan 8.310 nan 0.000 0.498 128 P HA -0.106 nan 4.420 nan 0.000 0.219 128 P C 1.295 178.595 177.300 0.001 0.000 1.144 128 P CA 1.421 64.518 63.100 -0.006 0.000 0.806 128 P CB -0.406 31.290 31.700 -0.006 0.000 0.771 129 T N -5.817 108.747 114.554 0.016 0.000 3.088 129 T HA 0.114 4.464 4.350 -0.000 0.000 0.259 129 T C 1.010 175.742 174.700 0.054 0.000 1.122 129 T CA 0.004 62.121 62.100 0.029 0.000 1.095 129 T CB -0.461 68.426 68.868 0.031 0.000 0.930 129 T HN -0.095 nan 8.240 nan 0.000 0.508 130 S N 1.180 116.916 115.700 0.059 0.000 2.584 130 S HA 0.362 4.832 4.470 -0.000 0.000 0.273 130 S C -0.647 174.037 174.600 0.141 0.000 1.311 130 S CA -1.014 57.250 58.200 0.108 0.000 1.034 130 S CB 0.304 63.562 63.200 0.097 0.000 0.939 130 S HN 0.593 nan 8.310 nan 0.000 0.513 131 W N 2.823 124.133 121.300 0.016 0.000 2.210 131 W HA 0.187 4.847 4.660 -0.000 0.000 0.330 131 W C 0.220 176.756 176.519 0.029 0.000 1.334 131 W CA 0.303 57.658 57.345 0.017 0.000 1.227 131 W CB 0.285 29.755 29.460 0.017 0.000 1.178 131 W HN 0.447 nan 8.180 nan 0.000 0.560 132 Q N 4.720 124.185 119.800 -0.559 0.000 2.269 132 Q HA 0.483 4.823 4.340 -0.000 0.000 0.263 132 Q C -0.526 174.881 176.000 -0.988 0.000 0.983 132 Q CA -0.636 54.879 55.803 -0.481 0.000 0.777 132 Q CB 1.793 30.385 28.738 -0.244 0.000 1.273 132 Q HN 0.622 nan 8.270 nan 0.000 0.440 133 A N 1.756 124.129 122.820 -0.744 0.000 2.296 133 A HA 0.326 4.646 4.320 -0.000 0.000 0.264 133 A C 0.691 178.115 177.584 -0.267 0.000 1.097 133 A CA -0.068 51.675 52.037 -0.491 0.000 0.811 133 A CB 0.785 19.922 19.000 0.229 0.000 1.072 133 A HN 0.753 nan 8.150 nan 0.000 0.495 134 S N -1.009 114.571 115.700 -0.200 0.000 2.535 134 S HA 0.170 4.640 4.470 -0.000 0.000 0.214 134 S C 0.527 175.013 174.600 -0.189 0.000 0.980 134 S CA 0.703 58.788 58.200 -0.190 0.000 0.907 134 S CB -0.173 62.937 63.200 -0.151 0.000 0.790 134 S HN 1.083 nan 8.310 nan 0.000 0.510 135 T N -1.294 113.183 114.554 -0.129 0.000 2.896 135 T HA 0.604 4.954 4.350 -0.000 0.000 0.297 135 T C -0.703 173.917 174.700 -0.135 0.000 1.108 135 T CA -0.703 61.313 62.100 -0.140 0.000 1.004 135 T CB 0.705 69.605 68.868 0.053 0.000 1.159 135 T HN -0.084 nan 8.240 nan 0.000 0.499 136 F N 3.249 123.264 119.950 0.108 0.000 2.679 136 F HA 0.340 4.867 4.527 0.000 0.000 0.351 136 F C 0.488 176.316 175.800 0.048 0.000 1.279 136 F CA -1.824 56.196 58.000 0.034 0.000 1.227 136 F CB -1.270 37.730 39.000 -0.001 0.000 1.623 136 F HN 0.552 nan 8.300 nan 0.000 0.666 137 F N -0.989 119.064 119.950 0.171 0.000 2.375 137 F HA 0.597 5.124 4.527 -0.000 0.000 0.313 137 F C 0.002 175.874 175.800 0.121 0.000 1.176 137 F CA -1.761 56.315 58.000 0.126 0.000 1.142 137 F CB -0.157 38.906 39.000 0.105 0.000 1.275 137 F HN -0.184 nan 8.300 nan 0.000 0.544 138 V N 2.822 122.881 119.914 0.242 0.000 2.434 138 V HA 0.180 4.300 4.120 -0.000 0.000 0.281 138 V C 0.199 176.326 176.094 0.054 0.000 1.005 138 V CA 0.251 62.617 62.300 0.109 0.000 1.089 138 V CB -0.947 30.964 31.823 0.146 0.000 0.978 138 V HN 0.716 nan 8.190 nan 0.000 0.474 139 R N 3.897 124.324 120.500 -0.121 0.000 2.744 139 R HA 0.466 4.806 4.340 -0.000 0.000 0.279 139 R C 0.224 176.486 176.300 -0.062 0.000 0.977 139 R CA -0.867 55.138 56.100 -0.160 0.000 0.906 139 R CB 1.305 31.383 30.300 -0.371 0.000 1.197 139 R HN 0.687 nan 8.270 nan 0.000 0.463 140 N N 0.710 119.398 118.700 -0.020 0.000 2.747 140 N HA -0.181 4.559 4.740 -0.000 0.000 0.249 140 N C 0.435 175.937 175.510 -0.013 0.000 1.107 140 N CA 1.547 54.587 53.050 -0.018 0.000 0.707 140 N CB -1.140 37.326 38.487 -0.035 0.000 1.054 140 N HN 1.056 nan 8.380 nan 0.000 0.555 141 G N -1.921 106.878 108.800 -0.003 0.000 2.176 141 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.253 141 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.253 141 G C 0.234 175.131 174.900 -0.005 0.000 0.979 141 G CA 0.945 46.044 45.100 -0.001 0.000 0.641 141 G HN 1.375 nan 8.290 nan 0.000 0.530 142 S N -0.371 115.321 115.700 -0.014 0.000 2.584 142 S HA 0.462 4.932 4.470 -0.000 0.000 0.270 142 S C 0.140 174.733 174.600 -0.012 0.000 1.346 142 S CA 0.190 58.378 58.200 -0.020 0.000 1.018 142 S CB 1.700 64.879 63.200 -0.035 0.000 0.899 142 S HN 0.709 nan 8.310 nan 0.000 0.542 143 N N 2.191 120.877 118.700 -0.023 0.000 2.527 143 N HA 0.358 5.098 4.740 -0.000 0.000 0.236 143 N C -1.694 173.805 175.510 -0.019 0.000 0.999 143 N CA -2.566 50.464 53.050 -0.033 0.000 0.935 143 N CB 1.153 39.594 38.487 -0.077 0.000 1.132 143 N HN 0.365 nan 8.380 nan 0.000 0.511 144 P HA -0.057 nan 4.420 nan 0.000 0.230 144 P C 0.419 177.745 177.300 0.043 0.000 1.158 144 P CA 0.808 63.929 63.100 0.034 0.000 0.769 144 P CB 0.570 32.304 31.700 0.057 0.000 0.807 145 E N -0.051 120.164 120.200 0.026 0.000 2.268 145 E HA -0.116 4.234 4.350 -0.000 0.000 0.195 145 E C 1.008 177.632 176.600 0.040 0.000 0.995 145 E CA 0.711 57.151 56.400 0.065 0.000 0.836 145 E CB -0.240 29.449 29.700 -0.017 0.000 0.763 145 E HN 0.349 nan 8.360 nan 0.000 0.491 146 Q N 2.110 121.893 119.800 -0.027 0.000 2.294 146 Q HA 0.042 4.382 4.340 -0.000 0.000 0.257 146 Q C -0.803 175.208 176.000 0.019 0.000 0.955 146 Q CA -0.286 55.496 55.803 -0.036 0.000 0.936 146 Q CB 0.917 29.614 28.738 -0.069 0.000 1.188 146 Q HN -0.210 nan 8.270 nan 0.000 0.420 147 D N 5.926 126.355 120.400 0.049 0.000 2.358 147 D HA 0.058 4.698 4.640 -0.000 0.000 0.258 147 D C -1.691 174.626 176.300 0.028 0.000 1.223 147 D CA -1.862 52.166 54.000 0.046 0.000 0.886 147 D CB 1.311 42.149 40.800 0.064 0.000 1.120 147 D HN 0.451 nan 8.370 nan 0.000 0.482 148 P HA -0.070 nan 4.420 nan 0.000 0.226 148 P C 1.133 178.436 177.300 0.005 0.000 1.153 148 P CA 0.663 63.762 63.100 -0.001 0.000 0.777 148 P CB 0.233 31.920 31.700 -0.021 0.000 0.794 149 L N -1.087 120.143 121.223 0.012 0.000 2.629 149 L HA 0.207 4.547 4.340 -0.000 0.000 0.230 149 L C 1.353 178.239 176.870 0.026 0.000 1.151 149 L CA 0.205 55.054 54.840 0.014 0.000 0.924 149 L CB -0.322 41.741 42.059 0.007 0.000 1.137 149 L HN -0.184 nan 8.230 nan 0.000 0.457 150 R N -0.284 120.241 120.500 0.041 0.000 2.635 150 R HA 0.225 4.565 4.340 -0.000 0.000 0.393 150 R C -0.497 175.861 176.300 0.096 0.000 1.070 150 R CA -0.268 55.871 56.100 0.064 0.000 1.118 150 R CB 0.361 30.701 30.300 0.066 0.000 1.341 150 R HN 0.061 nan 8.270 nan 0.000 0.628 151 N N 0.474 119.207 118.700 0.055 0.000 2.457 151 N HA 0.414 5.154 4.740 -0.000 0.000 0.290 151 N C -0.800 174.616 175.510 -0.158 0.000 1.232 151 N CA -0.691 52.368 53.050 0.015 0.000 0.852 151 N CB 1.409 39.904 38.487 0.013 0.000 1.313 151 N HN 0.067 nan 8.380 nan 0.000 0.522 152 L N 2.145 123.125 121.223 -0.405 0.000 2.504 152 L HA 0.210 4.550 4.340 -0.000 0.000 0.249 152 L C 1.441 178.129 176.870 -0.304 0.000 1.120 152 L CA -0.249 54.232 54.840 -0.598 0.000 0.997 152 L CB 0.417 41.719 42.059 -1.261 0.000 1.349 152 L HN 0.651 nan 8.230 nan 0.000 0.439 153 S N -0.173 115.442 115.700 -0.143 0.000 2.399 153 S HA -0.134 4.336 4.470 -0.000 0.000 0.231 153 S C 1.811 176.373 174.600 -0.063 0.000 1.022 153 S CA 1.165 59.327 58.200 -0.063 0.000 0.983 153 S CB -0.224 62.951 63.200 -0.041 0.000 0.803 153 S HN 0.622 nan 8.310 nan 0.000 0.480 154 G N 0.619 109.366 108.800 -0.089 0.000 2.650 154 G HA2 0.069 4.029 3.960 -0.000 0.000 0.214 154 G HA3 0.069 4.029 3.960 -0.000 0.000 0.214 154 G C 0.589 175.451 174.900 -0.064 0.000 1.136 154 G CA -0.267 44.792 45.100 -0.069 0.000 0.789 154 G HN 0.397 nan 8.290 nan 0.000 0.536 155 Q N 0.625 120.363 119.800 -0.103 0.000 2.286 155 Q HA 0.436 4.776 4.340 -0.000 0.000 0.290 155 Q C -0.035 175.993 176.000 0.046 0.000 1.049 155 Q CA 0.350 56.127 55.803 -0.043 0.000 0.923 155 Q CB 1.243 29.930 28.738 -0.085 0.000 1.183 155 Q HN 0.299 nan 8.270 nan 0.000 0.383 156 A N 2.236 125.096 122.820 0.066 0.000 2.569 156 A HA 0.784 5.104 4.320 -0.000 0.000 0.290 156 A C -0.899 176.754 177.584 0.115 0.000 1.136 156 A CA -0.527 51.558 52.037 0.081 0.000 0.710 156 A CB 1.445 20.474 19.000 0.048 0.000 1.303 156 A HN 0.494 nan 8.150 nan 0.000 0.413 157 V N -2.473 117.521 119.914 0.133 0.000 3.074 157 V HA 0.952 5.072 4.120 -0.000 0.000 0.314 157 V C -0.497 175.689 176.094 0.153 0.000 1.117 157 V CA -0.536 61.864 62.300 0.167 0.000 1.014 157 V CB 1.594 33.562 31.823 0.241 0.000 1.057 157 V HN 0.892 nan 8.190 nan 0.000 0.438 158 T N 2.321 116.961 114.554 0.144 0.000 2.848 158 T HA 0.614 4.964 4.350 -0.000 0.000 0.285 158 T C -0.415 174.324 174.700 0.066 0.000 0.995 158 T CA -0.499 61.671 62.100 0.116 0.000 0.970 158 T CB 1.271 70.220 68.868 0.135 0.000 0.976 158 T HN 0.782 nan 8.240 nan 0.000 0.441 159 R N 2.395 122.924 120.500 0.048 0.000 2.494 159 R HA 0.575 4.915 4.340 -0.000 0.000 0.284 159 R C -0.748 175.565 176.300 0.021 0.000 1.525 159 R CA -0.572 55.528 56.100 0.001 0.000 1.460 159 R CB 0.821 31.095 30.300 -0.045 0.000 1.134 159 R HN 0.513 nan 8.270 nan 0.000 0.592 160 V N -2.069 117.858 119.914 0.021 0.000 3.049 160 V HA 0.501 4.621 4.120 -0.000 0.000 0.309 160 V C 0.170 176.276 176.094 0.020 0.000 1.148 160 V CA -1.175 61.142 62.300 0.028 0.000 0.990 160 V CB 1.993 33.839 31.823 0.039 0.000 1.039 160 V HN 0.079 nan 8.190 nan 0.000 0.430 161 V N 3.021 122.952 119.914 0.028 0.000 2.599 161 V HA 0.495 4.615 4.120 -0.000 0.000 0.300 161 V C 1.682 177.790 176.094 0.024 0.000 1.034 161 V CA 1.959 64.277 62.300 0.029 0.000 1.115 161 V CB 0.136 31.981 31.823 0.037 0.000 0.934 161 V HN 1.979 nan 8.190 nan 0.000 0.485 162 G N 3.114 111.923 108.800 0.015 0.000 2.213 162 G HA2 0.001 3.961 3.960 -0.000 0.000 0.236 162 G HA3 0.001 3.961 3.960 -0.000 0.000 0.236 162 G C 1.004 175.870 174.900 -0.057 0.000 0.991 162 G CA 0.284 45.380 45.100 -0.006 0.000 0.629 162 G HN 2.137 nan 8.290 nan 0.000 0.517 163 G N 0.135 108.908 108.800 -0.045 0.000 2.594 163 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.297 163 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.297 163 G C 1.158 175.970 174.900 -0.147 0.000 1.273 163 G CA 1.186 46.245 45.100 -0.068 0.000 0.974 163 G HN 1.081 nan 8.290 nan 0.000 0.552 164 M N 1.618 121.089 119.600 -0.215 0.000 2.549 164 M HA -0.013 4.467 4.480 -0.000 0.000 0.260 164 M C 2.642 178.590 176.300 -0.586 0.000 1.076 164 M CA 1.685 56.704 55.300 -0.468 0.000 1.090 164 M CB -0.220 32.214 32.600 -0.277 0.000 1.418 164 M HN 0.696 nan 8.290 nan 0.000 0.486 165 S N -0.943 114.463 115.700 -0.490 0.000 2.607 165 S HA -0.047 4.423 4.470 -0.000 0.000 0.224 165 S C 1.595 176.065 174.600 -0.217 0.000 0.969 165 S CA 1.008 58.814 58.200 -0.656 0.000 0.927 165 S CB -0.922 61.888 63.200 -0.649 0.000 0.772 165 S HN 0.558 nan 8.310 nan 0.000 0.533 166 T N -0.616 113.812 114.554 -0.211 0.000 3.113 166 T HA 0.047 4.397 4.350 -0.000 0.000 0.256 166 T C 1.323 175.886 174.700 -0.228 0.000 1.131 166 T CA 0.823 62.830 62.100 -0.155 0.000 1.074 166 T CB -0.688 68.167 68.868 -0.022 0.000 0.944 166 T HN 0.913 nan 8.240 nan 0.000 0.516 167 H N -1.922 117.078 119.070 -0.116 0.000 3.680 167 H HA 0.210 4.766 4.556 -0.000 0.000 0.260 167 H C 0.487 176.000 175.328 0.308 0.000 1.183 167 H CA -1.061 55.049 56.048 0.104 0.000 1.159 167 H CB -0.328 29.456 29.762 0.038 0.000 1.567 167 H HN 0.459 nan 8.280 nan 0.000 0.648 168 W N 2.757 124.060 121.300 0.006 0.000 2.079 168 W HA 0.301 4.961 4.660 -0.000 0.000 0.354 168 W C 0.003 176.641 176.519 0.199 0.000 1.302 168 W CA -0.105 57.328 57.345 0.146 0.000 1.281 168 W CB -0.102 29.361 29.460 0.005 0.000 1.165 168 W HN -0.174 nan 8.180 nan 0.000 0.603 169 T N 0.954 115.482 114.554 -0.044 0.000 3.088 169 T HA -0.018 4.332 4.350 -0.000 0.000 0.259 169 T C 1.033 175.337 174.700 -0.660 0.000 1.122 169 T CA 1.180 63.090 62.100 -0.317 0.000 1.095 169 T CB -0.524 68.304 68.868 -0.068 0.000 0.930 169 T HN 0.671 nan 8.240 nan 0.000 0.508 170 C N 1.013 119.553 119.300 -1.266 0.000 4.552 170 C HA -0.097 4.363 4.460 -0.000 0.000 0.268 170 C C 1.081 175.620 174.990 -0.752 0.000 1.288 170 C CA -0.761 57.230 59.018 -1.712 0.000 1.776 170 C CB -2.746 24.457 27.740 -0.895 0.000 1.415 170 C HN 0.767 nan 8.230 nan 0.000 0.729 171 A N 1.025 123.599 122.820 -0.411 0.000 2.354 171 A HA 0.599 4.919 4.320 -0.000 0.000 0.281 171 A C 0.754 178.264 177.584 -0.125 0.000 1.174 171 A CA 1.003 52.930 52.037 -0.184 0.000 0.828 171 A CB 0.238 19.184 19.000 -0.090 0.000 1.099 171 A HN 1.389 nan 8.150 nan 0.000 0.516 172 T N 1.429 115.929 114.554 -0.090 0.000 3.504 172 T HA 0.506 4.856 4.350 -0.000 0.000 0.286 172 T C -2.713 171.948 174.700 -0.065 0.000 1.530 172 T CA -1.492 60.591 62.100 -0.028 0.000 1.652 172 T CB 0.475 69.368 68.868 0.041 0.000 0.895 172 T HN 0.437 nan 8.240 nan 0.000 0.674 173 P HA 0.383 nan 4.420 nan 0.000 0.276 173 P C -0.285 176.882 177.300 -0.221 0.000 1.244 173 P CA -0.607 62.408 63.100 -0.142 0.000 0.801 173 P CB 1.074 32.683 31.700 -0.153 0.000 1.006 174 R N 0.733 121.025 120.500 -0.347 0.000 2.500 174 R HA 0.442 4.782 4.340 -0.000 0.000 0.275 174 R C 0.021 176.232 176.300 -0.149 0.000 1.051 174 R CA -0.597 55.102 56.100 -0.669 0.000 1.088 174 R CB 0.224 29.962 30.300 -0.937 0.000 1.063 174 R HN 0.339 nan 8.270 nan 0.000 0.511 175 F N 2.273 122.018 119.950 -0.341 0.000 2.443 175 F HA 0.017 4.544 4.527 -0.000 0.000 0.353 175 F C 1.075 176.722 175.800 -0.255 0.000 1.101 175 F CA -1.237 56.593 58.000 -0.284 0.000 1.226 175 F CB 0.171 38.991 39.000 -0.300 0.000 1.140 175 F HN 0.563 nan 8.300 nan 0.000 0.557 176 D N 2.981 123.317 120.400 -0.108 0.000 2.398 176 D HA 0.097 4.737 4.640 -0.000 0.000 0.247 176 D C 1.055 177.271 176.300 -0.139 0.000 1.227 176 D CA -0.359 53.578 54.000 -0.104 0.000 0.980 176 D CB 0.576 41.327 40.800 -0.082 0.000 1.106 176 D HN 0.487 nan 8.370 nan 0.000 0.493 177 R N -0.048 120.396 120.500 -0.092 0.000 2.083 177 R HA -0.148 4.192 4.340 -0.000 0.000 0.237 177 R C 2.049 178.291 176.300 -0.097 0.000 1.137 177 R CA 1.582 57.631 56.100 -0.085 0.000 0.951 177 R CB -0.315 29.970 30.300 -0.025 0.000 0.851 177 R HN 0.634 nan 8.270 nan 0.000 0.434 178 E N 0.629 120.773 120.200 -0.094 0.000 2.187 178 E HA -0.269 4.081 4.350 -0.000 0.000 0.199 178 E C 1.848 178.340 176.600 -0.179 0.000 1.004 178 E CA 1.392 57.738 56.400 -0.091 0.000 0.813 178 E CB -0.060 29.614 29.700 -0.042 0.000 0.736 178 E HN 0.507 nan 8.360 nan 0.000 0.468 179 Q N -0.336 119.263 119.800 -0.335 0.000 2.384 179 Q HA 0.106 4.446 4.340 -0.000 0.000 0.207 179 Q C 0.645 176.554 176.000 -0.152 0.000 0.904 179 Q CA -0.082 55.457 55.803 -0.440 0.000 0.933 179 Q CB 0.565 28.717 28.738 -0.976 0.000 1.077 179 Q HN -0.012 nan 8.270 nan 0.000 0.522 180 R N 1.642 122.080 120.500 -0.102 0.000 2.474 180 R HA 0.297 4.637 4.340 -0.000 0.000 0.295 180 R C -2.580 173.694 176.300 -0.043 0.000 0.980 180 R CA -2.125 53.913 56.100 -0.103 0.000 0.934 180 R CB 0.974 31.019 30.300 -0.426 0.000 1.101 180 R HN -0.149 nan 8.270 nan 0.000 0.469 181 P HA 0.026 nan 4.420 nan 0.000 0.271 181 P C -0.727 176.734 177.300 0.269 0.000 1.218 181 P CA -0.038 63.146 63.100 0.141 0.000 0.780 181 P CB 0.531 32.332 31.700 0.169 0.000 0.901 182 L N 3.311 124.660 121.223 0.209 0.000 2.367 182 L HA 0.149 4.489 4.340 -0.000 0.000 0.275 182 L C 1.525 178.543 176.870 0.247 0.000 1.129 182 L CA -0.052 54.974 54.840 0.311 0.000 0.839 182 L CB 0.300 42.584 42.059 0.376 0.000 1.133 182 L HN 0.416 nan 8.230 nan 0.000 0.453 183 L N 3.656 125.055 121.223 0.294 0.000 2.388 183 L HA 0.180 4.520 4.340 -0.000 0.000 0.209 183 L C 0.064 177.108 176.870 0.289 0.000 1.061 183 L CA 0.314 55.218 54.840 0.106 0.000 0.834 183 L CB 0.572 42.482 42.059 -0.248 0.000 1.029 183 L HN 0.317 nan 8.230 nan 0.000 0.473 184 V N 1.296 121.363 119.914 0.254 0.000 2.459 184 V HA 0.197 4.317 4.120 -0.000 0.000 0.295 184 V C -0.394 175.784 176.094 0.140 0.000 1.029 184 V CA -0.911 61.496 62.300 0.178 0.000 0.874 184 V CB 1.629 33.502 31.823 0.084 0.000 0.985 184 V HN 0.221 nan 8.190 nan 0.000 0.438 185 K N 3.257 123.623 120.400 -0.058 0.000 2.234 185 K HA 0.449 4.769 4.320 -0.000 0.000 0.282 185 K C -0.315 176.242 176.600 -0.073 0.000 1.039 185 K CA -0.566 55.624 56.287 -0.161 0.000 0.928 185 K CB 0.581 32.760 32.500 -0.536 0.000 1.039 185 K HN 0.576 nan 8.250 nan 0.000 0.470 186 D N 1.435 121.823 120.400 -0.020 0.000 2.772 186 D HA -0.157 4.483 4.640 -0.000 0.000 0.233 186 D C -0.899 175.406 176.300 0.008 0.000 1.143 186 D CA 1.381 55.378 54.000 -0.004 0.000 0.700 186 D CB -0.664 40.120 40.800 -0.025 0.000 1.076 186 D HN 0.777 nan 8.370 nan 0.000 0.430 187 D N -1.248 119.169 120.400 0.028 0.000 2.584 187 D HA 0.387 5.027 4.640 -0.000 0.000 0.238 187 D C 0.975 177.309 176.300 0.056 0.000 1.302 187 D CA 0.192 54.211 54.000 0.033 0.000 0.884 187 D CB 0.345 41.158 40.800 0.022 0.000 1.456 187 D HN 0.016 nan 8.370 nan 0.000 0.528 188 A N 1.938 124.793 122.820 0.057 0.000 1.978 188 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 188 A C 1.669 179.299 177.584 0.077 0.000 1.170 188 A CA 1.421 53.501 52.037 0.073 0.000 0.636 188 A CB 0.048 19.083 19.000 0.059 0.000 0.810 188 A HN 0.393 nan 8.150 nan 0.000 0.448 189 D N -0.118 120.318 120.400 0.059 0.000 2.103 189 D HA 0.024 4.664 4.640 -0.000 0.000 0.199 189 D C 2.311 178.647 176.300 0.060 0.000 0.978 189 D CA 1.498 55.532 54.000 0.056 0.000 0.829 189 D CB -0.500 40.325 40.800 0.041 0.000 0.981 189 D HN 0.389 nan 8.370 nan 0.000 0.464 190 A N 0.836 123.687 122.820 0.051 0.000 1.902 190 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 190 A C 1.952 179.571 177.584 0.058 0.000 1.181 190 A CA 2.095 54.157 52.037 0.041 0.000 0.623 190 A CB -0.675 18.343 19.000 0.030 0.000 0.818 190 A HN 0.194 nan 8.150 nan 0.000 0.443 191 D N -0.273 120.183 120.400 0.093 0.000 2.084 191 D HA -0.174 4.466 4.640 -0.000 0.000 0.194 191 D C 1.381 177.817 176.300 0.226 0.000 0.990 191 D CA 1.647 55.742 54.000 0.158 0.000 0.826 191 D CB -0.184 40.740 40.800 0.207 0.000 0.971 191 D HN 0.331 nan 8.370 nan 0.000 0.453 192 D N -0.311 120.203 120.400 0.191 0.000 2.133 192 D HA -0.192 4.448 4.640 -0.000 0.000 0.192 192 D C 1.967 178.370 176.300 0.171 0.000 1.001 192 D CA 1.723 55.838 54.000 0.191 0.000 0.844 192 D CB -0.649 40.224 40.800 0.122 0.000 0.944 192 D HN 0.339 nan 8.370 nan 0.000 0.447 193 A N 0.417 123.299 122.820 0.104 0.000 1.902 193 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 193 A C 2.135 179.740 177.584 0.035 0.000 1.181 193 A CA 1.973 54.048 52.037 0.065 0.000 0.623 193 A CB -0.516 18.506 19.000 0.037 0.000 0.818 193 A HN 0.198 nan 8.150 nan 0.000 0.443 194 E N -0.900 119.299 120.200 -0.001 0.000 2.072 194 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 194 E C 1.674 178.169 176.600 -0.176 0.000 0.985 194 E CA 1.442 57.773 56.400 -0.115 0.000 0.801 194 E CB -0.489 29.110 29.700 -0.168 0.000 0.750 194 E HN 0.715 nan 8.360 nan 0.000 0.452 195 W N 0.699 121.946 121.300 -0.089 0.000 2.363 195 W HA -0.084 4.576 4.660 -0.000 0.000 0.296 195 W C 2.086 178.553 176.519 -0.087 0.000 1.212 195 W CA 1.354 58.590 57.345 -0.182 0.000 1.260 195 W CB -0.291 29.094 29.460 -0.126 0.000 1.131 195 W HN 0.266 nan 8.180 nan 0.000 0.530 196 D N -0.313 120.233 120.400 0.242 0.000 2.144 196 D HA -0.180 4.460 4.640 -0.000 0.000 0.200 196 D C 2.166 178.533 176.300 0.112 0.000 0.978 196 D CA 1.285 55.413 54.000 0.214 0.000 0.833 196 D CB -0.099 40.793 40.800 0.154 0.000 0.961 196 D HN -0.074 nan 8.370 nan 0.000 0.470 197 R N -0.223 120.294 120.500 0.028 0.000 2.080 197 R HA -0.115 4.225 4.340 -0.000 0.000 0.236 197 R C 2.417 178.672 176.300 -0.075 0.000 1.137 197 R CA 1.342 57.423 56.100 -0.033 0.000 0.943 197 R CB -0.346 29.914 30.300 -0.067 0.000 0.846 197 R HN 0.261 nan 8.270 nan 0.000 0.431 198 L N -0.593 120.546 121.223 -0.140 0.000 1.989 198 L HA -0.244 4.096 4.340 -0.000 0.000 0.211 198 L C 2.487 179.304 176.870 -0.089 0.000 1.071 198 L CA 1.456 56.169 54.840 -0.212 0.000 0.749 198 L CB -0.802 41.009 42.059 -0.413 0.000 0.890 198 L HN 0.251 nan 8.230 nan 0.000 0.431 199 Y N 0.484 120.793 120.300 0.015 0.000 2.165 199 Y HA -0.255 4.295 4.550 -0.000 0.000 0.286 199 Y C 2.908 178.791 175.900 -0.028 0.000 1.155 199 Y CA 1.558 59.673 58.100 0.025 0.000 1.164 199 Y CB -1.341 37.169 38.460 0.083 0.000 0.978 199 Y HN 0.182 nan 8.280 nan 0.000 0.513 200 T N -0.454 114.171 114.554 0.119 0.000 2.708 200 T HA -0.199 4.151 4.350 -0.000 0.000 0.266 200 T C 1.994 176.656 174.700 -0.063 0.000 1.037 200 T CA 1.625 63.745 62.100 0.033 0.000 1.146 200 T CB -0.204 68.677 68.868 0.022 0.000 0.865 200 T HN 0.198 nan 8.240 nan 0.000 0.435 201 K N 0.781 121.086 120.400 -0.157 0.000 2.044 201 K HA -0.098 4.222 4.320 -0.000 0.000 0.210 201 K C 2.446 178.709 176.600 -0.563 0.000 1.049 201 K CA 1.399 57.455 56.287 -0.386 0.000 0.927 201 K CB -0.286 31.948 32.500 -0.443 0.000 0.713 201 K HN 0.298 nan 8.250 nan 0.000 0.443 202 A N 0.797 123.425 122.820 -0.320 0.000 1.929 202 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 202 A C 1.776 179.369 177.584 0.016 0.000 1.176 202 A CA 1.434 53.349 52.037 -0.204 0.000 0.628 202 A CB -0.330 18.659 19.000 -0.018 0.000 0.816 202 A HN 0.380 nan 8.150 nan 0.000 0.444 203 E N 0.335 120.580 120.200 0.074 0.000 2.106 203 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 203 E C 2.371 179.055 176.600 0.140 0.000 0.984 203 E CA 1.436 57.926 56.400 0.149 0.000 0.806 203 E CB -0.152 29.605 29.700 0.095 0.000 0.750 203 E HN 0.806 nan 8.360 nan 0.000 0.458 204 S N 0.188 115.921 115.700 0.054 0.000 2.371 204 S HA -0.166 4.304 4.470 -0.000 0.000 0.224 204 S C 1.933 176.656 174.600 0.205 0.000 1.029 204 S CA 0.577 58.830 58.200 0.088 0.000 0.978 204 S CB -0.530 62.688 63.200 0.029 0.000 0.833 204 S HN 0.183 nan 8.310 nan 0.000 0.466 205 Y N 0.950 121.255 120.300 0.008 0.000 2.102 205 Y HA -0.042 4.508 4.550 -0.000 0.000 0.280 205 Y C 2.101 178.022 175.900 0.035 0.000 1.178 205 Y CA 0.336 58.407 58.100 -0.048 0.000 1.146 205 Y CB -1.176 37.170 38.460 -0.189 0.000 0.968 205 Y HN 0.313 nan 8.280 nan 0.000 0.504 206 F N -0.039 120.062 119.950 0.252 0.000 2.789 206 F HA 0.073 4.600 4.527 -0.000 0.000 0.300 206 F C 0.797 176.707 175.800 0.183 0.000 1.132 206 F CA 0.055 58.197 58.000 0.236 0.000 1.404 206 F CB -0.259 38.907 39.000 0.277 0.000 1.114 206 F HN -0.008 nan 8.300 nan 0.000 0.584 207 Q N 0.407 120.403 119.800 0.327 0.000 2.468 207 Q HA -0.190 4.150 4.340 -0.000 0.000 0.289 207 Q C 0.055 176.148 176.000 0.155 0.000 1.299 207 Q CA 0.708 56.626 55.803 0.192 0.000 0.838 207 Q CB -2.650 26.174 28.738 0.144 0.000 1.195 207 Q HN 0.205 nan 8.270 nan 0.000 0.456 208 T N 0.137 114.801 114.554 0.183 0.000 2.867 208 T HA 0.400 4.750 4.350 -0.000 0.000 0.297 208 T C 0.775 175.511 174.700 0.059 0.000 0.989 208 T CA 0.683 62.851 62.100 0.113 0.000 1.159 208 T CB 1.078 70.021 68.868 0.125 0.000 0.928 208 T HN 0.470 nan 8.240 nan 0.000 0.538 209 G N 1.055 109.872 108.800 0.028 0.000 2.725 209 G HA2 0.563 4.523 3.960 -0.000 0.000 0.288 209 G HA3 0.563 4.523 3.960 -0.000 0.000 0.288 209 G C 0.117 175.027 174.900 0.018 0.000 1.399 209 G CA -0.758 44.350 45.100 0.014 0.000 0.859 209 G HN 0.586 nan 8.290 nan 0.000 0.479 210 T N -2.186 112.381 114.554 0.022 0.000 3.331 210 T HA 0.283 4.633 4.350 -0.000 0.000 0.282 210 T C 0.085 174.811 174.700 0.043 0.000 1.010 210 T CA 0.304 62.428 62.100 0.041 0.000 0.928 210 T CB 0.342 69.239 68.868 0.048 0.000 1.154 210 T HN 0.506 nan 8.240 nan 0.000 0.516 211 D N -0.022 120.384 120.400 0.009 0.000 2.520 211 D HA 0.041 4.681 4.640 -0.000 0.000 0.223 211 D C 1.258 177.504 176.300 -0.090 0.000 1.186 211 D CA -0.090 53.898 54.000 -0.020 0.000 0.821 211 D CB -0.188 40.594 40.800 -0.030 0.000 1.072 211 D HN 0.225 nan 8.370 nan 0.000 0.518 212 Q N -0.399 119.333 119.800 -0.113 0.000 2.500 212 Q HA 0.156 4.496 4.340 -0.000 0.000 0.213 212 Q C 0.078 175.690 176.000 -0.647 0.000 0.974 212 Q CA 0.816 56.411 55.803 -0.346 0.000 0.918 212 Q CB -0.365 28.123 28.738 -0.416 0.000 0.980 212 Q HN 0.316 nan 8.270 nan 0.000 0.505 213 F N -0.369 119.423 119.950 -0.263 0.000 2.775 213 F HA 0.221 4.748 4.527 -0.000 0.000 0.313 213 F C 1.243 176.877 175.800 -0.277 0.000 1.121 213 F CA -0.599 57.198 58.000 -0.339 0.000 1.206 213 F CB 0.436 39.112 39.000 -0.539 0.000 1.052 213 F HN -0.010 nan 8.300 nan 0.000 0.524 214 K N 0.427 120.756 120.400 -0.118 0.000 2.152 214 K HA -0.142 4.178 4.320 -0.000 0.000 0.206 214 K C 0.449 176.953 176.600 -0.160 0.000 1.048 214 K CA 1.722 57.978 56.287 -0.053 0.000 0.933 214 K CB -0.201 32.235 32.500 -0.106 0.000 0.721 214 K HN 0.345 nan 8.250 nan 0.000 0.447 215 E N 1.675 121.656 120.200 -0.366 0.000 2.609 215 E HA 0.073 4.423 4.350 -0.000 0.000 0.208 215 E C -0.892 175.551 176.600 -0.261 0.000 1.013 215 E CA -0.279 55.630 56.400 -0.818 0.000 1.093 215 E CB 1.019 30.059 29.700 -1.100 0.000 1.129 215 E HN 0.178 nan 8.360 nan 0.000 0.450 216 S N 0.877 116.613 115.700 0.059 0.000 2.465 216 S HA 0.206 4.676 4.470 -0.000 0.000 0.279 216 S C 1.310 176.069 174.600 0.266 0.000 1.201 216 S CA -0.491 57.817 58.200 0.181 0.000 1.053 216 S CB 0.378 63.729 63.200 0.253 0.000 0.953 216 S HN 0.266 nan 8.310 nan 0.000 0.488 217 I N 4.962 125.569 120.570 0.062 0.000 2.118 217 I HA -0.252 3.918 4.170 -0.000 0.000 0.241 217 I C 2.745 178.688 176.117 -0.290 0.000 1.070 217 I CA 1.512 62.528 61.300 -0.473 0.000 1.327 217 I CB -0.244 37.282 38.000 -0.790 0.000 1.034 217 I HN 0.707 nan 8.210 nan 0.000 0.405 218 R N -0.657 119.768 120.500 -0.125 0.000 2.081 218 R HA -0.228 4.112 4.340 -0.000 0.000 0.235 218 R C 2.384 178.713 176.300 0.047 0.000 1.131 218 R CA 1.721 57.789 56.100 -0.052 0.000 0.960 218 R CB -0.613 29.674 30.300 -0.022 0.000 0.856 218 R HN 0.453 nan 8.270 nan 0.000 0.436 219 H N 1.140 120.231 119.070 0.034 0.000 2.319 219 H HA -0.060 4.496 4.556 -0.000 0.000 0.299 219 H C 1.775 177.167 175.328 0.106 0.000 1.092 219 H CA 1.878 57.964 56.048 0.064 0.000 1.302 219 H CB -0.124 29.714 29.762 0.126 0.000 1.373 219 H HN 0.104 nan 8.280 nan 0.000 0.497 220 N N 0.092 118.861 118.700 0.116 0.000 2.188 220 N HA -0.127 4.613 4.740 -0.000 0.000 0.184 220 N C 2.103 177.723 175.510 0.184 0.000 1.018 220 N CA 1.063 54.215 53.050 0.170 0.000 0.858 220 N CB -0.333 38.466 38.487 0.519 0.000 0.989 220 N HN 0.336 nan 8.380 nan 0.000 0.426 221 L N 1.277 122.618 121.223 0.198 0.000 1.990 221 L HA -0.148 4.192 4.340 -0.000 0.000 0.213 221 L C 2.147 179.057 176.870 0.066 0.000 1.072 221 L CA 1.452 56.411 54.840 0.198 0.000 0.755 221 L CB -0.599 41.526 42.059 0.112 0.000 0.889 221 L HN -0.116 nan 8.230 nan 0.000 0.432 222 V N -0.633 119.278 119.914 -0.005 0.000 2.307 222 V HA -0.254 3.865 4.120 -0.000 0.000 0.245 222 V C 2.447 178.463 176.094 -0.131 0.000 1.045 222 V CA 1.716 63.981 62.300 -0.058 0.000 1.024 222 V CB -0.694 31.075 31.823 -0.089 0.000 0.651 222 V HN 0.550 nan 8.190 nan 0.000 0.449 223 L N 0.934 122.044 121.223 -0.188 0.000 2.042 223 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 223 L C 2.130 178.921 176.870 -0.131 0.000 1.076 223 L CA 2.081 56.796 54.840 -0.209 0.000 0.749 223 L CB -0.892 40.987 42.059 -0.299 0.000 0.893 223 L HN 0.312 nan 8.230 nan 0.000 0.432 224 N N -0.196 118.473 118.700 -0.050 0.000 2.216 224 N HA -0.170 4.570 4.740 -0.000 0.000 0.183 224 N C 1.803 177.290 175.510 -0.038 0.000 1.017 224 N CA 1.171 54.215 53.050 -0.011 0.000 0.861 224 N CB -0.249 38.264 38.487 0.043 0.000 0.986 224 N HN 0.304 nan 8.380 nan 0.000 0.428 225 K N 1.460 121.834 120.400 -0.043 0.000 2.057 225 K HA 0.064 4.384 4.320 -0.000 0.000 0.207 225 K C 1.897 178.446 176.600 -0.086 0.000 1.049 225 K CA 0.912 57.173 56.287 -0.043 0.000 0.931 225 K CB -0.428 32.063 32.500 -0.014 0.000 0.714 225 K HN 0.107 nan 8.250 nan 0.000 0.440 226 L N 0.097 121.206 121.223 -0.190 0.000 2.056 226 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 226 L C 2.226 178.925 176.870 -0.285 0.000 1.078 226 L CA 1.614 56.239 54.840 -0.358 0.000 0.749 226 L CB -0.772 40.691 42.059 -0.994 0.000 0.901 226 L HN 0.266 nan 8.230 nan 0.000 0.433 227 T N -0.679 113.748 114.554 -0.211 0.000 2.635 227 T HA -0.289 4.061 4.350 -0.000 0.000 0.267 227 T C 1.762 176.509 174.700 0.079 0.000 1.040 227 T CA 1.863 63.993 62.100 0.050 0.000 1.156 227 T CB -0.162 68.746 68.868 0.067 0.000 0.863 227 T HN 0.385 nan 8.240 nan 0.000 0.430 228 E N 0.495 120.702 120.200 0.012 0.000 2.038 228 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 228 E C 2.240 178.827 176.600 -0.022 0.000 1.000 228 E CA 1.093 57.492 56.400 -0.001 0.000 0.803 228 E CB 0.015 29.700 29.700 -0.024 0.000 0.750 228 E HN 0.323 nan 8.360 nan 0.000 0.448 229 E N -0.496 119.664 120.200 -0.067 0.000 2.204 229 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 229 E C 1.020 177.423 176.600 -0.328 0.000 0.989 229 E CA 0.900 57.181 56.400 -0.198 0.000 0.824 229 E CB 0.014 29.561 29.700 -0.254 0.000 0.756 229 E HN 0.481 nan 8.360 nan 0.000 0.477 230 Y N 0.292 120.628 120.300 0.061 0.000 2.555 230 Y HA 0.163 4.713 4.550 -0.000 0.000 0.259 230 Y C 0.654 176.620 175.900 0.110 0.000 1.179 230 Y CA -0.369 57.809 58.100 0.129 0.000 1.230 230 Y CB 0.468 39.111 38.460 0.305 0.000 1.146 230 Y HN -0.315 nan 8.280 nan 0.000 0.526 231 K N 1.079 121.564 120.400 0.140 0.000 2.440 231 K HA 0.003 4.323 4.320 -0.000 0.000 0.275 231 K C 1.045 177.705 176.600 0.100 0.000 1.082 231 K CA 1.362 57.714 56.287 0.109 0.000 1.135 231 K CB -0.262 32.270 32.500 0.054 0.000 0.864 231 K HN 0.692 nan 8.250 nan 0.000 0.479 232 G N 3.395 112.261 108.800 0.110 0.000 2.141 232 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.242 232 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.242 232 G C 0.490 175.452 174.900 0.103 0.000 0.982 232 G CA 0.594 45.747 45.100 0.089 0.000 0.662 232 G HN 0.724 nan 8.290 nan 0.000 0.527 233 Q N -1.516 118.373 119.800 0.148 0.000 2.445 233 Q HA 0.268 4.608 4.340 -0.000 0.000 0.257 233 Q C 1.017 177.103 176.000 0.144 0.000 0.806 233 Q CA 0.195 56.091 55.803 0.156 0.000 0.987 233 Q CB 1.035 29.897 28.738 0.206 0.000 1.248 233 Q HN 0.552 nan 8.270 nan 0.000 0.542 234 R N 0.287 120.878 120.500 0.151 0.000 2.707 234 R HA 0.434 4.774 4.340 -0.000 0.000 0.272 234 R C -1.728 174.594 176.300 0.037 0.000 1.011 234 R CA -0.837 55.262 56.100 -0.002 0.000 0.893 234 R CB 1.480 31.551 30.300 -0.382 0.000 1.233 234 R HN -0.124 nan 8.270 nan 0.000 0.464 235 D N 1.222 121.575 120.400 -0.078 0.000 2.192 235 D HA 0.422 5.062 4.640 -0.000 0.000 0.246 235 D C -0.842 175.333 176.300 -0.207 0.000 1.042 235 D CA -0.017 53.976 54.000 -0.012 0.000 0.847 235 D CB 1.294 42.100 40.800 0.011 0.000 1.186 235 D HN 0.146 nan 8.370 nan 0.000 0.461 236 F N 0.841 120.796 119.950 0.009 0.000 2.538 236 F HA 0.442 4.969 4.527 -0.000 0.000 0.325 236 F C 0.665 176.476 175.800 0.018 0.000 1.066 236 F CA -0.518 57.478 58.000 -0.007 0.000 0.946 236 F CB 1.799 40.791 39.000 -0.014 0.000 1.199 236 F HN 0.247 nan 8.300 nan 0.000 0.473 237 Q N -0.307 119.613 119.800 0.201 0.000 2.832 237 Q HA 0.309 4.649 4.340 -0.000 0.000 0.322 237 Q C -1.746 174.366 176.000 0.186 0.000 0.842 237 Q CA -1.248 54.651 55.803 0.160 0.000 0.780 237 Q CB 1.528 30.327 28.738 0.102 0.000 1.411 237 Q HN 0.589 nan 8.270 nan 0.000 0.490 238 Q N 0.766 120.690 119.800 0.207 0.000 2.293 238 Q HA 0.349 4.689 4.340 -0.000 0.000 0.251 238 Q C -0.537 175.524 176.000 0.103 0.000 0.930 238 Q CA -0.431 55.503 55.803 0.219 0.000 0.893 238 Q CB 0.728 29.568 28.738 0.171 0.000 1.215 238 Q HN 0.604 nan 8.270 nan 0.000 0.425 239 I N 5.754 126.357 120.570 0.055 0.000 2.752 239 I HA -0.053 4.117 4.170 -0.000 0.000 0.289 239 I C -1.996 174.134 176.117 0.022 0.000 1.197 239 I CA -1.345 59.967 61.300 0.021 0.000 1.432 239 I CB 0.300 38.277 38.000 -0.038 0.000 1.359 239 I HN 0.416 nan 8.210 nan 0.000 0.571 240 P HA 0.223 nan 4.420 nan 0.000 0.271 240 P C -0.944 176.350 177.300 -0.010 0.000 1.226 240 P CA 0.168 63.272 63.100 0.007 0.000 0.765 240 P CB 0.506 32.199 31.700 -0.011 0.000 0.835 241 L N 2.493 123.719 121.223 0.004 0.000 2.365 241 L HA 0.646 4.986 4.340 -0.000 0.000 0.273 241 L C 0.284 177.140 176.870 -0.023 0.000 1.000 241 L CA -1.154 53.681 54.840 -0.008 0.000 0.819 241 L CB 2.044 44.156 42.059 0.087 0.000 1.284 241 L HN 0.250 nan 8.230 nan 0.000 0.418 242 A N 3.123 125.889 122.820 -0.089 0.000 2.539 242 A HA 0.759 5.079 4.320 -0.000 0.000 0.306 242 A C -0.022 177.561 177.584 -0.003 0.000 1.392 242 A CA 0.099 52.122 52.037 -0.024 0.000 1.060 242 A CB -0.269 18.668 19.000 -0.106 0.000 1.134 242 A HN 0.816 nan 8.150 nan 0.000 0.542 243 A N 2.180 124.975 122.820 -0.043 0.000 2.585 243 A HA 0.672 4.992 4.320 -0.000 0.000 0.299 243 A C -0.536 176.919 177.584 -0.214 0.000 1.047 243 A CA -0.463 51.441 52.037 -0.222 0.000 0.723 243 A CB 0.569 19.284 19.000 -0.475 0.000 1.275 243 A HN 0.769 nan 8.150 nan 0.000 0.408 244 T N 1.605 116.005 114.554 -0.256 0.000 2.840 244 T HA 0.504 4.854 4.350 -0.000 0.000 0.287 244 T C -0.055 174.489 174.700 -0.260 0.000 0.991 244 T CA -0.446 61.537 62.100 -0.194 0.000 0.964 244 T CB 1.214 70.029 68.868 -0.089 0.000 0.954 244 T HN 0.761 nan 8.240 nan 0.000 0.438 245 R N 2.564 122.897 120.500 -0.279 0.000 2.347 245 R HA 0.266 4.606 4.340 -0.000 0.000 0.304 245 R C 0.753 176.964 176.300 -0.149 0.000 1.072 245 R CA -0.422 55.504 56.100 -0.290 0.000 0.980 245 R CB 0.396 30.484 30.300 -0.353 0.000 0.986 245 R HN 0.385 nan 8.270 nan 0.000 0.448 246 R N 1.334 121.798 120.500 -0.059 0.000 2.146 246 R HA 0.114 4.454 4.340 -0.000 0.000 0.206 246 R C 0.471 176.763 176.300 -0.013 0.000 1.049 246 R CA 0.889 56.994 56.100 0.009 0.000 1.029 246 R CB 0.043 30.417 30.300 0.123 0.000 0.949 246 R HN 0.755 nan 8.270 nan 0.000 0.471 247 S N -1.246 114.452 115.700 -0.004 0.000 2.705 247 S HA 0.435 4.905 4.470 -0.000 0.000 0.280 247 S C -2.540 172.030 174.600 -0.051 0.000 1.174 247 S CA -1.128 57.063 58.200 -0.015 0.000 0.823 247 S CB 2.233 65.450 63.200 0.029 0.000 1.162 247 S HN -0.248 nan 8.310 nan 0.000 0.487 248 P HA 0.094 nan 4.420 nan 0.000 0.230 248 P C 0.891 178.173 177.300 -0.031 0.000 1.158 248 P CA 1.246 64.308 63.100 -0.063 0.000 0.769 248 P CB -0.124 31.556 31.700 -0.034 0.000 0.807 249 T N -6.465 108.104 114.554 0.025 0.000 3.040 249 T HA 0.262 4.612 4.350 -0.000 0.000 0.266 249 T C -0.130 174.648 174.700 0.130 0.000 1.005 249 T CA -0.239 61.903 62.100 0.069 0.000 0.906 249 T CB -0.361 68.564 68.868 0.096 0.000 1.082 249 T HN -0.109 nan 8.240 nan 0.000 0.531 250 F N 1.960 121.867 119.950 -0.072 0.000 2.536 250 F HA 0.663 5.190 4.527 -0.000 0.000 0.322 250 F C -1.361 174.332 175.800 -0.178 0.000 1.144 250 F CA -1.250 56.703 58.000 -0.077 0.000 0.924 250 F CB 1.812 40.782 39.000 -0.050 0.000 1.181 250 F HN -0.158 nan 8.300 nan 0.000 0.438 251 V N 5.183 124.674 119.914 -0.705 0.000 2.483 251 V HA 0.290 4.410 4.120 -0.000 0.000 0.295 251 V C -0.313 175.171 176.094 -1.017 0.000 1.035 251 V CA -0.795 61.010 62.300 -0.824 0.000 0.896 251 V CB 1.695 32.859 31.823 -1.099 0.000 0.986 251 V HN 0.726 nan 8.190 nan 0.000 0.447 252 E N 3.948 123.818 120.200 -0.550 0.000 2.014 252 E HA 0.190 4.540 4.350 -0.000 0.000 0.275 252 E C -1.195 175.190 176.600 -0.359 0.000 0.997 252 E CA -0.550 55.691 56.400 -0.265 0.000 0.804 252 E CB 0.477 30.203 29.700 0.043 0.000 1.090 252 E HN 0.628 nan 8.360 nan 0.000 0.401 253 W N 2.500 123.677 121.300 -0.206 0.000 2.190 253 W HA 0.125 4.785 4.660 0.000 0.000 0.330 253 W C 0.825 177.345 176.519 0.001 0.000 1.299 253 W CA -0.394 56.803 57.345 -0.246 0.000 1.215 253 W CB 0.914 29.968 29.460 -0.678 0.000 1.147 253 W HN 0.316 nan 8.180 nan 0.000 0.563 254 S N 1.219 117.101 115.700 0.304 0.000 2.661 254 S HA 0.668 5.138 4.470 -0.000 0.000 0.265 254 S C 0.002 175.027 174.600 0.708 0.000 1.225 254 S CA -0.400 58.058 58.200 0.431 0.000 0.986 254 S CB 1.172 64.621 63.200 0.416 0.000 1.008 254 S HN 0.518 nan 8.310 nan 0.000 0.565 255 S N -1.118 114.970 115.700 0.647 0.000 2.656 255 S HA 0.571 5.041 4.470 -0.000 0.000 0.265 255 S C 0.509 175.326 174.600 0.362 0.000 1.110 255 S CA -0.283 58.218 58.200 0.501 0.000 0.821 255 S CB 0.421 63.846 63.200 0.374 0.000 1.099 255 S HN 0.822 nan 8.310 nan 0.000 0.471 256 A N 1.671 124.593 122.820 0.170 0.000 1.958 256 A HA -0.208 4.112 4.320 -0.000 0.000 0.221 256 A C 2.042 179.680 177.584 0.090 0.000 1.178 256 A CA 2.243 54.336 52.037 0.094 0.000 0.642 256 A CB -1.489 17.526 19.000 0.026 0.000 0.816 256 A HN 0.880 nan 8.150 nan 0.000 0.453 257 N N -0.532 118.230 118.700 0.104 0.000 2.069 257 N HA -0.172 4.568 4.740 -0.000 0.000 0.191 257 N C 1.643 177.183 175.510 0.049 0.000 1.031 257 N CA 2.227 55.311 53.050 0.056 0.000 0.852 257 N CB -0.359 38.174 38.487 0.078 0.000 1.018 257 N HN 0.454 nan 8.380 nan 0.000 0.423 258 T N 0.843 115.477 114.554 0.133 0.000 2.685 258 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 258 T C 2.035 176.773 174.700 0.063 0.000 1.034 258 T CA 1.499 63.681 62.100 0.138 0.000 1.149 258 T CB -0.335 68.700 68.868 0.279 0.000 0.860 258 T HN 0.092 nan 8.240 nan 0.000 0.449 259 V N -0.689 119.245 119.914 0.034 0.000 2.453 259 V HA 0.182 4.302 4.120 -0.000 0.000 0.247 259 V C 0.466 176.510 176.094 -0.084 0.000 1.048 259 V CA 0.918 63.147 62.300 -0.118 0.000 1.049 259 V CB -0.405 31.306 31.823 -0.186 0.000 0.672 259 V HN 0.514 nan 8.190 nan 0.000 0.457 260 F N 0.775 120.597 119.950 -0.213 0.000 2.639 260 F HA 0.349 4.876 4.527 -0.000 0.000 0.320 260 F C -0.039 175.640 175.800 -0.202 0.000 1.128 260 F CA -1.399 56.446 58.000 -0.258 0.000 1.037 260 F CB 1.262 40.055 39.000 -0.345 0.000 1.288 260 F HN 0.118 nan 8.300 nan 0.000 0.463 261 D N 5.202 125.095 120.400 -0.845 0.000 2.349 261 D HA 0.022 4.662 4.640 -0.000 0.000 0.224 261 D C 1.239 177.236 176.300 -0.505 0.000 1.029 261 D CA 1.016 54.702 54.000 -0.524 0.000 0.879 261 D CB 0.053 40.604 40.800 -0.416 0.000 0.906 261 D HN 0.715 nan 8.370 nan 0.000 0.528 262 L N -2.006 118.735 121.223 -0.805 0.000 5.051 262 L HA -0.240 4.100 4.340 -0.000 0.000 0.432 262 L C -0.240 176.611 176.870 -0.033 0.000 1.055 262 L CA 0.615 55.306 54.840 -0.248 0.000 1.095 262 L CB -1.351 40.705 42.059 -0.006 0.000 1.957 262 L HN 0.216 nan 8.230 nan 0.000 0.727 263 Q N 1.391 121.064 119.800 -0.211 0.000 2.297 263 Q HA 0.194 4.534 4.340 -0.000 0.000 0.267 263 Q C 0.351 176.415 176.000 0.107 0.000 1.006 263 Q CA 0.055 55.823 55.803 -0.058 0.000 0.896 263 Q CB 0.538 29.203 28.738 -0.121 0.000 1.186 263 Q HN 0.136 nan 8.270 nan 0.000 0.392 264 N N 2.383 121.156 118.700 0.121 0.000 2.356 264 N HA -0.019 4.721 4.740 -0.000 0.000 0.252 264 N C -0.260 175.319 175.510 0.115 0.000 1.241 264 N CA 0.600 53.719 53.050 0.115 0.000 0.861 264 N CB 0.497 38.946 38.487 -0.063 0.000 1.075 264 N HN 0.268 nan 8.380 nan 0.000 0.461 265 R N 1.730 122.326 120.500 0.160 0.000 2.750 265 R HA 0.473 4.813 4.340 -0.000 0.000 0.281 265 R C -2.493 173.861 176.300 0.091 0.000 0.972 265 R CA -1.649 54.530 56.100 0.132 0.000 0.912 265 R CB 1.448 31.861 30.300 0.187 0.000 1.187 265 R HN 0.321 nan 8.270 nan 0.000 0.464 266 P HA 0.012 nan 4.420 nan 0.000 0.266 266 P C -1.180 176.172 177.300 0.086 0.000 1.195 266 P CA 0.068 63.252 63.100 0.140 0.000 0.768 266 P CB 0.536 32.359 31.700 0.206 0.000 0.838 267 N N -0.562 118.179 118.700 0.069 0.000 2.697 267 N HA 0.261 5.001 4.740 -0.000 0.000 0.272 267 N C 0.494 176.020 175.510 0.027 0.000 1.381 267 N CA -0.800 52.271 53.050 0.036 0.000 0.797 267 N CB -0.378 38.118 38.487 0.015 0.000 1.523 267 N HN 0.053 nan 8.380 nan 0.000 0.518 268 T N -0.650 113.911 114.554 0.012 0.000 2.665 268 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 268 T C 0.477 175.178 174.700 0.002 0.000 1.035 268 T CA 1.932 64.035 62.100 0.005 0.000 1.151 268 T CB -0.494 68.374 68.868 -0.001 0.000 0.862 268 T HN 0.551 nan 8.240 nan 0.000 0.438 269 D N 1.540 121.938 120.400 -0.005 0.000 2.178 269 D HA 0.101 4.741 4.640 -0.000 0.000 0.201 269 D C 0.877 177.177 176.300 -0.000 0.000 0.980 269 D CA 1.012 55.006 54.000 -0.010 0.000 0.842 269 D CB -0.076 40.708 40.800 -0.026 0.000 0.948 269 D HN 0.492 nan 8.370 nan 0.000 0.472 270 A N 0.138 122.967 122.820 0.014 0.000 3.127 270 A HA 0.383 4.703 4.320 -0.000 0.000 0.319 270 A C -2.092 175.532 177.584 0.066 0.000 1.104 270 A CA -0.908 51.151 52.037 0.037 0.000 0.802 270 A CB 0.992 20.018 19.000 0.043 0.000 1.193 270 A HN -0.127 nan 8.150 nan 0.000 0.479 271 P HA -0.010 nan 4.420 nan 0.000 0.236 271 P C 0.633 178.000 177.300 0.111 0.000 1.177 271 P CA 0.912 64.050 63.100 0.064 0.000 0.773 271 P CB 0.481 32.188 31.700 0.011 0.000 0.878 272 E N -0.080 120.191 120.200 0.118 0.000 2.474 272 E HA 0.093 4.443 4.350 -0.000 0.000 0.195 272 E C 0.269 177.120 176.600 0.419 0.000 1.039 272 E CA 0.232 56.747 56.400 0.191 0.000 0.881 272 E CB 0.478 30.216 29.700 0.063 0.000 0.970 272 E HN 0.510 nan 8.360 nan 0.000 0.486 273 E N 0.595 120.971 120.200 0.294 0.000 2.232 273 E HA 0.453 4.803 4.350 -0.000 0.000 0.265 273 E C -0.176 176.514 176.600 0.150 0.000 1.001 273 E CA -0.609 55.914 56.400 0.206 0.000 0.870 273 E CB 1.562 31.357 29.700 0.159 0.000 1.175 273 E HN -0.186 nan 8.360 nan 0.000 0.407 274 R N 1.599 122.152 120.500 0.088 0.000 2.545 274 R HA 0.315 4.655 4.340 -0.000 0.000 0.289 274 R C -1.709 174.681 176.300 0.150 0.000 1.327 274 R CA -0.391 55.724 56.100 0.025 0.000 1.040 274 R CB 0.663 30.866 30.300 -0.162 0.000 1.176 274 R HN 0.362 nan 8.270 nan 0.000 0.518 275 F N 1.986 121.929 119.950 -0.012 0.000 2.569 275 F HA 0.508 5.035 4.527 -0.000 0.000 0.312 275 F C -1.378 174.350 175.800 -0.120 0.000 1.109 275 F CA -0.773 57.206 58.000 -0.035 0.000 0.919 275 F CB 2.025 41.087 39.000 0.104 0.000 1.211 275 F HN 0.307 nan 8.300 nan 0.000 0.446 276 N N 4.479 122.495 118.700 -1.141 0.000 2.295 276 N HA 0.525 5.265 4.740 -0.000 0.000 0.293 276 N C -2.078 172.373 175.510 -1.765 0.000 1.040 276 N CA -0.623 51.668 53.050 -1.264 0.000 0.840 276 N CB 2.244 40.159 38.487 -0.954 0.000 1.468 276 N HN 0.560 nan 8.380 nan 0.000 0.478 277 L N 2.864 123.259 121.223 -1.380 0.000 2.282 277 L HA 0.622 4.962 4.340 -0.000 0.000 0.288 277 L C -1.648 174.662 176.870 -0.932 0.000 1.033 277 L CA -0.270 54.031 54.840 -0.899 0.000 0.807 277 L CB -0.003 41.884 42.059 -0.286 0.000 1.209 277 L HN 0.459 nan 8.230 nan 0.000 0.423 278 F N 6.880 126.564 119.950 -0.444 0.000 2.359 278 F HA 0.538 5.065 4.527 -0.000 0.000 0.369 278 F C -2.075 173.680 175.800 -0.075 0.000 1.084 278 F CA -1.986 55.865 58.000 -0.248 0.000 1.096 278 F CB 0.715 39.554 39.000 -0.269 0.000 1.335 278 F HN 0.417 nan 8.300 nan 0.000 0.457 279 P HA 0.333 nan 4.420 nan 0.000 0.278 279 P C -0.003 177.360 177.300 0.105 0.000 1.266 279 P CA -0.258 62.889 63.100 0.078 0.000 0.807 279 P CB 1.315 33.038 31.700 0.038 0.000 1.094 280 A N -1.120 121.746 122.820 0.076 0.000 2.869 280 A HA -0.073 4.247 4.320 -0.000 0.000 0.280 280 A C -0.147 177.476 177.584 0.065 0.000 1.458 280 A CA 0.708 52.783 52.037 0.063 0.000 0.776 280 A CB -2.397 16.639 19.000 0.059 0.000 1.028 280 A HN 0.264 nan 8.150 nan 0.000 0.547 281 V N -0.399 119.567 119.914 0.087 0.000 2.483 281 V HA 0.695 4.815 4.120 -0.000 0.000 0.297 281 V C 0.540 176.644 176.094 0.017 0.000 1.027 281 V CA -0.330 62.018 62.300 0.080 0.000 0.855 281 V CB 1.698 33.650 31.823 0.215 0.000 0.995 281 V HN 1.526 nan 8.190 nan 0.000 0.424 282 A N 4.154 126.967 122.820 -0.011 0.000 2.302 282 A HA 0.502 4.822 4.320 -0.000 0.000 0.295 282 A C 0.098 177.658 177.584 -0.040 0.000 1.235 282 A CA -0.191 51.822 52.037 -0.040 0.000 0.876 282 A CB -0.062 18.967 19.000 0.049 0.000 1.133 282 A HN 0.879 nan 8.150 nan 0.000 0.533 283 C N 2.575 121.821 119.300 -0.091 0.000 2.435 283 C HA 0.424 4.884 4.460 -0.000 0.000 0.375 283 C C 1.303 176.248 174.990 -0.075 0.000 1.281 283 C CA -0.336 58.615 59.018 -0.112 0.000 1.963 283 C CB -0.137 27.526 27.740 -0.129 0.000 2.490 283 C HN 0.990 nan 8.230 nan 0.000 0.557 284 E N 0.905 121.076 120.200 -0.048 0.000 2.399 284 E HA 0.145 4.495 4.350 -0.000 0.000 0.206 284 E C -0.022 176.553 176.600 -0.042 0.000 0.812 284 E CA 0.161 56.539 56.400 -0.036 0.000 1.138 284 E CB 0.523 30.214 29.700 -0.014 0.000 1.140 284 E HN 0.658 nan 8.360 nan 0.000 0.536 285 R N 0.896 121.387 120.500 -0.016 0.000 2.643 285 R HA 0.382 4.722 4.340 -0.000 0.000 0.269 285 R C -0.963 175.334 176.300 -0.005 0.000 1.037 285 R CA -0.675 55.415 56.100 -0.017 0.000 0.894 285 R CB 2.399 32.684 30.300 -0.025 0.000 1.238 285 R HN -0.093 nan 8.270 nan 0.000 0.459 286 V N -0.604 119.283 119.914 -0.044 0.000 2.427 286 V HA 0.532 4.652 4.120 -0.000 0.000 0.286 286 V C 0.180 176.255 176.094 -0.033 0.000 1.034 286 V CA -0.880 61.355 62.300 -0.108 0.000 0.893 286 V CB 1.598 33.291 31.823 -0.217 0.000 0.982 286 V HN 0.433 nan 8.190 nan 0.000 0.452 287 V N 5.506 125.406 119.914 -0.023 0.000 2.461 287 V HA 0.397 4.517 4.120 -0.000 0.000 0.275 287 V C 0.697 176.802 176.094 0.018 0.000 1.047 287 V CA -0.330 61.988 62.300 0.030 0.000 0.955 287 V CB 0.734 32.621 31.823 0.108 0.000 0.988 287 V HN 0.909 nan 8.190 nan 0.000 0.471 288 R N 3.957 124.483 120.500 0.043 0.000 2.297 288 R HA 0.277 4.617 4.340 -0.000 0.000 0.308 288 R C 0.469 176.825 176.300 0.093 0.000 1.029 288 R CA -0.561 55.618 56.100 0.131 0.000 0.929 288 R CB 0.771 31.118 30.300 0.079 0.000 1.046 288 R HN 0.907 nan 8.270 nan 0.000 0.461 289 N N 2.161 120.927 118.700 0.110 0.000 2.229 289 N HA -0.073 4.667 4.740 -0.000 0.000 0.242 289 N C 0.514 176.029 175.510 0.009 0.000 1.327 289 N CA 0.479 53.555 53.050 0.043 0.000 0.896 289 N CB 0.295 38.797 38.487 0.026 0.000 1.129 289 N HN 0.517 nan 8.380 nan 0.000 0.490 290 A N -0.734 122.080 122.820 -0.010 0.000 1.975 290 A HA 0.141 4.461 4.320 -0.000 0.000 0.215 290 A C 1.921 179.482 177.584 -0.038 0.000 1.170 290 A CA 0.541 52.567 52.037 -0.019 0.000 0.656 290 A CB -0.518 18.474 19.000 -0.014 0.000 0.821 290 A HN 0.541 nan 8.150 nan 0.000 0.449 291 L N 0.401 121.589 121.223 -0.058 0.000 2.783 291 L HA 0.149 4.489 4.340 -0.000 0.000 0.236 291 L C -0.159 176.619 176.870 -0.153 0.000 1.225 291 L CA -0.329 54.462 54.840 -0.082 0.000 1.026 291 L CB -0.449 41.567 42.059 -0.072 0.000 1.314 291 L HN 0.272 nan 8.230 nan 0.000 0.489 292 N N 0.435 119.038 118.700 -0.162 0.000 2.701 292 N HA -0.223 4.517 4.740 -0.000 0.000 0.252 292 N C 1.014 175.928 175.510 -0.993 0.000 1.002 292 N CA 1.201 54.056 53.050 -0.325 0.000 0.758 292 N CB -0.771 37.659 38.487 -0.096 0.000 0.937 292 N HN 0.615 nan 8.380 nan 0.000 0.538 293 S N -2.529 112.724 115.700 -0.745 0.000 2.632 293 S HA 0.291 4.761 4.470 -0.000 0.000 0.237 293 S C 0.320 174.631 174.600 -0.482 0.000 1.037 293 S CA -0.351 57.434 58.200 -0.693 0.000 1.009 293 S CB 1.541 64.570 63.200 -0.284 0.000 0.974 293 S HN 0.364 nan 8.310 nan 0.000 0.544 294 E N 0.069 120.095 120.200 -0.290 0.000 2.413 294 E HA 0.502 4.852 4.350 -0.000 0.000 0.277 294 E C -1.730 175.073 176.600 0.338 0.000 0.958 294 E CA -0.906 55.563 56.400 0.116 0.000 0.779 294 E CB 1.427 31.186 29.700 0.098 0.000 1.278 294 E HN 0.069 nan 8.360 nan 0.000 0.456 295 I N 3.420 124.176 120.570 0.309 0.000 2.315 295 I HA 0.114 4.284 4.170 -0.000 0.000 0.291 295 I C 1.004 177.132 176.117 0.020 0.000 1.006 295 I CA -0.046 61.297 61.300 0.071 0.000 1.265 295 I CB 1.160 39.002 38.000 -0.262 0.000 1.387 295 I HN 0.627 nan 8.210 nan 0.000 0.475 296 E N 3.688 123.890 120.200 0.003 0.000 2.107 296 E HA -0.017 4.333 4.350 -0.000 0.000 0.191 296 E C 0.530 177.169 176.600 0.065 0.000 0.982 296 E CA 0.611 57.046 56.400 0.059 0.000 0.809 296 E CB 0.193 29.926 29.700 0.056 0.000 0.756 296 E HN 0.736 nan 8.360 nan 0.000 0.459 297 S N -1.110 114.519 115.700 -0.119 0.000 2.645 297 S HA 0.399 4.869 4.470 -0.000 0.000 0.268 297 S C -1.638 172.829 174.600 -0.220 0.000 1.110 297 S CA -1.085 57.079 58.200 -0.060 0.000 0.823 297 S CB 0.742 63.902 63.200 -0.066 0.000 1.091 297 S HN 0.022 nan 8.310 nan 0.000 0.466 298 L N 2.269 123.438 121.223 -0.090 0.000 2.305 298 L HA 0.594 4.934 4.340 -0.000 0.000 0.284 298 L C -0.956 175.767 176.870 -0.245 0.000 1.013 298 L CA -0.140 54.625 54.840 -0.125 0.000 0.819 298 L CB 1.125 43.181 42.059 -0.005 0.000 1.227 298 L HN 0.883 nan 8.230 nan 0.000 0.417 299 H N 6.682 125.697 119.070 -0.091 0.000 2.552 299 H HA 0.461 5.017 4.556 -0.000 0.000 0.311 299 H C -0.402 174.867 175.328 -0.099 0.000 1.071 299 H CA -0.173 55.831 56.048 -0.073 0.000 1.307 299 H CB 1.215 30.941 29.762 -0.060 0.000 1.416 299 H HN 0.681 nan 8.280 nan 0.000 0.464 300 I N 0.053 120.615 120.570 -0.015 0.000 2.740 300 I HA 0.373 4.543 4.170 -0.000 0.000 0.303 300 I C -0.414 175.766 176.117 0.105 0.000 1.044 300 I CA -0.898 60.373 61.300 -0.049 0.000 1.064 300 I CB 2.946 40.787 38.000 -0.265 0.000 1.249 300 I HN 0.514 nan 8.210 nan 0.000 0.433 301 H N 3.303 122.365 119.070 -0.014 0.000 2.887 301 H HA 0.260 4.816 4.556 -0.000 0.000 0.300 301 H C -1.445 173.916 175.328 0.054 0.000 1.038 301 H CA -0.618 55.437 56.048 0.013 0.000 1.352 301 H CB 1.344 31.114 29.762 0.013 0.000 1.473 301 H HN 0.860 nan 8.280 nan 0.000 0.503 302 D N 5.142 125.538 120.400 -0.007 0.000 2.342 302 D HA -0.001 4.639 4.640 -0.000 0.000 0.260 302 D C 0.966 177.125 176.300 -0.235 0.000 1.278 302 D CA -0.188 53.798 54.000 -0.023 0.000 0.910 302 D CB 0.802 41.705 40.800 0.171 0.000 1.079 302 D HN 0.609 nan 8.370 nan 0.000 0.496 303 L N 3.902 124.983 121.223 -0.237 0.000 2.201 303 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 303 L C 1.794 178.603 176.870 -0.102 0.000 1.105 303 L CA 0.322 55.013 54.840 -0.249 0.000 0.775 303 L CB -0.214 41.798 42.059 -0.077 0.000 0.913 303 L HN 0.623 nan 8.230 nan 0.000 0.440 304 I N -0.811 119.739 120.570 -0.034 0.000 2.400 304 I HA -0.162 4.008 4.170 -0.000 0.000 0.248 304 I C 2.727 178.851 176.117 0.011 0.000 1.109 304 I CA 1.649 62.952 61.300 0.005 0.000 1.425 304 I CB -0.998 37.021 38.000 0.032 0.000 1.094 304 I HN 0.284 nan 8.210 nan 0.000 0.425 305 S N 0.113 115.826 115.700 0.021 0.000 2.439 305 S HA 0.114 4.584 4.470 -0.000 0.000 0.224 305 S C 1.835 176.449 174.600 0.023 0.000 1.029 305 S CA 1.121 59.345 58.200 0.040 0.000 0.946 305 S CB 0.282 63.536 63.200 0.091 0.000 0.797 305 S HN 0.548 nan 8.310 nan 0.000 0.504 306 G N 0.812 109.606 108.800 -0.010 0.000 2.234 306 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.235 306 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.235 306 G C -0.283 174.674 174.900 0.095 0.000 0.997 306 G CA 0.152 45.286 45.100 0.057 0.000 0.623 306 G HN 0.568 nan 8.290 nan 0.000 0.514 307 D N 0.787 121.183 120.400 -0.007 0.000 2.382 307 D HA 0.457 5.097 4.640 -0.000 0.000 0.240 307 D C 0.829 176.995 176.300 -0.223 0.000 1.146 307 D CA 0.304 54.181 54.000 -0.205 0.000 0.897 307 D CB 0.523 41.095 40.800 -0.381 0.000 1.197 307 D HN 0.347 nan 8.370 nan 0.000 0.432 308 R N 1.358 121.611 120.500 -0.412 0.000 2.480 308 R HA 0.450 4.790 4.340 -0.000 0.000 0.306 308 R C -0.712 175.298 176.300 -0.483 0.000 0.958 308 R CA -0.615 55.343 56.100 -0.236 0.000 0.861 308 R CB 1.083 31.320 30.300 -0.106 0.000 1.171 308 R HN 0.270 nan 8.270 nan 0.000 0.445 309 F N 0.314 120.267 119.950 0.006 0.000 2.631 309 F HA 0.362 4.889 4.527 -0.000 0.000 0.350 309 F C 0.359 176.100 175.800 -0.098 0.000 1.080 309 F CA -0.896 57.082 58.000 -0.037 0.000 1.026 309 F CB 1.359 40.312 39.000 -0.078 0.000 1.347 309 F HN 0.374 nan 8.300 nan 0.000 0.501 310 E N 1.551 121.795 120.200 0.073 0.000 2.191 310 E HA 0.456 4.806 4.350 -0.000 0.000 0.263 310 E C -1.756 174.775 176.600 -0.115 0.000 0.881 310 E CA -0.568 55.670 56.400 -0.270 0.000 0.757 310 E CB 1.129 30.606 29.700 -0.371 0.000 1.147 310 E HN 0.358 nan 8.360 nan 0.000 0.414 311 I N 3.507 123.996 120.570 -0.135 0.000 2.412 311 I HA 0.356 4.526 4.170 -0.000 0.000 0.296 311 I C -0.138 176.039 176.117 0.100 0.000 0.987 311 I CA -0.840 60.459 61.300 -0.001 0.000 1.180 311 I CB 1.311 39.294 38.000 -0.029 0.000 1.340 311 I HN 0.566 nan 8.210 nan 0.000 0.455 312 K N 4.652 125.129 120.400 0.127 0.000 2.270 312 K HA 0.859 5.179 4.320 -0.000 0.000 0.255 312 K C -1.325 175.328 176.600 0.088 0.000 0.936 312 K CA -0.348 56.021 56.287 0.137 0.000 0.809 312 K CB 1.872 34.413 32.500 0.069 0.000 1.131 312 K HN 0.787 nan 8.250 nan 0.000 0.427 313 A N 2.819 125.623 122.820 -0.028 0.000 2.606 313 A HA 0.373 4.693 4.320 -0.000 0.000 0.293 313 A C -0.516 176.889 177.584 -0.298 0.000 1.082 313 A CA -0.669 51.218 52.037 -0.249 0.000 0.685 313 A CB 1.061 19.772 19.000 -0.482 0.000 1.284 313 A HN 0.741 nan 8.150 nan 0.000 0.408 314 D N -0.419 119.869 120.400 -0.187 0.000 2.117 314 D HA 0.069 4.709 4.640 -0.000 0.000 0.198 314 D C 0.435 176.578 176.300 -0.262 0.000 0.982 314 D CA 1.908 55.861 54.000 -0.079 0.000 0.828 314 D CB 0.154 40.975 40.800 0.036 0.000 0.967 314 D HN 0.268 nan 8.370 nan 0.000 0.464 315 V N 0.510 120.126 119.914 -0.498 0.000 2.588 315 V HA 0.295 4.415 4.120 -0.000 0.000 0.304 315 V C -1.229 174.567 176.094 -0.496 0.000 1.042 315 V CA -0.865 61.139 62.300 -0.494 0.000 0.877 315 V CB 1.783 33.244 31.823 -0.604 0.000 0.996 315 V HN -0.057 nan 8.190 nan 0.000 0.425 316 Y N 2.785 123.051 120.300 -0.057 0.000 2.331 316 Y HA 0.685 5.235 4.550 -0.000 0.000 0.334 316 Y C -0.158 175.691 175.900 -0.084 0.000 0.960 316 Y CA -0.924 57.135 58.100 -0.068 0.000 1.130 316 Y CB 2.151 40.572 38.460 -0.067 0.000 1.164 316 Y HN 0.350 nan 8.280 nan 0.000 0.458 317 V N 5.622 125.508 119.914 -0.047 0.000 2.407 317 V HA 0.366 4.486 4.120 -0.000 0.000 0.291 317 V C -0.465 175.494 176.094 -0.225 0.000 1.018 317 V CA -0.852 61.304 62.300 -0.239 0.000 0.842 317 V CB 1.541 33.004 31.823 -0.600 0.000 0.996 317 V HN 0.606 nan 8.190 nan 0.000 0.426 318 L N 5.467 126.556 121.223 -0.225 0.000 2.255 318 L HA 0.506 4.846 4.340 -0.000 0.000 0.289 318 L C 0.460 177.222 176.870 -0.180 0.000 1.046 318 L CA -0.147 54.578 54.840 -0.191 0.000 0.816 318 L CB 1.307 43.229 42.059 -0.229 0.000 1.197 318 L HN 0.784 nan 8.230 nan 0.000 0.427 319 T N -1.548 112.935 114.554 -0.119 0.000 3.516 319 T HA 0.367 4.717 4.350 -0.000 0.000 0.245 319 T C 0.646 175.345 174.700 -0.001 0.000 1.077 319 T CA -0.201 61.871 62.100 -0.047 0.000 1.222 319 T CB 0.961 69.807 68.868 -0.037 0.000 1.045 319 T HN 0.534 nan 8.240 nan 0.000 0.585 320 A N 0.827 123.652 122.820 0.007 0.000 2.370 320 A HA 0.768 5.088 4.320 -0.000 0.000 0.238 320 A C 1.384 179.033 177.584 0.109 0.000 1.289 320 A CA 0.042 52.104 52.037 0.041 0.000 0.885 320 A CB -0.890 18.127 19.000 0.029 0.000 0.961 320 A HN 1.676 nan 8.150 nan 0.000 0.499 321 G N -2.367 106.498 108.800 0.108 0.000 2.707 321 G HA2 0.234 4.194 3.960 -0.000 0.000 0.686 321 G HA3 0.234 4.194 3.960 -0.000 0.000 0.686 321 G C 0.788 175.793 174.900 0.174 0.000 1.315 321 G CA -0.327 44.854 45.100 0.136 0.000 0.832 321 G HN 1.294 nan 8.290 nan 0.000 0.573 322 A N -0.572 122.347 122.820 0.165 0.000 1.930 322 A HA 0.263 4.583 4.320 -0.000 0.000 0.217 322 A C 2.659 180.347 177.584 0.173 0.000 1.175 322 A CA 3.117 55.257 52.037 0.173 0.000 0.627 322 A CB -0.384 18.691 19.000 0.124 0.000 0.815 322 A HN 1.564 nan 8.150 nan 0.000 0.443 323 V N -0.701 119.273 119.914 0.101 0.000 2.273 323 V HA -0.156 3.964 4.120 -0.000 0.000 0.242 323 V C 2.372 178.451 176.094 -0.024 0.000 1.035 323 V CA 1.776 64.090 62.300 0.024 0.000 1.013 323 V CB -0.984 30.759 31.823 -0.134 0.000 0.652 323 V HN 0.630 nan 8.190 nan 0.000 0.452 324 H N 0.159 119.295 119.070 0.110 0.000 2.491 324 H HA -0.047 4.509 4.556 -0.000 0.000 0.290 324 H C 2.245 177.545 175.328 -0.046 0.000 1.050 324 H CA 1.210 57.269 56.048 0.018 0.000 1.309 324 H CB -0.173 29.585 29.762 -0.007 0.000 1.392 324 H HN 0.372 nan 8.280 nan 0.000 0.554 325 N N 0.053 118.796 118.700 0.072 0.000 2.142 325 N HA -0.095 4.645 4.740 -0.000 0.000 0.186 325 N C 1.841 177.292 175.510 -0.097 0.000 1.023 325 N CA 1.455 54.472 53.050 -0.055 0.000 0.852 325 N CB -0.417 37.989 38.487 -0.134 0.000 0.998 325 N HN 0.289 nan 8.380 nan 0.000 0.424 326 T N 0.690 115.260 114.554 0.025 0.000 2.788 326 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 326 T C 1.804 176.303 174.700 -0.334 0.000 1.044 326 T CA 1.131 63.248 62.100 0.027 0.000 1.139 326 T CB -0.126 68.921 68.868 0.299 0.000 0.867 326 T HN 0.369 nan 8.240 nan 0.000 0.454 327 Q N 0.216 119.662 119.800 -0.590 0.000 2.049 327 Q HA -0.068 4.272 4.340 -0.000 0.000 0.198 327 Q C 2.346 178.036 176.000 -0.515 0.000 0.971 327 Q CA 0.863 55.976 55.803 -1.150 0.000 0.833 327 Q CB -0.231 28.100 28.738 -0.678 0.000 0.896 327 Q HN 0.363 nan 8.270 nan 0.000 0.434 328 L N 1.100 122.164 121.223 -0.265 0.000 2.042 328 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 328 L C 1.990 178.760 176.870 -0.167 0.000 1.076 328 L CA 1.638 56.373 54.840 -0.175 0.000 0.749 328 L CB -1.000 40.978 42.059 -0.136 0.000 0.893 328 L HN 0.346 nan 8.230 nan 0.000 0.432 329 L N -1.547 119.556 121.223 -0.200 0.000 1.994 329 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 329 L C 2.424 179.312 176.870 0.029 0.000 1.071 329 L CA 1.207 55.954 54.840 -0.155 0.000 0.745 329 L CB -0.535 41.366 42.059 -0.263 0.000 0.892 329 L HN 0.091 nan 8.230 nan 0.000 0.431 330 V N -0.299 119.575 119.914 -0.067 0.000 2.594 330 V HA -0.244 3.876 4.120 -0.000 0.000 0.253 330 V C 1.979 178.055 176.094 -0.029 0.000 1.069 330 V CA 1.808 64.103 62.300 -0.007 0.000 1.082 330 V CB -0.803 30.998 31.823 -0.036 0.000 0.680 330 V HN 0.484 nan 8.190 nan 0.000 0.469 331 N N 0.033 118.674 118.700 -0.098 0.000 2.512 331 N HA -0.078 4.662 4.740 -0.000 0.000 0.183 331 N C 1.555 177.047 175.510 -0.031 0.000 1.073 331 N CA 0.961 53.971 53.050 -0.066 0.000 0.911 331 N CB 0.000 38.432 38.487 -0.092 0.000 0.964 331 N HN 0.385 nan 8.380 nan 0.000 0.447 332 S N -1.515 114.193 115.700 0.013 0.000 2.540 332 S HA 0.314 4.784 4.470 -0.000 0.000 0.218 332 S C 1.036 175.624 174.600 -0.019 0.000 0.977 332 S CA 0.260 58.480 58.200 0.033 0.000 0.918 332 S CB 0.614 63.892 63.200 0.130 0.000 0.806 332 S HN 0.522 nan 8.310 nan 0.000 0.496 333 G N 1.161 109.953 108.800 -0.013 0.000 2.144 333 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.218 333 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.218 333 G C -0.115 174.672 174.900 -0.188 0.000 0.988 333 G CA -0.565 44.474 45.100 -0.100 0.000 0.659 333 G HN 0.397 nan 8.290 nan 0.000 0.522 334 F N 0.861 120.782 119.950 -0.049 0.000 2.371 334 F HA 0.573 5.100 4.527 -0.000 0.000 0.329 334 F C 1.468 177.276 175.800 0.013 0.000 1.107 334 F CA 0.918 58.900 58.000 -0.030 0.000 1.137 334 F CB 1.163 40.115 39.000 -0.080 0.000 1.214 334 F HN 0.855 nan 8.300 nan 0.000 0.536 335 G N 1.954 110.888 108.800 0.223 0.000 2.601 335 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.252 335 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.252 335 G C -0.939 174.037 174.900 0.125 0.000 1.294 335 G CA -0.455 44.752 45.100 0.177 0.000 0.912 335 G HN 0.797 nan 8.290 nan 0.000 0.574 336 Q N -0.929 118.950 119.800 0.131 0.000 2.340 336 Q HA 0.649 4.989 4.340 -0.000 0.000 0.268 336 Q C -0.676 175.406 176.000 0.137 0.000 1.031 336 Q CA -0.988 54.872 55.803 0.094 0.000 0.804 336 Q CB 1.709 30.480 28.738 0.053 0.000 1.286 336 Q HN 0.826 nan 8.270 nan 0.000 0.448 337 L N 3.376 124.667 121.223 0.114 0.000 2.375 337 L HA 0.784 5.124 4.340 -0.000 0.000 0.271 337 L C 0.122 177.068 176.870 0.128 0.000 1.107 337 L CA 1.355 56.289 54.840 0.157 0.000 0.806 337 L CB 1.210 43.335 42.059 0.110 0.000 1.146 337 L HN 0.810 nan 8.230 nan 0.000 0.447 338 G N 3.295 112.218 108.800 0.205 0.000 2.710 338 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.668 338 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.668 338 G C -0.660 174.124 174.900 -0.193 0.000 1.320 338 G CA -0.295 44.870 45.100 0.109 0.000 0.860 338 G HN 0.935 nan 8.290 nan 0.000 0.538 339 R N 0.638 120.797 120.500 -0.569 0.000 2.585 339 R HA 0.330 4.670 4.340 -0.000 0.000 0.275 339 R C -1.948 173.939 176.300 -0.689 0.000 1.018 339 R CA -0.596 54.767 56.100 -1.229 0.000 1.072 339 R CB 0.016 29.856 30.300 -0.766 0.000 0.953 339 R HN 0.304 nan 8.270 nan 0.000 0.419 340 P HA -0.084 nan 4.420 nan 0.000 0.257 340 P C -1.288 175.866 177.300 -0.244 0.000 1.189 340 P CA 0.716 63.592 63.100 -0.374 0.000 0.780 340 P CB 0.166 31.661 31.700 -0.343 0.000 0.772 341 N N 4.752 123.358 118.700 -0.158 0.000 2.626 341 N HA 0.186 4.926 4.740 -0.000 0.000 0.242 341 N C -1.436 174.034 175.510 -0.067 0.000 1.005 341 N CA -2.158 50.828 53.050 -0.106 0.000 0.905 341 N CB 1.212 39.646 38.487 -0.089 0.000 1.128 341 N HN 0.179 nan 8.380 nan 0.000 0.512 342 P HA -0.120 nan 4.420 nan 0.000 0.218 342 P C 0.506 177.791 177.300 -0.025 0.000 1.149 342 P CA 0.776 63.855 63.100 -0.035 0.000 0.817 342 P CB 0.147 31.826 31.700 -0.036 0.000 0.785 343 A N -0.297 122.505 122.820 -0.030 0.000 2.426 343 A HA 0.068 4.388 4.320 -0.000 0.000 0.247 343 A C 0.740 178.313 177.584 -0.020 0.000 1.389 343 A CA 0.157 52.181 52.037 -0.022 0.000 1.129 343 A CB -1.428 17.558 19.000 -0.024 0.000 0.928 343 A HN 0.197 nan 8.150 nan 0.000 0.557 344 N N 0.039 118.728 118.700 -0.017 0.000 3.444 344 N HA 0.049 4.789 4.740 -0.000 0.000 0.148 344 N C -3.412 172.093 175.510 -0.009 0.000 1.071 344 N CA -0.378 52.663 53.050 -0.015 0.000 2.391 344 N CB 0.865 39.338 38.487 -0.024 0.000 1.507 344 N HN 0.165 nan 8.380 nan 0.000 0.732 345 P HA 0.279 nan 4.420 nan 0.000 0.271 345 P C -2.554 174.755 177.300 0.015 0.000 1.216 345 P CA -0.523 62.584 63.100 0.011 0.000 0.776 345 P CB 0.067 31.776 31.700 0.015 0.000 0.881 346 P HA 0.167 nan 4.420 nan 0.000 0.277 346 P C 0.897 178.214 177.300 0.028 0.000 1.240 346 P CA -0.218 62.900 63.100 0.030 0.000 0.798 346 P CB 1.162 32.895 31.700 0.054 0.000 0.979 347 E N 1.484 121.692 120.200 0.013 0.000 2.033 347 E HA -0.130 4.220 4.350 -0.000 0.000 0.199 347 E C 0.048 176.666 176.600 0.030 0.000 1.011 347 E CA 1.243 57.647 56.400 0.007 0.000 0.815 347 E CB -0.128 29.560 29.700 -0.020 0.000 0.755 347 E HN 0.400 nan 8.360 nan 0.000 0.451 348 L N 0.686 121.930 121.223 0.035 0.000 2.334 348 L HA 0.305 4.645 4.340 -0.000 0.000 0.276 348 L C -0.176 176.801 176.870 0.180 0.000 1.014 348 L CA -0.949 53.953 54.840 0.102 0.000 0.815 348 L CB 1.650 43.715 42.059 0.010 0.000 1.268 348 L HN 0.187 nan 8.230 nan 0.000 0.428 349 L N 3.043 124.396 121.223 0.216 0.000 3.823 349 L HA -0.169 4.171 4.340 -0.000 0.000 0.525 349 L C -1.452 175.523 176.870 0.176 0.000 1.247 349 L CA -0.449 54.524 54.840 0.222 0.000 0.776 349 L CB -0.834 41.403 42.059 0.296 0.000 1.443 349 L HN 0.612 nan 8.230 nan 0.000 0.831 350 P HA -0.102 nan 4.420 nan 0.000 0.225 350 P C 1.240 178.636 177.300 0.160 0.000 1.148 350 P CA 0.954 64.128 63.100 0.125 0.000 0.779 350 P CB 0.354 32.109 31.700 0.093 0.000 0.780 351 S N -0.753 115.054 115.700 0.178 0.000 2.575 351 S HA 0.074 4.544 4.470 -0.000 0.000 0.215 351 S C 0.787 175.540 174.600 0.254 0.000 0.966 351 S CA -0.402 57.942 58.200 0.240 0.000 0.911 351 S CB -0.616 62.688 63.200 0.174 0.000 0.780 351 S HN 0.052 nan 8.310 nan 0.000 0.514 352 L N 2.435 123.789 121.223 0.218 0.000 2.559 352 L HA 0.324 4.664 4.340 -0.000 0.000 0.274 352 L C 1.262 178.279 176.870 0.244 0.000 1.205 352 L CA 1.080 56.053 54.840 0.223 0.000 0.907 352 L CB -0.545 41.636 42.059 0.202 0.000 1.153 352 L HN 0.363 nan 8.230 nan 0.000 0.490 353 G N 2.512 111.466 108.800 0.256 0.000 2.189 353 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.267 353 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.267 353 G C 0.518 175.557 174.900 0.232 0.000 0.975 353 G CA 0.489 45.741 45.100 0.253 0.000 0.644 353 G HN 0.793 nan 8.290 nan 0.000 0.537 354 S N -1.388 114.466 115.700 0.256 0.000 2.722 354 S HA 0.625 5.095 4.470 -0.000 0.000 0.292 354 S C 0.448 175.260 174.600 0.354 0.000 1.135 354 S CA 0.126 58.455 58.200 0.214 0.000 1.003 354 S CB 0.792 64.084 63.200 0.153 0.000 1.067 354 S HN 0.902 nan 8.310 nan 0.000 0.546 355 Y N -1.129 119.241 120.300 0.118 0.000 4.177 355 Y HA -0.205 4.345 4.550 0.000 0.000 0.227 355 Y C 0.538 176.524 175.900 0.144 0.000 1.154 355 Y CA 0.180 58.348 58.100 0.114 0.000 1.887 355 Y CB -2.337 36.185 38.460 0.104 0.000 1.594 355 Y HN 0.627 nan 8.280 nan 0.000 0.668 356 I N 0.147 120.868 120.570 0.252 0.000 2.813 356 I HA 0.407 4.577 4.170 -0.000 0.000 0.287 356 I C 0.681 176.969 176.117 0.285 0.000 1.196 356 I CA 0.564 62.021 61.300 0.261 0.000 1.421 356 I CB 1.142 39.302 38.000 0.267 0.000 1.365 356 I HN 0.233 nan 8.210 nan 0.000 0.591 357 T N 2.082 116.779 114.554 0.239 0.000 2.876 357 T HA 0.691 5.041 4.350 -0.000 0.000 0.289 357 T C -0.692 174.068 174.700 0.100 0.000 1.014 357 T CA -0.706 61.525 62.100 0.218 0.000 0.986 357 T CB 1.989 70.949 68.868 0.154 0.000 1.021 357 T HN 0.856 nan 8.240 nan 0.000 0.458 358 E N 1.434 121.669 120.200 0.058 0.000 2.331 358 E HA 0.337 4.687 4.350 -0.000 0.000 0.275 358 E C -1.086 175.646 176.600 0.220 0.000 0.895 358 E CA -0.538 55.856 56.400 -0.010 0.000 0.753 358 E CB 1.937 31.436 29.700 -0.334 0.000 1.216 358 E HN 0.699 nan 8.360 nan 0.000 0.434 359 Q N 1.404 121.335 119.800 0.219 0.000 2.352 359 Q HA 0.371 4.711 4.340 -0.000 0.000 0.260 359 Q C -0.395 175.809 176.000 0.340 0.000 0.976 359 Q CA -0.221 55.760 55.803 0.298 0.000 0.881 359 Q CB 1.100 30.027 28.738 0.316 0.000 1.235 359 Q HN 0.483 nan 8.270 nan 0.000 0.419 360 S N 1.786 117.602 115.700 0.194 0.000 2.549 360 S HA 0.213 4.683 4.470 -0.000 0.000 0.283 360 S C -0.590 174.049 174.600 0.066 0.000 1.320 360 S CA -0.334 57.834 58.200 -0.053 0.000 1.058 360 S CB 0.270 63.349 63.200 -0.202 0.000 0.882 360 S HN 0.352 nan 8.310 nan 0.000 0.498 361 L N 5.426 126.656 121.223 0.012 0.000 2.404 361 L HA 0.608 4.948 4.340 -0.000 0.000 0.272 361 L C -0.694 176.033 176.870 -0.238 0.000 0.980 361 L CA -0.626 54.132 54.840 -0.137 0.000 0.836 361 L CB 1.434 43.420 42.059 -0.122 0.000 1.238 361 L HN 0.468 nan 8.230 nan 0.000 0.408 362 V N 2.200 121.876 119.914 -0.397 0.000 2.732 362 V HA 0.759 4.879 4.120 -0.000 0.000 0.310 362 V C -0.831 175.110 176.094 -0.255 0.000 1.053 362 V CA -0.669 61.320 62.300 -0.519 0.000 0.957 362 V CB 1.663 32.971 31.823 -0.859 0.000 1.018 362 V HN 0.768 nan 8.190 nan 0.000 0.452 363 F N 4.341 124.068 119.950 -0.371 0.000 2.619 363 F HA 0.865 5.392 4.527 -0.000 0.000 0.308 363 F C -0.460 175.190 175.800 -0.250 0.000 1.097 363 F CA -0.141 57.719 58.000 -0.233 0.000 0.953 363 F CB 1.582 40.479 39.000 -0.172 0.000 1.287 363 F HN 1.205 nan 8.300 nan 0.000 0.446 364 C N 2.369 121.028 119.300 -1.068 0.000 3.306 364 C HA 0.761 5.221 4.460 -0.000 0.000 0.335 364 C C -1.688 172.718 174.990 -0.973 0.000 1.382 364 C CA -0.745 57.640 59.018 -1.055 0.000 1.254 364 C CB 1.576 28.902 27.740 -0.689 0.000 1.555 364 C HN 1.012 nan 8.230 nan 0.000 0.463 365 Q N 0.575 120.033 119.800 -0.569 0.000 2.351 365 Q HA 0.800 5.140 4.340 -0.000 0.000 0.273 365 Q C -0.387 175.618 176.000 0.009 0.000 1.077 365 Q CA -0.234 55.452 55.803 -0.195 0.000 0.843 365 Q CB 2.636 31.280 28.738 -0.156 0.000 1.367 365 Q HN 0.939 nan 8.270 nan 0.000 0.449 366 T N -2.617 112.025 114.554 0.146 0.000 2.916 366 T HA 0.688 5.038 4.350 -0.000 0.000 0.292 366 T C -0.642 174.118 174.700 0.099 0.000 1.055 366 T CA -0.738 61.428 62.100 0.110 0.000 1.009 366 T CB 1.240 70.174 68.868 0.110 0.000 1.118 366 T HN 0.260 nan 8.240 nan 0.000 0.497 367 V N 2.659 122.597 119.914 0.039 0.000 2.384 367 V HA 0.406 4.526 4.120 -0.000 0.000 0.287 367 V C 0.264 176.365 176.094 0.011 0.000 1.020 367 V CA -0.881 61.430 62.300 0.019 0.000 0.850 367 V CB 1.225 33.045 31.823 -0.005 0.000 0.987 367 V HN 1.025 nan 8.190 nan 0.000 0.436 368 M N 5.040 124.652 119.600 0.020 0.000 2.260 368 M HA 0.112 4.592 4.480 -0.000 0.000 0.348 368 M C 0.842 177.142 176.300 -0.000 0.000 1.342 368 M CA 0.677 55.989 55.300 0.021 0.000 1.040 368 M CB 0.626 33.235 32.600 0.015 0.000 1.810 368 M HN 0.909 nan 8.290 nan 0.000 0.453 369 S N 2.631 118.330 115.700 -0.002 0.000 2.579 369 S HA 0.101 4.571 4.470 -0.000 0.000 0.275 369 S C 1.031 175.625 174.600 -0.010 0.000 1.345 369 S CA -0.175 58.014 58.200 -0.018 0.000 1.031 369 S CB 0.663 63.849 63.200 -0.023 0.000 0.892 369 S HN 0.810 nan 8.310 nan 0.000 0.529 370 T N 2.045 116.589 114.554 -0.015 0.000 2.635 370 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 370 T C 1.643 176.343 174.700 -0.000 0.000 1.040 370 T CA 2.077 64.172 62.100 -0.009 0.000 1.156 370 T CB -0.666 68.195 68.868 -0.013 0.000 0.863 370 T HN 0.797 nan 8.240 nan 0.000 0.430 371 E N 0.490 120.687 120.200 -0.004 0.000 2.065 371 E HA -0.145 4.205 4.350 -0.000 0.000 0.201 371 E C 2.281 178.893 176.600 0.018 0.000 1.016 371 E CA 1.166 57.568 56.400 0.003 0.000 0.818 371 E CB -0.355 29.342 29.700 -0.005 0.000 0.749 371 E HN 0.401 nan 8.360 nan 0.000 0.453 372 L N 0.677 121.911 121.223 0.019 0.000 2.046 372 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 372 L C 2.419 179.315 176.870 0.044 0.000 1.077 372 L CA 0.554 55.418 54.840 0.039 0.000 0.747 372 L CB -0.286 41.795 42.059 0.037 0.000 0.896 372 L HN 0.239 nan 8.230 nan 0.000 0.432 373 I N -0.242 120.341 120.570 0.022 0.000 2.226 373 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 373 I C 2.168 178.303 176.117 0.030 0.000 1.100 373 I CA 1.481 62.788 61.300 0.012 0.000 1.374 373 I CB -1.085 36.913 38.000 -0.003 0.000 1.057 373 I HN 0.294 nan 8.210 nan 0.000 0.413 374 D N 0.805 121.225 120.400 0.034 0.000 2.117 374 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 374 D C 2.381 178.725 176.300 0.074 0.000 0.987 374 D CA 1.741 55.767 54.000 0.044 0.000 0.829 374 D CB -0.101 40.717 40.800 0.030 0.000 0.961 374 D HN 0.368 nan 8.370 nan 0.000 0.460 375 S N 0.443 116.196 115.700 0.088 0.000 2.374 375 S HA -0.186 4.284 4.470 -0.000 0.000 0.227 375 S C 2.282 177.026 174.600 0.239 0.000 1.037 375 S CA 1.380 59.672 58.200 0.154 0.000 1.024 375 S CB -0.918 62.375 63.200 0.154 0.000 0.861 375 S HN 0.109 nan 8.310 nan 0.000 0.456 376 V N 3.346 123.364 119.914 0.174 0.000 2.439 376 V HA -0.207 3.913 4.120 -0.000 0.000 0.253 376 V C 2.191 178.417 176.094 0.220 0.000 1.074 376 V CA 2.287 64.708 62.300 0.202 0.000 1.076 376 V CB -0.974 30.872 31.823 0.038 0.000 0.664 376 V HN 0.873 nan 8.190 nan 0.000 0.461 377 K N -0.227 120.263 120.400 0.151 0.000 2.618 377 K HA 0.192 4.512 4.320 -0.000 0.000 0.207 377 K C 1.437 178.100 176.600 0.105 0.000 1.058 377 K CA 0.651 57.012 56.287 0.123 0.000 1.086 377 K CB 0.403 32.952 32.500 0.083 0.000 0.827 377 K HN 0.401 nan 8.250 nan 0.000 0.481 378 S N 0.438 116.215 115.700 0.129 0.000 2.423 378 S HA -0.119 4.351 4.470 -0.000 0.000 0.231 378 S C 0.892 175.498 174.600 0.010 0.000 1.014 378 S CA 1.069 59.301 58.200 0.055 0.000 0.965 378 S CB -0.181 63.033 63.200 0.023 0.000 0.785 378 S HN 0.306 nan 8.310 nan 0.000 0.495 379 D N 0.892 121.301 120.400 0.015 0.000 2.339 379 D HA 0.222 4.862 4.640 -0.000 0.000 0.217 379 D C 0.150 176.478 176.300 0.047 0.000 1.050 379 D CA 0.236 54.232 54.000 -0.006 0.000 0.856 379 D CB -0.034 40.740 40.800 -0.044 0.000 0.922 379 D HN 0.365 nan 8.370 nan 0.000 0.518 380 M N 0.560 120.191 119.600 0.052 0.000 2.235 380 M HA 0.196 4.676 4.480 -0.000 0.000 0.351 380 M C 0.360 176.685 176.300 0.042 0.000 1.178 380 M CA 0.161 55.499 55.300 0.064 0.000 1.143 380 M CB 0.781 33.414 32.600 0.055 0.000 1.530 380 M HN -0.299 nan 8.290 nan 0.000 0.461 381 T N 4.190 118.765 114.554 0.035 0.000 2.794 381 T HA 0.761 5.111 4.350 -0.000 0.000 0.280 381 T C -0.062 174.620 174.700 -0.030 0.000 0.987 381 T CA -0.423 61.680 62.100 0.005 0.000 0.993 381 T CB 1.080 69.948 68.868 -0.000 0.000 0.939 381 T HN 0.468 nan 8.240 nan 0.000 0.449 382 I N 2.969 123.521 120.570 -0.030 0.000 2.499 382 I HA 0.488 4.658 4.170 -0.000 0.000 0.288 382 I C -0.108 175.990 176.117 -0.032 0.000 1.048 382 I CA -0.718 60.546 61.300 -0.059 0.000 1.062 382 I CB 1.813 39.819 38.000 0.010 0.000 1.238 382 I HN 0.295 nan 8.210 nan 0.000 0.426 383 R N 4.318 124.774 120.500 -0.073 0.000 2.502 383 R HA 0.703 5.043 4.340 -0.000 0.000 0.298 383 R C -0.422 175.913 176.300 0.059 0.000 1.018 383 R CA -0.663 55.432 56.100 -0.007 0.000 0.899 383 R CB 2.204 32.487 30.300 -0.029 0.000 1.181 383 R HN 0.922 nan 8.270 nan 0.000 0.444 384 G N 1.089 109.970 108.800 0.135 0.000 2.525 384 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.685 384 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.685 384 G C -0.821 174.230 174.900 0.251 0.000 1.290 384 G CA -1.064 44.151 45.100 0.192 0.000 0.915 384 G HN 0.383 nan 8.290 nan 0.000 0.548 385 T N 3.373 118.008 114.554 0.136 0.000 2.832 385 T HA 0.547 4.897 4.350 -0.000 0.000 0.296 385 T C -2.183 172.395 174.700 -0.203 0.000 0.968 385 T CA -0.403 61.700 62.100 0.004 0.000 1.107 385 T CB 1.378 70.234 68.868 -0.020 0.000 0.916 385 T HN 0.456 nan 8.240 nan 0.000 0.517 386 P HA 0.203 nan 4.420 nan 0.000 0.262 386 P C 1.018 178.065 177.300 -0.421 0.000 1.199 386 P CA 0.839 63.339 63.100 -1.000 0.000 0.763 386 P CB 0.340 31.615 31.700 -0.708 0.000 0.790 387 G N 2.635 111.252 108.800 -0.305 0.000 2.491 387 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.203 387 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.203 387 G C 0.018 174.895 174.900 -0.039 0.000 1.052 387 G CA -0.111 44.918 45.100 -0.119 0.000 0.675 387 G HN 0.617 nan 8.290 nan 0.000 0.504 388 E N 1.119 121.308 120.200 -0.019 0.000 2.392 388 E HA 0.597 4.947 4.350 -0.000 0.000 0.256 388 E C 1.208 177.849 176.600 0.068 0.000 1.145 388 E CA -0.417 55.998 56.400 0.026 0.000 0.929 388 E CB 1.438 31.157 29.700 0.032 0.000 0.998 388 E HN 0.318 nan 8.360 nan 0.000 0.442 389 L N 1.570 122.826 121.223 0.055 0.000 2.478 389 L HA -0.065 4.275 4.340 -0.000 0.000 0.223 389 L C 1.903 178.813 176.870 0.067 0.000 1.140 389 L CA 1.485 56.360 54.840 0.058 0.000 0.842 389 L CB -0.150 41.930 42.059 0.035 0.000 0.953 389 L HN 0.867 nan 8.230 nan 0.000 0.452 390 T N -3.809 110.790 114.554 0.076 0.000 3.129 390 T HA -0.054 4.296 4.350 -0.000 0.000 0.251 390 T C 0.566 175.329 174.700 0.104 0.000 1.117 390 T CA -0.210 61.931 62.100 0.069 0.000 1.034 390 T CB -0.606 68.296 68.868 0.056 0.000 0.968 390 T HN 0.195 nan 8.240 nan 0.000 0.526 391 Y N 2.710 123.012 120.300 0.003 0.000 2.442 391 Y HA 0.458 5.008 4.550 0.000 0.000 0.330 391 Y C 0.073 175.976 175.900 0.006 0.000 1.129 391 Y CA -0.725 57.379 58.100 0.005 0.000 1.365 391 Y CB 0.534 38.997 38.460 0.004 0.000 1.233 391 Y HN 0.179 nan 8.280 nan 0.000 0.529 392 S N 5.432 120.841 115.700 -0.485 0.000 2.572 392 S HA 0.701 5.171 4.470 -0.000 0.000 0.274 392 S C -2.112 172.191 174.600 -0.496 0.000 1.150 392 S CA -0.704 57.261 58.200 -0.393 0.000 0.944 392 S CB 0.794 63.893 63.200 -0.168 0.000 1.071 392 S HN 0.504 nan 8.310 nan 0.000 0.479 393 V N 4.630 124.318 119.914 -0.377 0.000 2.407 393 V HA 0.750 4.870 4.120 -0.000 0.000 0.291 393 V C 0.190 176.246 176.094 -0.062 0.000 1.018 393 V CA -0.353 61.814 62.300 -0.221 0.000 0.842 393 V CB 1.284 33.006 31.823 -0.169 0.000 0.996 393 V HN 1.039 nan 8.190 nan 0.000 0.426 394 T N 1.899 116.449 114.554 -0.006 0.000 2.883 394 T HA 0.888 5.238 4.350 -0.000 0.000 0.296 394 T C -1.071 173.724 174.700 0.158 0.000 1.117 394 T CA -0.749 61.381 62.100 0.050 0.000 1.006 394 T CB 2.433 71.285 68.868 -0.025 0.000 1.191 394 T HN 0.939 nan 8.240 nan 0.000 0.508 395 Y N -1.753 118.536 120.300 -0.018 0.000 2.609 395 Y HA 0.731 5.281 4.550 -0.000 0.000 0.336 395 Y C -1.153 174.739 175.900 -0.014 0.000 1.129 395 Y CA -1.205 56.886 58.100 -0.014 0.000 1.040 395 Y CB 1.001 39.459 38.460 -0.002 0.000 1.310 395 Y HN 0.687 nan 8.280 nan 0.000 0.460 396 T N 4.414 118.923 114.554 -0.075 0.000 2.853 396 T HA 0.404 4.754 4.350 -0.000 0.000 0.317 396 T C -2.879 171.770 174.700 -0.084 0.000 1.059 396 T CA -1.421 60.583 62.100 -0.160 0.000 0.954 396 T CB 0.618 69.451 68.868 -0.058 0.000 0.994 396 T HN 0.379 nan 8.240 nan 0.000 0.479 397 P HA 0.264 nan 4.420 nan 0.000 0.264 397 P C 1.167 178.495 177.300 0.046 0.000 1.193 397 P CA 0.687 63.806 63.100 0.032 0.000 0.763 397 P CB 0.398 32.084 31.700 -0.024 0.000 0.810 398 G N 1.882 110.730 108.800 0.080 0.000 2.225 398 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.254 398 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.254 398 G C 0.488 175.397 174.900 0.015 0.000 0.988 398 G CA 0.011 45.133 45.100 0.037 0.000 0.625 398 G HN 0.867 nan 8.290 nan 0.000 0.527 399 A N 0.774 123.605 122.820 0.018 0.000 2.587 399 A HA 0.510 4.830 4.320 -0.000 0.000 0.235 399 A C 1.930 179.503 177.584 -0.018 0.000 1.044 399 A CA 1.557 53.593 52.037 -0.003 0.000 0.754 399 A CB 0.118 19.119 19.000 0.002 0.000 0.968 399 A HN 1.919 nan 8.150 nan 0.000 0.509 400 S N 1.739 117.425 115.700 -0.023 0.000 2.400 400 S HA -0.193 4.277 4.470 -0.000 0.000 0.232 400 S C 1.489 176.058 174.600 -0.051 0.000 1.025 400 S CA 1.992 60.173 58.200 -0.033 0.000 0.993 400 S CB -0.934 62.250 63.200 -0.028 0.000 0.808 400 S HN 1.343 nan 8.310 nan 0.000 0.478 401 T N -1.085 113.438 114.554 -0.052 0.000 3.100 401 T HA 0.217 4.567 4.350 -0.000 0.000 0.253 401 T C 0.504 175.142 174.700 -0.102 0.000 1.118 401 T CA -0.384 61.675 62.100 -0.069 0.000 1.058 401 T CB -0.657 68.178 68.868 -0.055 0.000 0.953 401 T HN 0.238 nan 8.240 nan 0.000 0.515 402 N N 2.358 120.998 118.700 -0.099 0.000 2.353 402 N HA 0.086 4.826 4.740 -0.000 0.000 0.248 402 N C 1.032 176.378 175.510 -0.273 0.000 1.240 402 N CA 0.041 52.999 53.050 -0.153 0.000 0.862 402 N CB 0.691 39.116 38.487 -0.104 0.000 1.086 402 N HN 0.230 nan 8.380 nan 0.000 0.453 403 K N 1.140 121.263 120.400 -0.461 0.000 2.284 403 K HA 0.066 4.386 4.320 -0.000 0.000 0.198 403 K C 0.002 176.012 176.600 -0.983 0.000 1.048 403 K CA 0.741 56.597 56.287 -0.718 0.000 0.987 403 K CB 0.232 32.197 32.500 -0.892 0.000 0.800 403 K HN 0.603 nan 8.250 nan 0.000 0.486 404 H N 0.020 118.744 119.070 -0.577 0.000 2.855 404 H HA 0.355 4.911 4.556 -0.000 0.000 0.363 404 H C -2.496 172.478 175.328 -0.590 0.000 1.185 404 H CA -2.498 53.038 56.048 -0.855 0.000 1.174 404 H CB 0.908 29.559 29.762 -1.852 0.000 1.857 404 H HN -0.200 nan 8.280 nan 0.000 0.565 405 P HA 0.013 nan 4.420 nan 0.000 0.272 405 P C 0.285 177.422 177.300 -0.271 0.000 1.230 405 P CA -0.146 62.791 63.100 -0.271 0.000 0.788 405 P CB 0.931 32.492 31.700 -0.232 0.000 0.949 406 D N 0.323 120.701 120.400 -0.037 0.000 2.149 406 D HA -0.161 4.479 4.640 -0.000 0.000 0.198 406 D C 1.758 178.104 176.300 0.077 0.000 0.990 406 D CA 1.244 55.291 54.000 0.079 0.000 0.839 406 D CB -0.571 40.364 40.800 0.224 0.000 0.948 406 D HN 0.604 nan 8.370 nan 0.000 0.460 407 W N 0.183 121.563 121.300 0.132 0.000 2.350 407 W HA -0.156 4.504 4.660 -0.000 0.000 0.289 407 W C 1.836 178.438 176.519 0.139 0.000 1.215 407 W CA 0.345 57.765 57.345 0.124 0.000 1.236 407 W CB -1.283 28.245 29.460 0.113 0.000 1.130 407 W HN 0.123 nan 8.180 nan 0.000 0.541 408 W N 3.395 124.314 121.300 -0.636 0.000 2.488 408 W HA -0.042 4.618 4.660 -0.000 0.000 0.304 408 W C 1.830 178.070 176.519 -0.466 0.000 1.175 408 W CA 1.299 58.158 57.345 -0.810 0.000 1.365 408 W CB -1.119 27.509 29.460 -1.387 0.000 1.131 408 W HN -0.193 nan 8.180 nan 0.000 0.520 409 N N 1.263 119.909 118.700 -0.090 0.000 2.289 409 N HA -0.192 4.548 4.740 -0.000 0.000 0.184 409 N C 1.453 176.636 175.510 -0.546 0.000 1.016 409 N CA 1.816 54.618 53.050 -0.412 0.000 0.872 409 N CB -0.534 37.371 38.487 -0.969 0.000 0.973 409 N HN 0.317 nan 8.380 nan 0.000 0.433 410 E N 1.404 121.420 120.200 -0.307 0.000 2.106 410 E HA -0.043 4.307 4.350 -0.000 0.000 0.192 410 E C 1.651 178.291 176.600 0.067 0.000 0.984 410 E CA 1.176 57.607 56.400 0.052 0.000 0.806 410 E CB 0.106 29.930 29.700 0.207 0.000 0.750 410 E HN 0.204 nan 8.360 nan 0.000 0.458 411 K N -0.467 119.961 120.400 0.047 0.000 2.057 411 K HA -0.061 4.259 4.320 -0.000 0.000 0.206 411 K C 2.046 178.654 176.600 0.014 0.000 1.050 411 K CA 1.203 57.518 56.287 0.047 0.000 0.935 411 K CB -0.012 32.515 32.500 0.045 0.000 0.715 411 K HN 0.040 nan 8.250 nan 0.000 0.439 412 V N 2.037 121.926 119.914 -0.042 0.000 2.358 412 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 412 V C 2.371 178.502 176.094 0.061 0.000 1.047 412 V CA 1.828 64.120 62.300 -0.015 0.000 1.035 412 V CB -0.409 31.403 31.823 -0.018 0.000 0.658 412 V HN 0.374 nan 8.190 nan 0.000 0.452 413 K N 0.391 120.820 120.400 0.049 0.000 2.026 413 K HA -0.228 4.092 4.320 -0.000 0.000 0.208 413 K C 1.958 178.610 176.600 0.088 0.000 1.048 413 K CA 2.050 58.390 56.287 0.089 0.000 0.929 413 K CB -0.295 32.308 32.500 0.173 0.000 0.713 413 K HN 0.401 nan 8.250 nan 0.000 0.439 414 N N 0.315 119.072 118.700 0.095 0.000 2.223 414 N HA -0.180 4.560 4.740 -0.000 0.000 0.185 414 N C 1.752 177.302 175.510 0.067 0.000 1.016 414 N CA 1.425 54.520 53.050 0.074 0.000 0.863 414 N CB -0.456 38.082 38.487 0.085 0.000 0.983 414 N HN 0.490 nan 8.380 nan 0.000 0.429 415 H N 0.389 119.480 119.070 0.034 0.000 2.333 415 H HA 0.157 4.713 4.556 -0.000 0.000 0.302 415 H C 2.058 177.430 175.328 0.073 0.000 1.075 415 H CA 1.458 57.543 56.048 0.062 0.000 1.348 415 H CB -0.007 29.736 29.762 -0.031 0.000 1.393 415 H HN 0.052 nan 8.280 nan 0.000 0.509 416 M N -0.653 118.991 119.600 0.073 0.000 2.229 416 M HA -0.134 4.346 4.480 -0.000 0.000 0.264 416 M C 1.768 178.128 176.300 0.100 0.000 1.063 416 M CA 1.064 56.417 55.300 0.088 0.000 1.114 416 M CB 0.047 32.747 32.600 0.166 0.000 1.387 416 M HN 0.371 nan 8.290 nan 0.000 0.420 417 M N -0.276 119.355 119.600 0.052 0.000 2.160 417 M HA -0.094 4.386 4.480 -0.000 0.000 0.264 417 M C 2.051 178.334 176.300 -0.029 0.000 1.073 417 M CA 1.486 56.823 55.300 0.061 0.000 1.142 417 M CB -1.054 31.556 32.600 0.016 0.000 1.358 417 M HN 0.203 nan 8.290 nan 0.000 0.422 418 Q N -0.323 119.378 119.800 -0.164 0.000 2.369 418 Q HA -0.039 4.301 4.340 -0.000 0.000 0.206 418 Q C 0.050 175.688 176.000 -0.604 0.000 0.963 418 Q CA 0.934 56.512 55.803 -0.376 0.000 0.894 418 Q CB 0.044 28.510 28.738 -0.453 0.000 0.965 418 Q HN 0.560 nan 8.270 nan 0.000 0.475 419 H N 0.163 119.146 119.070 -0.144 0.000 2.429 419 H HA 0.238 4.794 4.556 -0.000 0.000 0.231 419 H C 0.171 175.425 175.328 -0.123 0.000 1.416 419 H CA -0.087 55.877 56.048 -0.141 0.000 1.443 419 H CB 0.378 29.990 29.762 -0.251 0.000 1.591 419 H HN 0.225 nan 8.280 nan 0.000 0.507 420 Q N 0.620 120.428 119.800 0.012 0.000 2.444 420 Q HA -0.059 4.281 4.340 -0.000 0.000 0.206 420 Q C 1.532 177.482 176.000 -0.083 0.000 0.948 420 Q CA 0.424 56.188 55.803 -0.066 0.000 0.946 420 Q CB 0.588 29.241 28.738 -0.142 0.000 1.027 420 Q HN 0.490 nan 8.270 nan 0.000 0.513 421 E N 1.041 121.242 120.200 0.002 0.000 2.474 421 E HA -0.045 4.305 4.350 -0.000 0.000 0.194 421 E C -0.509 176.118 176.600 0.045 0.000 1.041 421 E CA 0.252 56.659 56.400 0.011 0.000 0.874 421 E CB 0.191 29.913 29.700 0.038 0.000 0.914 421 E HN 0.154 nan 8.360 nan 0.000 0.498 422 D N 2.010 122.455 120.400 0.074 0.000 2.198 422 D HA 0.162 4.802 4.640 -0.000 0.000 0.245 422 D C -1.768 174.581 176.300 0.082 0.000 1.079 422 D CA -2.086 51.983 54.000 0.116 0.000 0.854 422 D CB 1.730 42.633 40.800 0.172 0.000 1.148 422 D HN -0.144 nan 8.370 nan 0.000 0.456 423 P HA 0.181 nan 4.420 nan 0.000 0.262 423 P C -0.547 176.780 177.300 0.044 0.000 1.304 423 P CA 0.063 63.190 63.100 0.045 0.000 0.859 423 P CB 0.273 31.991 31.700 0.029 0.000 1.310 424 L N 1.381 122.635 121.223 0.052 0.000 2.354 424 L HA 0.421 4.761 4.340 -0.000 0.000 0.269 424 L C -1.502 175.362 176.870 -0.010 0.000 1.005 424 L CA -2.357 52.480 54.840 -0.006 0.000 0.819 424 L CB 2.828 44.849 42.059 -0.064 0.000 1.311 424 L HN -0.350 nan 8.230 nan 0.000 0.423 425 P HA 0.046 nan 4.420 nan 0.000 0.236 425 P C 0.324 177.449 177.300 -0.291 0.000 1.177 425 P CA 0.765 63.822 63.100 -0.072 0.000 0.773 425 P CB 0.504 32.183 31.700 -0.035 0.000 0.878 426 I N 2.310 122.627 120.570 -0.422 0.000 2.371 426 I HA 0.194 4.364 4.170 -0.000 0.000 0.290 426 I C -2.158 173.453 176.117 -0.843 0.000 1.028 426 I CA -2.761 58.247 61.300 -0.486 0.000 1.345 426 I CB 0.868 38.669 38.000 -0.331 0.000 1.407 426 I HN -0.243 nan 8.210 nan 0.000 0.501 427 P HA 0.026 nan 4.420 nan 0.000 0.268 427 P C 0.341 177.447 177.300 -0.322 0.000 1.204 427 P CA -0.058 62.711 63.100 -0.552 0.000 0.768 427 P CB 0.317 31.932 31.700 -0.142 0.000 0.842 428 F N 1.114 121.020 119.950 -0.074 0.000 2.147 428 F HA -0.180 4.347 4.527 -0.000 0.000 0.301 428 F C 1.761 177.556 175.800 -0.008 0.000 1.084 428 F CA 1.674 59.654 58.000 -0.034 0.000 1.268 428 F CB -0.946 38.048 39.000 -0.010 0.000 1.009 428 F HN 0.429 nan 8.300 nan 0.000 0.486 429 E N -0.301 120.010 120.200 0.186 0.000 2.419 429 E HA -0.007 4.343 4.350 -0.000 0.000 0.190 429 E C -0.244 176.400 176.600 0.075 0.000 1.040 429 E CA -0.282 56.196 56.400 0.130 0.000 0.900 429 E CB -0.231 29.547 29.700 0.130 0.000 1.054 429 E HN 0.163 nan 8.360 nan 0.000 0.462 430 D N 2.419 122.838 120.400 0.032 0.000 2.487 430 D HA 0.007 4.647 4.640 -0.000 0.000 0.243 430 D C -2.302 174.033 176.300 0.059 0.000 1.154 430 D CA -1.323 52.682 54.000 0.009 0.000 0.876 430 D CB 0.752 41.513 40.800 -0.065 0.000 1.161 430 D HN -0.095 nan 8.370 nan 0.000 0.478 431 P HA 0.056 nan 4.420 nan 0.000 0.272 431 P C -0.530 176.895 177.300 0.208 0.000 1.230 431 P CA -0.278 62.928 63.100 0.176 0.000 0.788 431 P CB 0.390 32.194 31.700 0.174 0.000 0.949 432 E N 2.549 122.888 120.200 0.232 0.000 2.442 432 E HA 0.037 4.387 4.350 -0.000 0.000 0.262 432 E C -2.030 174.578 176.600 0.014 0.000 1.004 432 E CA -1.361 55.093 56.400 0.092 0.000 0.928 432 E CB -0.838 28.887 29.700 0.042 0.000 0.937 432 E HN 0.356 nan 8.360 nan 0.000 0.446 433 P HA -0.011 nan 4.420 nan 0.000 0.269 433 P C -0.373 176.887 177.300 -0.066 0.000 1.215 433 P CA 0.111 63.252 63.100 0.068 0.000 0.780 433 P CB 0.596 32.315 31.700 0.030 0.000 0.898 434 Q N 0.972 120.797 119.800 0.041 0.000 3.557 434 Q HA 0.292 4.632 4.340 -0.000 0.000 0.264 434 Q C -0.997 175.060 176.000 0.095 0.000 0.850 434 Q CA -0.299 55.424 55.803 -0.133 0.000 0.833 434 Q CB 1.143 29.509 28.738 -0.621 0.000 1.505 434 Q HN 0.203 nan 8.270 nan 0.000 0.402 435 V N 0.418 120.375 119.914 0.071 0.000 2.667 435 V HA 0.785 4.905 4.120 -0.000 0.000 0.308 435 V C 0.161 176.262 176.094 0.011 0.000 1.048 435 V CA -0.509 61.840 62.300 0.081 0.000 0.928 435 V CB 2.072 33.891 31.823 -0.005 0.000 1.004 435 V HN 0.415 nan 8.190 nan 0.000 0.444 436 T N 1.501 116.090 114.554 0.058 0.000 2.932 436 T HA 0.456 4.806 4.350 -0.000 0.000 0.318 436 T C -0.963 173.653 174.700 -0.139 0.000 1.265 436 T CA -0.296 61.765 62.100 -0.065 0.000 1.036 436 T CB 1.839 70.650 68.868 -0.094 0.000 1.209 436 T HN 0.887 nan 8.240 nan 0.000 0.484 437 T N 4.991 119.300 114.554 -0.410 0.000 2.756 437 T HA 0.602 4.952 4.350 -0.000 0.000 0.290 437 T C 0.088 174.623 174.700 -0.274 0.000 0.985 437 T CA -0.620 61.099 62.100 -0.635 0.000 0.955 437 T CB -0.205 67.861 68.868 -1.337 0.000 0.930 437 T HN 0.533 nan 8.240 nan 0.000 0.451 438 L N 4.382 125.535 121.223 -0.117 0.000 2.473 438 L HA 0.352 4.692 4.340 -0.000 0.000 0.268 438 L C 0.825 177.717 176.870 0.036 0.000 1.215 438 L CA -0.881 53.980 54.840 0.034 0.000 0.823 438 L CB 0.140 42.226 42.059 0.044 0.000 1.099 438 L HN 0.612 nan 8.230 nan 0.000 0.483 439 F N 2.587 122.481 119.950 -0.094 0.000 2.604 439 F HA -0.059 4.468 4.527 -0.000 0.000 0.390 439 F C 0.262 175.825 175.800 -0.396 0.000 1.053 439 F CA 0.600 58.456 58.000 -0.240 0.000 1.256 439 F CB 0.115 39.023 39.000 -0.153 0.000 0.996 439 F HN 0.385 nan 8.300 nan 0.000 0.564 440 Q N 6.402 125.781 119.800 -0.701 0.000 2.462 440 Q HA 0.249 4.589 4.340 -0.000 0.000 0.285 440 Q C -2.004 173.602 176.000 -0.657 0.000 1.035 440 Q CA -1.751 53.690 55.803 -0.602 0.000 0.799 440 Q CB 1.484 29.671 28.738 -0.920 0.000 1.452 440 Q HN 0.226 nan 8.270 nan 0.000 0.404 441 P HA -0.195 nan 4.420 nan 0.000 0.217 441 P C 0.958 178.048 177.300 -0.349 0.000 1.151 441 P CA 1.978 64.919 63.100 -0.265 0.000 0.849 441 P CB 0.259 31.884 31.700 -0.126 0.000 0.787 442 S N -1.992 113.499 115.700 -0.349 0.000 2.489 442 S HA -0.092 4.378 4.470 -0.000 0.000 0.228 442 S C 0.548 174.951 174.600 -0.329 0.000 0.995 442 S CA 0.361 58.422 58.200 -0.233 0.000 0.934 442 S CB -1.183 61.981 63.200 -0.060 0.000 0.771 442 S HN 0.475 nan 8.310 nan 0.000 0.522 443 H N -1.224 117.425 119.070 -0.702 0.000 2.490 443 H HA 0.433 4.989 4.556 -0.000 0.000 0.230 443 H C -3.211 171.004 175.328 -1.855 0.000 1.417 443 H CA -2.036 53.238 56.048 -1.291 0.000 1.449 443 H CB 0.167 29.456 29.762 -0.789 0.000 1.649 443 H HN 0.016 nan 8.280 nan 0.000 0.519 444 P HA 0.003 nan 4.420 nan 0.000 0.237 444 P C -1.218 175.333 177.300 -1.249 0.000 1.701 444 P CA 0.436 62.431 63.100 -1.843 0.000 0.955 444 P CB -1.161 30.049 31.700 -0.816 0.000 1.937 445 W N -0.881 119.982 121.300 -0.728 0.000 3.248 445 W HA 0.492 5.152 4.660 0.000 0.000 0.311 445 W C -1.029 175.546 176.519 0.093 0.000 1.258 445 W CA -1.280 56.033 57.345 -0.053 0.000 1.191 445 W CB 0.005 29.497 29.460 0.054 0.000 1.389 445 W HN -0.036 nan 8.180 nan 0.000 0.561 446 H N 1.023 120.373 119.070 0.466 0.000 2.505 446 H HA 0.726 5.282 4.556 -0.000 0.000 0.351 446 H C -0.163 175.331 175.328 0.276 0.000 1.151 446 H CA 0.574 56.801 56.048 0.297 0.000 1.339 446 H CB 1.551 31.441 29.762 0.215 0.000 1.483 446 H HN 0.591 nan 8.280 nan 0.000 0.558 447 T N 2.061 116.218 114.554 -0.662 0.000 2.893 447 T HA 0.488 4.838 4.350 -0.000 0.000 0.293 447 T C -0.885 173.488 174.700 -0.545 0.000 1.027 447 T CA -1.106 60.645 62.100 -0.581 0.000 0.988 447 T CB 1.647 70.057 68.868 -0.762 0.000 1.043 447 T HN 0.685 nan 8.240 nan 0.000 0.461 448 Q N 1.907 121.609 119.800 -0.164 0.000 2.305 448 Q HA 0.592 4.932 4.340 -0.000 0.000 0.271 448 Q C -1.257 174.692 176.000 -0.084 0.000 1.046 448 Q CA -0.709 54.950 55.803 -0.239 0.000 0.798 448 Q CB 2.801 31.299 28.738 -0.399 0.000 1.286 448 Q HN 0.727 nan 8.270 nan 0.000 0.435 449 I N 3.487 123.958 120.570 -0.166 0.000 2.521 449 I HA 0.360 4.530 4.170 -0.000 0.000 0.277 449 I C -0.493 175.532 176.117 -0.153 0.000 1.054 449 I CA -0.236 60.831 61.300 -0.387 0.000 1.117 449 I CB 0.527 38.185 38.000 -0.570 0.000 1.217 449 I HN 0.778 nan 8.210 nan 0.000 0.469 450 H N 3.765 122.646 119.070 -0.315 0.000 3.075 450 H HA 0.649 5.205 4.556 -0.000 0.000 0.263 450 H C -1.239 174.017 175.328 -0.120 0.000 1.549 450 H CA -1.334 54.606 56.048 -0.180 0.000 1.192 450 H CB 1.333 31.015 29.762 -0.134 0.000 1.898 450 H HN 0.099 nan 8.280 nan 0.000 0.696 451 R N 1.152 121.485 120.500 -0.279 0.000 2.502 451 R HA 0.303 4.643 4.340 -0.000 0.000 0.298 451 R C -1.558 174.562 176.300 -0.299 0.000 1.018 451 R CA -0.742 55.171 56.100 -0.311 0.000 0.899 451 R CB 1.796 32.048 30.300 -0.080 0.000 1.181 451 R HN 0.670 nan 8.270 nan 0.000 0.444 452 D N 1.150 121.339 120.400 -0.351 0.000 2.268 452 D HA 0.419 5.059 4.640 -0.000 0.000 0.249 452 D C -0.221 176.049 176.300 -0.050 0.000 1.008 452 D CA -0.454 53.452 54.000 -0.156 0.000 0.939 452 D CB 1.865 42.615 40.800 -0.084 0.000 1.170 452 D HN 0.544 nan 8.370 nan 0.000 0.468 453 A N 1.843 124.653 122.820 -0.017 0.000 2.566 453 A HA 0.181 4.501 4.320 -0.000 0.000 0.245 453 A C -0.581 177.022 177.584 0.032 0.000 1.056 453 A CA 0.566 52.624 52.037 0.036 0.000 0.757 453 A CB -0.439 18.622 19.000 0.103 0.000 0.979 453 A HN 0.394 nan 8.150 nan 0.000 0.508 454 F N 2.025 121.816 119.950 -0.265 0.000 2.563 454 F HA 0.526 5.053 4.527 -0.000 0.000 0.316 454 F C 0.388 175.827 175.800 -0.601 0.000 1.076 454 F CA -0.633 57.058 58.000 -0.515 0.000 0.921 454 F CB 2.215 40.708 39.000 -0.845 0.000 1.209 454 F HN 0.385 nan 8.300 nan 0.000 0.462 455 S N 4.953 119.800 115.700 -1.421 0.000 2.409 455 S HA 0.278 4.748 4.470 -0.000 0.000 0.308 455 S C -1.082 172.907 174.600 -1.019 0.000 1.080 455 S CA -0.392 57.220 58.200 -0.980 0.000 1.081 455 S CB -0.308 62.470 63.200 -0.702 0.000 1.009 455 S HN 0.498 nan 8.310 nan 0.000 0.502 456 W N 3.175 124.340 121.300 -0.225 0.000 2.287 456 W HA 0.472 5.132 4.660 -0.000 0.000 0.313 456 W C 1.219 177.728 176.519 -0.017 0.000 1.267 456 W CA -0.862 56.480 57.345 -0.003 0.000 1.201 456 W CB 0.439 29.967 29.460 0.113 0.000 1.196 456 W HN 0.744 nan 8.180 nan 0.000 0.536 457 G N 1.321 110.305 108.800 0.307 0.000 2.484 457 G HA2 0.250 4.210 3.960 -0.000 0.000 0.235 457 G HA3 0.250 4.210 3.960 -0.000 0.000 0.235 457 G C 0.988 176.001 174.900 0.189 0.000 1.282 457 G CA -0.003 45.211 45.100 0.190 0.000 0.857 457 G HN 0.816 nan 8.290 nan 0.000 0.571 458 A N 1.936 124.824 122.820 0.114 0.000 1.997 458 A HA -0.098 4.222 4.320 -0.000 0.000 0.221 458 A C 2.501 180.128 177.584 0.071 0.000 1.172 458 A CA 2.060 54.147 52.037 0.084 0.000 0.645 458 A CB -0.530 18.502 19.000 0.054 0.000 0.813 458 A HN 0.879 nan 8.150 nan 0.000 0.454 459 V N -0.118 119.844 119.914 0.081 0.000 2.407 459 V HA -0.236 3.884 4.120 -0.000 0.000 0.245 459 V C 2.417 178.546 176.094 0.058 0.000 1.041 459 V CA 2.306 64.643 62.300 0.061 0.000 1.040 459 V CB -0.561 31.299 31.823 0.062 0.000 0.671 459 V HN 0.757 nan 8.190 nan 0.000 0.455 460 Q N -0.960 118.912 119.800 0.121 0.000 2.291 460 Q HA -0.211 4.129 4.340 -0.000 0.000 0.206 460 Q C 2.054 177.987 176.000 -0.113 0.000 0.976 460 Q CA 1.108 56.970 55.803 0.098 0.000 0.875 460 Q CB -0.229 28.744 28.738 0.391 0.000 0.927 460 Q HN 0.594 nan 8.270 nan 0.000 0.450 461 Q N 0.120 119.882 119.800 -0.063 0.000 2.439 461 Q HA -0.079 4.261 4.340 -0.000 0.000 0.211 461 Q C 1.847 177.765 176.000 -0.138 0.000 0.978 461 Q CA 0.690 56.395 55.803 -0.165 0.000 0.897 461 Q CB -0.067 28.648 28.738 -0.039 0.000 0.956 461 Q HN 0.237 nan 8.270 nan 0.000 0.483 462 S N -0.227 115.422 115.700 -0.086 0.000 2.481 462 S HA -0.011 4.459 4.470 -0.000 0.000 0.231 462 S C 0.854 175.401 174.600 -0.087 0.000 0.996 462 S CA 0.096 58.258 58.200 -0.064 0.000 0.942 462 S CB 0.215 63.397 63.200 -0.031 0.000 0.768 462 S HN 0.126 nan 8.310 nan 0.000 0.520 463 I N 2.483 122.968 120.570 -0.140 0.000 2.353 463 I HA 0.285 4.455 4.170 -0.000 0.000 0.293 463 I C 0.219 176.223 176.117 -0.189 0.000 0.992 463 I CA -0.895 60.318 61.300 -0.145 0.000 1.268 463 I CB 0.936 38.851 38.000 -0.142 0.000 1.387 463 I HN 0.094 nan 8.210 nan 0.000 0.478 464 D N 4.209 124.541 120.400 -0.113 0.000 2.450 464 D HA -0.040 4.600 4.640 -0.000 0.000 0.247 464 D C 1.252 177.482 176.300 -0.115 0.000 1.162 464 D CA 0.172 54.121 54.000 -0.086 0.000 0.879 464 D CB 1.170 41.957 40.800 -0.022 0.000 1.163 464 D HN 0.645 nan 8.370 nan 0.000 0.472 465 S N 4.083 119.705 115.700 -0.129 0.000 2.469 465 S HA -0.173 4.297 4.470 -0.000 0.000 0.238 465 S C 1.585 176.179 174.600 -0.011 0.000 0.998 465 S CA 0.575 58.711 58.200 -0.107 0.000 0.957 465 S CB -0.046 63.135 63.200 -0.032 0.000 0.764 465 S HN 0.537 nan 8.310 nan 0.000 0.514 466 R N 0.682 121.178 120.500 -0.006 0.000 2.189 466 R HA 0.217 4.557 4.340 -0.000 0.000 0.223 466 R C 1.746 178.034 176.300 -0.020 0.000 1.092 466 R CA 0.986 57.081 56.100 -0.009 0.000 0.989 466 R CB -0.495 29.784 30.300 -0.036 0.000 0.876 466 R HN 0.449 nan 8.270 nan 0.000 0.457 467 L N 0.430 121.638 121.223 -0.025 0.000 2.492 467 L HA 0.120 4.460 4.340 -0.000 0.000 0.223 467 L C 0.684 177.561 176.870 0.012 0.000 1.132 467 L CA 0.264 55.096 54.840 -0.015 0.000 0.850 467 L CB 0.031 42.074 42.059 -0.027 0.000 0.966 467 L HN 0.070 nan 8.230 nan 0.000 0.454 468 I N 0.169 120.752 120.570 0.020 0.000 2.353 468 I HA 0.258 4.428 4.170 -0.000 0.000 0.293 468 I C -0.607 175.558 176.117 0.079 0.000 0.992 468 I CA -0.415 60.924 61.300 0.065 0.000 1.268 468 I CB 1.909 39.962 38.000 0.088 0.000 1.387 468 I HN -0.300 nan 8.210 nan 0.000 0.478 469 V N 4.978 124.953 119.914 0.101 0.000 2.638 469 V HA 0.295 4.415 4.120 -0.000 0.000 0.306 469 V C -0.750 175.368 176.094 0.040 0.000 1.052 469 V CA -0.857 61.460 62.300 0.030 0.000 0.885 469 V CB 2.079 33.911 31.823 0.015 0.000 0.999 469 V HN 0.590 nan 8.190 nan 0.000 0.424 470 D N 2.886 123.214 120.400 -0.120 0.000 2.302 470 D HA 0.425 5.065 4.640 -0.000 0.000 0.248 470 D C -0.927 175.322 176.300 -0.085 0.000 1.094 470 D CA 0.184 54.112 54.000 -0.120 0.000 0.897 470 D CB 1.184 41.841 40.800 -0.240 0.000 1.200 470 D HN 0.430 nan 8.370 nan 0.000 0.429 471 W N 1.241 122.462 121.300 -0.132 0.000 2.683 471 W HA 0.446 5.106 4.660 -0.000 0.000 0.329 471 W C 0.135 176.683 176.519 0.048 0.000 1.037 471 W CA -0.852 56.512 57.345 0.032 0.000 1.232 471 W CB 1.320 30.734 29.460 -0.078 0.000 1.390 471 W HN -0.065 nan 8.180 nan 0.000 0.465 472 R N 2.647 123.396 120.500 0.414 0.000 2.532 472 R HA 0.588 4.928 4.340 -0.000 0.000 0.297 472 R C -1.589 174.863 176.300 0.254 0.000 0.984 472 R CA -0.905 55.298 56.100 0.172 0.000 0.884 472 R CB 1.884 32.222 30.300 0.064 0.000 1.182 472 R HN 0.174 nan 8.270 nan 0.000 0.442 473 F N 2.825 122.590 119.950 -0.309 0.000 2.495 473 F HA 0.518 5.045 4.527 0.000 0.000 0.327 473 F C -0.474 175.178 175.800 -0.246 0.000 1.103 473 F CA -1.439 56.479 58.000 -0.136 0.000 0.949 473 F CB 1.197 40.066 39.000 -0.218 0.000 1.142 473 F HN 0.302 nan 8.300 nan 0.000 0.457 474 F N 1.177 121.308 119.950 0.301 0.000 2.493 474 F HA 0.658 5.185 4.527 -0.000 0.000 0.329 474 F C 0.651 176.653 175.800 0.336 0.000 1.126 474 F CA -1.271 56.905 58.000 0.294 0.000 0.937 474 F CB 1.404 40.627 39.000 0.372 0.000 1.146 474 F HN 0.533 nan 8.300 nan 0.000 0.442 475 G N 1.974 111.010 108.800 0.393 0.000 2.504 475 G HA2 0.567 4.527 3.960 -0.000 0.000 0.288 475 G HA3 0.567 4.527 3.960 -0.000 0.000 0.288 475 G C -0.688 174.403 174.900 0.319 0.000 1.182 475 G CA -1.019 44.299 45.100 0.364 0.000 0.894 475 G HN 0.729 nan 8.290 nan 0.000 0.521 476 R N -0.580 120.111 120.500 0.319 0.000 2.428 476 R HA 0.623 4.963 4.340 -0.000 0.000 0.294 476 R C -0.979 175.430 176.300 0.181 0.000 1.000 476 R CA -0.567 55.645 56.100 0.187 0.000 0.960 476 R CB 1.216 31.648 30.300 0.220 0.000 1.076 476 R HN 0.260 nan 8.270 nan 0.000 0.475 477 T N 2.274 116.904 114.554 0.128 0.000 2.792 477 T HA 0.157 4.507 4.350 -0.000 0.000 0.280 477 T C -0.633 174.158 174.700 0.151 0.000 0.990 477 T CA -0.695 61.529 62.100 0.207 0.000 0.960 477 T CB 1.320 70.378 68.868 0.317 0.000 0.939 477 T HN 0.531 nan 8.240 nan 0.000 0.439 478 E N 4.505 124.795 120.200 0.151 0.000 2.366 478 E HA 0.098 4.448 4.350 -0.000 0.000 0.266 478 E C -2.134 174.549 176.600 0.138 0.000 1.015 478 E CA -1.534 54.944 56.400 0.130 0.000 0.906 478 E CB 0.517 30.282 29.700 0.108 0.000 0.979 478 E HN 0.295 nan 8.360 nan 0.000 0.443 479 P HA 0.074 nan 4.420 nan 0.000 0.271 479 P C -0.814 176.613 177.300 0.212 0.000 1.233 479 P CA 0.175 63.414 63.100 0.231 0.000 0.764 479 P CB 0.595 32.471 31.700 0.294 0.000 0.825 480 K N 2.721 123.168 120.400 0.078 0.000 2.378 480 K HA 0.150 4.470 4.320 -0.000 0.000 0.252 480 K C 1.056 177.435 176.600 -0.367 0.000 0.931 480 K CA -0.675 55.567 56.287 -0.075 0.000 0.794 480 K CB 2.381 34.825 32.500 -0.092 0.000 1.181 480 K HN 0.464 nan 8.250 nan 0.000 0.425 481 E N 2.515 122.308 120.200 -0.679 0.000 2.130 481 E HA -0.232 4.118 4.350 -0.000 0.000 0.196 481 E C 0.973 177.316 176.600 -0.428 0.000 0.998 481 E CA 1.682 57.481 56.400 -1.001 0.000 0.806 481 E CB 0.383 29.692 29.700 -0.651 0.000 0.738 481 E HN 0.565 nan 8.360 nan 0.000 0.459 482 E N 0.385 120.432 120.200 -0.254 0.000 2.409 482 E HA -0.128 4.222 4.350 -0.000 0.000 0.198 482 E C -0.072 176.468 176.600 -0.100 0.000 1.024 482 E CA 0.381 56.694 56.400 -0.145 0.000 0.861 482 E CB -0.278 29.352 29.700 -0.117 0.000 0.788 482 E HN 0.107 nan 8.360 nan 0.000 0.521 483 N N 1.695 120.327 118.700 -0.113 0.000 2.419 483 N HA 0.231 4.971 4.740 -0.000 0.000 0.264 483 N C -0.826 174.750 175.510 0.111 0.000 1.031 483 N CA -0.049 52.992 53.050 -0.016 0.000 0.951 483 N CB 1.324 39.774 38.487 -0.062 0.000 1.101 483 N HN 0.074 nan 8.380 nan 0.000 0.488 484 K N 1.151 121.675 120.400 0.205 0.000 2.469 484 K HA 0.450 4.770 4.320 -0.000 0.000 0.254 484 K C -1.315 175.437 176.600 0.252 0.000 0.939 484 K CA -0.891 55.533 56.287 0.229 0.000 0.812 484 K CB 2.401 35.045 32.500 0.240 0.000 1.301 484 K HN 0.177 nan 8.250 nan 0.000 0.433 485 L N 4.142 125.457 121.223 0.153 0.000 2.316 485 L HA 0.554 4.894 4.340 -0.000 0.000 0.280 485 L C -1.319 175.453 176.870 -0.164 0.000 1.006 485 L CA -0.147 54.611 54.840 -0.137 0.000 0.836 485 L CB 0.501 42.503 42.059 -0.095 0.000 1.221 485 L HN 0.666 nan 8.230 nan 0.000 0.418 486 W N 3.694 124.702 121.300 -0.486 0.000 2.929 486 W HA 0.634 5.294 4.660 -0.000 0.000 0.345 486 W C -2.113 173.935 176.519 -0.784 0.000 1.151 486 W CA -1.219 55.880 57.345 -0.411 0.000 1.111 486 W CB 0.928 30.307 29.460 -0.135 0.000 1.449 486 W HN 0.318 nan 8.180 nan 0.000 0.572 487 F N 1.728 121.860 119.950 0.302 0.000 2.493 487 F HA 0.327 4.854 4.527 -0.000 0.000 0.329 487 F C 0.937 176.905 175.800 0.281 0.000 1.126 487 F CA -0.801 57.268 58.000 0.116 0.000 0.937 487 F CB 1.971 41.013 39.000 0.070 0.000 1.146 487 F HN 0.284 nan 8.300 nan 0.000 0.442 488 S N 1.015 116.862 115.700 0.246 0.000 2.573 488 S HA 0.047 4.517 4.470 -0.000 0.000 0.277 488 S C 0.762 175.509 174.600 0.244 0.000 1.346 488 S CA -0.313 58.067 58.200 0.301 0.000 1.034 488 S CB 0.425 63.709 63.200 0.139 0.000 0.879 488 S HN 0.701 nan 8.310 nan 0.000 0.528 489 D N 1.880 122.401 120.400 0.201 0.000 2.379 489 D HA 0.123 4.763 4.640 -0.000 0.000 0.208 489 D C 1.163 177.519 176.300 0.093 0.000 1.065 489 D CA 0.312 54.389 54.000 0.128 0.000 0.848 489 D CB 0.087 40.944 40.800 0.096 0.000 0.949 489 D HN 0.491 nan 8.370 nan 0.000 0.509 490 K N -0.182 120.278 120.400 0.100 0.000 2.273 490 K HA 0.130 4.450 4.320 -0.000 0.000 0.206 490 K C 0.141 176.782 176.600 0.067 0.000 1.072 490 K CA -0.075 56.256 56.287 0.073 0.000 0.953 490 K CB 0.592 33.136 32.500 0.072 0.000 1.043 490 K HN -0.069 nan 8.250 nan 0.000 0.477 491 I N 3.271 123.885 120.570 0.074 0.000 2.428 491 I HA 0.098 4.268 4.170 -0.000 0.000 0.289 491 I C 0.509 176.660 176.117 0.056 0.000 1.019 491 I CA -0.008 61.324 61.300 0.054 0.000 1.351 491 I CB 0.908 38.931 38.000 0.038 0.000 1.412 491 I HN 0.288 nan 8.210 nan 0.000 0.513 492 T N 1.388 115.971 114.554 0.049 0.000 2.924 492 T HA 0.622 4.972 4.350 -0.000 0.000 0.291 492 T C -0.381 174.354 174.700 0.057 0.000 1.045 492 T CA -0.878 61.257 62.100 0.059 0.000 1.015 492 T CB 2.456 71.353 68.868 0.048 0.000 1.103 492 T HN 0.541 nan 8.240 nan 0.000 0.496 493 D N 0.838 121.290 120.400 0.086 0.000 2.507 493 D HA 0.488 5.128 4.640 -0.000 0.000 0.280 493 D C 1.465 177.803 176.300 0.063 0.000 1.219 493 D CA -0.493 53.562 54.000 0.092 0.000 1.085 493 D CB -0.053 40.844 40.800 0.161 0.000 1.134 493 D HN 0.679 nan 8.370 nan 0.000 0.583 494 A N -1.630 121.216 122.820 0.044 0.000 2.209 494 A HA -0.023 4.297 4.320 -0.000 0.000 0.212 494 A C 0.729 178.124 177.584 -0.314 0.000 1.158 494 A CA 0.549 52.510 52.037 -0.127 0.000 0.742 494 A CB -0.895 17.997 19.000 -0.179 0.000 0.790 494 A HN 0.515 nan 8.150 nan 0.000 0.472 495 Y N -1.244 119.077 120.300 0.035 0.000 2.681 495 Y HA 0.221 4.771 4.550 0.000 0.000 0.267 495 Y C 0.840 176.756 175.900 0.027 0.000 1.166 495 Y CA -0.287 57.836 58.100 0.037 0.000 1.209 495 Y CB -0.064 38.408 38.460 0.019 0.000 1.161 495 Y HN 0.422 nan 8.280 nan 0.000 0.534 496 N N 0.430 119.186 118.700 0.093 0.000 2.735 496 N HA -0.180 4.560 4.740 -0.000 0.000 0.248 496 N C -0.867 174.680 175.510 0.062 0.000 1.083 496 N CA 0.595 53.675 53.050 0.050 0.000 0.703 496 N CB -0.624 37.868 38.487 0.007 0.000 1.005 496 N HN 0.126 nan 8.380 nan 0.000 0.550 497 M N -0.136 119.525 119.600 0.101 0.000 2.537 497 M HA 0.448 4.928 4.480 -0.000 0.000 0.324 497 M C -2.004 174.358 176.300 0.103 0.000 1.187 497 M CA -2.084 53.266 55.300 0.083 0.000 0.993 497 M CB 0.591 33.244 32.600 0.087 0.000 1.666 497 M HN -0.175 nan 8.290 nan 0.000 0.461 498 P HA -0.062 nan 4.420 nan 0.000 0.260 498 P C -0.534 176.912 177.300 0.243 0.000 1.172 498 P CA 0.232 63.430 63.100 0.162 0.000 0.760 498 P CB 0.164 31.974 31.700 0.184 0.000 0.773 499 Q N 7.080 126.969 119.800 0.147 0.000 2.286 499 Q HA 0.175 4.515 4.340 -0.000 0.000 0.267 499 Q C -2.257 173.699 176.000 -0.074 0.000 1.028 499 Q CA -2.029 53.810 55.803 0.059 0.000 0.901 499 Q CB -0.118 28.612 28.738 -0.014 0.000 1.183 499 Q HN 0.306 nan 8.270 nan 0.000 0.392 500 P HA 0.116 nan 4.420 nan 0.000 0.271 500 P C -1.032 175.788 177.300 -0.800 0.000 1.216 500 P CA -0.173 62.526 63.100 -0.670 0.000 0.776 500 P CB 1.051 32.468 31.700 -0.473 0.000 0.881 501 T N 2.826 116.666 114.554 -1.190 0.000 2.971 501 T HA 0.479 4.829 4.350 -0.000 0.000 0.304 501 T C -0.713 173.305 174.700 -1.136 0.000 1.038 501 T CA -0.100 61.308 62.100 -1.154 0.000 1.007 501 T CB 0.471 68.332 68.868 -1.678 0.000 1.055 501 T HN 0.073 nan 8.240 nan 0.000 0.451 502 F N 2.031 121.702 119.950 -0.465 0.000 2.422 502 F HA 0.540 5.067 4.527 -0.000 0.000 0.333 502 F C 0.540 176.284 175.800 -0.093 0.000 1.095 502 F CA -0.931 56.920 58.000 -0.249 0.000 1.038 502 F CB 1.249 40.154 39.000 -0.157 0.000 1.156 502 F HN 0.391 nan 8.300 nan 0.000 0.483 503 D N 3.608 124.171 120.400 0.271 0.000 2.440 503 D HA 0.274 4.914 4.640 -0.000 0.000 0.252 503 D C -1.802 174.639 176.300 0.236 0.000 1.180 503 D CA -0.132 54.020 54.000 0.254 0.000 0.894 503 D CB 0.531 41.510 40.800 0.299 0.000 1.111 503 D HN 0.295 nan 8.370 nan 0.000 0.544 504 F N 3.772 123.720 119.950 -0.004 0.000 2.604 504 F HA 0.533 5.060 4.527 -0.000 0.000 0.316 504 F C -1.519 174.173 175.800 -0.179 0.000 1.136 504 F CA -0.592 57.343 58.000 -0.109 0.000 0.989 504 F CB 1.255 40.138 39.000 -0.195 0.000 1.258 504 F HN 0.062 nan 8.300 nan 0.000 0.451 505 R N 4.383 124.286 120.500 -0.995 0.000 2.744 505 R HA 0.395 4.735 4.340 -0.000 0.000 0.279 505 R C -1.587 174.020 176.300 -1.155 0.000 0.977 505 R CA -0.986 54.661 56.100 -0.754 0.000 0.906 505 R CB 1.746 31.862 30.300 -0.306 0.000 1.197 505 R HN 0.593 nan 8.270 nan 0.000 0.463 506 F N 2.852 122.563 119.950 -0.399 0.000 2.571 506 F HA 0.164 4.691 4.527 -0.000 0.000 0.384 506 F C -1.347 174.331 175.800 -0.204 0.000 1.058 506 F CA -1.039 56.829 58.000 -0.220 0.000 1.200 506 F CB -0.142 38.855 39.000 -0.005 0.000 1.077 506 F HN 0.131 nan 8.300 nan 0.000 0.558 507 P HA 0.134 nan 4.420 nan 0.000 0.269 507 P C -0.609 176.702 177.300 0.019 0.000 1.209 507 P CA -0.159 62.916 63.100 -0.042 0.000 0.776 507 P CB 0.621 32.308 31.700 -0.021 0.000 0.876 508 A N 2.201 125.018 122.820 -0.004 0.000 2.327 508 A HA 0.598 4.918 4.320 -0.000 0.000 0.255 508 A C 1.022 178.620 177.584 0.023 0.000 1.099 508 A CA 0.744 52.786 52.037 0.008 0.000 0.801 508 A CB -0.898 18.099 19.000 -0.005 0.000 1.062 508 A HN 0.808 nan 8.150 nan 0.000 0.496 509 G N -0.156 108.660 108.800 0.027 0.000 2.513 509 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.227 509 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.227 509 G C 1.013 175.945 174.900 0.053 0.000 1.176 509 G CA 0.647 45.770 45.100 0.037 0.000 0.967 509 G HN 0.966 nan 8.290 nan 0.000 0.587 510 R N -0.180 120.358 120.500 0.064 0.000 2.083 510 R HA -0.097 4.243 4.340 -0.000 0.000 0.237 510 R C 2.813 179.175 176.300 0.103 0.000 1.137 510 R CA 2.797 58.946 56.100 0.082 0.000 0.951 510 R CB -0.970 29.380 30.300 0.083 0.000 0.851 510 R HN 0.630 nan 8.270 nan 0.000 0.434 511 T N 0.210 114.829 114.554 0.109 0.000 2.720 511 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 511 T C 1.938 176.702 174.700 0.106 0.000 1.037 511 T CA 1.848 64.030 62.100 0.137 0.000 1.144 511 T CB -0.176 68.794 68.868 0.169 0.000 0.864 511 T HN 0.295 nan 8.240 nan 0.000 0.444 512 S N 0.644 116.388 115.700 0.074 0.000 2.357 512 S HA -0.040 4.430 4.470 -0.000 0.000 0.221 512 S C 2.023 176.640 174.600 0.028 0.000 1.031 512 S CA 1.025 59.239 58.200 0.024 0.000 0.982 512 S CB -0.208 62.998 63.200 0.010 0.000 0.853 512 S HN 0.524 nan 8.310 nan 0.000 0.458 513 K N 1.401 121.833 120.400 0.054 0.000 2.063 513 K HA -0.145 4.175 4.320 -0.000 0.000 0.208 513 K C 1.919 178.587 176.600 0.114 0.000 1.048 513 K CA 1.485 57.814 56.287 0.069 0.000 0.928 513 K CB -0.132 32.411 32.500 0.072 0.000 0.713 513 K HN 0.361 nan 8.250 nan 0.000 0.442 514 E N -0.073 120.221 120.200 0.157 0.000 2.077 514 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 514 E C 1.990 178.702 176.600 0.186 0.000 0.989 514 E CA 1.055 57.619 56.400 0.273 0.000 0.800 514 E CB -0.120 29.764 29.700 0.306 0.000 0.746 514 E HN 0.472 nan 8.360 nan 0.000 0.452 515 A N 1.296 124.184 122.820 0.112 0.000 1.933 515 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 515 A C 2.049 179.696 177.584 0.105 0.000 1.175 515 A CA 1.661 53.750 52.037 0.086 0.000 0.628 515 A CB -0.315 18.703 19.000 0.030 0.000 0.814 515 A HN 0.124 nan 8.150 nan 0.000 0.444 516 E N 0.587 120.835 120.200 0.080 0.000 2.152 516 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 516 E C 1.144 177.722 176.600 -0.037 0.000 0.983 516 E CA 1.410 57.854 56.400 0.073 0.000 0.818 516 E CB -0.251 29.470 29.700 0.035 0.000 0.758 516 E HN 0.511 nan 8.360 nan 0.000 0.467 517 D N -0.266 120.114 120.400 -0.034 0.000 2.219 517 D HA -0.133 4.507 4.640 -0.000 0.000 0.205 517 D C 1.836 177.875 176.300 -0.435 0.000 0.970 517 D CA 0.952 54.924 54.000 -0.047 0.000 0.851 517 D CB -0.210 40.733 40.800 0.239 0.000 0.943 517 D HN 0.364 nan 8.370 nan 0.000 0.488 518 M N -0.354 118.781 119.600 -0.775 0.000 2.193 518 M HA -0.099 4.381 4.480 -0.000 0.000 0.265 518 M C 2.052 177.866 176.300 -0.809 0.000 1.071 518 M CA 0.898 55.326 55.300 -1.453 0.000 1.140 518 M CB 0.040 31.969 32.600 -1.119 0.000 1.369 518 M HN -0.095 nan 8.290 nan 0.000 0.423 519 M N 0.872 120.147 119.600 -0.542 0.000 2.082 519 M HA -0.187 4.293 4.480 -0.000 0.000 0.258 519 M C 1.752 177.811 176.300 -0.402 0.000 1.069 519 M CA 2.546 57.541 55.300 -0.508 0.000 1.102 519 M CB -0.951 31.435 32.600 -0.356 0.000 1.336 519 M HN 0.320 nan 8.290 nan 0.000 0.404 520 T N -0.057 114.339 114.554 -0.265 0.000 2.720 520 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 520 T C 1.476 176.080 174.700 -0.161 0.000 1.037 520 T CA 1.831 63.833 62.100 -0.163 0.000 1.144 520 T CB -0.639 68.184 68.868 -0.075 0.000 0.864 520 T HN 0.568 nan 8.240 nan 0.000 0.444 521 D N 0.492 120.784 120.400 -0.180 0.000 2.117 521 D HA -0.071 4.569 4.640 -0.000 0.000 0.197 521 D C 2.086 178.305 176.300 -0.135 0.000 0.987 521 D CA 0.918 54.916 54.000 -0.003 0.000 0.829 521 D CB -0.227 40.688 40.800 0.193 0.000 0.961 521 D HN 0.315 nan 8.370 nan 0.000 0.460 522 M N -0.467 118.761 119.600 -0.619 0.000 2.086 522 M HA -0.180 4.300 4.480 -0.000 0.000 0.261 522 M C 2.004 177.977 176.300 -0.545 0.000 1.067 522 M CA 1.447 56.135 55.300 -1.020 0.000 1.116 522 M CB -0.205 31.544 32.600 -1.417 0.000 1.348 522 M HN 0.194 nan 8.290 nan 0.000 0.407 523 C N -0.232 118.848 119.300 -0.368 0.000 2.413 523 C HA -0.122 4.338 4.460 -0.000 0.000 0.276 523 C C 2.675 177.574 174.990 -0.152 0.000 1.236 523 C CA 1.028 59.954 59.018 -0.153 0.000 1.735 523 C CB -1.062 26.636 27.740 -0.070 0.000 2.031 523 C HN 0.533 nan 8.230 nan 0.000 0.474 524 V N 0.614 120.461 119.914 -0.112 0.000 2.307 524 V HA -0.279 3.841 4.120 -0.000 0.000 0.245 524 V C 2.374 178.454 176.094 -0.023 0.000 1.045 524 V CA 2.274 64.546 62.300 -0.047 0.000 1.024 524 V CB -0.708 31.135 31.823 0.032 0.000 0.651 524 V HN 0.599 nan 8.190 nan 0.000 0.449 525 M N 0.925 120.551 119.600 0.045 0.000 2.156 525 M HA -0.146 4.334 4.480 -0.000 0.000 0.264 525 M C 2.466 178.712 176.300 -0.089 0.000 1.067 525 M CA 2.148 57.565 55.300 0.195 0.000 1.131 525 M CB -0.193 32.689 32.600 0.471 0.000 1.368 525 M HN 0.544 nan 8.290 nan 0.000 0.416 526 S N 0.677 115.999 115.700 -0.629 0.000 2.400 526 S HA -0.088 4.382 4.470 -0.000 0.000 0.232 526 S C 1.953 176.224 174.600 -0.548 0.000 1.025 526 S CA 1.066 58.495 58.200 -1.285 0.000 0.993 526 S CB -0.893 61.355 63.200 -1.587 0.000 0.808 526 S HN 0.584 nan 8.310 nan 0.000 0.478 527 A N 1.486 124.077 122.820 -0.381 0.000 2.178 527 A HA 0.067 4.387 4.320 -0.000 0.000 0.218 527 A C 2.093 179.572 177.584 -0.175 0.000 1.157 527 A CA 1.165 53.014 52.037 -0.312 0.000 0.689 527 A CB -0.451 18.387 19.000 -0.271 0.000 0.787 527 A HN 0.638 nan 8.150 nan 0.000 0.465 528 K N -0.764 119.580 120.400 -0.093 0.000 2.400 528 K HA 0.193 4.513 4.320 -0.000 0.000 0.194 528 K C 0.902 177.509 176.600 0.012 0.000 1.033 528 K CA 0.192 56.461 56.287 -0.030 0.000 1.021 528 K CB 0.222 32.728 32.500 0.010 0.000 0.808 528 K HN 0.365 nan 8.250 nan 0.000 0.505 529 I N -0.630 119.967 120.570 0.045 0.000 3.445 529 I HA 0.180 4.350 4.170 -0.000 0.000 0.288 529 I C 0.997 177.144 176.117 0.050 0.000 1.198 529 I CA 0.506 61.879 61.300 0.122 0.000 1.417 529 I CB 0.306 38.525 38.000 0.366 0.000 1.205 529 I HN 0.059 nan 8.210 nan 0.000 0.448 530 G N -0.519 108.261 108.800 -0.033 0.000 2.368 530 G HA2 0.452 4.412 3.960 -0.000 0.000 0.293 530 G HA3 0.452 4.412 3.960 -0.000 0.000 0.293 530 G C -0.527 174.240 174.900 -0.222 0.000 1.467 530 G CA -0.180 44.870 45.100 -0.084 0.000 0.804 530 G HN 0.259 nan 8.290 nan 0.000 0.535 531 G N -1.058 107.599 108.800 -0.238 0.000 2.634 531 G HA2 0.524 4.484 3.960 -0.000 0.000 0.255 531 G HA3 0.524 4.484 3.960 -0.000 0.000 0.255 531 G C -0.173 174.534 174.900 -0.321 0.000 1.205 531 G CA -0.452 44.413 45.100 -0.392 0.000 0.884 531 G HN 0.462 nan 8.290 nan 0.000 0.549 532 F N -0.909 118.954 119.950 -0.145 0.000 2.496 532 F HA 0.254 4.781 4.527 -0.000 0.000 0.344 532 F C 0.678 176.425 175.800 -0.088 0.000 1.155 532 F CA -0.831 57.078 58.000 -0.151 0.000 1.302 532 F CB 0.647 39.547 39.000 -0.166 0.000 1.159 532 F HN 0.186 nan 8.300 nan 0.000 0.595 533 L N 5.162 126.464 121.223 0.132 0.000 2.319 533 L HA 0.435 4.775 4.340 -0.000 0.000 0.280 533 L C -2.489 174.441 176.870 0.099 0.000 1.099 533 L CA -1.928 52.967 54.840 0.092 0.000 0.828 533 L CB 0.183 42.302 42.059 0.100 0.000 1.150 533 L HN 0.271 nan 8.230 nan 0.000 0.442 534 P HA 0.237 nan 4.420 nan 0.000 0.266 534 P C 0.521 177.887 177.300 0.109 0.000 1.195 534 P CA 0.928 64.077 63.100 0.081 0.000 0.768 534 P CB 0.772 32.509 31.700 0.062 0.000 0.838 535 G N 1.578 110.438 108.800 0.099 0.000 2.179 535 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.260 535 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.260 535 G C 0.501 175.502 174.900 0.169 0.000 0.977 535 G CA 0.290 45.471 45.100 0.136 0.000 0.641 535 G HN 0.521 nan 8.290 nan 0.000 0.533 536 S N 0.402 116.170 115.700 0.113 0.000 2.694 536 S HA 0.461 4.931 4.470 -0.000 0.000 0.232 536 S C 0.438 174.960 174.600 -0.130 0.000 1.017 536 S CA -0.568 57.681 58.200 0.081 0.000 1.139 536 S CB 0.217 63.461 63.200 0.074 0.000 1.247 536 S HN 0.472 nan 8.310 nan 0.000 0.452 537 L N 1.989 123.130 121.223 -0.136 0.000 2.453 537 L HA 0.368 4.708 4.340 -0.000 0.000 0.261 537 L C -2.305 174.306 176.870 -0.432 0.000 1.179 537 L CA -2.277 52.356 54.840 -0.345 0.000 0.813 537 L CB -0.198 41.730 42.059 -0.219 0.000 1.110 537 L HN 0.006 nan 8.230 nan 0.000 0.466 538 P HA -0.005 nan 4.420 nan 0.000 0.261 538 P C -1.238 175.842 177.300 -0.368 0.000 1.183 538 P CA 0.198 62.924 63.100 -0.623 0.000 0.761 538 P CB 0.338 31.568 31.700 -0.784 0.000 0.785 539 Q N 1.895 121.514 119.800 -0.302 0.000 2.479 539 Q HA 0.420 4.760 4.340 -0.000 0.000 0.276 539 Q C -1.512 174.345 176.000 -0.239 0.000 0.989 539 Q CA -0.817 54.889 55.803 -0.161 0.000 0.864 539 Q CB 0.536 29.253 28.738 -0.036 0.000 1.444 539 Q HN 0.082 nan 8.270 nan 0.000 0.388 540 F N 1.685 121.575 119.950 -0.100 0.000 2.429 540 F HA 0.310 4.837 4.527 -0.000 0.000 0.348 540 F C 0.716 176.476 175.800 -0.065 0.000 1.109 540 F CA -0.275 57.664 58.000 -0.101 0.000 1.232 540 F CB 0.848 39.777 39.000 -0.119 0.000 1.157 540 F HN 0.415 nan 8.300 nan 0.000 0.564 541 M N 1.203 120.840 119.600 0.061 0.000 2.267 541 M HA 0.155 4.635 4.480 -0.000 0.000 0.303 541 M C 0.199 176.530 176.300 0.052 0.000 1.164 541 M CA -0.637 54.670 55.300 0.012 0.000 1.060 541 M CB 0.459 33.021 32.600 -0.063 0.000 1.455 541 M HN 0.555 nan 8.290 nan 0.000 0.483 542 E N 2.541 122.747 120.200 0.009 0.000 2.465 542 E HA 0.041 4.391 4.350 -0.000 0.000 0.260 542 E C -2.130 174.482 176.600 0.021 0.000 0.980 542 E CA -1.368 55.039 56.400 0.010 0.000 0.927 542 E CB 0.426 30.110 29.700 -0.027 0.000 0.934 542 E HN 0.153 nan 8.360 nan 0.000 0.459 543 P HA 0.025 nan 4.420 nan 0.000 0.263 543 P C 0.392 177.620 177.300 -0.120 0.000 1.195 543 P CA 0.861 63.993 63.100 0.053 0.000 0.762 543 P CB 0.657 32.396 31.700 0.065 0.000 0.799 544 G N 2.992 111.724 108.800 -0.112 0.000 2.199 544 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.254 544 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.254 544 G C 0.806 175.660 174.900 -0.076 0.000 0.982 544 G CA 0.278 45.281 45.100 -0.163 0.000 0.632 544 G HN 0.559 nan 8.290 nan 0.000 0.529 545 L N 0.467 121.659 121.223 -0.052 0.000 2.129 545 L HA 0.037 4.377 4.340 -0.000 0.000 0.212 545 L C 2.705 179.560 176.870 -0.026 0.000 1.087 545 L CA 2.381 57.195 54.840 -0.044 0.000 0.757 545 L CB -0.142 41.882 42.059 -0.059 0.000 0.896 545 L HN 0.368 nan 8.230 nan 0.000 0.434 546 V N 0.044 119.946 119.914 -0.021 0.000 2.667 546 V HA -0.127 3.993 4.120 -0.000 0.000 0.252 546 V C 1.550 177.595 176.094 -0.083 0.000 1.065 546 V CA 1.219 63.489 62.300 -0.051 0.000 1.083 546 V CB -0.261 31.556 31.823 -0.010 0.000 0.692 546 V HN 0.513 nan 8.190 nan 0.000 0.468 547 L N 0.246 121.490 121.223 0.035 0.000 3.598 547 L HA -0.225 4.115 4.340 -0.000 0.000 0.422 547 L C 0.302 177.380 176.870 0.346 0.000 1.262 547 L CA 0.772 55.699 54.840 0.145 0.000 0.889 547 L CB -2.331 39.827 42.059 0.165 0.000 1.857 547 L HN 0.559 nan 8.230 nan 0.000 0.858 548 H N -0.705 118.469 119.070 0.173 0.000 2.467 548 H HA 0.243 4.799 4.556 -0.000 0.000 0.275 548 H C 0.521 175.992 175.328 0.240 0.000 1.131 548 H CA -1.008 55.182 56.048 0.236 0.000 0.989 548 H CB 0.765 30.688 29.762 0.269 0.000 1.696 548 H HN 0.177 nan 8.280 nan 0.000 0.574 549 L N 1.763 123.143 121.223 0.263 0.000 2.490 549 L HA 0.240 4.580 4.340 -0.000 0.000 0.274 549 L C 0.587 177.603 176.870 0.243 0.000 1.201 549 L CA 0.848 55.799 54.840 0.184 0.000 0.869 549 L CB 0.412 42.545 42.059 0.124 0.000 1.123 549 L HN 0.302 nan 8.230 nan 0.000 0.484 550 G N 1.566 110.519 108.800 0.255 0.000 2.727 550 G HA2 0.528 4.488 3.960 -0.000 0.000 0.289 550 G HA3 0.528 4.488 3.960 -0.000 0.000 0.289 550 G C 0.216 175.226 174.900 0.183 0.000 1.418 550 G CA -0.200 45.044 45.100 0.238 0.000 0.818 550 G HN 1.309 nan 8.290 nan 0.000 0.486 551 G N -1.351 107.515 108.800 0.110 0.000 2.168 551 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.263 551 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.263 551 G C 1.337 176.302 174.900 0.108 0.000 0.977 551 G CA 1.663 46.834 45.100 0.117 0.000 0.659 551 G HN 1.971 nan 8.290 nan 0.000 0.533 552 T N -2.151 112.428 114.554 0.043 0.000 3.035 552 T HA 0.159 4.509 4.350 -0.000 0.000 0.268 552 T C 1.015 175.811 174.700 0.159 0.000 1.109 552 T CA 1.817 63.988 62.100 0.118 0.000 1.119 552 T CB -0.275 68.681 68.868 0.147 0.000 0.900 552 T HN 1.606 nan 8.240 nan 0.000 0.503 553 H N -0.420 118.720 119.070 0.116 0.000 2.806 553 H HA 0.436 4.992 4.556 -0.000 0.000 0.218 553 H C -0.213 175.150 175.328 0.058 0.000 1.392 553 H CA -1.309 54.783 56.048 0.073 0.000 1.358 553 H CB -0.321 29.450 29.762 0.015 0.000 1.944 553 H HN 0.346 nan 8.280 nan 0.000 0.530 554 R N 0.951 121.505 120.500 0.090 0.000 2.531 554 R HA 0.408 4.748 4.340 -0.000 0.000 0.273 554 R C -0.274 176.065 176.300 0.065 0.000 1.070 554 R CA -0.858 55.268 56.100 0.043 0.000 1.112 554 R CB 1.217 31.545 30.300 0.047 0.000 1.049 554 R HN 0.488 nan 8.270 nan 0.000 0.508 555 M N 0.953 120.568 119.600 0.025 0.000 2.291 555 M HA 0.509 4.989 4.480 -0.000 0.000 0.324 555 M C -0.553 175.730 176.300 -0.030 0.000 1.148 555 M CA 0.224 55.518 55.300 -0.009 0.000 1.104 555 M CB 1.720 34.287 32.600 -0.054 0.000 1.483 555 M HN 0.920 nan 8.290 nan 0.000 0.467 556 G N 1.684 110.457 108.800 -0.045 0.000 2.466 556 G HA2 0.385 4.345 3.960 -0.000 0.000 0.291 556 G HA3 0.385 4.345 3.960 -0.000 0.000 0.291 556 G C -1.054 173.832 174.900 -0.022 0.000 1.460 556 G CA -0.724 44.334 45.100 -0.069 0.000 0.791 556 G HN 0.682 nan 8.290 nan 0.000 0.505 557 F N 0.005 120.049 119.950 0.157 0.000 2.234 557 F HA 0.267 4.794 4.527 -0.000 0.000 0.296 557 F C 1.193 177.114 175.800 0.202 0.000 1.089 557 F CA 1.047 59.139 58.000 0.154 0.000 1.343 557 F CB 0.630 39.682 39.000 0.088 0.000 1.040 557 F HN 0.351 nan 8.300 nan 0.000 0.498 558 D N -0.603 119.967 120.400 0.282 0.000 2.936 558 D HA 0.058 4.698 4.640 -0.000 0.000 0.238 558 D C 0.638 176.787 176.300 -0.251 0.000 1.248 558 D CA -0.082 53.931 54.000 0.021 0.000 0.903 558 D CB 1.728 42.550 40.800 0.035 0.000 1.544 558 D HN 0.144 nan 8.370 nan 0.000 0.543 559 E N 3.303 122.961 120.200 -0.903 0.000 2.068 559 E HA -0.290 4.060 4.350 -0.000 0.000 0.207 559 E C 1.511 177.933 176.600 -0.297 0.000 1.032 559 E CA 1.810 57.718 56.400 -0.819 0.000 0.839 559 E CB 0.276 29.379 29.700 -0.995 0.000 0.758 559 E HN 0.441 nan 8.360 nan 0.000 0.457 560 K N -0.059 120.210 120.400 -0.219 0.000 2.007 560 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 560 K C 2.046 178.609 176.600 -0.061 0.000 1.047 560 K CA 1.615 57.842 56.287 -0.100 0.000 0.937 560 K CB 0.034 32.491 32.500 -0.071 0.000 0.718 560 K HN 0.039 nan 8.250 nan 0.000 0.438 561 E N 0.286 120.456 120.200 -0.050 0.000 2.274 561 E HA -0.078 4.272 4.350 -0.000 0.000 0.194 561 E C 0.269 176.866 176.600 -0.005 0.000 0.996 561 E CA 0.886 57.280 56.400 -0.011 0.000 0.840 561 E CB 0.343 30.046 29.700 0.005 0.000 0.772 561 E HN 0.318 nan 8.360 nan 0.000 0.491 562 D N 0.238 120.625 120.400 -0.023 0.000 2.501 562 D HA 0.075 4.715 4.640 -0.000 0.000 0.226 562 D C -0.771 175.452 176.300 -0.128 0.000 1.198 562 D CA -0.109 53.871 54.000 -0.033 0.000 0.830 562 D CB 0.158 40.975 40.800 0.029 0.000 1.014 562 D HN 0.086 nan 8.370 nan 0.000 0.496 563 N N 1.097 119.710 118.700 -0.145 0.000 2.678 563 N HA -0.203 4.537 4.740 -0.000 0.000 0.268 563 N C -0.189 175.192 175.510 -0.215 0.000 1.010 563 N CA 0.611 53.530 53.050 -0.219 0.000 0.784 563 N CB -1.304 36.885 38.487 -0.496 0.000 0.905 563 N HN 0.442 nan 8.380 nan 0.000 0.552 564 C N -3.373 115.896 119.300 -0.052 0.000 3.318 564 C HA 0.776 5.236 4.460 -0.000 0.000 0.329 564 C C 1.256 176.397 174.990 0.251 0.000 1.449 564 C CA -0.675 58.390 59.018 0.079 0.000 1.397 564 C CB 1.544 29.353 27.740 0.114 0.000 1.810 564 C HN 0.491 nan 8.230 nan 0.000 0.449 565 C N 0.235 119.732 119.300 0.327 0.000 3.294 565 C HA 0.508 4.968 4.460 -0.000 0.000 0.441 565 C C 0.588 175.706 174.990 0.213 0.000 1.364 565 C CA 0.611 59.821 59.018 0.321 0.000 2.059 565 C CB -0.273 27.576 27.740 0.182 0.000 2.925 565 C HN 0.992 nan 8.230 nan 0.000 0.633 566 V N 1.476 121.397 119.914 0.012 0.000 2.876 566 V HA 0.705 4.825 4.120 -0.000 0.000 0.312 566 V C -0.723 175.028 176.094 -0.571 0.000 1.085 566 V CA -0.646 61.418 62.300 -0.393 0.000 0.945 566 V CB 1.459 33.182 31.823 -0.167 0.000 1.017 566 V HN 0.441 nan 8.190 nan 0.000 0.428 567 N N 1.330 119.507 118.700 -0.872 0.000 2.381 567 N HA 0.252 4.992 4.740 -0.000 0.000 0.289 567 N C 1.115 176.478 175.510 -0.244 0.000 1.288 567 N CA 0.252 53.042 53.050 -0.434 0.000 0.960 567 N CB -0.351 37.928 38.487 -0.347 0.000 1.116 567 N HN 0.905 nan 8.380 nan 0.000 0.557 568 T N -4.968 109.482 114.554 -0.174 0.000 3.113 568 T HA 0.014 4.364 4.350 -0.000 0.000 0.263 568 T C 0.007 174.620 174.700 -0.145 0.000 1.143 568 T CA 0.554 62.554 62.100 -0.167 0.000 1.090 568 T CB -0.463 68.324 68.868 -0.136 0.000 0.922 568 T HN 0.437 nan 8.240 nan 0.000 0.521 569 D N 1.396 121.699 120.400 -0.161 0.000 2.342 569 D HA 0.168 4.808 4.640 -0.000 0.000 0.221 569 D C 0.430 176.722 176.300 -0.014 0.000 1.101 569 D CA 0.086 54.005 54.000 -0.135 0.000 0.837 569 D CB 0.068 40.656 40.800 -0.353 0.000 0.938 569 D HN 0.382 nan 8.370 nan 0.000 0.508 570 S N 0.443 116.115 115.700 -0.046 0.000 3.533 570 S HA -0.285 4.185 4.470 -0.000 0.000 0.347 570 S C 0.565 175.208 174.600 0.072 0.000 1.101 570 S CA 0.421 58.637 58.200 0.026 0.000 1.009 570 S CB -1.548 61.730 63.200 0.129 0.000 0.916 570 S HN 0.460 nan 8.310 nan 0.000 0.496 571 R N 1.002 121.426 120.500 -0.126 0.000 2.265 571 R HA 0.435 4.775 4.340 -0.000 0.000 0.314 571 R C 0.028 176.040 176.300 -0.480 0.000 1.053 571 R CA -0.448 55.406 56.100 -0.410 0.000 0.931 571 R CB 0.645 30.683 30.300 -0.437 0.000 1.024 571 R HN 0.178 nan 8.270 nan 0.000 0.457 572 V N 6.202 125.857 119.914 -0.430 0.000 2.540 572 V HA -0.031 4.089 4.120 -0.000 0.000 0.297 572 V C 0.203 176.237 176.094 -0.099 0.000 1.024 572 V CA 0.357 62.482 62.300 -0.291 0.000 1.105 572 V CB -0.113 31.507 31.823 -0.339 0.000 0.938 572 V HN 0.556 nan 8.190 nan 0.000 0.482 573 F N 3.599 123.590 119.950 0.068 0.000 2.578 573 F HA 0.433 4.960 4.527 -0.000 0.000 0.381 573 F C 1.494 177.431 175.800 0.227 0.000 1.069 573 F CA 1.306 59.374 58.000 0.112 0.000 1.231 573 F CB 0.205 39.262 39.000 0.096 0.000 1.086 573 F HN 0.796 nan 8.300 nan 0.000 0.564 574 G N 2.390 111.380 108.800 0.316 0.000 2.157 574 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.248 574 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.248 574 G C -0.368 174.520 174.900 -0.020 0.000 0.979 574 G CA -0.597 44.602 45.100 0.165 0.000 0.650 574 G HN 0.440 nan 8.290 nan 0.000 0.529 575 F N 0.254 120.232 119.950 0.046 0.000 2.493 575 F HA 0.563 5.090 4.527 -0.000 0.000 0.329 575 F C 1.275 177.064 175.800 -0.018 0.000 1.126 575 F CA -1.092 56.921 58.000 0.021 0.000 0.937 575 F CB 1.704 40.711 39.000 0.011 0.000 1.146 575 F HN -0.205 nan 8.300 nan 0.000 0.442 576 K N 1.524 122.022 120.400 0.163 0.000 2.148 576 K HA -0.080 4.240 4.320 -0.000 0.000 0.204 576 K C 0.668 177.456 176.600 0.313 0.000 1.050 576 K CA 1.197 57.621 56.287 0.228 0.000 0.942 576 K CB 0.060 32.709 32.500 0.248 0.000 0.724 576 K HN 0.667 nan 8.250 nan 0.000 0.446 577 N N 0.024 118.857 118.700 0.222 0.000 2.466 577 N HA 0.035 4.775 4.740 -0.000 0.000 0.272 577 N C -0.887 174.658 175.510 0.059 0.000 1.455 577 N CA -0.317 52.868 53.050 0.226 0.000 0.875 577 N CB -0.129 38.563 38.487 0.342 0.000 1.372 577 N HN -0.071 nan 8.380 nan 0.000 0.492 578 L N 0.512 121.553 121.223 -0.304 0.000 2.362 578 L HA 0.743 5.083 4.340 -0.000 0.000 0.275 578 L C -1.792 174.627 176.870 -0.751 0.000 0.998 578 L CA -0.516 54.123 54.840 -0.334 0.000 0.820 578 L CB 1.142 43.017 42.059 -0.307 0.000 1.270 578 L HN 0.004 nan 8.230 nan 0.000 0.415 579 F N 4.598 124.456 119.950 -0.154 0.000 2.576 579 F HA 0.666 5.193 4.527 -0.000 0.000 0.313 579 F C -0.781 174.868 175.800 -0.252 0.000 1.078 579 F CA -0.690 57.207 58.000 -0.173 0.000 0.921 579 F CB 1.943 40.871 39.000 -0.121 0.000 1.232 579 F HN 0.174 nan 8.300 nan 0.000 0.459 580 L N 1.849 123.046 121.223 -0.042 0.000 2.362 580 L HA 0.846 5.186 4.340 -0.000 0.000 0.275 580 L C -0.079 176.823 176.870 0.053 0.000 0.998 580 L CA -0.801 53.952 54.840 -0.145 0.000 0.820 580 L CB 1.893 43.742 42.059 -0.349 0.000 1.270 580 L HN 0.781 nan 8.230 nan 0.000 0.415 581 G N 0.748 109.582 108.800 0.056 0.000 2.513 581 G HA2 0.791 4.751 3.960 -0.000 0.000 0.317 581 G HA3 0.791 4.751 3.960 -0.000 0.000 0.317 581 G C -0.447 174.569 174.900 0.193 0.000 1.277 581 G CA -0.342 44.888 45.100 0.216 0.000 0.955 581 G HN 0.949 nan 8.290 nan 0.000 0.484 582 G N -0.848 108.058 108.800 0.176 0.000 2.351 582 G HA2 0.105 4.065 3.960 -0.000 0.000 0.353 582 G HA3 0.105 4.065 3.960 -0.000 0.000 0.353 582 G C 0.735 175.669 174.900 0.055 0.000 1.358 582 G CA 0.009 45.184 45.100 0.125 0.000 0.995 582 G HN 1.105 nan 8.290 nan 0.000 0.611 583 C N 0.399 119.712 119.300 0.022 0.000 2.401 583 C HA 0.111 4.571 4.460 -0.000 0.000 0.286 583 C C 3.023 177.976 174.990 -0.062 0.000 1.332 583 C CA 1.875 60.881 59.018 -0.020 0.000 1.795 583 C CB -1.330 26.436 27.740 0.044 0.000 1.922 583 C HN 1.278 nan 8.230 nan 0.000 0.520 584 G N 0.978 109.671 108.800 -0.179 0.000 2.470 584 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.220 584 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.220 584 G C 1.426 175.933 174.900 -0.654 0.000 1.121 584 G CA 0.727 45.493 45.100 -0.557 0.000 0.766 584 G HN 0.561 nan 8.290 nan 0.000 0.553 585 N N 0.408 118.898 118.700 -0.350 0.000 2.270 585 N HA 0.018 4.758 4.740 -0.000 0.000 0.181 585 N C 0.978 176.465 175.510 -0.038 0.000 1.016 585 N CA 0.145 53.142 53.050 -0.089 0.000 0.870 585 N CB -0.020 38.490 38.487 0.038 0.000 0.979 585 N HN 0.303 nan 8.380 nan 0.000 0.431 586 I N 3.267 123.815 120.570 -0.037 0.000 2.581 586 I HA 0.005 4.175 4.170 -0.000 0.000 0.285 586 I C -1.220 174.960 176.117 0.105 0.000 1.129 586 I CA -0.907 60.399 61.300 0.010 0.000 1.397 586 I CB 1.001 38.935 38.000 -0.110 0.000 1.399 586 I HN -0.017 nan 8.210 nan 0.000 0.537 587 P HA 0.013 nan 4.420 nan 0.000 0.245 587 P C 0.460 177.855 177.300 0.157 0.000 1.203 587 P CA 0.401 63.564 63.100 0.105 0.000 0.792 587 P CB 0.093 31.817 31.700 0.040 0.000 0.997 588 T N -1.960 112.715 114.554 0.202 0.000 2.862 588 T HA 0.633 4.983 4.350 -0.000 0.000 0.276 588 T C 0.280 175.149 174.700 0.282 0.000 0.974 588 T CA -0.821 61.403 62.100 0.206 0.000 0.966 588 T CB 0.847 69.813 68.868 0.162 0.000 1.072 588 T HN 0.073 nan 8.240 nan 0.000 0.538 589 A N 1.846 124.761 122.820 0.157 0.000 2.310 589 A HA 0.595 4.915 4.320 -0.000 0.000 0.300 589 A C -0.706 176.867 177.584 -0.018 0.000 1.269 589 A CA -0.859 51.221 52.037 0.071 0.000 0.909 589 A CB -0.938 18.111 19.000 0.081 0.000 1.144 589 A HN 0.866 nan 8.150 nan 0.000 0.540 590 Y N -0.108 120.121 120.300 -0.118 0.000 2.442 590 Y HA 0.691 5.241 4.550 -0.000 0.000 0.344 590 Y C 0.705 176.505 175.900 -0.166 0.000 0.976 590 Y CA -0.778 57.065 58.100 -0.429 0.000 1.040 590 Y CB 1.240 39.242 38.460 -0.764 0.000 1.228 590 Y HN 0.382 nan 8.280 nan 0.000 0.451 591 G N 1.245 109.977 108.800 -0.113 0.000 2.490 591 G HA2 0.323 4.283 3.960 -0.000 0.000 0.211 591 G HA3 0.323 4.283 3.960 -0.000 0.000 0.211 591 G C 0.587 175.591 174.900 0.174 0.000 1.159 591 G CA 0.185 45.422 45.100 0.228 0.000 0.819 591 G HN 0.981 nan 8.290 nan 0.000 0.539 592 A N 0.818 123.581 122.820 -0.095 0.000 2.448 592 A HA 0.386 4.706 4.320 -0.000 0.000 0.239 592 A C 0.026 177.514 177.584 -0.159 0.000 1.080 592 A CA -0.338 51.520 52.037 -0.298 0.000 0.779 592 A CB -0.044 18.777 19.000 -0.299 0.000 1.026 592 A HN 0.408 nan 8.150 nan 0.000 0.499 593 N N 2.015 120.474 118.700 -0.402 0.000 2.483 593 N HA 0.264 5.004 4.740 -0.000 0.000 0.264 593 N C -2.064 173.376 175.510 -0.117 0.000 1.197 593 N CA -0.927 51.897 53.050 -0.377 0.000 0.927 593 N CB 0.413 38.745 38.487 -0.258 0.000 1.065 593 N HN 0.422 nan 8.380 nan 0.000 0.461 594 P HA 0.070 nan 4.420 nan 0.000 0.267 594 P C 0.270 177.466 177.300 -0.173 0.000 1.289 594 P CA 0.321 63.317 63.100 -0.172 0.000 0.866 594 P CB 0.411 31.980 31.700 -0.217 0.000 1.309 595 T N 0.912 115.444 114.554 -0.036 0.000 2.788 595 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 595 T C 1.753 176.532 174.700 0.132 0.000 1.044 595 T CA 0.906 63.039 62.100 0.056 0.000 1.139 595 T CB -0.730 68.208 68.868 0.117 0.000 0.867 595 T HN 0.011 nan 8.240 nan 0.000 0.454 596 L N 1.105 122.423 121.223 0.159 0.000 2.083 596 L HA -0.090 4.250 4.340 -0.000 0.000 0.209 596 L C 2.529 179.493 176.870 0.157 0.000 1.083 596 L CA 1.695 56.674 54.840 0.232 0.000 0.752 596 L CB -1.005 41.163 42.059 0.182 0.000 0.899 596 L HN 0.188 nan 8.230 nan 0.000 0.433 597 T N -0.463 114.052 114.554 -0.066 0.000 2.708 597 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 597 T C 1.902 176.535 174.700 -0.113 0.000 1.037 597 T CA 1.264 63.253 62.100 -0.185 0.000 1.146 597 T CB -0.497 67.813 68.868 -0.930 0.000 0.865 597 T HN 0.509 nan 8.240 nan 0.000 0.435 598 A N 1.367 124.112 122.820 -0.125 0.000 1.978 598 A HA -0.071 4.249 4.320 -0.000 0.000 0.220 598 A C 2.289 179.849 177.584 -0.041 0.000 1.170 598 A CA 1.807 53.806 52.037 -0.064 0.000 0.636 598 A CB -0.688 18.290 19.000 -0.037 0.000 0.810 598 A HN 0.550 nan 8.150 nan 0.000 0.448 599 M N -0.712 118.877 119.600 -0.018 0.000 2.156 599 M HA -0.092 4.388 4.480 -0.000 0.000 0.264 599 M C 2.098 178.335 176.300 -0.105 0.000 1.067 599 M CA 1.895 57.161 55.300 -0.057 0.000 1.131 599 M CB -0.115 32.456 32.600 -0.047 0.000 1.368 599 M HN 0.330 nan 8.290 nan 0.000 0.416 600 S N 1.296 116.949 115.700 -0.078 0.000 2.387 600 S HA -0.154 4.316 4.470 -0.000 0.000 0.230 600 S C 1.729 176.164 174.600 -0.275 0.000 1.035 600 S CA 1.489 59.580 58.200 -0.182 0.000 1.014 600 S CB -0.516 62.552 63.200 -0.220 0.000 0.836 600 S HN 0.500 nan 8.310 nan 0.000 0.466 601 L N 0.858 121.954 121.223 -0.212 0.000 2.072 601 L HA -0.016 4.324 4.340 -0.000 0.000 0.205 601 L C 2.727 179.465 176.870 -0.220 0.000 1.079 601 L CA 1.021 55.724 54.840 -0.229 0.000 0.752 601 L CB -0.648 41.340 42.059 -0.117 0.000 0.906 601 L HN 0.295 nan 8.230 nan 0.000 0.436 602 A N 0.133 122.824 122.820 -0.214 0.000 2.024 602 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 602 A C 2.212 179.477 177.584 -0.531 0.000 1.164 602 A CA 1.546 53.332 52.037 -0.419 0.000 0.643 602 A CB -0.675 18.072 19.000 -0.421 0.000 0.806 602 A HN 0.406 nan 8.150 nan 0.000 0.451 603 I N -1.149 119.214 120.570 -0.346 0.000 2.333 603 I HA -0.167 4.003 4.170 -0.000 0.000 0.246 603 I C 2.419 178.373 176.117 -0.271 0.000 1.106 603 I CA 1.501 62.625 61.300 -0.293 0.000 1.411 603 I CB -0.171 37.685 38.000 -0.240 0.000 1.082 603 I HN 0.327 nan 8.210 nan 0.000 0.420 604 K N 0.517 120.752 120.400 -0.274 0.000 2.152 604 K HA -0.205 4.115 4.320 -0.000 0.000 0.206 604 K C 2.268 178.768 176.600 -0.166 0.000 1.048 604 K CA 1.694 57.845 56.287 -0.226 0.000 0.933 604 K CB -0.058 32.281 32.500 -0.268 0.000 0.721 604 K HN 0.112 nan 8.250 nan 0.000 0.447 605 S N -0.585 114.989 115.700 -0.209 0.000 2.395 605 S HA -0.089 4.381 4.470 -0.000 0.000 0.225 605 S C 1.939 176.426 174.600 -0.189 0.000 1.027 605 S CA 0.950 59.065 58.200 -0.142 0.000 0.965 605 S CB -0.361 62.799 63.200 -0.066 0.000 0.812 605 S HN 0.561 nan 8.310 nan 0.000 0.482 606 C N 1.701 120.813 119.300 -0.314 0.000 2.422 606 C HA 0.015 4.475 4.460 -0.000 0.000 0.279 606 C C 2.501 177.404 174.990 -0.145 0.000 1.305 606 C CA 0.732 59.589 59.018 -0.269 0.000 1.757 606 C CB -1.367 26.183 27.740 -0.317 0.000 1.962 606 C HN 0.675 nan 8.230 nan 0.000 0.499 607 E N -0.839 119.296 120.200 -0.109 0.000 2.106 607 E HA -0.226 4.124 4.350 -0.000 0.000 0.192 607 E C 1.809 178.404 176.600 -0.008 0.000 0.984 607 E CA 1.290 57.657 56.400 -0.055 0.000 0.806 607 E CB -0.245 29.418 29.700 -0.063 0.000 0.750 607 E HN 0.830 nan 8.360 nan 0.000 0.458 608 Y N 1.079 121.325 120.300 -0.089 0.000 2.163 608 Y HA -0.174 4.376 4.550 -0.000 0.000 0.288 608 Y C 1.975 177.870 175.900 -0.007 0.000 1.136 608 Y CA 1.339 59.421 58.100 -0.030 0.000 1.147 608 Y CB -0.066 38.400 38.460 0.009 0.000 0.987 608 Y HN -0.071 nan 8.280 nan 0.000 0.509 609 I N 0.474 121.051 120.570 0.013 0.000 2.208 609 I HA -0.354 3.816 4.170 -0.000 0.000 0.245 609 I C 2.261 178.400 176.117 0.036 0.000 1.097 609 I CA 1.650 62.932 61.300 -0.030 0.000 1.363 609 I CB -0.374 37.422 38.000 -0.340 0.000 1.051 609 I HN 0.156 nan 8.210 nan 0.000 0.413 610 K N 0.254 120.645 120.400 -0.013 0.000 2.362 610 K HA -0.115 4.205 4.320 -0.000 0.000 0.200 610 K C 1.198 177.844 176.600 0.078 0.000 1.046 610 K CA 0.917 57.269 56.287 0.107 0.000 0.952 610 K CB 0.008 32.550 32.500 0.072 0.000 0.753 610 K HN 0.485 nan 8.250 nan 0.000 0.466 611 Q N -0.606 119.158 119.800 -0.060 0.000 2.157 611 Q HA 0.165 4.505 4.340 -0.000 0.000 0.229 611 Q C 0.181 176.042 176.000 -0.232 0.000 0.827 611 Q CA -0.122 55.606 55.803 -0.126 0.000 1.055 611 Q CB 0.818 29.467 28.738 -0.149 0.000 1.157 611 Q HN 0.191 nan 8.270 nan 0.000 0.482 612 N N -0.658 117.896 118.700 -0.244 0.000 1.986 612 N HA 0.141 4.881 4.740 -0.000 0.000 0.227 612 N C -1.066 173.995 175.510 -0.748 0.000 1.387 612 N CA 0.283 53.031 53.050 -0.503 0.000 0.810 612 N CB 1.148 39.202 38.487 -0.721 0.000 1.140 612 N HN -0.004 nan 8.380 nan 0.000 0.504 613 F N 0.562 120.533 119.950 0.035 0.000 2.601 613 F HA 0.401 4.928 4.527 -0.000 0.000 0.309 613 F C -0.045 175.891 175.800 0.227 0.000 1.089 613 F CA -0.567 57.509 58.000 0.128 0.000 0.940 613 F CB 2.012 41.088 39.000 0.126 0.000 1.273 613 F HN -0.385 nan 8.300 nan 0.000 0.450 614 T N 3.216 117.966 114.554 0.326 0.000 2.779 614 T HA 0.465 4.815 4.350 -0.000 0.000 0.280 614 T C -2.610 172.101 174.700 0.019 0.000 0.987 614 T CA -1.495 60.674 62.100 0.116 0.000 0.966 614 T CB 1.543 70.437 68.868 0.042 0.000 0.933 614 T HN 0.123 nan 8.240 nan 0.000 0.442 615 P HA 0.113 nan 4.420 nan 0.000 0.267 615 P C -0.277 176.964 177.300 -0.099 0.000 1.201 615 P CA -0.384 62.509 63.100 -0.346 0.000 0.775 615 P CB 0.295 31.698 31.700 -0.496 0.000 0.854 616 S N 1.741 117.413 115.700 -0.046 0.000 2.565 616 S HA 0.394 4.864 4.470 -0.000 0.000 0.274 616 S C -2.271 172.321 174.600 -0.013 0.000 1.309 616 S CA -1.338 56.851 58.200 -0.019 0.000 1.043 616 S CB -0.561 62.629 63.200 -0.015 0.000 0.939 616 S HN 0.272 nan 8.310 nan 0.000 0.504 617 P HA 0.025 nan 4.420 nan 0.000 0.259 617 P C -0.242 177.110 177.300 0.088 0.000 1.163 617 P CA -0.027 63.103 63.100 0.049 0.000 0.760 617 P CB 0.025 31.746 31.700 0.036 0.000 0.762 618 F N 0.000 119.936 119.950 -0.023 0.000 2.286 618 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 618 F CA 0.000 57.991 58.000 -0.015 0.000 1.383 618 F CB 0.000 38.991 39.000 -0.015 0.000 1.145 618 F HN 0.000 nan 8.300 nan 0.000 0.574