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 3k4n_1_A 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 HTQIHRDAAA AGAVQQSIDS 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 0.000 176.353 176.600 -0.412 0.000 0.988 46 K CA 0.000 56.149 56.287 -0.230 0.000 0.838 46 K CB 0.000 32.432 32.500 -0.114 0.000 1.064 47 Y N 1.329 121.618 120.300 -0.019 0.000 2.633 47 Y HA 0.385 4.935 4.550 0.001 0.000 0.339 47 Y C 0.824 176.691 175.900 -0.055 0.000 1.045 47 Y CA -0.888 57.188 58.100 -0.039 0.000 1.098 47 Y CB 1.418 39.847 38.460 -0.052 0.000 1.296 47 Y HN 0.569 nan 8.280 nan 0.000 0.494 48 D N -0.008 120.478 120.400 0.144 0.000 2.103 48 D HA 0.013 4.653 4.640 0.001 0.000 0.199 48 D C -0.201 176.079 176.300 -0.033 0.000 0.978 48 D CA 1.529 55.590 54.000 0.101 0.000 0.829 48 D CB 0.234 41.183 40.800 0.249 0.000 0.981 48 D HN 0.130 nan 8.370 nan 0.000 0.464 49 V N 0.911 120.790 119.914 -0.058 0.000 2.735 49 V HA 0.399 4.519 4.120 0.001 0.000 0.310 49 V C -0.236 175.735 176.094 -0.206 0.000 1.061 49 V CA -1.021 61.153 62.300 -0.210 0.000 0.913 49 V CB 2.544 34.222 31.823 -0.242 0.000 1.005 49 V HN 0.002 nan 8.190 nan 0.000 0.428 50 V N 2.491 122.254 119.914 -0.252 0.000 2.555 50 V HA 0.715 4.836 4.120 0.001 0.000 0.302 50 V C -0.648 175.374 176.094 -0.121 0.000 1.038 50 V CA -0.599 61.605 62.300 -0.160 0.000 0.887 50 V CB 1.710 33.550 31.823 0.029 0.000 0.991 50 V HN 0.687 nan 8.190 nan 0.000 0.434 51 I N 4.477 124.976 120.570 -0.118 0.000 2.378 51 I HA 0.449 4.620 4.170 0.001 0.000 0.291 51 I C -0.413 175.712 176.117 0.013 0.000 0.992 51 I CA -0.958 60.280 61.300 -0.104 0.000 1.154 51 I CB 2.015 39.939 38.000 -0.126 0.000 1.315 51 I HN 0.431 nan 8.210 nan 0.000 0.448 52 V N 5.578 125.500 119.914 0.014 0.000 2.368 52 V HA 0.680 4.800 4.120 0.001 0.000 0.266 52 V C 0.573 176.672 176.094 0.008 0.000 1.045 52 V CA -0.231 62.101 62.300 0.054 0.000 0.899 52 V CB 0.423 32.260 31.823 0.023 0.000 1.006 52 V HN 1.083 nan 8.190 nan 0.000 0.470 53 G N 3.967 112.785 108.800 0.030 0.000 3.225 53 G HA2 -0.074 3.887 3.960 0.001 0.000 0.686 53 G HA3 -0.074 3.887 3.960 0.001 0.000 0.686 53 G C 0.004 174.910 174.900 0.011 0.000 1.105 53 G CA -0.258 44.849 45.100 0.012 0.000 0.831 53 G HN 1.331 nan 8.290 nan 0.000 0.578 54 S N 1.564 117.274 115.700 0.016 0.000 2.552 54 S HA 0.588 5.059 4.470 0.001 0.000 0.246 54 S C 1.338 175.939 174.600 0.000 0.000 1.019 54 S CA 0.668 58.882 58.200 0.024 0.000 1.045 54 S CB 0.521 63.747 63.200 0.044 0.000 0.784 54 S HN 1.866 nan 8.310 nan 0.000 0.453 55 G N 2.439 111.231 108.800 -0.014 0.000 2.553 55 G HA2 0.411 4.372 3.960 0.001 0.000 0.278 55 G HA3 0.411 4.372 3.960 0.001 0.000 0.278 55 G C -1.331 173.537 174.900 -0.053 0.000 1.349 55 G CA -1.394 43.679 45.100 -0.045 0.000 1.037 55 G HN 0.275 nan 8.290 nan 0.000 0.508 56 P HA -0.044 nan 4.420 nan 0.000 0.220 56 P C 1.619 178.871 177.300 -0.080 0.000 1.148 56 P CA 0.785 63.834 63.100 -0.085 0.000 0.803 56 P CB 0.186 31.866 31.700 -0.033 0.000 0.782 57 I N -0.402 120.158 120.570 -0.017 0.000 2.494 57 I HA 0.046 4.217 4.170 0.001 0.000 0.250 57 I C 2.644 178.828 176.117 0.112 0.000 1.112 57 I CA 1.148 62.472 61.300 0.039 0.000 1.438 57 I CB -2.303 35.753 38.000 0.093 0.000 1.111 57 I HN -0.021 nan 8.210 nan 0.000 0.431 58 G N 0.901 109.739 108.800 0.063 0.000 2.556 58 G HA2 -0.300 3.660 3.960 0.001 0.000 0.220 58 G HA3 -0.300 3.660 3.960 0.001 0.000 0.220 58 G C 1.717 176.613 174.900 -0.007 0.000 1.156 58 G CA 1.446 46.566 45.100 0.032 0.000 0.766 58 G HN 0.433 nan 8.290 nan 0.000 0.583 59 C N 0.292 119.559 119.300 -0.054 0.000 2.468 59 C HA 0.100 4.561 4.460 0.001 0.000 0.277 59 C C 3.174 178.021 174.990 -0.237 0.000 1.400 59 C CA 1.166 60.103 59.018 -0.135 0.000 1.770 59 C CB -0.922 26.785 27.740 -0.055 0.000 1.905 59 C HN 0.472 nan 8.230 nan 0.000 0.519 60 T N 0.268 114.705 114.554 -0.195 0.000 2.674 60 T HA -0.187 4.163 4.350 0.001 0.000 0.265 60 T C 1.491 176.028 174.700 -0.272 0.000 1.039 60 T CA 1.742 63.689 62.100 -0.255 0.000 1.150 60 T CB -0.430 68.318 68.868 -0.199 0.000 0.864 60 T HN 0.542 nan 8.240 nan 0.000 0.427 61 Y N 1.420 121.578 120.300 -0.236 0.000 2.181 61 Y HA -0.048 4.503 4.550 0.000 0.000 0.288 61 Y C 2.716 178.409 175.900 -0.344 0.000 1.146 61 Y CA 0.927 58.875 58.100 -0.253 0.000 1.164 61 Y CB -0.744 37.589 38.460 -0.212 0.000 0.982 61 Y HN 0.201 nan 8.280 nan 0.000 0.515 62 A N 0.145 122.794 122.820 -0.286 0.000 1.858 62 A HA -0.252 4.068 4.320 0.001 0.000 0.216 62 A C 2.259 179.322 177.584 -0.868 0.000 1.190 62 A CA 1.952 53.592 52.037 -0.662 0.000 0.617 62 A CB -0.843 17.514 19.000 -1.071 0.000 0.827 62 A HN 0.440 nan 8.150 nan 0.000 0.443 63 R N -0.268 119.744 120.500 -0.814 0.000 2.097 63 R HA -0.202 4.139 4.340 0.001 0.000 0.236 63 R C 2.149 178.259 176.300 -0.316 0.000 1.135 63 R CA 2.050 57.833 56.100 -0.529 0.000 0.934 63 R CB -0.344 29.651 30.300 -0.508 0.000 0.846 63 R HN 0.614 nan 8.270 nan 0.000 0.431 64 E N 0.359 120.402 120.200 -0.262 0.000 2.031 64 E HA -0.212 4.138 4.350 0.001 0.000 0.193 64 E C 2.168 178.719 176.600 -0.082 0.000 0.994 64 E CA 1.600 57.924 56.400 -0.127 0.000 0.800 64 E CB -0.172 29.448 29.700 -0.134 0.000 0.752 64 E HN 0.443 nan 8.360 nan 0.000 0.447 65 L N 0.543 121.685 121.223 -0.136 0.000 2.109 65 L HA -0.109 4.231 4.340 0.001 0.000 0.207 65 L C 2.574 179.498 176.870 0.091 0.000 1.086 65 L CA 0.392 55.196 54.840 -0.060 0.000 0.760 65 L CB -0.314 41.569 42.059 -0.293 0.000 0.910 65 L HN -0.026 nan 8.230 nan 0.000 0.437 66 V N 0.299 120.172 119.914 -0.068 0.000 2.295 66 V HA -0.184 3.936 4.120 0.001 0.000 0.246 66 V C 2.390 178.517 176.094 0.055 0.000 1.049 66 V CA 2.021 64.319 62.300 -0.003 0.000 1.024 66 V CB -1.092 30.671 31.823 -0.100 0.000 0.648 66 V HN 0.559 nan 8.190 nan 0.000 0.447 67 G N -0.969 107.847 108.800 0.028 0.000 2.848 67 G HA2 0.169 4.130 3.960 0.001 0.000 0.208 67 G HA3 0.169 4.130 3.960 0.001 0.000 0.208 67 G C 1.080 176.017 174.900 0.062 0.000 1.152 67 G CA 0.619 45.748 45.100 0.048 0.000 0.789 67 G HN 0.601 nan 8.290 nan 0.000 0.531 68 A N -0.456 122.429 122.820 0.108 0.000 2.460 68 A HA 0.543 4.864 4.320 0.001 0.000 0.258 68 A C 1.823 179.427 177.584 0.033 0.000 1.300 68 A CA 0.895 53.005 52.037 0.122 0.000 0.913 68 A CB -0.358 18.786 19.000 0.239 0.000 1.031 68 A HN 1.327 nan 8.150 nan 0.000 0.512 69 G N -1.649 107.164 108.800 0.022 0.000 2.199 69 G HA2 -0.321 3.640 3.960 0.001 0.000 0.254 69 G HA3 -0.321 3.640 3.960 0.001 0.000 0.254 69 G C 0.135 174.950 174.900 -0.141 0.000 0.982 69 G CA 0.368 45.427 45.100 -0.069 0.000 0.632 69 G HN 0.462 nan 8.290 nan 0.000 0.529 70 Y N 0.647 120.945 120.300 -0.004 0.000 2.426 70 Y HA 0.407 4.958 4.550 0.001 0.000 0.344 70 Y C 1.170 177.055 175.900 -0.024 0.000 1.256 70 Y CA 0.537 58.629 58.100 -0.013 0.000 1.451 70 Y CB 0.623 39.068 38.460 -0.025 0.000 1.342 70 Y HN 0.057 nan 8.280 nan 0.000 0.600 71 K N 2.522 123.013 120.400 0.152 0.000 2.266 71 K HA 0.412 4.732 4.320 0.001 0.000 0.274 71 K C -1.694 174.985 176.600 0.133 0.000 1.090 71 K CA -0.216 56.128 56.287 0.096 0.000 0.925 71 K CB 0.206 32.741 32.500 0.057 0.000 1.225 71 K HN 0.474 nan 8.250 nan 0.000 0.458 72 V N 3.499 123.451 119.914 0.064 0.000 2.394 72 V HA 0.456 4.576 4.120 0.001 0.000 0.282 72 V C -0.081 175.770 176.094 -0.404 0.000 1.031 72 V CA -0.758 61.501 62.300 -0.070 0.000 0.881 72 V CB 1.279 33.132 31.823 0.048 0.000 0.982 72 V HN 0.870 nan 8.190 nan 0.000 0.451 73 A N 6.426 128.821 122.820 -0.709 0.000 2.317 73 A HA 0.904 5.224 4.320 0.001 0.000 0.327 73 A C -0.507 176.573 177.584 -0.841 0.000 1.178 73 A CA -0.579 50.773 52.037 -1.141 0.000 0.817 73 A CB 1.173 19.014 19.000 -1.931 0.000 1.189 73 A HN 0.909 nan 8.150 nan 0.000 0.489 74 M N 2.865 121.888 119.600 -0.962 0.000 2.263 74 M HA 0.697 5.178 4.480 0.001 0.000 0.295 74 M C -2.191 173.712 176.300 -0.662 0.000 1.028 74 M CA -0.378 54.572 55.300 -0.583 0.000 0.921 74 M CB 1.011 33.502 32.600 -0.181 0.000 1.601 74 M HN 0.575 nan 8.290 nan 0.000 0.440 75 F N 2.371 122.312 119.950 -0.015 0.000 2.480 75 F HA 0.615 5.142 4.527 0.000 0.000 0.329 75 F C -0.042 175.761 175.800 0.004 0.000 1.091 75 F CA -0.491 57.531 58.000 0.036 0.000 0.972 75 F CB 1.342 40.360 39.000 0.030 0.000 1.150 75 F HN 0.467 nan 8.300 nan 0.000 0.467 76 D N 2.193 122.695 120.400 0.172 0.000 2.819 76 D HA 0.236 4.876 4.640 0.001 0.000 0.232 76 D C 0.586 176.915 176.300 0.047 0.000 1.160 76 D CA -0.411 53.635 54.000 0.077 0.000 0.858 76 D CB 2.452 43.275 40.800 0.038 0.000 1.610 76 D HN 0.622 nan 8.370 nan 0.000 0.481 77 I N 1.970 122.517 120.570 -0.039 0.000 2.286 77 I HA -0.027 4.144 4.170 0.001 0.000 0.248 77 I C 1.305 177.383 176.117 -0.065 0.000 1.115 77 I CA 1.134 62.363 61.300 -0.119 0.000 1.392 77 I CB 0.022 37.816 38.000 -0.344 0.000 1.065 77 I HN 0.398 nan 8.210 nan 0.000 0.418 78 G N -0.269 108.505 108.800 -0.043 0.000 2.563 78 G HA2 0.313 4.274 3.960 0.001 0.000 0.283 78 G HA3 0.313 4.274 3.960 0.001 0.000 0.283 78 G C -0.680 174.239 174.900 0.032 0.000 1.309 78 G CA -0.389 44.713 45.100 0.004 0.000 1.022 78 G HN 0.326 nan 8.290 nan 0.000 0.501 79 E N -1.588 118.637 120.200 0.042 0.000 2.281 79 E HA 0.393 4.743 4.350 0.001 0.000 0.257 79 E C -0.250 176.375 176.600 0.042 0.000 0.971 79 E CA -0.744 55.684 56.400 0.046 0.000 0.839 79 E CB 2.189 31.920 29.700 0.052 0.000 1.238 79 E HN 0.269 nan 8.360 nan 0.000 0.412 80 I N 1.516 122.111 120.570 0.041 0.000 2.505 80 I HA 0.030 4.200 4.170 0.001 0.000 0.287 80 I C -0.040 176.106 176.117 0.048 0.000 1.104 80 I CA 0.755 62.079 61.300 0.039 0.000 1.387 80 I CB 0.200 38.220 38.000 0.032 0.000 1.404 80 I HN 0.506 nan 8.210 nan 0.000 0.528 81 D N 3.263 123.696 120.400 0.055 0.000 2.760 81 D HA 0.201 4.842 4.640 0.001 0.000 0.314 81 D C 0.117 176.467 176.300 0.085 0.000 1.464 81 D CA 0.127 54.166 54.000 0.065 0.000 0.797 81 D CB 0.607 41.442 40.800 0.059 0.000 1.149 81 D HN 0.357 nan 8.370 nan 0.000 0.455 82 S N -0.640 115.112 115.700 0.087 0.000 3.041 82 S HA 0.511 4.981 4.470 0.001 0.000 0.244 82 S C 0.518 175.183 174.600 0.108 0.000 0.837 82 S CA -0.143 58.124 58.200 0.112 0.000 1.206 82 S CB 0.809 64.072 63.200 0.105 0.000 1.218 82 S HN 0.535 nan 8.310 nan 0.000 0.591 83 G N 1.856 110.709 108.800 0.089 0.000 2.645 83 G HA2 -0.240 3.721 3.960 0.001 0.000 0.239 83 G HA3 -0.240 3.721 3.960 0.001 0.000 0.239 83 G C 0.323 175.256 174.900 0.055 0.000 1.331 83 G CA -0.087 45.058 45.100 0.075 0.000 0.890 83 G HN 0.342 nan 8.290 nan 0.000 0.572 84 L N 0.035 121.285 121.223 0.045 0.000 2.465 84 L HA 0.091 4.431 4.340 0.001 0.000 0.224 84 L C 1.365 178.245 176.870 0.015 0.000 1.145 84 L CA 1.005 55.860 54.840 0.025 0.000 0.834 84 L CB -0.419 41.651 42.059 0.018 0.000 0.944 84 L HN 0.328 nan 8.230 nan 0.000 0.451 85 K N 1.516 121.934 120.400 0.030 0.000 2.264 85 K HA 0.396 4.716 4.320 0.001 0.000 0.277 85 K C -0.268 176.346 176.600 0.023 0.000 1.067 85 K CA -0.288 56.010 56.287 0.017 0.000 0.900 85 K CB 1.297 33.819 32.500 0.038 0.000 1.124 85 K HN 0.035 nan 8.250 nan 0.000 0.469 86 I N 1.630 122.196 120.570 -0.006 0.000 2.588 86 I HA 0.008 4.178 4.170 0.001 0.000 0.283 86 I C 1.406 177.527 176.117 0.007 0.000 1.119 86 I CA 0.493 61.794 61.300 0.002 0.000 1.419 86 I CB 0.610 38.602 38.000 -0.014 0.000 1.394 86 I HN 0.959 nan 8.210 nan 0.000 0.562 87 G N 4.053 112.869 108.800 0.026 0.000 2.168 87 G HA2 -0.246 3.715 3.960 0.001 0.000 0.263 87 G HA3 -0.246 3.715 3.960 0.001 0.000 0.263 87 G C 0.406 175.338 174.900 0.054 0.000 0.977 87 G CA 0.133 45.249 45.100 0.027 0.000 0.659 87 G HN 1.008 nan 8.290 nan 0.000 0.533 88 A N -0.117 122.755 122.820 0.087 0.000 2.346 88 A HA 0.548 4.869 4.320 0.001 0.000 0.252 88 A C 0.617 178.323 177.584 0.203 0.000 1.089 88 A CA -0.153 51.976 52.037 0.153 0.000 0.797 88 A CB 0.185 19.277 19.000 0.152 0.000 1.047 88 A HN 0.600 nan 8.150 nan 0.000 0.494 89 H N 0.658 119.853 119.070 0.209 0.000 2.929 89 H HA 0.091 4.647 4.556 -0.000 0.000 0.317 89 H C 0.791 176.253 175.328 0.224 0.000 1.031 89 H CA 0.739 56.932 56.048 0.243 0.000 1.466 89 H CB 0.797 30.739 29.762 0.301 0.000 1.482 89 H HN 0.712 nan 8.280 nan 0.000 0.561 90 K N 3.343 123.971 120.400 0.380 0.000 2.362 90 K HA -0.092 4.229 4.320 0.001 0.000 0.200 90 K C 1.611 178.470 176.600 0.432 0.000 1.046 90 K CA 0.699 57.236 56.287 0.416 0.000 0.952 90 K CB 0.324 33.068 32.500 0.406 0.000 0.753 90 K HN 0.404 nan 8.250 nan 0.000 0.466 91 K N 0.820 121.370 120.400 0.250 0.000 2.487 91 K HA 0.021 4.342 4.320 0.001 0.000 0.192 91 K C 0.155 176.773 176.600 0.031 0.000 1.027 91 K CA 0.199 56.283 56.287 -0.338 0.000 1.054 91 K CB 0.273 32.128 32.500 -1.074 0.000 0.824 91 K HN 0.002 nan 8.250 nan 0.000 0.510 92 N N 1.723 120.557 118.700 0.222 0.000 2.623 92 N HA -0.016 4.724 4.740 0.001 0.000 0.263 92 N C -0.835 174.959 175.510 0.474 0.000 1.218 92 N CA 0.271 53.483 53.050 0.270 0.000 0.949 92 N CB 0.641 39.309 38.487 0.302 0.000 1.270 92 N HN 0.219 nan 8.380 nan 0.000 0.507 93 T N -4.603 110.223 114.554 0.454 0.000 2.908 93 T HA 0.348 4.698 4.350 0.001 0.000 0.290 93 T C 1.370 176.313 174.700 0.404 0.000 1.034 93 T CA -0.791 61.552 62.100 0.405 0.000 1.010 93 T CB 1.581 70.641 68.868 0.319 0.000 1.068 93 T HN -0.193 nan 8.240 nan 0.000 0.481 94 V N 1.065 121.139 119.914 0.266 0.000 2.490 94 V HA -0.107 4.013 4.120 0.001 0.000 0.250 94 V C 2.769 178.950 176.094 0.145 0.000 1.061 94 V CA 2.260 64.687 62.300 0.212 0.000 1.064 94 V CB -1.057 30.799 31.823 0.055 0.000 0.670 94 V HN 1.036 nan 8.190 nan 0.000 0.461 95 E N -0.195 120.039 120.200 0.056 0.000 2.077 95 E HA -0.213 4.138 4.350 0.001 0.000 0.193 95 E C 1.996 178.568 176.600 -0.047 0.000 0.989 95 E CA 1.715 58.076 56.400 -0.065 0.000 0.800 95 E CB -0.304 29.264 29.700 -0.220 0.000 0.746 95 E HN 0.670 nan 8.360 nan 0.000 0.452 96 Y N 0.677 121.072 120.300 0.158 0.000 2.286 96 Y HA 0.016 4.566 4.550 -0.001 0.000 0.293 96 Y C 2.224 178.186 175.900 0.102 0.000 1.124 96 Y CA 1.208 59.398 58.100 0.149 0.000 1.178 96 Y CB -0.138 38.427 38.460 0.175 0.000 1.010 96 Y HN 0.118 nan 8.280 nan 0.000 0.536 97 Q N 0.108 120.061 119.800 0.254 0.000 2.364 97 Q HA -0.143 4.198 4.340 0.001 0.000 0.207 97 Q C 1.591 177.680 176.000 0.148 0.000 0.970 97 Q CA 0.994 56.898 55.803 0.169 0.000 0.888 97 Q CB -0.098 28.731 28.738 0.151 0.000 0.951 97 Q HN 0.506 nan 8.270 nan 0.000 0.469 98 K N 0.140 120.623 120.400 0.139 0.000 2.361 98 K HA 0.065 4.385 4.320 0.001 0.000 0.196 98 K C 0.638 177.291 176.600 0.089 0.000 1.039 98 K CA 0.304 56.648 56.287 0.096 0.000 1.001 98 K CB 0.468 33.009 32.500 0.068 0.000 0.795 98 K HN 0.071 nan 8.250 nan 0.000 0.495 99 N N 1.136 119.910 118.700 0.122 0.000 2.622 99 N HA 0.060 4.800 4.740 0.001 0.000 0.304 99 N C 0.445 176.085 175.510 0.218 0.000 1.844 99 N CA 0.044 53.173 53.050 0.132 0.000 0.886 99 N CB 0.885 39.425 38.487 0.089 0.000 1.366 99 N HN 0.043 nan 8.380 nan 0.000 0.491 100 I N 1.902 122.583 120.570 0.184 0.000 2.264 100 I HA -0.272 3.899 4.170 0.001 0.000 0.248 100 I C 1.664 177.899 176.117 0.197 0.000 1.111 100 I CA 1.817 63.229 61.300 0.187 0.000 1.382 100 I CB -0.111 37.949 38.000 0.100 0.000 1.060 100 I HN 0.287 nan 8.210 nan 0.000 0.418 101 D N 0.877 121.365 120.400 0.147 0.000 2.172 101 D HA -0.275 4.365 4.640 0.001 0.000 0.196 101 D C 1.583 177.974 176.300 0.151 0.000 0.999 101 D CA 1.170 55.243 54.000 0.122 0.000 0.856 101 D CB -0.699 40.154 40.800 0.088 0.000 0.934 101 D HN 0.306 nan 8.370 nan 0.000 0.453 102 K N -0.376 120.152 120.400 0.213 0.000 2.442 102 K HA -0.066 4.255 4.320 0.001 0.000 0.198 102 K C 1.745 178.499 176.600 0.255 0.000 1.042 102 K CA 0.016 56.447 56.287 0.240 0.000 0.958 102 K CB -0.468 32.208 32.500 0.293 0.000 0.766 102 K HN 0.256 nan 8.250 nan 0.000 0.474 103 F N 0.990 120.981 119.950 0.069 0.000 2.367 103 F HA -0.126 4.402 4.527 0.001 0.000 0.298 103 F C 2.115 177.851 175.800 -0.107 0.000 1.094 103 F CA 0.354 58.272 58.000 -0.136 0.000 1.409 103 F CB -0.169 38.701 39.000 -0.217 0.000 1.064 103 F HN -0.216 nan 8.300 nan 0.000 0.528 104 V N 0.957 120.857 119.914 -0.024 0.000 2.324 104 V HA -0.397 3.723 4.120 0.001 0.000 0.250 104 V C 1.812 177.788 176.094 -0.196 0.000 1.060 104 V CA 2.897 65.136 62.300 -0.102 0.000 1.042 104 V CB -0.721 31.079 31.823 -0.040 0.000 0.650 104 V HN 0.494 nan 8.190 nan 0.000 0.450 105 N N -0.345 118.267 118.700 -0.147 0.000 2.137 105 N HA -0.175 4.565 4.740 0.001 0.000 0.190 105 N C 1.656 177.023 175.510 -0.238 0.000 1.017 105 N CA 1.750 54.716 53.050 -0.139 0.000 0.859 105 N CB -0.363 38.092 38.487 -0.053 0.000 1.002 105 N HN 0.461 nan 8.380 nan 0.000 0.428 106 V N 0.923 120.570 119.914 -0.444 0.000 2.427 106 V HA -0.149 3.972 4.120 0.001 0.000 0.248 106 V C 1.990 177.792 176.094 -0.487 0.000 1.051 106 V CA 1.221 63.203 62.300 -0.530 0.000 1.048 106 V CB -0.429 30.797 31.823 -0.995 0.000 0.666 106 V HN 0.288 nan 8.190 nan 0.000 0.456 107 I N -0.236 119.984 120.570 -0.583 0.000 2.127 107 I HA -0.356 3.814 4.170 0.001 0.000 0.241 107 I C 2.624 178.558 176.117 -0.305 0.000 1.075 107 I CA 1.851 62.863 61.300 -0.479 0.000 1.334 107 I CB -0.388 37.337 38.000 -0.458 0.000 1.040 107 I HN 0.315 nan 8.210 nan 0.000 0.405 108 Q N 0.287 119.949 119.800 -0.230 0.000 2.291 108 Q HA -0.123 4.218 4.340 0.001 0.000 0.206 108 Q C 2.291 178.231 176.000 -0.100 0.000 0.976 108 Q CA 1.245 56.962 55.803 -0.143 0.000 0.875 108 Q CB -0.342 28.328 28.738 -0.113 0.000 0.927 108 Q HN 0.666 nan 8.270 nan 0.000 0.450 109 G N 1.370 110.102 108.800 -0.113 0.000 2.432 109 G HA2 -0.260 3.701 3.960 0.001 0.000 0.219 109 G HA3 -0.260 3.701 3.960 0.001 0.000 0.219 109 G C 0.983 175.861 174.900 -0.036 0.000 1.135 109 G CA 0.815 45.874 45.100 -0.067 0.000 0.767 109 G HN 0.481 nan 8.290 nan 0.000 0.550 110 Q N -0.633 119.140 119.800 -0.044 0.000 2.155 110 Q HA 0.460 4.801 4.340 0.001 0.000 0.273 110 Q C -0.484 175.539 176.000 0.039 0.000 0.857 110 Q CA -0.268 55.546 55.803 0.018 0.000 1.116 110 Q CB 0.156 28.928 28.738 0.056 0.000 1.209 110 Q HN 0.271 nan 8.270 nan 0.000 0.460 111 L N 2.024 123.248 121.223 0.002 0.000 2.337 111 L HA 0.500 4.840 4.340 0.001 0.000 0.269 111 L C -0.993 175.898 176.870 0.034 0.000 1.018 111 L CA -0.740 54.115 54.840 0.025 0.000 0.876 111 L CB 1.229 43.273 42.059 -0.024 0.000 1.236 111 L HN 0.236 nan 8.230 nan 0.000 0.436 112 M N 1.824 121.464 119.600 0.068 0.000 2.113 112 M HA 0.265 4.746 4.480 0.001 0.000 0.352 112 M C 0.379 176.729 176.300 0.082 0.000 1.170 112 M CA 0.172 55.515 55.300 0.073 0.000 1.053 112 M CB 1.558 34.216 32.600 0.096 0.000 1.601 112 M HN 0.269 nan 8.290 nan 0.000 0.459 113 S N 1.866 117.602 115.700 0.060 0.000 2.549 113 S HA 0.121 4.591 4.470 0.001 0.000 0.286 113 S C 1.466 176.110 174.600 0.073 0.000 1.314 113 S CA -0.630 57.605 58.200 0.058 0.000 1.062 113 S CB 0.641 63.863 63.200 0.036 0.000 0.865 113 S HN 0.580 nan 8.310 nan 0.000 0.498 114 V N 2.739 122.707 119.914 0.089 0.000 2.244 114 V HA -0.015 4.105 4.120 0.001 0.000 0.244 114 V C 1.193 177.287 176.094 -0.002 0.000 1.042 114 V CA 1.368 63.705 62.300 0.060 0.000 1.006 114 V CB -0.135 31.740 31.823 0.087 0.000 0.641 114 V HN 0.750 nan 8.190 nan 0.000 0.446 115 S N -0.516 115.199 115.700 0.024 0.000 2.733 115 S HA 0.557 5.027 4.470 0.001 0.000 0.294 115 S C -1.011 173.593 174.600 0.007 0.000 1.149 115 S CA -0.469 57.712 58.200 -0.032 0.000 1.034 115 S CB 1.432 64.572 63.200 -0.100 0.000 1.015 115 S HN 0.071 nan 8.310 nan 0.000 0.486 116 V N 7.609 127.517 119.914 -0.011 0.000 2.357 116 V HA 0.537 4.658 4.120 0.001 0.000 0.284 116 V C -2.008 174.076 176.094 -0.016 0.000 1.018 116 V CA -1.920 60.376 62.300 -0.006 0.000 0.841 116 V CB 1.276 33.096 31.823 -0.005 0.000 0.991 116 V HN 0.676 nan 8.190 nan 0.000 0.437 117 P HA 0.130 nan 4.420 nan 0.000 0.272 117 P C -0.156 177.129 177.300 -0.025 0.000 1.240 117 P CA -0.155 62.934 63.100 -0.019 0.000 0.791 117 P CB 0.883 32.571 31.700 -0.020 0.000 0.978 118 V N 2.629 122.531 119.914 -0.019 0.000 2.434 118 V HA -0.058 4.062 4.120 0.001 0.000 0.281 118 V C 1.384 177.447 176.094 -0.053 0.000 1.005 118 V CA 0.055 62.341 62.300 -0.023 0.000 1.089 118 V CB -1.301 30.526 31.823 0.006 0.000 0.978 118 V HN 0.627 nan 8.190 nan 0.000 0.474 119 N N 4.499 123.162 118.700 -0.061 0.000 2.294 119 N HA -0.089 4.651 4.740 0.001 0.000 0.263 119 N C 0.814 176.223 175.510 -0.169 0.000 1.281 119 N CA 1.110 54.106 53.050 -0.090 0.000 0.846 119 N CB 0.961 39.415 38.487 -0.056 0.000 1.061 119 N HN 0.891 nan 8.380 nan 0.000 0.478 120 T N 1.557 115.908 114.554 -0.338 0.000 3.380 120 T HA 0.259 4.609 4.350 0.001 0.000 0.289 120 T C 0.764 175.065 174.700 -0.664 0.000 1.012 120 T CA -0.575 60.993 62.100 -0.887 0.000 0.944 120 T CB -0.504 67.811 68.868 -0.921 0.000 1.172 120 T HN 0.276 nan 8.240 nan 0.000 0.502 121 L N 1.757 122.828 121.223 -0.253 0.000 2.456 121 L HA 0.369 4.709 4.340 0.001 0.000 0.272 121 L C 0.021 176.922 176.870 0.051 0.000 1.189 121 L CA -0.677 54.106 54.840 -0.094 0.000 0.846 121 L CB 0.974 43.013 42.059 -0.032 0.000 1.111 121 L HN 0.125 nan 8.230 nan 0.000 0.475 122 V N 4.580 124.535 119.914 0.070 0.000 2.318 122 V HA 0.156 4.277 4.120 0.001 0.000 0.271 122 V C 0.183 176.333 176.094 0.093 0.000 1.030 122 V CA -0.512 61.880 62.300 0.154 0.000 0.844 122 V CB 1.353 33.255 31.823 0.131 0.000 1.015 122 V HN 0.407 nan 8.190 nan 0.000 0.460 123 V N 5.464 125.438 119.914 0.101 0.000 2.334 123 V HA 0.293 4.414 4.120 0.001 0.000 0.267 123 V C 0.498 176.625 176.094 0.056 0.000 1.040 123 V CA -0.291 62.049 62.300 0.066 0.000 0.866 123 V CB 1.165 33.028 31.823 0.067 0.000 1.019 123 V HN 1.067 nan 8.190 nan 0.000 0.468 124 D N 1.982 122.407 120.400 0.041 0.000 2.479 124 D HA -0.016 4.624 4.640 0.001 0.000 0.218 124 D C 1.277 177.588 176.300 0.019 0.000 1.177 124 D CA 0.307 54.324 54.000 0.028 0.000 0.830 124 D CB 0.336 41.152 40.800 0.027 0.000 1.014 124 D HN 0.534 nan 8.370 nan 0.000 0.503 125 T N -1.372 113.195 114.554 0.022 0.000 3.251 125 T HA 0.314 4.664 4.350 0.001 0.000 0.259 125 T C 0.543 175.255 174.700 0.020 0.000 0.998 125 T CA -0.577 61.533 62.100 0.018 0.000 0.905 125 T CB -0.569 68.309 68.868 0.018 0.000 1.067 125 T HN 0.051 nan 8.240 nan 0.000 0.569 126 L N 1.629 122.865 121.223 0.022 0.000 2.436 126 L HA 0.369 4.709 4.340 0.001 0.000 0.265 126 L C 1.047 177.928 176.870 0.020 0.000 1.168 126 L CA -0.680 54.176 54.840 0.027 0.000 0.815 126 L CB 0.891 42.970 42.059 0.034 0.000 1.109 126 L HN 0.220 nan 8.230 nan 0.000 0.462 127 S N 1.842 117.557 115.700 0.024 0.000 2.560 127 S HA 0.113 4.583 4.470 0.001 0.000 0.284 127 S C -1.479 173.129 174.600 0.013 0.000 1.327 127 S CA -1.055 57.156 58.200 0.018 0.000 1.055 127 S CB 0.869 64.082 63.200 0.022 0.000 0.868 127 S HN 0.382 nan 8.310 nan 0.000 0.506 128 P HA -0.071 nan 4.420 nan 0.000 0.222 128 P C 1.191 178.491 177.300 0.001 0.000 1.142 128 P CA 1.126 64.223 63.100 -0.005 0.000 0.788 128 P CB -0.111 31.585 31.700 -0.006 0.000 0.767 129 T N -6.093 108.470 114.554 0.015 0.000 3.100 129 T HA 0.142 4.493 4.350 0.001 0.000 0.253 129 T C 0.900 175.630 174.700 0.050 0.000 1.118 129 T CA -0.066 62.050 62.100 0.026 0.000 1.058 129 T CB -0.405 68.480 68.868 0.028 0.000 0.953 129 T HN -0.122 nan 8.240 nan 0.000 0.515 130 S N 1.016 116.749 115.700 0.054 0.000 2.610 130 S HA 0.383 4.854 4.470 0.001 0.000 0.273 130 S C -0.790 173.886 174.600 0.126 0.000 1.274 130 S CA -0.985 57.275 58.200 0.100 0.000 1.023 130 S CB 0.401 63.656 63.200 0.092 0.000 0.962 130 S HN 0.616 nan 8.310 nan 0.000 0.523 131 W N 2.882 124.190 121.300 0.013 0.000 2.368 131 W HA 0.222 4.881 4.660 -0.002 0.000 0.316 131 W C -0.058 176.475 176.519 0.023 0.000 1.375 131 W CA 0.179 57.532 57.345 0.013 0.000 1.261 131 W CB 0.358 29.827 29.460 0.015 0.000 1.298 131 W HN 0.360 nan 8.180 nan 0.000 0.539 132 Q N 4.943 124.456 119.800 -0.478 0.000 2.321 132 Q HA 0.455 4.795 4.340 0.001 0.000 0.270 132 Q C -0.120 175.283 176.000 -0.995 0.000 1.032 132 Q CA -0.584 54.931 55.803 -0.480 0.000 0.784 132 Q CB 1.918 30.540 28.738 -0.193 0.000 1.264 132 Q HN 0.639 nan 8.270 nan 0.000 0.448 133 A N 1.723 124.056 122.820 -0.812 0.000 2.429 133 A HA 0.211 4.531 4.320 0.001 0.000 0.242 133 A C 0.726 178.136 177.584 -0.290 0.000 1.088 133 A CA 0.249 52.022 52.037 -0.440 0.000 0.784 133 A CB 0.333 19.557 19.000 0.373 0.000 1.038 133 A HN 0.740 nan 8.150 nan 0.000 0.501 134 S N -0.807 114.767 115.700 -0.210 0.000 2.540 134 S HA 0.208 4.678 4.470 0.001 0.000 0.218 134 S C 0.517 175.008 174.600 -0.182 0.000 0.977 134 S CA 0.486 58.570 58.200 -0.193 0.000 0.918 134 S CB -0.175 62.935 63.200 -0.150 0.000 0.806 134 S HN 1.155 nan 8.310 nan 0.000 0.496 135 T N -1.050 113.419 114.554 -0.142 0.000 2.883 135 T HA 0.662 5.013 4.350 0.001 0.000 0.296 135 T C -0.938 173.617 174.700 -0.241 0.000 1.117 135 T CA -0.788 61.233 62.100 -0.132 0.000 1.006 135 T CB 0.789 69.708 68.868 0.084 0.000 1.191 135 T HN -0.032 nan 8.240 nan 0.000 0.508 136 F N 3.111 123.122 119.950 0.100 0.000 2.499 136 F HA 0.406 4.934 4.527 0.001 0.000 0.353 136 F C 0.379 176.185 175.800 0.010 0.000 1.196 136 F CA -1.592 56.405 58.000 -0.005 0.000 1.244 136 F CB -0.706 38.274 39.000 -0.033 0.000 1.577 136 F HN 0.554 nan 8.300 nan 0.000 0.614 137 F N -0.701 119.335 119.950 0.144 0.000 2.406 137 F HA 0.516 5.045 4.527 0.004 0.000 0.327 137 F C 0.074 175.941 175.800 0.112 0.000 1.153 137 F CA -1.754 56.315 58.000 0.115 0.000 1.218 137 F CB -0.164 38.893 39.000 0.095 0.000 1.215 137 F HN -0.093 nan 8.300 nan 0.000 0.570 138 V N 4.159 124.189 119.914 0.194 0.000 2.475 138 V HA 0.137 4.258 4.120 0.001 0.000 0.292 138 V C 0.392 176.548 176.094 0.104 0.000 1.003 138 V CA 0.230 62.592 62.300 0.103 0.000 1.120 138 V CB -1.248 30.650 31.823 0.125 0.000 0.937 138 V HN 0.949 nan 8.190 nan 0.000 0.476 139 R N 3.361 123.835 120.500 -0.042 0.000 2.795 139 R HA 0.449 4.790 4.340 0.001 0.000 0.268 139 R C -0.262 176.023 176.300 -0.026 0.000 1.041 139 R CA -1.069 55.012 56.100 -0.031 0.000 0.927 139 R CB 0.659 30.808 30.300 -0.253 0.000 1.235 139 R HN 0.383 nan 8.270 nan 0.000 0.463 140 N N -0.006 118.694 118.700 -0.000 0.000 2.701 140 N HA -0.229 4.511 4.740 0.001 0.000 0.257 140 N C 0.871 176.381 175.510 0.001 0.000 0.969 140 N CA 1.845 54.895 53.050 0.000 0.000 0.786 140 N CB -1.293 37.189 38.487 -0.008 0.000 0.917 140 N HN 1.058 nan 8.380 nan 0.000 0.541 141 G N -1.908 106.898 108.800 0.010 0.000 2.175 141 G HA2 -0.369 3.591 3.960 0.001 0.000 0.265 141 G HA3 -0.369 3.591 3.960 0.001 0.000 0.265 141 G C 0.400 175.302 174.900 0.004 0.000 0.979 141 G CA 0.837 45.942 45.100 0.010 0.000 0.663 141 G HN 1.045 nan 8.290 nan 0.000 0.533 142 S N -0.482 115.216 115.700 -0.003 0.000 2.569 142 S HA 0.315 4.786 4.470 0.001 0.000 0.274 142 S C 0.273 174.868 174.600 -0.007 0.000 1.353 142 S CA 0.165 58.359 58.200 -0.010 0.000 1.023 142 S CB 1.339 64.528 63.200 -0.017 0.000 0.876 142 S HN 0.751 nan 8.310 nan 0.000 0.540 143 N N 2.077 120.764 118.700 -0.022 0.000 2.558 143 N HA 0.307 5.048 4.740 0.001 0.000 0.233 143 N C -1.755 173.740 175.510 -0.025 0.000 1.038 143 N CA -2.578 50.449 53.050 -0.039 0.000 0.934 143 N CB 0.825 39.258 38.487 -0.090 0.000 1.175 143 N HN 0.295 nan 8.380 nan 0.000 0.512 144 P HA -0.056 nan 4.420 nan 0.000 0.239 144 P C 0.193 177.518 177.300 0.041 0.000 1.184 144 P CA 0.780 63.898 63.100 0.030 0.000 0.760 144 P CB 0.485 32.216 31.700 0.052 0.000 0.884 145 E N -0.393 119.817 120.200 0.017 0.000 2.358 145 E HA -0.067 4.284 4.350 0.001 0.000 0.195 145 E C 0.872 177.490 176.600 0.031 0.000 1.010 145 E CA 0.463 56.896 56.400 0.054 0.000 0.856 145 E CB -0.092 29.592 29.700 -0.027 0.000 0.795 145 E HN 0.302 nan 8.360 nan 0.000 0.504 146 Q N 2.105 121.889 119.800 -0.026 0.000 2.296 146 Q HA 0.019 4.359 4.340 0.001 0.000 0.262 146 Q C -0.730 175.286 176.000 0.025 0.000 0.981 146 Q CA -0.024 55.767 55.803 -0.022 0.000 0.905 146 Q CB 0.726 29.439 28.738 -0.041 0.000 1.186 146 Q HN -0.188 nan 8.270 nan 0.000 0.399 147 D N 5.674 126.105 120.400 0.052 0.000 2.325 147 D HA 0.113 4.753 4.640 0.001 0.000 0.251 147 D C -1.786 174.532 176.300 0.029 0.000 1.196 147 D CA -1.994 52.034 54.000 0.048 0.000 0.866 147 D CB 1.343 42.182 40.800 0.066 0.000 1.101 147 D HN 0.404 nan 8.370 nan 0.000 0.476 148 P HA -0.076 nan 4.420 nan 0.000 0.222 148 P C 1.256 178.557 177.300 0.001 0.000 1.147 148 P CA 0.812 63.911 63.100 -0.001 0.000 0.790 148 P CB 0.289 31.977 31.700 -0.020 0.000 0.780 149 L N -1.468 119.759 121.223 0.006 0.000 2.585 149 L HA 0.163 4.503 4.340 0.001 0.000 0.226 149 L C 1.153 178.029 176.870 0.009 0.000 1.113 149 L CA 0.263 55.105 54.840 0.003 0.000 0.876 149 L CB -0.176 41.883 42.059 -0.001 0.000 1.072 149 L HN -0.144 nan 8.230 nan 0.000 0.468 150 R N -0.360 120.154 120.500 0.024 0.000 2.881 150 R HA 0.250 4.590 4.340 0.001 0.000 0.331 150 R C -0.384 175.956 176.300 0.066 0.000 1.207 150 R CA -0.309 55.811 56.100 0.033 0.000 1.265 150 R CB 0.018 30.341 30.300 0.038 0.000 1.351 150 R HN -0.004 nan 8.270 nan 0.000 0.613 151 N N 0.732 119.450 118.700 0.031 0.000 2.502 151 N HA 0.367 5.107 4.740 0.001 0.000 0.280 151 N C -0.487 174.942 175.510 -0.135 0.000 1.223 151 N CA -0.753 52.320 53.050 0.038 0.000 0.966 151 N CB 1.099 39.611 38.487 0.041 0.000 1.203 151 N HN 0.188 nan 8.380 nan 0.000 0.565 152 L N 1.853 122.896 121.223 -0.301 0.000 2.843 152 L HA 0.197 4.537 4.340 0.001 0.000 0.234 152 L C 1.454 178.208 176.870 -0.194 0.000 1.264 152 L CA -0.236 54.304 54.840 -0.500 0.000 1.052 152 L CB 0.101 41.466 42.059 -1.156 0.000 1.372 152 L HN 0.609 nan 8.230 nan 0.000 0.466 153 S N -0.364 115.290 115.700 -0.077 0.000 2.399 153 S HA -0.272 4.198 4.470 0.001 0.000 0.235 153 S C 2.030 176.618 174.600 -0.020 0.000 1.063 153 S CA 1.718 59.907 58.200 -0.017 0.000 1.070 153 S CB -0.718 62.471 63.200 -0.018 0.000 0.904 153 S HN 0.632 nan 8.310 nan 0.000 0.456 154 G N 1.681 110.451 108.800 -0.050 0.000 2.448 154 G HA2 -0.079 3.882 3.960 0.001 0.000 0.219 154 G HA3 -0.079 3.882 3.960 0.001 0.000 0.219 154 G C 0.681 175.567 174.900 -0.023 0.000 1.127 154 G CA 0.221 45.297 45.100 -0.041 0.000 0.766 154 G HN 0.433 nan 8.290 nan 0.000 0.552 155 Q N 0.591 120.371 119.800 -0.034 0.000 2.315 155 Q HA 0.452 4.792 4.340 0.001 0.000 0.289 155 Q C 0.058 176.110 176.000 0.087 0.000 1.044 155 Q CA 0.474 56.294 55.803 0.028 0.000 0.920 155 Q CB 1.193 29.968 28.738 0.062 0.000 1.214 155 Q HN 0.331 nan 8.270 nan 0.000 0.392 156 A N 1.984 124.861 122.820 0.096 0.000 2.593 156 A HA 0.808 5.128 4.320 0.001 0.000 0.290 156 A C -0.995 176.670 177.584 0.135 0.000 1.126 156 A CA -0.356 51.742 52.037 0.101 0.000 0.695 156 A CB 1.389 20.430 19.000 0.068 0.000 1.290 156 A HN 0.525 nan 8.150 nan 0.000 0.414 157 V N -3.160 116.843 119.914 0.149 0.000 3.181 157 V HA 0.947 5.067 4.120 0.001 0.000 0.308 157 V C -0.678 175.505 176.094 0.149 0.000 1.214 157 V CA -0.585 61.822 62.300 0.178 0.000 1.053 157 V CB 1.508 33.493 31.823 0.270 0.000 1.069 157 V HN 0.971 nan 8.190 nan 0.000 0.441 158 T N 1.879 116.512 114.554 0.132 0.000 2.840 158 T HA 0.586 4.936 4.350 0.001 0.000 0.287 158 T C -0.527 174.201 174.700 0.047 0.000 0.991 158 T CA -0.447 61.714 62.100 0.101 0.000 0.964 158 T CB 1.065 70.004 68.868 0.118 0.000 0.954 158 T HN 0.771 nan 8.240 nan 0.000 0.438 159 R N 2.446 122.967 120.500 0.034 0.000 2.287 159 R HA 0.646 4.986 4.340 0.001 0.000 0.316 159 R C -0.773 175.536 176.300 0.016 0.000 1.050 159 R CA -0.738 55.357 56.100 -0.009 0.000 0.983 159 R CB 1.028 31.295 30.300 -0.055 0.000 1.140 159 R HN 0.512 nan 8.270 nan 0.000 0.528 160 V N -1.109 118.811 119.914 0.010 0.000 2.924 160 V HA 0.293 4.414 4.120 0.001 0.000 0.300 160 V C -0.087 176.012 176.094 0.010 0.000 1.227 160 V CA -1.172 61.141 62.300 0.020 0.000 0.954 160 V CB 1.775 33.617 31.823 0.032 0.000 1.055 160 V HN 0.270 nan 8.190 nan 0.000 0.429 161 V N 5.025 124.950 119.914 0.018 0.000 2.583 161 V HA 0.393 4.514 4.120 0.001 0.000 0.302 161 V C 1.856 177.953 176.094 0.006 0.000 1.033 161 V CA 2.289 64.600 62.300 0.017 0.000 1.194 161 V CB 0.008 31.847 31.823 0.028 0.000 0.879 161 V HN 2.240 nan 8.190 nan 0.000 0.482 162 G N 3.066 111.861 108.800 -0.008 0.000 2.213 162 G HA2 0.064 4.024 3.960 0.001 0.000 0.226 162 G HA3 0.064 4.024 3.960 0.001 0.000 0.226 162 G C 0.999 175.848 174.900 -0.086 0.000 0.992 162 G CA 0.230 45.308 45.100 -0.038 0.000 0.632 162 G HN 2.268 nan 8.290 nan 0.000 0.511 163 G N -0.012 108.750 108.800 -0.064 0.000 2.633 163 G HA2 -0.187 3.774 3.960 0.001 0.000 0.263 163 G HA3 -0.187 3.774 3.960 0.001 0.000 0.263 163 G C 1.088 175.892 174.900 -0.161 0.000 1.310 163 G CA 0.808 45.860 45.100 -0.081 0.000 0.914 163 G HN 1.082 nan 8.290 nan 0.000 0.569 164 M N 1.133 120.610 119.600 -0.204 0.000 2.539 164 M HA -0.058 4.422 4.480 0.001 0.000 0.261 164 M C 2.670 178.576 176.300 -0.657 0.000 1.069 164 M CA 1.769 56.806 55.300 -0.439 0.000 1.081 164 M CB -0.343 32.114 32.600 -0.238 0.000 1.412 164 M HN 0.808 nan 8.290 nan 0.000 0.482 165 S N -0.151 115.230 115.700 -0.532 0.000 2.603 165 S HA -0.067 4.403 4.470 0.001 0.000 0.229 165 S C 1.632 175.995 174.600 -0.394 0.000 0.972 165 S CA 1.199 58.961 58.200 -0.730 0.000 0.935 165 S CB -0.787 62.003 63.200 -0.683 0.000 0.769 165 S HN 0.586 nan 8.310 nan 0.000 0.536 166 T N -1.074 113.293 114.554 -0.311 0.000 3.113 166 T HA 0.073 4.424 4.350 0.001 0.000 0.256 166 T C 1.333 175.832 174.700 -0.335 0.000 1.131 166 T CA 0.826 62.800 62.100 -0.210 0.000 1.074 166 T CB -0.657 68.183 68.868 -0.047 0.000 0.944 166 T HN 0.918 nan 8.240 nan 0.000 0.516 167 H N -1.977 116.934 119.070 -0.266 0.000 3.680 167 H HA 0.217 4.775 4.556 0.003 0.000 0.260 167 H C 0.502 175.987 175.328 0.262 0.000 1.183 167 H CA -1.080 54.980 56.048 0.019 0.000 1.159 167 H CB -0.289 29.540 29.762 0.112 0.000 1.567 167 H HN 0.453 nan 8.280 nan 0.000 0.648 168 W N 3.138 124.425 121.300 -0.022 0.000 2.034 168 W HA 0.314 4.973 4.660 -0.001 0.000 0.357 168 W C 0.014 176.665 176.519 0.219 0.000 1.326 168 W CA 0.200 57.653 57.345 0.181 0.000 1.318 168 W CB -0.040 29.422 29.460 0.004 0.000 1.193 168 W HN -0.113 nan 8.180 nan 0.000 0.620 169 T N 0.114 114.604 114.554 -0.106 0.000 3.054 169 T HA 0.010 4.360 4.350 0.001 0.000 0.259 169 T C 0.982 175.209 174.700 -0.788 0.000 1.092 169 T CA 0.993 62.853 62.100 -0.400 0.000 1.121 169 T CB -0.554 68.243 68.868 -0.118 0.000 0.912 169 T HN 0.682 nan 8.240 nan 0.000 0.489 170 C N 1.105 119.621 119.300 -1.306 0.000 4.657 170 C HA -0.064 4.396 4.460 0.001 0.000 0.259 170 C C 1.129 175.609 174.990 -0.851 0.000 1.235 170 C CA -0.989 57.014 59.018 -1.691 0.000 1.733 170 C CB -2.742 24.479 27.740 -0.865 0.000 1.495 170 C HN 0.829 nan 8.230 nan 0.000 0.704 171 A N 1.401 123.912 122.820 -0.515 0.000 2.473 171 A HA 0.481 4.801 4.320 0.001 0.000 0.282 171 A C 0.844 178.302 177.584 -0.210 0.000 1.163 171 A CA 1.381 53.266 52.037 -0.254 0.000 0.827 171 A CB 0.034 18.954 19.000 -0.134 0.000 1.098 171 A HN 1.415 nan 8.150 nan 0.000 0.515 172 T N 2.228 116.684 114.554 -0.163 0.000 3.331 172 T HA 0.558 4.909 4.350 0.001 0.000 0.381 172 T C -2.538 172.116 174.700 -0.077 0.000 1.656 172 T CA -1.605 60.446 62.100 -0.083 0.000 1.453 172 T CB 0.819 69.663 68.868 -0.041 0.000 1.066 172 T HN 0.466 nan 8.240 nan 0.000 0.655 173 P HA 0.517 nan 4.420 nan 0.000 0.281 173 P C -0.391 176.769 177.300 -0.233 0.000 1.281 173 P CA -0.832 62.170 63.100 -0.162 0.000 0.811 173 P CB 1.481 33.058 31.700 -0.204 0.000 1.154 174 R N -0.473 119.826 120.500 -0.334 0.000 2.691 174 R HA 0.585 4.925 4.340 0.001 0.000 0.259 174 R C -0.291 175.949 176.300 -0.099 0.000 1.048 174 R CA -0.654 55.085 56.100 -0.601 0.000 1.086 174 R CB 0.546 30.279 30.300 -0.946 0.000 1.166 174 R HN 0.353 nan 8.270 nan 0.000 0.526 175 F N 1.295 121.034 119.950 -0.352 0.000 2.399 175 F HA 0.149 4.676 4.527 0.000 0.000 0.334 175 F C 0.875 176.506 175.800 -0.280 0.000 1.097 175 F CA -1.504 56.308 58.000 -0.312 0.000 1.076 175 F CB 0.699 39.500 39.000 -0.333 0.000 1.162 175 F HN 0.519 nan 8.300 nan 0.000 0.495 176 D N 2.512 122.854 120.400 -0.097 0.000 2.447 176 D HA 0.153 4.794 4.640 0.001 0.000 0.265 176 D C 0.988 177.224 176.300 -0.107 0.000 1.250 176 D CA -0.444 53.504 54.000 -0.087 0.000 1.046 176 D CB 0.702 41.470 40.800 -0.054 0.000 1.095 176 D HN 0.314 nan 8.370 nan 0.000 0.555 177 R N 0.055 120.513 120.500 -0.070 0.000 2.117 177 R HA -0.166 4.175 4.340 0.001 0.000 0.243 177 R C 1.755 178.018 176.300 -0.061 0.000 1.143 177 R CA 1.065 57.129 56.100 -0.060 0.000 0.968 177 R CB -0.579 29.713 30.300 -0.013 0.000 0.863 177 R HN 0.662 nan 8.270 nan 0.000 0.444 178 E N 0.805 120.968 120.200 -0.061 0.000 2.482 178 E HA -0.095 4.255 4.350 0.001 0.000 0.196 178 E C 0.906 177.421 176.600 -0.141 0.000 1.047 178 E CA 0.349 56.722 56.400 -0.044 0.000 0.869 178 E CB 0.306 30.038 29.700 0.053 0.000 0.836 178 E HN 0.451 nan 8.360 nan 0.000 0.520 179 Q N -0.485 119.164 119.800 -0.252 0.000 2.217 179 Q HA 0.177 4.518 4.340 0.001 0.000 0.217 179 Q C 0.164 176.160 176.000 -0.007 0.000 0.844 179 Q CA -0.168 55.455 55.803 -0.301 0.000 0.957 179 Q CB 0.963 29.219 28.738 -0.803 0.000 1.127 179 Q HN -0.120 nan 8.270 nan 0.000 0.503 180 R N 2.400 122.875 120.500 -0.040 0.000 2.346 180 R HA 0.302 4.643 4.340 0.001 0.000 0.311 180 R C -2.524 173.755 176.300 -0.035 0.000 0.983 180 R CA -2.031 54.001 56.100 -0.114 0.000 0.880 180 R CB 0.941 31.024 30.300 -0.361 0.000 1.100 180 R HN -0.103 nan 8.270 nan 0.000 0.453 181 P HA 0.034 nan 4.420 nan 0.000 0.271 181 P C -0.537 176.903 177.300 0.232 0.000 1.218 181 P CA -0.113 63.054 63.100 0.113 0.000 0.780 181 P CB 0.636 32.407 31.700 0.119 0.000 0.901 182 L N 3.093 124.419 121.223 0.172 0.000 2.410 182 L HA 0.100 4.441 4.340 0.001 0.000 0.273 182 L C 1.809 178.844 176.870 0.275 0.000 1.152 182 L CA -0.141 54.879 54.840 0.300 0.000 0.855 182 L CB 0.188 42.468 42.059 0.368 0.000 1.129 182 L HN 0.387 nan 8.230 nan 0.000 0.463 183 L N 3.804 125.234 121.223 0.346 0.000 2.375 183 L HA 0.124 4.464 4.340 0.001 0.000 0.215 183 L C 0.038 177.107 176.870 0.330 0.000 1.108 183 L CA 0.382 55.299 54.840 0.128 0.000 0.830 183 L CB 0.384 42.275 42.059 -0.281 0.000 0.959 183 L HN 0.369 nan 8.230 nan 0.000 0.457 184 V N 0.103 120.226 119.914 0.350 0.000 2.789 184 V HA 0.268 4.389 4.120 0.001 0.000 0.311 184 V C -0.603 175.609 176.094 0.196 0.000 1.073 184 V CA -1.012 61.418 62.300 0.217 0.000 0.921 184 V CB 2.094 33.977 31.823 0.100 0.000 1.009 184 V HN 0.147 nan 8.190 nan 0.000 0.426 185 K N 1.471 121.836 120.400 -0.058 0.000 2.138 185 K HA 0.584 4.905 4.320 0.001 0.000 0.263 185 K C -0.579 176.003 176.600 -0.029 0.000 0.965 185 K CA -0.600 55.668 56.287 -0.031 0.000 0.868 185 K CB 1.354 33.747 32.500 -0.178 0.000 1.083 185 K HN 0.652 nan 8.250 nan 0.000 0.443 186 D N 0.935 121.348 120.400 0.021 0.000 2.870 186 D HA -0.153 4.487 4.640 0.001 0.000 0.228 186 D C -0.835 175.477 176.300 0.021 0.000 1.147 186 D CA 1.230 55.240 54.000 0.016 0.000 0.757 186 D CB -0.610 40.186 40.800 -0.007 0.000 1.091 186 D HN 0.795 nan 8.370 nan 0.000 0.429 187 D N -1.022 119.401 120.400 0.039 0.000 2.752 187 D HA 0.359 4.999 4.640 0.001 0.000 0.242 187 D C 1.182 177.520 176.300 0.063 0.000 1.295 187 D CA 0.288 54.312 54.000 0.040 0.000 0.846 187 D CB 0.418 41.234 40.800 0.027 0.000 1.454 187 D HN 0.028 nan 8.370 nan 0.000 0.535 188 A N 2.075 124.934 122.820 0.066 0.000 1.896 188 A HA -0.264 4.057 4.320 0.001 0.000 0.220 188 A C 1.718 179.351 177.584 0.081 0.000 1.206 188 A CA 1.856 53.940 52.037 0.078 0.000 0.647 188 A CB -0.186 18.850 19.000 0.060 0.000 0.828 188 A HN 0.522 nan 8.150 nan 0.000 0.455 189 D N -0.133 120.303 120.400 0.061 0.000 2.092 189 D HA -0.143 4.497 4.640 0.001 0.000 0.193 189 D C 2.329 178.667 176.300 0.063 0.000 0.994 189 D CA 1.648 55.682 54.000 0.057 0.000 0.828 189 D CB -0.561 40.263 40.800 0.041 0.000 0.963 189 D HN 0.477 nan 8.370 nan 0.000 0.450 190 A N 1.450 124.303 122.820 0.055 0.000 1.869 190 A HA -0.293 4.027 4.320 0.001 0.000 0.218 190 A C 2.023 179.653 177.584 0.076 0.000 1.203 190 A CA 2.509 54.577 52.037 0.051 0.000 0.638 190 A CB -0.967 18.056 19.000 0.039 0.000 0.831 190 A HN 0.213 nan 8.150 nan 0.000 0.450 191 D N -0.551 119.918 120.400 0.115 0.000 2.133 191 D HA -0.172 4.469 4.640 0.001 0.000 0.195 191 D C 1.300 177.759 176.300 0.266 0.000 0.997 191 D CA 1.793 55.910 54.000 0.195 0.000 0.840 191 D CB -0.246 40.699 40.800 0.242 0.000 0.947 191 D HN 0.427 nan 8.370 nan 0.000 0.452 192 D N -0.587 119.935 120.400 0.203 0.000 2.144 192 D HA -0.022 4.618 4.640 0.001 0.000 0.200 192 D C 1.979 178.381 176.300 0.170 0.000 0.978 192 D CA 1.314 55.435 54.000 0.201 0.000 0.833 192 D CB -0.525 40.351 40.800 0.126 0.000 0.961 192 D HN 0.311 nan 8.370 nan 0.000 0.470 193 A N 0.771 123.655 122.820 0.107 0.000 1.858 193 A HA -0.216 4.105 4.320 0.001 0.000 0.216 193 A C 2.153 179.765 177.584 0.046 0.000 1.190 193 A CA 1.712 53.789 52.037 0.066 0.000 0.617 193 A CB -0.593 18.430 19.000 0.038 0.000 0.827 193 A HN 0.069 nan 8.150 nan 0.000 0.443 194 E N -0.834 119.374 120.200 0.012 0.000 2.038 194 E HA -0.205 4.146 4.350 0.001 0.000 0.195 194 E C 1.704 178.224 176.600 -0.133 0.000 1.000 194 E CA 1.571 57.907 56.400 -0.107 0.000 0.803 194 E CB -0.411 29.172 29.700 -0.194 0.000 0.750 194 E HN 0.755 nan 8.360 nan 0.000 0.448 195 W N 0.585 121.851 121.300 -0.056 0.000 2.381 195 W HA -0.126 4.535 4.660 0.001 0.000 0.301 195 W C 2.248 178.755 176.519 -0.020 0.000 1.205 195 W CA 1.198 58.474 57.345 -0.116 0.000 1.285 195 W CB -0.435 28.990 29.460 -0.058 0.000 1.133 195 W HN 0.199 nan 8.180 nan 0.000 0.521 196 D N 0.130 120.701 120.400 0.285 0.000 2.123 196 D HA -0.245 4.396 4.640 0.001 0.000 0.196 196 D C 2.137 178.510 176.300 0.122 0.000 0.992 196 D CA 1.695 55.825 54.000 0.218 0.000 0.833 196 D CB -0.239 40.647 40.800 0.144 0.000 0.954 196 D HN -0.019 nan 8.370 nan 0.000 0.455 197 R N -0.365 120.161 120.500 0.044 0.000 2.073 197 R HA -0.068 4.272 4.340 0.001 0.000 0.234 197 R C 2.493 178.760 176.300 -0.056 0.000 1.134 197 R CA 1.147 57.238 56.100 -0.016 0.000 0.952 197 R CB -0.291 29.979 30.300 -0.049 0.000 0.850 197 R HN 0.277 nan 8.270 nan 0.000 0.433 198 L N -0.571 120.586 121.223 -0.110 0.000 2.109 198 L HA -0.158 4.183 4.340 0.001 0.000 0.207 198 L C 2.293 179.106 176.870 -0.094 0.000 1.086 198 L CA 0.973 55.701 54.840 -0.188 0.000 0.760 198 L CB -0.533 41.306 42.059 -0.365 0.000 0.910 198 L HN 0.214 nan 8.230 nan 0.000 0.437 199 Y N 0.566 120.881 120.300 0.024 0.000 2.181 199 Y HA -0.226 4.324 4.550 0.001 0.000 0.288 199 Y C 2.879 178.772 175.900 -0.012 0.000 1.146 199 Y CA 1.542 59.669 58.100 0.045 0.000 1.164 199 Y CB -0.977 37.539 38.460 0.093 0.000 0.982 199 Y HN 0.118 nan 8.280 nan 0.000 0.515 200 T N -0.534 114.100 114.554 0.133 0.000 2.788 200 T HA -0.189 4.161 4.350 0.001 0.000 0.268 200 T C 1.960 176.631 174.700 -0.049 0.000 1.044 200 T CA 1.584 63.710 62.100 0.044 0.000 1.139 200 T CB -0.140 68.743 68.868 0.025 0.000 0.867 200 T HN 0.179 nan 8.240 nan 0.000 0.454 201 K N 0.889 121.206 120.400 -0.138 0.000 2.057 201 K HA 0.049 4.369 4.320 0.001 0.000 0.206 201 K C 2.464 178.775 176.600 -0.482 0.000 1.050 201 K CA 1.042 57.113 56.287 -0.360 0.000 0.935 201 K CB -0.281 31.962 32.500 -0.428 0.000 0.715 201 K HN 0.262 nan 8.250 nan 0.000 0.439 202 A N 1.220 123.905 122.820 -0.224 0.000 1.877 202 A HA -0.218 4.102 4.320 0.001 0.000 0.216 202 A C 1.850 179.497 177.584 0.105 0.000 1.186 202 A CA 1.808 53.811 52.037 -0.057 0.000 0.620 202 A CB -0.528 18.546 19.000 0.125 0.000 0.822 202 A HN 0.433 nan 8.150 nan 0.000 0.443 203 E N -0.251 120.022 120.200 0.121 0.000 2.118 203 E HA -0.176 4.175 4.350 0.001 0.000 0.195 203 E C 2.328 179.004 176.600 0.127 0.000 0.992 203 E CA 1.305 57.798 56.400 0.155 0.000 0.804 203 E CB -0.199 29.559 29.700 0.098 0.000 0.741 203 E HN 0.702 nan 8.360 nan 0.000 0.458 204 S N 0.207 115.925 115.700 0.029 0.000 2.343 204 S HA -0.209 4.261 4.470 0.001 0.000 0.219 204 S C 1.993 176.690 174.600 0.162 0.000 1.033 204 S CA 1.060 59.284 58.200 0.039 0.000 1.014 204 S CB -0.426 62.735 63.200 -0.064 0.000 0.915 204 S HN 0.247 nan 8.310 nan 0.000 0.435 205 Y N 0.364 120.670 120.300 0.011 0.000 2.193 205 Y HA -0.010 4.541 4.550 0.000 0.000 0.285 205 Y C 2.092 177.988 175.900 -0.007 0.000 1.166 205 Y CA 0.491 58.559 58.100 -0.053 0.000 1.181 205 Y CB -1.078 37.270 38.460 -0.186 0.000 0.976 205 Y HN 0.356 nan 8.280 nan 0.000 0.520 206 F N -0.159 119.946 119.950 0.259 0.000 2.776 206 F HA 0.081 4.609 4.527 0.001 0.000 0.300 206 F C 0.847 176.758 175.800 0.184 0.000 1.116 206 F CA -0.017 58.127 58.000 0.239 0.000 1.375 206 F CB -0.145 39.021 39.000 0.276 0.000 1.109 206 F HN -0.064 nan 8.300 nan 0.000 0.585 207 Q N 0.206 120.189 119.800 0.305 0.000 2.494 207 Q HA -0.186 4.154 4.340 0.001 0.000 0.272 207 Q C 0.067 176.157 176.000 0.150 0.000 1.145 207 Q CA 0.868 56.781 55.803 0.184 0.000 0.943 207 Q CB -2.735 26.090 28.738 0.146 0.000 1.338 207 Q HN 0.264 nan 8.270 nan 0.000 0.492 208 T N -0.204 114.456 114.554 0.177 0.000 2.928 208 T HA 0.457 4.808 4.350 0.001 0.000 0.305 208 T C 0.846 175.584 174.700 0.064 0.000 1.035 208 T CA 0.527 62.695 62.100 0.113 0.000 1.145 208 T CB 1.411 70.349 68.868 0.116 0.000 0.963 208 T HN 0.484 nan 8.240 nan 0.000 0.545 209 G N 0.509 109.332 108.800 0.039 0.000 2.721 209 G HA2 0.564 4.524 3.960 0.001 0.000 0.296 209 G HA3 0.564 4.524 3.960 0.001 0.000 0.296 209 G C -0.022 174.895 174.900 0.029 0.000 1.383 209 G CA -0.443 44.672 45.100 0.024 0.000 0.788 209 G HN 0.644 nan 8.290 nan 0.000 0.500 210 T N -2.539 112.032 114.554 0.029 0.000 3.275 210 T HA 0.249 4.600 4.350 0.001 0.000 0.298 210 T C 0.330 175.060 174.700 0.049 0.000 0.988 210 T CA 0.674 62.803 62.100 0.048 0.000 0.936 210 T CB 0.479 69.377 68.868 0.051 0.000 1.159 210 T HN 0.515 nan 8.240 nan 0.000 0.519 211 D N 0.902 121.311 120.400 0.015 0.000 2.454 211 D HA -0.000 4.640 4.640 0.001 0.000 0.214 211 D C 1.521 177.776 176.300 -0.075 0.000 1.088 211 D CA 0.128 54.119 54.000 -0.015 0.000 0.855 211 D CB -0.211 40.572 40.800 -0.029 0.000 1.025 211 D HN 0.224 nan 8.370 nan 0.000 0.502 212 Q N -0.250 119.492 119.800 -0.096 0.000 2.325 212 Q HA -0.035 4.306 4.340 0.001 0.000 0.211 212 Q C 0.506 176.187 176.000 -0.532 0.000 0.988 212 Q CA 1.257 56.880 55.803 -0.299 0.000 0.887 212 Q CB -0.467 28.078 28.738 -0.323 0.000 0.915 212 Q HN 0.375 nan 8.270 nan 0.000 0.440 213 F N -0.455 119.352 119.950 -0.239 0.000 2.724 213 F HA 0.223 4.750 4.527 0.001 0.000 0.310 213 F C 1.285 176.879 175.800 -0.343 0.000 1.107 213 F CA -0.580 57.220 58.000 -0.332 0.000 1.218 213 F CB 0.406 39.111 39.000 -0.492 0.000 1.042 213 F HN -0.026 nan 8.300 nan 0.000 0.540 214 K N 0.541 120.896 120.400 -0.075 0.000 2.113 214 K HA -0.183 4.138 4.320 0.001 0.000 0.208 214 K C 0.653 177.291 176.600 0.063 0.000 1.047 214 K CA 1.845 58.161 56.287 0.048 0.000 0.928 214 K CB -0.365 32.142 32.500 0.012 0.000 0.716 214 K HN 0.361 nan 8.250 nan 0.000 0.446 215 E N 1.612 121.725 120.200 -0.145 0.000 2.437 215 E HA 0.033 4.383 4.350 0.001 0.000 0.189 215 E C -0.277 176.306 176.600 -0.029 0.000 1.054 215 E CA -0.230 55.955 56.400 -0.359 0.000 0.874 215 E CB 0.605 29.873 29.700 -0.720 0.000 1.011 215 E HN 0.214 nan 8.360 nan 0.000 0.474 216 S N 0.807 116.584 115.700 0.130 0.000 2.505 216 S HA 0.162 4.633 4.470 0.001 0.000 0.276 216 S C 1.208 175.952 174.600 0.241 0.000 1.274 216 S CA -0.479 57.831 58.200 0.185 0.000 1.053 216 S CB 0.516 63.868 63.200 0.254 0.000 0.919 216 S HN 0.139 nan 8.310 nan 0.000 0.490 217 I N 4.872 125.447 120.570 0.008 0.000 2.113 217 I HA -0.191 3.980 4.170 0.001 0.000 0.238 217 I C 2.676 178.761 176.117 -0.053 0.000 1.070 217 I CA 1.343 62.457 61.300 -0.311 0.000 1.332 217 I CB -0.276 37.263 38.000 -0.769 0.000 1.044 217 I HN 0.689 nan 8.210 nan 0.000 0.402 218 R N -0.506 119.973 120.500 -0.035 0.000 2.091 218 R HA -0.260 4.081 4.340 0.001 0.000 0.238 218 R C 2.323 178.673 176.300 0.083 0.000 1.136 218 R CA 1.869 57.979 56.100 0.016 0.000 0.959 218 R CB -0.777 29.524 30.300 0.003 0.000 0.856 218 R HN 0.451 nan 8.270 nan 0.000 0.437 219 H N 1.153 120.259 119.070 0.061 0.000 2.251 219 H HA -0.094 4.462 4.556 0.000 0.000 0.294 219 H C 1.702 177.101 175.328 0.119 0.000 1.078 219 H CA 2.170 58.265 56.048 0.078 0.000 1.246 219 H CB -0.238 29.606 29.762 0.136 0.000 1.358 219 H HN 0.172 nan 8.280 nan 0.000 0.488 220 N N 0.029 118.842 118.700 0.189 0.000 2.205 220 N HA -0.148 4.592 4.740 0.001 0.000 0.186 220 N C 1.989 177.599 175.510 0.166 0.000 1.015 220 N CA 1.091 54.265 53.050 0.206 0.000 0.862 220 N CB -0.209 38.590 38.487 0.521 0.000 0.986 220 N HN 0.264 nan 8.380 nan 0.000 0.429 221 L N 1.460 122.810 121.223 0.211 0.000 1.970 221 L HA -0.150 4.190 4.340 0.001 0.000 0.212 221 L C 2.318 179.214 176.870 0.044 0.000 1.071 221 L CA 1.404 56.349 54.840 0.175 0.000 0.751 221 L CB -0.784 41.362 42.059 0.145 0.000 0.889 221 L HN -0.103 nan 8.230 nan 0.000 0.432 222 V N -0.516 119.386 119.914 -0.019 0.000 2.295 222 V HA -0.264 3.856 4.120 0.001 0.000 0.246 222 V C 2.385 178.378 176.094 -0.168 0.000 1.049 222 V CA 1.606 63.857 62.300 -0.083 0.000 1.024 222 V CB -0.875 30.875 31.823 -0.121 0.000 0.648 222 V HN 0.484 nan 8.190 nan 0.000 0.447 223 L N 1.259 122.348 121.223 -0.224 0.000 2.046 223 L HA -0.153 4.187 4.340 0.001 0.000 0.208 223 L C 2.203 178.985 176.870 -0.146 0.000 1.077 223 L CA 2.172 56.875 54.840 -0.228 0.000 0.747 223 L CB -1.617 40.287 42.059 -0.259 0.000 0.896 223 L HN 0.390 nan 8.230 nan 0.000 0.432 224 N N 0.426 119.083 118.700 -0.072 0.000 2.188 224 N HA -0.183 4.557 4.740 0.001 0.000 0.184 224 N C 1.768 177.247 175.510 -0.051 0.000 1.018 224 N CA 1.106 54.135 53.050 -0.034 0.000 0.858 224 N CB -0.261 38.221 38.487 -0.009 0.000 0.989 224 N HN 0.251 nan 8.380 nan 0.000 0.426 225 K N 1.491 121.855 120.400 -0.060 0.000 2.057 225 K HA 0.077 4.398 4.320 0.001 0.000 0.207 225 K C 1.893 178.446 176.600 -0.078 0.000 1.049 225 K CA 0.852 57.109 56.287 -0.050 0.000 0.931 225 K CB -0.455 32.029 32.500 -0.026 0.000 0.714 225 K HN 0.144 nan 8.250 nan 0.000 0.440 226 L N -0.077 121.031 121.223 -0.191 0.000 2.156 226 L HA -0.126 4.214 4.340 0.001 0.000 0.208 226 L C 2.092 178.893 176.870 -0.116 0.000 1.095 226 L CA 1.453 56.096 54.840 -0.329 0.000 0.770 226 L CB -0.584 40.811 42.059 -1.107 0.000 0.914 226 L HN 0.230 nan 8.230 nan 0.000 0.439 227 T N -1.027 113.496 114.554 -0.051 0.000 2.701 227 T HA -0.168 4.182 4.350 0.001 0.000 0.263 227 T C 1.722 176.508 174.700 0.143 0.000 1.040 227 T CA 0.931 63.136 62.100 0.176 0.000 1.147 227 T CB -0.108 68.841 68.868 0.135 0.000 0.865 227 T HN 0.281 nan 8.240 nan 0.000 0.426 228 E N 0.727 120.960 120.200 0.054 0.000 2.132 228 E HA -0.251 4.100 4.350 0.001 0.000 0.218 228 E C 2.336 178.950 176.600 0.023 0.000 1.058 228 E CA 1.514 57.928 56.400 0.023 0.000 0.882 228 E CB -0.109 29.583 29.700 -0.014 0.000 0.774 228 E HN 0.463 nan 8.360 nan 0.000 0.467 229 E N -0.373 119.829 120.200 0.004 0.000 2.047 229 E HA -0.144 4.207 4.350 0.001 0.000 0.191 229 E C 1.914 178.428 176.600 -0.143 0.000 0.987 229 E CA 0.924 57.259 56.400 -0.109 0.000 0.799 229 E CB -0.343 29.233 29.700 -0.208 0.000 0.752 229 E HN 0.449 nan 8.360 nan 0.000 0.449 230 Y N 1.285 121.659 120.300 0.122 0.000 2.578 230 Y HA -0.002 4.548 4.550 -0.000 0.000 0.297 230 Y C 0.468 176.427 175.900 0.098 0.000 1.176 230 Y CA 0.230 58.417 58.100 0.145 0.000 1.315 230 Y CB -0.263 38.358 38.460 0.269 0.000 1.031 230 Y HN -0.011 nan 8.280 nan 0.000 0.524 231 K N -0.072 120.420 120.400 0.153 0.000 3.139 231 K HA -0.267 4.054 4.320 0.001 0.000 0.261 231 K C 0.821 177.480 176.600 0.098 0.000 0.895 231 K CA 0.673 57.017 56.287 0.094 0.000 0.664 231 K CB -2.343 30.183 32.500 0.044 0.000 1.388 231 K HN 0.571 nan 8.250 nan 0.000 0.472 232 G N 0.461 109.337 108.800 0.126 0.000 2.368 232 G HA2 -0.306 3.654 3.960 0.001 0.000 0.290 232 G HA3 -0.306 3.654 3.960 0.001 0.000 0.290 232 G C 0.213 175.170 174.900 0.095 0.000 1.098 232 G CA 0.500 45.658 45.100 0.095 0.000 1.073 232 G HN 0.571 nan 8.290 nan 0.000 0.511 233 Q N -1.156 118.725 119.800 0.135 0.000 2.391 233 Q HA 0.248 4.588 4.340 0.001 0.000 0.243 233 Q C 1.340 177.376 176.000 0.061 0.000 0.874 233 Q CA 0.388 56.258 55.803 0.112 0.000 0.950 233 Q CB 0.686 29.526 28.738 0.171 0.000 1.103 233 Q HN 0.532 nan 8.270 nan 0.000 0.544 234 R N 0.691 121.215 120.500 0.040 0.000 2.538 234 R HA 0.268 4.608 4.340 0.001 0.000 0.292 234 R C -1.679 174.503 176.300 -0.195 0.000 1.008 234 R CA -0.519 55.485 56.100 -0.161 0.000 0.896 234 R CB 1.797 31.803 30.300 -0.491 0.000 1.187 234 R HN 0.055 nan 8.270 nan 0.000 0.440 235 D N 2.208 122.482 120.400 -0.210 0.000 2.348 235 D HA 0.180 4.821 4.640 0.001 0.000 0.253 235 D C -0.822 175.287 176.300 -0.318 0.000 1.161 235 D CA 0.699 54.616 54.000 -0.139 0.000 0.876 235 D CB 0.565 41.319 40.800 -0.076 0.000 1.160 235 D HN 0.143 nan 8.370 nan 0.000 0.459 236 F N 1.720 121.670 119.950 0.001 0.000 2.492 236 F HA 0.452 4.979 4.527 0.000 0.000 0.327 236 F C 0.519 176.325 175.800 0.010 0.000 1.079 236 F CA -0.543 57.451 58.000 -0.010 0.000 0.967 236 F CB 1.558 40.553 39.000 -0.008 0.000 1.169 236 F HN 0.305 nan 8.300 nan 0.000 0.472 237 Q N 0.140 120.064 119.800 0.207 0.000 2.782 237 Q HA 0.302 4.643 4.340 0.001 0.000 0.308 237 Q C -1.646 174.450 176.000 0.161 0.000 0.883 237 Q CA -1.313 54.581 55.803 0.152 0.000 0.755 237 Q CB 1.553 30.351 28.738 0.099 0.000 1.454 237 Q HN 0.590 nan 8.270 nan 0.000 0.452 238 Q N 0.830 120.739 119.800 0.182 0.000 2.332 238 Q HA 0.275 4.615 4.340 0.001 0.000 0.263 238 Q C -0.623 175.431 176.000 0.090 0.000 0.979 238 Q CA -0.277 55.638 55.803 0.187 0.000 0.885 238 Q CB 0.549 29.386 28.738 0.164 0.000 1.218 238 Q HN 0.529 nan 8.270 nan 0.000 0.405 239 I N 7.092 127.691 120.570 0.048 0.000 2.826 239 I HA -0.083 4.087 4.170 0.001 0.000 0.295 239 I C -1.993 174.133 176.117 0.015 0.000 1.213 239 I CA -1.071 60.233 61.300 0.007 0.000 1.436 239 I CB 0.134 38.098 38.000 -0.061 0.000 1.348 239 I HN 0.473 nan 8.210 nan 0.000 0.570 240 P HA 0.277 nan 4.420 nan 0.000 0.271 240 P C -1.027 176.264 177.300 -0.015 0.000 1.216 240 P CA 0.002 63.104 63.100 0.003 0.000 0.771 240 P CB 0.550 32.240 31.700 -0.017 0.000 0.864 241 L N 1.721 122.952 121.223 0.013 0.000 2.431 241 L HA 0.614 4.954 4.340 0.001 0.000 0.266 241 L C 0.175 177.058 176.870 0.021 0.000 0.978 241 L CA -1.162 53.687 54.840 0.015 0.000 0.822 241 L CB 2.146 44.296 42.059 0.153 0.000 1.310 241 L HN 0.222 nan 8.230 nan 0.000 0.409 242 A N 2.750 125.548 122.820 -0.037 0.000 2.906 242 A HA 0.745 5.065 4.320 0.001 0.000 0.289 242 A C 0.164 177.820 177.584 0.121 0.000 1.675 242 A CA 0.346 52.410 52.037 0.046 0.000 1.372 242 A CB -0.647 18.300 19.000 -0.087 0.000 1.091 242 A HN 0.819 nan 8.150 nan 0.000 0.579 243 A N 1.328 124.166 122.820 0.030 0.000 2.590 243 A HA 0.690 5.010 4.320 0.001 0.000 0.294 243 A C -0.427 177.034 177.584 -0.205 0.000 1.046 243 A CA -0.510 51.442 52.037 -0.141 0.000 0.684 243 A CB 0.476 19.147 19.000 -0.547 0.000 1.279 243 A HN 0.570 nan 8.150 nan 0.000 0.415 244 T N 1.420 115.836 114.554 -0.230 0.000 2.797 244 T HA 0.579 4.929 4.350 0.001 0.000 0.279 244 T C 0.214 174.747 174.700 -0.277 0.000 0.991 244 T CA -0.460 61.521 62.100 -0.198 0.000 0.979 244 T CB 1.246 70.058 68.868 -0.093 0.000 0.943 244 T HN 0.777 nan 8.240 nan 0.000 0.444 245 R N 1.749 122.080 120.500 -0.281 0.000 2.531 245 R HA 0.408 4.748 4.340 0.001 0.000 0.273 245 R C 0.502 176.715 176.300 -0.145 0.000 1.070 245 R CA -0.439 55.490 56.100 -0.284 0.000 1.112 245 R CB 0.470 30.566 30.300 -0.341 0.000 1.049 245 R HN 0.466 nan 8.270 nan 0.000 0.508 246 R N 0.347 120.804 120.500 -0.072 0.000 2.562 246 R HA 0.159 4.499 4.340 0.001 0.000 0.191 246 R C 0.030 176.318 176.300 -0.020 0.000 0.835 246 R CA 0.625 56.723 56.100 -0.004 0.000 1.036 246 R CB 0.340 30.706 30.300 0.110 0.000 1.437 246 R HN 0.775 nan 8.270 nan 0.000 0.654 247 S N -0.244 115.455 115.700 -0.001 0.000 2.704 247 S HA 0.486 4.957 4.470 0.001 0.000 0.296 247 S C -2.413 172.148 174.600 -0.064 0.000 1.138 247 S CA -1.233 56.950 58.200 -0.028 0.000 0.875 247 S CB 2.544 65.743 63.200 -0.000 0.000 1.151 247 S HN -0.263 nan 8.310 nan 0.000 0.500 248 P HA -0.053 nan 4.420 nan 0.000 0.222 248 P C 1.045 178.304 177.300 -0.069 0.000 1.142 248 P CA 1.723 64.769 63.100 -0.090 0.000 0.788 248 P CB -0.219 31.445 31.700 -0.061 0.000 0.767 249 T N -7.396 107.151 114.554 -0.012 0.000 3.043 249 T HA 0.253 4.603 4.350 0.001 0.000 0.272 249 T C -0.162 174.599 174.700 0.101 0.000 0.990 249 T CA -0.368 61.752 62.100 0.032 0.000 0.897 249 T CB -0.521 68.383 68.868 0.060 0.000 1.111 249 T HN -0.111 nan 8.240 nan 0.000 0.529 250 F N 1.836 121.722 119.950 -0.105 0.000 2.518 250 F HA 0.685 5.212 4.527 0.001 0.000 0.323 250 F C -1.312 174.359 175.800 -0.215 0.000 1.129 250 F CA -0.968 56.963 58.000 -0.114 0.000 0.920 250 F CB 1.964 40.914 39.000 -0.083 0.000 1.160 250 F HN -0.095 nan 8.300 nan 0.000 0.440 251 V N 4.580 124.030 119.914 -0.773 0.000 2.628 251 V HA 0.315 4.436 4.120 0.001 0.000 0.306 251 V C -0.493 174.948 176.094 -1.089 0.000 1.045 251 V CA -0.946 60.836 62.300 -0.864 0.000 0.905 251 V CB 1.826 32.985 31.823 -1.107 0.000 0.997 251 V HN 0.700 nan 8.190 nan 0.000 0.436 252 E N 3.232 123.067 120.200 -0.608 0.000 1.963 252 E HA 0.190 4.541 4.350 0.001 0.000 0.274 252 E C -1.193 175.196 176.600 -0.352 0.000 1.061 252 E CA -0.489 55.723 56.400 -0.313 0.000 0.847 252 E CB 0.453 30.145 29.700 -0.014 0.000 1.083 252 E HN 0.631 nan 8.360 nan 0.000 0.402 253 W N 2.584 123.772 121.300 -0.187 0.000 2.308 253 W HA 0.054 4.715 4.660 0.003 0.000 0.324 253 W C 0.773 177.336 176.519 0.073 0.000 1.387 253 W CA -0.413 56.823 57.345 -0.182 0.000 1.250 253 W CB 0.691 29.813 29.460 -0.563 0.000 1.257 253 W HN 0.299 nan 8.180 nan 0.000 0.554 254 S N 1.958 117.902 115.700 0.408 0.000 2.608 254 S HA 0.581 5.052 4.470 0.001 0.000 0.261 254 S C 0.217 175.258 174.600 0.735 0.000 1.314 254 S CA -0.458 58.035 58.200 0.489 0.000 0.992 254 S CB 1.066 64.563 63.200 0.495 0.000 0.935 254 S HN 0.530 nan 8.310 nan 0.000 0.564 255 S N -0.622 115.437 115.700 0.598 0.000 2.703 255 S HA 0.665 5.135 4.470 0.001 0.000 0.273 255 S C 0.789 175.547 174.600 0.263 0.000 1.178 255 S CA -0.368 58.096 58.200 0.441 0.000 0.838 255 S CB 0.478 63.870 63.200 0.320 0.000 1.178 255 S HN 0.755 nan 8.310 nan 0.000 0.494 256 A N 1.823 124.691 122.820 0.080 0.000 1.915 256 A HA -0.263 4.058 4.320 0.001 0.000 0.220 256 A C 2.009 179.607 177.584 0.023 0.000 1.198 256 A CA 2.463 54.507 52.037 0.011 0.000 0.647 256 A CB -1.598 17.389 19.000 -0.022 0.000 0.825 256 A HN 0.894 nan 8.150 nan 0.000 0.456 257 N N -0.729 117.999 118.700 0.046 0.000 2.223 257 N HA -0.145 4.596 4.740 0.001 0.000 0.185 257 N C 1.537 177.049 175.510 0.003 0.000 1.016 257 N CA 2.032 55.086 53.050 0.007 0.000 0.863 257 N CB -0.305 38.202 38.487 0.033 0.000 0.983 257 N HN 0.497 nan 8.380 nan 0.000 0.429 258 T N 0.848 115.452 114.554 0.083 0.000 2.701 258 T HA -0.061 4.289 4.350 0.001 0.000 0.263 258 T C 2.145 176.847 174.700 0.003 0.000 1.040 258 T CA 1.443 63.596 62.100 0.089 0.000 1.147 258 T CB -0.444 68.556 68.868 0.220 0.000 0.865 258 T HN 0.050 nan 8.240 nan 0.000 0.426 259 V N -0.044 119.838 119.914 -0.053 0.000 2.282 259 V HA -0.014 4.106 4.120 0.001 0.000 0.249 259 V C 0.717 176.735 176.094 -0.127 0.000 1.057 259 V CA 1.271 63.449 62.300 -0.205 0.000 1.032 259 V CB -0.558 31.086 31.823 -0.299 0.000 0.645 259 V HN 0.517 nan 8.190 nan 0.000 0.447 260 F N 0.716 120.516 119.950 -0.249 0.000 2.623 260 F HA 0.406 4.933 4.527 0.000 0.000 0.323 260 F C 0.080 175.750 175.800 -0.216 0.000 1.158 260 F CA -1.443 56.392 58.000 -0.275 0.000 1.030 260 F CB 1.371 40.157 39.000 -0.356 0.000 1.280 260 F HN 0.150 nan 8.300 nan 0.000 0.474 261 D N 4.857 124.724 120.400 -0.888 0.000 2.363 261 D HA 0.015 4.655 4.640 0.001 0.000 0.226 261 D C 1.056 177.034 176.300 -0.537 0.000 1.020 261 D CA 0.899 54.573 54.000 -0.543 0.000 0.892 261 D CB -0.040 40.513 40.800 -0.412 0.000 0.900 261 D HN 0.659 nan 8.370 nan 0.000 0.531 262 L N -1.527 119.177 121.223 -0.865 0.000 4.429 262 L HA -0.248 4.092 4.340 0.001 0.000 0.422 262 L C -0.305 176.473 176.870 -0.154 0.000 1.149 262 L CA 0.403 55.022 54.840 -0.369 0.000 0.972 262 L CB -1.388 40.631 42.059 -0.068 0.000 2.059 262 L HN 0.276 nan 8.230 nan 0.000 0.870 263 Q N 0.748 120.390 119.800 -0.262 0.000 2.332 263 Q HA 0.203 4.543 4.340 0.001 0.000 0.263 263 Q C 0.445 176.486 176.000 0.069 0.000 0.979 263 Q CA -0.106 55.643 55.803 -0.091 0.000 0.885 263 Q CB 0.574 29.235 28.738 -0.128 0.000 1.218 263 Q HN 0.143 nan 8.270 nan 0.000 0.405 264 N N 1.971 120.715 118.700 0.074 0.000 2.407 264 N HA 0.026 4.766 4.740 0.001 0.000 0.250 264 N C -0.371 175.191 175.510 0.087 0.000 1.236 264 N CA 0.555 53.654 53.050 0.081 0.000 0.879 264 N CB 0.520 38.982 38.487 -0.041 0.000 1.088 264 N HN 0.267 nan 8.380 nan 0.000 0.450 265 R N 1.321 121.888 120.500 0.112 0.000 2.725 265 R HA 0.477 4.818 4.340 0.001 0.000 0.277 265 R C -2.600 173.724 176.300 0.041 0.000 0.987 265 R CA -1.632 54.521 56.100 0.089 0.000 0.901 265 R CB 1.849 32.229 30.300 0.133 0.000 1.207 265 R HN 0.367 nan 8.270 nan 0.000 0.463 266 P HA 0.115 nan 4.420 nan 0.000 0.275 266 P C -1.269 176.075 177.300 0.073 0.000 1.228 266 P CA -0.373 62.789 63.100 0.103 0.000 0.786 266 P CB 0.631 32.449 31.700 0.198 0.000 0.927 267 N N -0.971 117.765 118.700 0.060 0.000 2.761 267 N HA 0.289 5.030 4.740 0.001 0.000 0.283 267 N C 0.589 176.119 175.510 0.033 0.000 1.377 267 N CA -0.774 52.297 53.050 0.035 0.000 0.791 267 N CB -0.537 37.956 38.487 0.011 0.000 1.540 267 N HN 0.037 nan 8.380 nan 0.000 0.539 268 T N -0.733 113.832 114.554 0.018 0.000 2.699 268 T HA -0.127 4.224 4.350 0.001 0.000 0.268 268 T C 0.454 175.160 174.700 0.011 0.000 1.036 268 T CA 1.649 63.757 62.100 0.014 0.000 1.147 268 T CB -0.452 68.418 68.868 0.005 0.000 0.862 268 T HN 0.514 nan 8.240 nan 0.000 0.446 269 D N 0.685 121.086 120.400 0.003 0.000 2.317 269 D HA 0.176 4.817 4.640 0.001 0.000 0.211 269 D C 0.757 177.063 176.300 0.009 0.000 0.966 269 D CA 0.376 54.374 54.000 -0.002 0.000 0.876 269 D CB 0.163 40.952 40.800 -0.019 0.000 0.927 269 D HN 0.382 nan 8.370 nan 0.000 0.519 270 A N 0.795 123.630 122.820 0.024 0.000 3.410 270 A HA 0.344 4.664 4.320 0.001 0.000 0.276 270 A C -2.135 175.498 177.584 0.081 0.000 0.995 270 A CA -0.772 51.292 52.037 0.046 0.000 0.934 270 A CB 0.820 19.843 19.000 0.038 0.000 1.191 270 A HN -0.152 nan 8.150 nan 0.000 0.511 271 P HA 0.009 nan 4.420 nan 0.000 0.241 271 P C 0.730 178.166 177.300 0.227 0.000 1.191 271 P CA 0.919 64.091 63.100 0.120 0.000 0.771 271 P CB 0.522 32.262 31.700 0.067 0.000 0.929 272 E N -0.198 120.131 120.200 0.216 0.000 2.389 272 E HA 0.078 4.429 4.350 0.001 0.000 0.199 272 E C 0.402 177.193 176.600 0.319 0.000 0.978 272 E CA 0.307 56.902 56.400 0.325 0.000 0.912 272 E CB 0.327 30.127 29.700 0.166 0.000 0.907 272 E HN 0.497 nan 8.360 nan 0.000 0.494 273 E N 1.295 121.597 120.200 0.171 0.000 2.349 273 E HA 0.368 4.718 4.350 0.001 0.000 0.262 273 E C -0.103 176.505 176.600 0.013 0.000 1.088 273 E CA -0.147 56.307 56.400 0.090 0.000 0.899 273 E CB 1.088 30.849 29.700 0.102 0.000 1.044 273 E HN -0.156 nan 8.360 nan 0.000 0.420 274 R N 1.811 122.294 120.500 -0.028 0.000 2.483 274 R HA 0.440 4.781 4.340 0.001 0.000 0.303 274 R C -1.517 174.835 176.300 0.085 0.000 0.987 274 R CA -0.548 55.505 56.100 -0.079 0.000 0.881 274 R CB 1.008 31.149 30.300 -0.265 0.000 1.177 274 R HN 0.457 nan 8.270 nan 0.000 0.451 275 F N 2.258 122.176 119.950 -0.055 0.000 2.615 275 F HA 0.437 4.964 4.527 0.000 0.000 0.312 275 F C -1.777 173.942 175.800 -0.135 0.000 1.119 275 F CA -0.580 57.379 58.000 -0.069 0.000 0.979 275 F CB 2.008 41.029 39.000 0.034 0.000 1.266 275 F HN 0.412 nan 8.300 nan 0.000 0.444 276 N N 4.596 122.548 118.700 -1.247 0.000 2.249 276 N HA 0.636 5.376 4.740 0.001 0.000 0.296 276 N C -2.125 172.381 175.510 -1.673 0.000 1.051 276 N CA -0.689 51.627 53.050 -1.223 0.000 0.815 276 N CB 2.447 40.418 38.487 -0.860 0.000 1.487 276 N HN 0.601 nan 8.380 nan 0.000 0.475 277 L N 2.252 122.768 121.223 -1.178 0.000 2.313 277 L HA 0.675 5.016 4.340 0.001 0.000 0.283 277 L C -1.805 174.614 176.870 -0.753 0.000 1.013 277 L CA -0.363 54.029 54.840 -0.746 0.000 0.816 277 L CB 0.358 42.339 42.059 -0.130 0.000 1.236 277 L HN 0.467 nan 8.230 nan 0.000 0.419 278 F N 6.636 126.416 119.950 -0.283 0.000 2.532 278 F HA 0.580 5.107 4.527 0.000 0.000 0.365 278 F C -2.206 173.607 175.800 0.022 0.000 1.112 278 F CA -1.911 56.027 58.000 -0.104 0.000 1.082 278 F CB 0.905 39.885 39.000 -0.034 0.000 1.319 278 F HN 0.416 nan 8.300 nan 0.000 0.457 279 P HA 0.398 nan 4.420 nan 0.000 0.293 279 P C 0.006 177.388 177.300 0.137 0.000 1.304 279 P CA -0.270 62.903 63.100 0.123 0.000 0.767 279 P CB 0.912 32.653 31.700 0.069 0.000 1.247 280 A N -2.378 120.497 122.820 0.092 0.000 2.832 280 A HA -0.093 4.228 4.320 0.001 0.000 0.280 280 A C -0.037 177.588 177.584 0.068 0.000 1.464 280 A CA 0.907 52.989 52.037 0.075 0.000 0.804 280 A CB -2.514 16.527 19.000 0.069 0.000 1.020 280 A HN 0.241 nan 8.150 nan 0.000 0.563 281 V N -0.538 119.429 119.914 0.088 0.000 2.409 281 V HA 0.672 4.792 4.120 0.001 0.000 0.290 281 V C 0.534 176.637 176.094 0.016 0.000 1.017 281 V CA -0.310 62.030 62.300 0.066 0.000 0.841 281 V CB 1.479 33.389 31.823 0.145 0.000 1.003 281 V HN 1.419 nan 8.190 nan 0.000 0.426 282 A N 4.224 127.049 122.820 0.008 0.000 2.343 282 A HA 0.458 4.779 4.320 0.001 0.000 0.305 282 A C 0.266 177.842 177.584 -0.014 0.000 1.308 282 A CA -0.239 51.785 52.037 -0.022 0.000 0.949 282 A CB -0.260 18.768 19.000 0.047 0.000 1.148 282 A HN 0.886 nan 8.150 nan 0.000 0.545 283 C N 2.550 121.815 119.300 -0.058 0.000 2.637 283 C HA 0.288 4.748 4.460 0.001 0.000 0.418 283 C C 1.391 176.352 174.990 -0.049 0.000 1.319 283 C CA -0.133 58.843 59.018 -0.070 0.000 1.949 283 C CB -0.442 27.258 27.740 -0.066 0.000 2.639 283 C HN 0.997 nan 8.230 nan 0.000 0.594 284 E N 0.339 120.517 120.200 -0.036 0.000 2.406 284 E HA 0.139 4.490 4.350 0.001 0.000 0.204 284 E C 0.491 177.051 176.600 -0.066 0.000 0.820 284 E CA 0.075 56.451 56.400 -0.040 0.000 1.136 284 E CB 0.572 30.260 29.700 -0.020 0.000 1.129 284 E HN 0.601 nan 8.360 nan 0.000 0.530 285 R N 1.129 121.590 120.500 -0.065 0.000 2.548 285 R HA 0.269 4.610 4.340 0.001 0.000 0.280 285 R C -1.479 174.749 176.300 -0.119 0.000 1.061 285 R CA -0.492 55.532 56.100 -0.126 0.000 0.915 285 R CB 1.886 32.038 30.300 -0.246 0.000 1.210 285 R HN -0.070 nan 8.270 nan 0.000 0.442 286 V N 1.702 121.544 119.914 -0.120 0.000 2.439 286 V HA 0.553 4.673 4.120 0.001 0.000 0.282 286 V C -0.050 175.946 176.094 -0.163 0.000 1.039 286 V CA -0.845 61.362 62.300 -0.155 0.000 0.913 286 V CB 1.529 33.255 31.823 -0.162 0.000 0.983 286 V HN 0.395 nan 8.190 nan 0.000 0.460 287 V N 5.786 125.594 119.914 -0.176 0.000 2.432 287 V HA 0.408 4.529 4.120 0.001 0.000 0.275 287 V C 0.677 176.719 176.094 -0.087 0.000 1.043 287 V CA -0.378 61.836 62.300 -0.143 0.000 0.925 287 V CB 0.919 32.702 31.823 -0.067 0.000 0.985 287 V HN 0.908 nan 8.190 nan 0.000 0.466 288 R N 3.852 124.313 120.500 -0.064 0.000 2.410 288 R HA 0.299 4.639 4.340 0.001 0.000 0.288 288 R C 0.281 176.603 176.300 0.037 0.000 1.051 288 R CA -0.626 55.500 56.100 0.044 0.000 1.021 288 R CB 0.759 31.055 30.300 -0.007 0.000 1.032 288 R HN 0.881 nan 8.270 nan 0.000 0.481 289 N N 1.742 120.484 118.700 0.070 0.000 2.297 289 N HA -0.048 4.692 4.740 0.001 0.000 0.232 289 N C 0.606 176.103 175.510 -0.023 0.000 1.311 289 N CA 0.314 53.370 53.050 0.010 0.000 0.897 289 N CB 0.414 38.901 38.487 0.000 0.000 1.137 289 N HN 0.566 nan 8.380 nan 0.000 0.449 290 A N 0.492 123.293 122.820 -0.031 0.000 1.902 290 A HA -0.054 4.266 4.320 0.001 0.000 0.217 290 A C 2.254 179.800 177.584 -0.063 0.000 1.181 290 A CA 0.959 52.971 52.037 -0.041 0.000 0.623 290 A CB -0.868 18.114 19.000 -0.030 0.000 0.818 290 A HN 0.660 nan 8.150 nan 0.000 0.443 291 L N -0.766 120.409 121.223 -0.079 0.000 2.456 291 L HA -0.125 4.215 4.340 0.001 0.000 0.224 291 L C 0.113 176.867 176.870 -0.194 0.000 1.148 291 L CA 0.371 55.145 54.840 -0.110 0.000 0.825 291 L CB -0.588 41.409 42.059 -0.102 0.000 0.937 291 L HN 0.458 nan 8.230 nan 0.000 0.450 292 N N 0.039 118.589 118.700 -0.249 0.000 2.727 292 N HA -0.179 4.562 4.740 0.001 0.000 0.249 292 N C 0.950 175.818 175.510 -1.069 0.000 1.048 292 N CA 1.040 53.782 53.050 -0.513 0.000 0.714 292 N CB -1.090 37.269 38.487 -0.214 0.000 0.959 292 N HN 0.538 nan 8.380 nan 0.000 0.544 293 S N -1.931 113.300 115.700 -0.783 0.000 2.578 293 S HA 0.271 4.742 4.470 0.001 0.000 0.228 293 S C 0.291 174.667 174.600 -0.374 0.000 1.022 293 S CA -0.143 57.708 58.200 -0.582 0.000 0.967 293 S CB 1.488 64.549 63.200 -0.232 0.000 0.914 293 S HN 0.395 nan 8.310 nan 0.000 0.515 294 E N 0.179 120.240 120.200 -0.231 0.000 2.375 294 E HA 0.425 4.775 4.350 0.001 0.000 0.280 294 E C -1.803 175.024 176.600 0.378 0.000 0.972 294 E CA -0.817 55.701 56.400 0.196 0.000 0.782 294 E CB 1.264 31.031 29.700 0.112 0.000 1.229 294 E HN 0.093 nan 8.360 nan 0.000 0.439 295 I N 3.451 124.193 120.570 0.286 0.000 2.396 295 I HA 0.161 4.332 4.170 0.001 0.000 0.292 295 I C 0.827 176.899 176.117 -0.075 0.000 0.999 295 I CA -0.033 61.240 61.300 -0.045 0.000 1.310 295 I CB 1.311 39.020 38.000 -0.485 0.000 1.404 295 I HN 0.659 nan 8.210 nan 0.000 0.496 296 E N 2.935 123.092 120.200 -0.073 0.000 2.431 296 E HA 0.103 4.454 4.350 0.001 0.000 0.200 296 E C 0.339 176.991 176.600 0.087 0.000 0.995 296 E CA 0.228 56.661 56.400 0.054 0.000 0.915 296 E CB 0.536 30.275 29.700 0.066 0.000 0.930 296 E HN 0.672 nan 8.360 nan 0.000 0.496 297 S N -0.500 115.167 115.700 -0.056 0.000 2.627 297 S HA 0.450 4.920 4.470 0.001 0.000 0.268 297 S C -1.858 172.753 174.600 0.019 0.000 1.130 297 S CA -1.005 57.254 58.200 0.098 0.000 0.819 297 S CB 0.867 64.164 63.200 0.161 0.000 1.100 297 S HN -0.010 nan 8.310 nan 0.000 0.465 298 L N 2.640 123.968 121.223 0.176 0.000 2.319 298 L HA 0.534 4.874 4.340 0.001 0.000 0.281 298 L C -0.513 176.427 176.870 0.116 0.000 1.005 298 L CA -0.168 54.741 54.840 0.115 0.000 0.828 298 L CB 0.932 43.071 42.059 0.133 0.000 1.227 298 L HN 0.876 nan 8.230 nan 0.000 0.415 299 H N 6.290 125.319 119.070 -0.069 0.000 2.646 299 H HA 0.443 5.000 4.556 0.001 0.000 0.325 299 H C -0.226 175.043 175.328 -0.097 0.000 1.075 299 H CA -0.219 55.788 56.048 -0.069 0.000 1.421 299 H CB 1.090 30.812 29.762 -0.067 0.000 1.461 299 H HN 0.603 nan 8.280 nan 0.000 0.525 300 I N 0.114 120.671 120.570 -0.022 0.000 2.934 300 I HA 0.366 4.536 4.170 0.001 0.000 0.306 300 I C -0.908 175.244 176.117 0.057 0.000 1.110 300 I CA -0.940 60.319 61.300 -0.069 0.000 1.019 300 I CB 3.196 41.014 38.000 -0.303 0.000 1.227 300 I HN 0.595 nan 8.210 nan 0.000 0.434 301 H N 3.291 122.334 119.070 -0.045 0.000 2.860 301 H HA 0.206 4.762 4.556 0.000 0.000 0.312 301 H C -1.311 174.041 175.328 0.040 0.000 0.995 301 H CA -0.542 55.501 56.048 -0.008 0.000 1.311 301 H CB 1.536 31.300 29.762 0.004 0.000 1.478 301 H HN 0.748 nan 8.280 nan 0.000 0.508 302 D N 6.270 126.653 120.400 -0.029 0.000 2.359 302 D HA -0.009 4.632 4.640 0.001 0.000 0.250 302 D C 1.280 177.426 176.300 -0.257 0.000 1.264 302 D CA -0.133 53.842 54.000 -0.041 0.000 0.911 302 D CB 0.739 41.628 40.800 0.149 0.000 1.056 302 D HN 0.695 nan 8.370 nan 0.000 0.499 303 L N 4.058 125.137 121.223 -0.240 0.000 2.265 303 L HA -0.173 4.167 4.340 0.001 0.000 0.215 303 L C 2.086 178.891 176.870 -0.107 0.000 1.117 303 L CA 0.322 55.019 54.840 -0.238 0.000 0.782 303 L CB -0.153 41.880 42.059 -0.045 0.000 0.914 303 L HN 0.537 nan 8.230 nan 0.000 0.441 304 I N -0.312 120.232 120.570 -0.042 0.000 2.206 304 I HA -0.187 3.984 4.170 0.001 0.000 0.239 304 I C 2.826 178.942 176.117 -0.002 0.000 1.078 304 I CA 1.832 63.130 61.300 -0.003 0.000 1.367 304 I CB -1.182 36.834 38.000 0.025 0.000 1.078 304 I HN 0.321 nan 8.210 nan 0.000 0.413 305 S N 0.378 116.086 115.700 0.013 0.000 2.387 305 S HA 0.009 4.479 4.470 0.001 0.000 0.226 305 S C 1.907 176.516 174.600 0.015 0.000 1.026 305 S CA 1.310 59.533 58.200 0.038 0.000 0.972 305 S CB -0.204 63.057 63.200 0.101 0.000 0.814 305 S HN 0.612 nan 8.310 nan 0.000 0.477 306 G N 1.086 109.862 108.800 -0.040 0.000 2.258 306 G HA2 -0.193 3.767 3.960 0.001 0.000 0.233 306 G HA3 -0.193 3.767 3.960 0.001 0.000 0.233 306 G C -0.275 174.665 174.900 0.067 0.000 1.006 306 G CA 0.147 45.235 45.100 -0.020 0.000 0.620 306 G HN 0.574 nan 8.290 nan 0.000 0.511 307 D N 0.857 121.265 120.400 0.012 0.000 2.357 307 D HA 0.532 5.172 4.640 0.001 0.000 0.242 307 D C 1.005 177.163 176.300 -0.238 0.000 1.153 307 D CA 0.105 54.029 54.000 -0.128 0.000 0.918 307 D CB 0.697 41.362 40.800 -0.224 0.000 1.181 307 D HN 0.418 nan 8.370 nan 0.000 0.435 308 R N -0.023 120.190 120.500 -0.478 0.000 2.674 308 R HA 0.666 5.007 4.340 0.001 0.000 0.266 308 R C -0.761 174.890 176.300 -1.082 0.000 1.016 308 R CA -0.626 55.205 56.100 -0.450 0.000 1.062 308 R CB 1.031 31.202 30.300 -0.215 0.000 1.142 308 R HN 0.275 nan 8.270 nan 0.000 0.517 309 F N -0.555 119.330 119.950 -0.107 0.000 2.654 309 F HA 0.246 4.774 4.527 0.000 0.000 0.308 309 F C -0.488 175.159 175.800 -0.256 0.000 1.108 309 F CA -0.894 57.008 58.000 -0.164 0.000 0.957 309 F CB 1.968 40.877 39.000 -0.151 0.000 1.309 309 F HN 0.343 nan 8.300 nan 0.000 0.446 310 E N 1.963 122.128 120.200 -0.060 0.000 2.133 310 E HA 0.599 4.949 4.350 0.001 0.000 0.274 310 E C -1.471 175.121 176.600 -0.013 0.000 0.930 310 E CA -0.329 55.963 56.400 -0.180 0.000 0.770 310 E CB 0.797 30.362 29.700 -0.224 0.000 1.104 310 E HN 0.371 nan 8.360 nan 0.000 0.403 311 I N 4.102 124.689 120.570 0.028 0.000 2.406 311 I HA 0.317 4.487 4.170 0.001 0.000 0.290 311 I C -0.215 176.027 176.117 0.207 0.000 0.999 311 I CA -0.921 60.447 61.300 0.114 0.000 1.124 311 I CB 1.279 39.349 38.000 0.117 0.000 1.289 311 I HN 0.471 nan 8.210 nan 0.000 0.441 312 K N 5.097 125.610 120.400 0.189 0.000 2.138 312 K HA 0.845 5.165 4.320 0.001 0.000 0.263 312 K C -0.992 175.704 176.600 0.160 0.000 0.965 312 K CA -0.267 56.147 56.287 0.213 0.000 0.868 312 K CB 1.684 34.267 32.500 0.139 0.000 1.083 312 K HN 0.780 nan 8.250 nan 0.000 0.443 313 A N 2.737 125.604 122.820 0.079 0.000 2.609 313 A HA 0.388 4.708 4.320 0.001 0.000 0.291 313 A C -0.596 176.855 177.584 -0.222 0.000 1.096 313 A CA -0.676 51.244 52.037 -0.194 0.000 0.684 313 A CB 1.033 19.718 19.000 -0.526 0.000 1.282 313 A HN 0.755 nan 8.150 nan 0.000 0.412 314 D N -0.485 119.799 120.400 -0.193 0.000 2.144 314 D HA 0.116 4.756 4.640 0.001 0.000 0.207 314 D C 0.423 176.526 176.300 -0.328 0.000 0.970 314 D CA 1.726 55.651 54.000 -0.126 0.000 0.853 314 D CB 0.102 40.887 40.800 -0.025 0.000 1.007 314 D HN 0.244 nan 8.370 nan 0.000 0.469 315 V N 1.057 120.679 119.914 -0.487 0.000 2.448 315 V HA 0.252 4.372 4.120 0.001 0.000 0.295 315 V C -1.088 174.732 176.094 -0.456 0.000 1.025 315 V CA -0.776 61.251 62.300 -0.455 0.000 0.859 315 V CB 1.364 32.877 31.823 -0.518 0.000 0.988 315 V HN -0.001 nan 8.190 nan 0.000 0.431 316 Y N 3.118 123.388 120.300 -0.049 0.000 2.342 316 Y HA 0.611 5.162 4.550 0.000 0.000 0.338 316 Y C 0.009 175.865 175.900 -0.073 0.000 0.965 316 Y CA -0.770 57.294 58.100 -0.060 0.000 1.159 316 Y CB 1.950 40.374 38.460 -0.060 0.000 1.157 316 Y HN 0.356 nan 8.280 nan 0.000 0.486 317 V N 5.870 125.750 119.914 -0.056 0.000 2.378 317 V HA 0.315 4.435 4.120 0.001 0.000 0.288 317 V C -0.354 175.604 176.094 -0.227 0.000 1.016 317 V CA -0.863 61.288 62.300 -0.249 0.000 0.840 317 V CB 1.317 32.761 31.823 -0.632 0.000 0.994 317 V HN 0.604 nan 8.190 nan 0.000 0.431 318 L N 5.546 126.641 121.223 -0.214 0.000 2.268 318 L HA 0.450 4.791 4.340 0.001 0.000 0.289 318 L C 0.564 177.330 176.870 -0.172 0.000 1.064 318 L CA -0.100 54.631 54.840 -0.181 0.000 0.824 318 L CB 1.140 43.070 42.059 -0.216 0.000 1.202 318 L HN 0.776 nan 8.230 nan 0.000 0.433 319 T N -1.560 112.928 114.554 -0.111 0.000 3.516 319 T HA 0.404 4.755 4.350 0.001 0.000 0.245 319 T C 0.687 175.396 174.700 0.016 0.000 1.077 319 T CA -0.155 61.926 62.100 -0.032 0.000 1.222 319 T CB 0.978 69.834 68.868 -0.021 0.000 1.045 319 T HN 0.551 nan 8.240 nan 0.000 0.585 320 A N 0.697 123.535 122.820 0.030 0.000 2.348 320 A HA 0.801 5.121 4.320 0.001 0.000 0.224 320 A C 1.258 178.920 177.584 0.130 0.000 1.227 320 A CA -0.014 52.057 52.037 0.056 0.000 0.885 320 A CB -0.409 18.614 19.000 0.038 0.000 0.933 320 A HN 1.649 nan 8.150 nan 0.000 0.506 321 G N -2.386 106.505 108.800 0.152 0.000 2.674 321 G HA2 0.345 4.305 3.960 0.001 0.000 0.686 321 G HA3 0.345 4.305 3.960 0.001 0.000 0.686 321 G C 0.738 175.769 174.900 0.218 0.000 1.195 321 G CA -0.136 45.073 45.100 0.181 0.000 0.776 321 G HN 1.354 nan 8.290 nan 0.000 0.654 322 A N 0.459 123.393 122.820 0.190 0.000 1.923 322 A HA -0.105 4.215 4.320 0.001 0.000 0.222 322 A C 2.714 180.403 177.584 0.174 0.000 1.258 322 A CA 4.076 56.206 52.037 0.156 0.000 0.670 322 A CB -0.783 18.289 19.000 0.121 0.000 0.834 322 A HN 1.808 nan 8.150 nan 0.000 0.470 323 V N -1.402 118.582 119.914 0.117 0.000 2.283 323 V HA -0.220 3.901 4.120 0.001 0.000 0.243 323 V C 2.263 178.348 176.094 -0.016 0.000 1.039 323 V CA 2.399 64.709 62.300 0.016 0.000 1.016 323 V CB -1.156 30.562 31.823 -0.175 0.000 0.650 323 V HN 0.758 nan 8.190 nan 0.000 0.449 324 H N -0.374 118.778 119.070 0.137 0.000 2.482 324 H HA 0.041 4.597 4.556 0.000 0.000 0.286 324 H C 2.291 177.620 175.328 0.002 0.000 1.017 324 H CA 0.873 56.951 56.048 0.050 0.000 1.322 324 H CB -0.048 29.723 29.762 0.014 0.000 1.426 324 H HN 0.292 nan 8.280 nan 0.000 0.546 325 N N -0.075 118.710 118.700 0.142 0.000 2.094 325 N HA -0.131 4.609 4.740 0.001 0.000 0.191 325 N C 1.662 177.169 175.510 -0.004 0.000 1.023 325 N CA 1.872 54.932 53.050 0.018 0.000 0.857 325 N CB -0.443 38.050 38.487 0.009 0.000 1.013 325 N HN 0.327 nan 8.380 nan 0.000 0.426 326 T N 0.401 115.041 114.554 0.144 0.000 2.821 326 T HA -0.138 4.212 4.350 0.001 0.000 0.267 326 T C 1.802 176.457 174.700 -0.075 0.000 1.046 326 T CA 0.961 63.158 62.100 0.162 0.000 1.139 326 T CB -0.122 68.964 68.868 0.362 0.000 0.871 326 T HN 0.372 nan 8.240 nan 0.000 0.454 327 Q N 0.232 119.870 119.800 -0.269 0.000 2.119 327 Q HA 0.002 4.342 4.340 0.001 0.000 0.201 327 Q C 2.267 177.970 176.000 -0.495 0.000 0.972 327 Q CA 0.903 56.160 55.803 -0.910 0.000 0.847 327 Q CB -0.184 28.200 28.738 -0.591 0.000 0.903 327 Q HN 0.478 nan 8.270 nan 0.000 0.433 328 L N 0.165 121.245 121.223 -0.238 0.000 2.044 328 L HA -0.129 4.212 4.340 0.001 0.000 0.205 328 L C 2.167 178.950 176.870 -0.145 0.000 1.075 328 L CA 0.839 55.581 54.840 -0.164 0.000 0.747 328 L CB -0.098 41.891 42.059 -0.117 0.000 0.903 328 L HN 0.267 nan 8.230 nan 0.000 0.435 329 L N -1.521 119.600 121.223 -0.169 0.000 2.079 329 L HA -0.224 4.116 4.340 0.001 0.000 0.210 329 L C 2.407 179.334 176.870 0.096 0.000 1.081 329 L CA 0.805 55.574 54.840 -0.118 0.000 0.752 329 L CB -0.716 41.100 42.059 -0.405 0.000 0.896 329 L HN 0.096 nan 8.230 nan 0.000 0.433 330 V N 0.007 119.895 119.914 -0.043 0.000 2.453 330 V HA -0.201 3.919 4.120 0.001 0.000 0.247 330 V C 2.110 178.187 176.094 -0.028 0.000 1.048 330 V CA 1.699 64.006 62.300 0.011 0.000 1.049 330 V CB -0.495 31.338 31.823 0.018 0.000 0.672 330 V HN 0.499 nan 8.190 nan 0.000 0.457 331 N N -0.133 118.496 118.700 -0.119 0.000 2.573 331 N HA -0.097 4.643 4.740 0.001 0.000 0.187 331 N C 1.369 176.840 175.510 -0.065 0.000 1.107 331 N CA 1.127 54.120 53.050 -0.095 0.000 0.918 331 N CB 0.013 38.421 38.487 -0.131 0.000 0.966 331 N HN 0.340 nan 8.380 nan 0.000 0.448 332 S N -1.665 114.026 115.700 -0.015 0.000 2.593 332 S HA 0.353 4.823 4.470 0.001 0.000 0.236 332 S C 0.933 175.486 174.600 -0.079 0.000 0.991 332 S CA 0.110 58.300 58.200 -0.017 0.000 0.963 332 S CB 0.655 63.911 63.200 0.095 0.000 0.865 332 S HN 0.526 nan 8.310 nan 0.000 0.488 333 G N 1.220 109.989 108.800 -0.053 0.000 2.176 333 G HA2 -0.245 3.715 3.960 0.001 0.000 0.253 333 G HA3 -0.245 3.715 3.960 0.001 0.000 0.253 333 G C -0.035 174.760 174.900 -0.175 0.000 0.979 333 G CA -0.290 44.732 45.100 -0.130 0.000 0.641 333 G HN 0.429 nan 8.290 nan 0.000 0.530 334 F N 0.702 120.627 119.950 -0.042 0.000 2.370 334 F HA 0.570 5.097 4.527 0.001 0.000 0.319 334 F C 1.644 177.460 175.800 0.026 0.000 1.129 334 F CA 0.798 58.791 58.000 -0.011 0.000 1.109 334 F CB 0.556 39.526 39.000 -0.050 0.000 1.262 334 F HN 0.799 nan 8.300 nan 0.000 0.534 335 G N 1.204 110.167 108.800 0.270 0.000 2.574 335 G HA2 -0.290 3.671 3.960 0.001 0.000 0.282 335 G HA3 -0.290 3.671 3.960 0.001 0.000 0.282 335 G C -0.739 174.250 174.900 0.147 0.000 1.257 335 G CA -0.061 45.160 45.100 0.202 0.000 0.956 335 G HN 0.815 nan 8.290 nan 0.000 0.560 336 Q N -0.857 119.035 119.800 0.153 0.000 2.290 336 Q HA 0.582 4.922 4.340 0.001 0.000 0.269 336 Q C -0.789 175.306 176.000 0.159 0.000 1.016 336 Q CA -0.954 54.919 55.803 0.117 0.000 0.754 336 Q CB 1.545 30.329 28.738 0.077 0.000 1.247 336 Q HN 0.756 nan 8.270 nan 0.000 0.451 337 L N 3.883 125.187 121.223 0.135 0.000 2.416 337 L HA 0.657 4.997 4.340 0.001 0.000 0.272 337 L C 0.288 177.254 176.870 0.161 0.000 1.161 337 L CA 1.786 56.730 54.840 0.174 0.000 0.845 337 L CB 0.754 42.883 42.059 0.117 0.000 1.119 337 L HN 0.812 nan 8.230 nan 0.000 0.464 338 G N 3.738 112.693 108.800 0.258 0.000 2.462 338 G HA2 -0.138 3.823 3.960 0.001 0.000 0.685 338 G HA3 -0.138 3.823 3.960 0.001 0.000 0.685 338 G C -0.794 174.090 174.900 -0.026 0.000 1.295 338 G CA -0.496 44.722 45.100 0.197 0.000 0.941 338 G HN 0.859 nan 8.290 nan 0.000 0.554 339 R N 1.274 121.543 120.500 -0.385 0.000 2.502 339 R HA 0.332 4.673 4.340 0.001 0.000 0.292 339 R C -1.567 174.333 176.300 -0.667 0.000 0.998 339 R CA -0.340 55.079 56.100 -1.134 0.000 1.056 339 R CB 0.211 30.098 30.300 -0.687 0.000 0.939 339 R HN 0.446 nan 8.270 nan 0.000 0.411 340 P HA 0.067 nan 4.420 nan 0.000 0.271 340 P C -1.323 175.822 177.300 -0.257 0.000 1.216 340 P CA -0.182 62.691 63.100 -0.378 0.000 0.776 340 P CB 0.779 32.271 31.700 -0.347 0.000 0.881 341 N N 3.284 121.893 118.700 -0.152 0.000 2.581 341 N HA 0.233 4.974 4.740 0.001 0.000 0.279 341 N C -1.956 173.513 175.510 -0.068 0.000 1.124 341 N CA -2.205 50.779 53.050 -0.109 0.000 0.833 341 N CB 1.179 39.611 38.487 -0.091 0.000 1.338 341 N HN 0.058 nan 8.380 nan 0.000 0.533 342 P HA -0.035 nan 4.420 nan 0.000 0.217 342 P C 0.788 178.072 177.300 -0.027 0.000 1.151 342 P CA 0.701 63.777 63.100 -0.039 0.000 0.828 342 P CB 0.144 31.819 31.700 -0.041 0.000 0.788 343 A N -0.377 122.424 122.820 -0.031 0.000 2.259 343 A HA -0.117 4.203 4.320 0.001 0.000 0.212 343 A C 1.151 178.724 177.584 -0.019 0.000 1.178 343 A CA 0.686 52.709 52.037 -0.022 0.000 0.734 343 A CB -1.496 17.489 19.000 -0.024 0.000 0.774 343 A HN 0.395 nan 8.150 nan 0.000 0.481 344 N N -0.225 118.463 118.700 -0.020 0.000 2.700 344 N HA 0.170 4.910 4.740 0.001 0.000 0.242 344 N C -3.367 172.139 175.510 -0.007 0.000 1.541 344 N CA -1.024 52.018 53.050 -0.013 0.000 0.764 344 N CB 1.306 39.783 38.487 -0.017 0.000 1.319 344 N HN 0.000 nan 8.380 nan 0.000 0.518 345 P HA 0.364 nan 4.420 nan 0.000 0.284 345 P C -2.640 174.675 177.300 0.024 0.000 1.253 345 P CA -1.028 62.080 63.100 0.012 0.000 0.800 345 P CB 0.796 32.506 31.700 0.016 0.000 0.961 346 P HA 0.187 nan 4.420 nan 0.000 0.272 346 P C 0.366 177.696 177.300 0.051 0.000 1.230 346 P CA 0.072 63.200 63.100 0.047 0.000 0.788 346 P CB 1.158 32.901 31.700 0.071 0.000 0.949 347 E N -0.467 119.761 120.200 0.045 0.000 2.340 347 E HA 0.127 4.478 4.350 0.001 0.000 0.198 347 E C -0.020 176.623 176.600 0.072 0.000 0.961 347 E CA 0.111 56.539 56.400 0.046 0.000 0.905 347 E CB -0.021 29.695 29.700 0.026 0.000 0.884 347 E HN 0.172 nan 8.360 nan 0.000 0.491 348 L N 1.337 122.611 121.223 0.084 0.000 2.281 348 L HA 0.246 4.587 4.340 0.001 0.000 0.285 348 L C -0.158 176.839 176.870 0.210 0.000 1.074 348 L CA 0.165 55.092 54.840 0.145 0.000 0.817 348 L CB 0.603 42.713 42.059 0.085 0.000 1.168 348 L HN 0.193 nan 8.230 nan 0.000 0.434 349 L N 6.406 127.777 121.223 0.248 0.000 3.762 349 L HA -0.224 4.117 4.340 0.001 0.000 0.460 349 L C -1.200 175.786 176.870 0.195 0.000 1.255 349 L CA -0.410 54.577 54.840 0.245 0.000 0.783 349 L CB -0.829 41.407 42.059 0.295 0.000 1.600 349 L HN 0.589 nan 8.230 nan 0.000 0.862 350 P HA -0.167 nan 4.420 nan 0.000 0.216 350 P C 1.391 178.793 177.300 0.170 0.000 1.150 350 P CA 1.501 64.684 63.100 0.138 0.000 0.843 350 P CB 0.177 31.941 31.700 0.107 0.000 0.787 351 S N -0.372 115.442 115.700 0.190 0.000 2.515 351 S HA -0.029 4.442 4.470 0.001 0.000 0.231 351 S C 1.031 175.793 174.600 0.269 0.000 0.987 351 S CA -0.175 58.181 58.200 0.261 0.000 0.936 351 S CB -0.935 62.380 63.200 0.193 0.000 0.766 351 S HN 0.084 nan 8.310 nan 0.000 0.528 352 L N 2.015 123.373 121.223 0.225 0.000 2.525 352 L HA 0.402 4.742 4.340 0.001 0.000 0.278 352 L C 1.198 178.211 176.870 0.238 0.000 1.218 352 L CA 1.203 56.178 54.840 0.225 0.000 0.878 352 L CB -0.250 41.927 42.059 0.196 0.000 1.127 352 L HN 0.327 nan 8.230 nan 0.000 0.492 353 G N 2.309 111.258 108.800 0.249 0.000 2.168 353 G HA2 -0.277 3.683 3.960 0.001 0.000 0.263 353 G HA3 -0.277 3.683 3.960 0.001 0.000 0.263 353 G C 0.365 175.397 174.900 0.219 0.000 0.977 353 G CA 0.453 45.699 45.100 0.243 0.000 0.659 353 G HN 0.879 nan 8.290 nan 0.000 0.533 354 S N -1.719 114.127 115.700 0.244 0.000 2.766 354 S HA 0.648 5.119 4.470 0.001 0.000 0.307 354 S C 0.391 175.166 174.600 0.293 0.000 1.121 354 S CA -0.075 58.233 58.200 0.181 0.000 0.980 354 S CB 0.773 64.042 63.200 0.116 0.000 1.159 354 S HN 0.880 nan 8.310 nan 0.000 0.546 355 Y N -0.358 120.003 120.300 0.103 0.000 3.721 355 Y HA -0.200 4.350 4.550 0.001 0.000 0.218 355 Y C 0.545 176.527 175.900 0.137 0.000 1.188 355 Y CA 0.231 58.391 58.100 0.100 0.000 1.607 355 Y CB -1.863 36.654 38.460 0.094 0.000 1.496 355 Y HN 0.553 nan 8.280 nan 0.000 0.626 356 I N 0.107 120.831 120.570 0.256 0.000 2.496 356 I HA 0.399 4.569 4.170 0.001 0.000 0.285 356 I C 0.637 176.949 176.117 0.325 0.000 1.080 356 I CA 0.228 61.691 61.300 0.273 0.000 1.404 356 I CB 1.249 39.414 38.000 0.276 0.000 1.403 356 I HN 0.215 nan 8.210 nan 0.000 0.539 357 T N 2.263 116.970 114.554 0.256 0.000 2.823 357 T HA 0.626 4.976 4.350 0.001 0.000 0.279 357 T C -0.524 174.228 174.700 0.086 0.000 0.998 357 T CA -0.657 61.585 62.100 0.237 0.000 0.994 357 T CB 2.054 70.993 68.868 0.119 0.000 0.960 357 T HN 0.812 nan 8.240 nan 0.000 0.448 358 E N 1.595 121.800 120.200 0.008 0.000 2.317 358 E HA 0.357 4.707 4.350 0.001 0.000 0.270 358 E C -1.064 175.605 176.600 0.116 0.000 0.885 358 E CA -0.636 55.713 56.400 -0.084 0.000 0.760 358 E CB 1.927 31.387 29.700 -0.401 0.000 1.227 358 E HN 0.711 nan 8.360 nan 0.000 0.434 359 Q N 1.399 121.279 119.800 0.134 0.000 2.286 359 Q HA 0.388 4.728 4.340 0.001 0.000 0.257 359 Q C -0.416 175.695 176.000 0.186 0.000 0.941 359 Q CA -0.435 55.483 55.803 0.191 0.000 0.912 359 Q CB 1.364 30.268 28.738 0.276 0.000 1.192 359 Q HN 0.478 nan 8.270 nan 0.000 0.410 360 S N 1.823 117.563 115.700 0.066 0.000 2.558 360 S HA 0.140 4.610 4.470 0.001 0.000 0.291 360 S C -0.518 174.091 174.600 0.015 0.000 1.306 360 S CA -0.084 58.061 58.200 -0.092 0.000 1.056 360 S CB 0.189 63.301 63.200 -0.145 0.000 0.836 360 S HN 0.408 nan 8.310 nan 0.000 0.504 361 L N 4.897 126.106 121.223 -0.022 0.000 2.482 361 L HA 0.616 4.957 4.340 0.001 0.000 0.269 361 L C -0.759 175.955 176.870 -0.260 0.000 0.967 361 L CA -0.686 54.046 54.840 -0.180 0.000 0.851 361 L CB 1.402 43.324 42.059 -0.228 0.000 1.242 361 L HN 0.425 nan 8.230 nan 0.000 0.404 362 V N 2.085 121.756 119.914 -0.405 0.000 2.612 362 V HA 0.752 4.872 4.120 0.001 0.000 0.301 362 V C -0.590 175.380 176.094 -0.207 0.000 1.046 362 V CA -0.543 61.460 62.300 -0.495 0.000 0.946 362 V CB 1.434 32.806 31.823 -0.753 0.000 1.003 362 V HN 0.831 nan 8.190 nan 0.000 0.459 363 F N 4.355 124.107 119.950 -0.331 0.000 2.613 363 F HA 0.878 5.402 4.527 -0.006 0.000 0.310 363 F C -0.342 175.338 175.800 -0.199 0.000 1.085 363 F CA -0.118 57.765 58.000 -0.195 0.000 0.945 363 F CB 1.693 40.604 39.000 -0.147 0.000 1.298 363 F HN 1.197 nan 8.300 nan 0.000 0.455 364 C N 1.757 120.481 119.300 -0.960 0.000 3.249 364 C HA 0.736 5.196 4.460 0.001 0.000 0.350 364 C C -2.009 172.502 174.990 -0.798 0.000 1.431 364 C CA -0.845 57.605 59.018 -0.947 0.000 1.209 364 C CB 1.608 29.005 27.740 -0.573 0.000 1.546 364 C HN 0.979 nan 8.230 nan 0.000 0.450 365 Q N 0.655 120.218 119.800 -0.396 0.000 2.331 365 Q HA 0.688 5.029 4.340 0.001 0.000 0.272 365 Q C -0.785 175.262 176.000 0.077 0.000 1.062 365 Q CA -0.171 55.596 55.803 -0.061 0.000 0.806 365 Q CB 2.739 31.430 28.738 -0.078 0.000 1.312 365 Q HN 0.942 nan 8.270 nan 0.000 0.431 366 T N -2.152 112.515 114.554 0.190 0.000 2.918 366 T HA 0.655 5.006 4.350 0.001 0.000 0.286 366 T C -0.204 174.554 174.700 0.097 0.000 1.026 366 T CA -0.686 61.486 62.100 0.120 0.000 1.031 366 T CB 1.261 70.223 68.868 0.156 0.000 1.046 366 T HN 0.254 nan 8.240 nan 0.000 0.479 367 V N 3.533 123.471 119.914 0.041 0.000 2.370 367 V HA 0.346 4.466 4.120 0.001 0.000 0.279 367 V C 0.517 176.624 176.094 0.022 0.000 1.029 367 V CA -0.887 61.431 62.300 0.031 0.000 0.870 367 V CB 0.924 32.755 31.823 0.013 0.000 0.984 367 V HN 1.020 nan 8.190 nan 0.000 0.451 368 M N 4.690 124.310 119.600 0.034 0.000 2.252 368 M HA 0.110 4.590 4.480 0.001 0.000 0.329 368 M C 0.855 177.160 176.300 0.008 0.000 1.101 368 M CA 0.673 55.993 55.300 0.033 0.000 1.117 368 M CB 0.674 33.293 32.600 0.030 0.000 1.563 368 M HN 0.896 nan 8.290 nan 0.000 0.445 369 S N 2.156 117.858 115.700 0.002 0.000 2.572 369 S HA 0.099 4.570 4.470 0.001 0.000 0.279 369 S C 1.001 175.598 174.600 -0.004 0.000 1.341 369 S CA -0.333 57.858 58.200 -0.014 0.000 1.043 369 S CB 0.843 64.029 63.200 -0.024 0.000 0.887 369 S HN 0.816 nan 8.310 nan 0.000 0.516 370 T N 1.543 116.092 114.554 -0.009 0.000 2.665 370 T HA -0.219 4.132 4.350 0.001 0.000 0.268 370 T C 1.731 176.434 174.700 0.005 0.000 1.035 370 T CA 2.004 64.103 62.100 -0.002 0.000 1.151 370 T CB -0.704 68.160 68.868 -0.007 0.000 0.862 370 T HN 0.930 nan 8.240 nan 0.000 0.438 371 E N 0.553 120.752 120.200 -0.001 0.000 2.086 371 E HA -0.209 4.141 4.350 0.001 0.000 0.200 371 E C 2.037 178.649 176.600 0.019 0.000 1.012 371 E CA 1.441 57.843 56.400 0.003 0.000 0.812 371 E CB -0.363 29.331 29.700 -0.009 0.000 0.743 371 E HN 0.483 nan 8.360 nan 0.000 0.453 372 L N 0.395 121.631 121.223 0.022 0.000 2.240 372 L HA -0.097 4.243 4.340 0.001 0.000 0.211 372 L C 2.447 179.349 176.870 0.053 0.000 1.106 372 L CA 0.116 54.983 54.840 0.045 0.000 0.793 372 L CB -0.198 41.888 42.059 0.044 0.000 0.927 372 L HN 0.261 nan 8.230 nan 0.000 0.446 373 I N -0.074 120.515 120.570 0.031 0.000 2.163 373 I HA -0.237 3.933 4.170 0.001 0.000 0.240 373 I C 2.123 178.264 176.117 0.040 0.000 1.081 373 I CA 1.361 62.675 61.300 0.024 0.000 1.353 373 I CB -1.097 36.907 38.000 0.008 0.000 1.054 373 I HN 0.267 nan 8.210 nan 0.000 0.407 374 D N 0.629 121.052 120.400 0.039 0.000 2.172 374 D HA -0.194 4.447 4.640 0.001 0.000 0.196 374 D C 2.343 178.688 176.300 0.074 0.000 0.999 374 D CA 1.802 55.830 54.000 0.047 0.000 0.856 374 D CB -0.145 40.675 40.800 0.033 0.000 0.934 374 D HN 0.327 nan 8.370 nan 0.000 0.453 375 S N 0.192 115.946 115.700 0.090 0.000 2.368 375 S HA -0.130 4.340 4.470 0.001 0.000 0.224 375 S C 2.259 177.020 174.600 0.269 0.000 1.029 375 S CA 1.162 59.446 58.200 0.140 0.000 0.988 375 S CB -0.417 62.853 63.200 0.116 0.000 0.838 375 S HN 0.076 nan 8.310 nan 0.000 0.462 376 V N 3.169 123.227 119.914 0.241 0.000 2.311 376 V HA -0.273 3.847 4.120 0.001 0.000 0.256 376 V C 2.183 178.380 176.094 0.171 0.000 1.077 376 V CA 2.533 64.978 62.300 0.243 0.000 1.067 376 V CB -0.991 30.873 31.823 0.069 0.000 0.659 376 V HN 0.853 nan 8.190 nan 0.000 0.451 377 K N 0.139 120.616 120.400 0.129 0.000 2.455 377 K HA 0.207 4.527 4.320 0.001 0.000 0.206 377 K C 1.630 178.293 176.600 0.105 0.000 1.027 377 K CA 0.687 57.032 56.287 0.097 0.000 1.113 377 K CB 0.315 32.854 32.500 0.064 0.000 0.850 377 K HN 0.428 nan 8.250 nan 0.000 0.503 378 S N 1.041 116.829 115.700 0.146 0.000 2.399 378 S HA -0.174 4.296 4.470 0.001 0.000 0.231 378 S C 1.098 175.739 174.600 0.069 0.000 1.022 378 S CA 1.292 59.549 58.200 0.095 0.000 0.983 378 S CB -0.262 62.980 63.200 0.070 0.000 0.803 378 S HN 0.339 nan 8.310 nan 0.000 0.480 379 D N 1.016 121.476 120.400 0.100 0.000 2.347 379 D HA 0.133 4.773 4.640 0.001 0.000 0.215 379 D C 0.552 176.909 176.300 0.095 0.000 0.976 379 D CA 0.455 54.501 54.000 0.077 0.000 0.884 379 D CB -0.126 40.721 40.800 0.079 0.000 0.915 379 D HN 0.408 nan 8.370 nan 0.000 0.526 380 M N 0.370 120.021 119.600 0.085 0.000 2.255 380 M HA 0.174 4.655 4.480 0.001 0.000 0.336 380 M C 0.258 176.590 176.300 0.053 0.000 1.135 380 M CA 0.282 55.633 55.300 0.085 0.000 1.145 380 M CB 0.982 33.623 32.600 0.068 0.000 1.473 380 M HN -0.357 nan 8.290 nan 0.000 0.462 381 T N 3.434 118.010 114.554 0.036 0.000 2.963 381 T HA 0.543 4.894 4.350 0.001 0.000 0.343 381 T C -0.183 174.494 174.700 -0.037 0.000 1.146 381 T CA -0.373 61.730 62.100 0.004 0.000 1.016 381 T CB -0.094 68.776 68.868 0.002 0.000 1.046 381 T HN 0.311 nan 8.240 nan 0.000 0.496 382 I N 3.553 124.100 120.570 -0.038 0.000 2.365 382 I HA 0.454 4.624 4.170 0.001 0.000 0.291 382 I C 0.654 176.716 176.117 -0.091 0.000 1.004 382 I CA -0.122 61.120 61.300 -0.096 0.000 1.311 382 I CB 0.847 38.840 38.000 -0.011 0.000 1.401 382 I HN 0.307 nan 8.210 nan 0.000 0.491 383 R N 3.161 123.553 120.500 -0.181 0.000 2.837 383 R HA 0.812 5.153 4.340 0.001 0.000 0.271 383 R C -0.102 176.175 176.300 -0.038 0.000 0.993 383 R CA -0.549 55.504 56.100 -0.078 0.000 0.931 383 R CB 2.097 32.360 30.300 -0.062 0.000 1.206 383 R HN 0.858 nan 8.270 nan 0.000 0.474 384 G N 0.398 109.250 108.800 0.088 0.000 2.725 384 G HA2 -0.239 3.721 3.960 0.001 0.000 0.220 384 G HA3 -0.239 3.721 3.960 0.001 0.000 0.220 384 G C -0.812 174.275 174.900 0.312 0.000 1.357 384 G CA -0.360 44.854 45.100 0.191 0.000 0.866 384 G HN 0.710 nan 8.290 nan 0.000 0.548 385 T N -0.531 114.178 114.554 0.258 0.000 2.807 385 T HA 0.697 5.047 4.350 0.001 0.000 0.279 385 T C -2.703 171.907 174.700 -0.150 0.000 0.993 385 T CA -1.491 60.672 62.100 0.105 0.000 0.970 385 T CB 2.298 71.186 68.868 0.033 0.000 0.950 385 T HN 0.535 nan 8.240 nan 0.000 0.441 386 P HA 0.245 nan 4.420 nan 0.000 0.265 386 P C 1.288 178.291 177.300 -0.495 0.000 1.187 386 P CA 1.222 63.656 63.100 -1.109 0.000 0.766 386 P CB 0.178 31.476 31.700 -0.671 0.000 0.820 387 G N 1.282 109.830 108.800 -0.420 0.000 2.268 387 G HA2 -0.243 3.717 3.960 0.001 0.000 0.240 387 G HA3 -0.243 3.717 3.960 0.001 0.000 0.240 387 G C 0.223 175.069 174.900 -0.091 0.000 1.010 387 G CA -0.048 44.943 45.100 -0.181 0.000 0.618 387 G HN 0.552 nan 8.290 nan 0.000 0.516 388 E N -0.307 119.850 120.200 -0.070 0.000 2.312 388 E HA 0.601 4.951 4.350 0.001 0.000 0.259 388 E C 1.830 178.463 176.600 0.055 0.000 1.122 388 E CA -0.114 56.287 56.400 0.003 0.000 0.922 388 E CB 0.553 30.264 29.700 0.018 0.000 1.109 388 E HN 0.384 nan 8.360 nan 0.000 0.442 389 L N -1.438 119.816 121.223 0.053 0.000 2.446 389 L HA 0.104 4.445 4.340 0.001 0.000 0.219 389 L C 1.888 178.804 176.870 0.075 0.000 1.116 389 L CA 0.516 55.391 54.840 0.058 0.000 0.844 389 L CB -0.610 41.470 42.059 0.034 0.000 0.970 389 L HN 0.483 nan 8.230 nan 0.000 0.457 390 T N -3.473 111.131 114.554 0.083 0.000 3.118 390 T HA -0.094 4.257 4.350 0.001 0.000 0.260 390 T C 0.559 175.320 174.700 0.103 0.000 1.139 390 T CA 0.112 62.258 62.100 0.075 0.000 1.085 390 T CB -0.618 68.288 68.868 0.065 0.000 0.934 390 T HN 0.353 nan 8.240 nan 0.000 0.518 391 Y N 3.242 123.546 120.300 0.006 0.000 2.319 391 Y HA 0.455 5.006 4.550 0.001 0.000 0.328 391 Y C 0.056 175.962 175.900 0.011 0.000 1.133 391 Y CA -0.642 57.463 58.100 0.009 0.000 1.265 391 Y CB 0.736 39.201 38.460 0.007 0.000 1.218 391 Y HN 0.308 nan 8.280 nan 0.000 0.508 392 S N 4.690 120.021 115.700 -0.614 0.000 2.533 392 S HA 0.777 5.248 4.470 0.001 0.000 0.271 392 S C -2.088 172.205 174.600 -0.512 0.000 1.143 392 S CA -0.891 57.047 58.200 -0.438 0.000 0.891 392 S CB 1.304 64.396 63.200 -0.180 0.000 1.105 392 S HN 0.538 nan 8.310 nan 0.000 0.468 393 V N 2.430 122.165 119.914 -0.298 0.000 2.638 393 V HA 0.879 4.999 4.120 0.001 0.000 0.306 393 V C 0.038 176.115 176.094 -0.028 0.000 1.052 393 V CA 0.014 62.220 62.300 -0.157 0.000 0.885 393 V CB 1.609 33.386 31.823 -0.076 0.000 0.999 393 V HN 1.270 nan 8.190 nan 0.000 0.424 394 T N 1.913 116.478 114.554 0.018 0.000 2.883 394 T HA 0.859 5.210 4.350 0.001 0.000 0.301 394 T C -1.275 173.525 174.700 0.166 0.000 1.158 394 T CA -0.661 61.477 62.100 0.064 0.000 1.007 394 T CB 2.307 71.167 68.868 -0.014 0.000 1.186 394 T HN 1.082 nan 8.240 nan 0.000 0.499 395 Y N -1.495 118.804 120.300 -0.002 0.000 2.571 395 Y HA 0.721 5.272 4.550 0.001 0.000 0.341 395 Y C -0.801 175.100 175.900 0.003 0.000 1.076 395 Y CA -1.222 56.880 58.100 0.004 0.000 1.029 395 Y CB 0.954 39.425 38.460 0.019 0.000 1.308 395 Y HN 0.650 nan 8.280 nan 0.000 0.461 396 T N 5.379 119.892 114.554 -0.068 0.000 2.794 396 T HA 0.357 4.707 4.350 0.001 0.000 0.304 396 T C -2.701 171.932 174.700 -0.112 0.000 0.973 396 T CA -1.141 60.874 62.100 -0.141 0.000 0.972 396 T CB 0.177 69.022 68.868 -0.040 0.000 0.952 396 T HN 0.372 nan 8.240 nan 0.000 0.509 397 P HA 0.307 nan 4.420 nan 0.000 0.271 397 P C 1.145 178.464 177.300 0.031 0.000 1.216 397 P CA 0.383 63.459 63.100 -0.041 0.000 0.776 397 P CB 0.579 32.211 31.700 -0.114 0.000 0.881 398 G N 1.603 110.456 108.800 0.089 0.000 2.234 398 G HA2 -0.253 3.708 3.960 0.001 0.000 0.260 398 G HA3 -0.253 3.708 3.960 0.001 0.000 0.260 398 G C 0.482 175.402 174.900 0.032 0.000 0.987 398 G CA 0.073 45.205 45.100 0.052 0.000 0.625 398 G HN 0.873 nan 8.290 nan 0.000 0.532 399 A N 0.782 123.622 122.820 0.033 0.000 2.546 399 A HA 0.583 4.903 4.320 0.001 0.000 0.243 399 A C 1.781 179.366 177.584 0.002 0.000 1.063 399 A CA 1.474 53.519 52.037 0.013 0.000 0.757 399 A CB 0.279 19.288 19.000 0.015 0.000 0.991 399 A HN 1.805 nan 8.150 nan 0.000 0.503 400 S N 1.701 117.396 115.700 -0.008 0.000 2.447 400 S HA -0.148 4.322 4.470 0.001 0.000 0.233 400 S C 1.504 176.084 174.600 -0.033 0.000 1.006 400 S CA 1.620 59.809 58.200 -0.018 0.000 0.957 400 S CB -0.811 62.380 63.200 -0.015 0.000 0.773 400 S HN 1.231 nan 8.310 nan 0.000 0.507 401 T N -0.610 113.926 114.554 -0.030 0.000 3.148 401 T HA 0.164 4.514 4.350 0.001 0.000 0.253 401 T C 0.577 175.239 174.700 -0.062 0.000 1.134 401 T CA -0.324 61.750 62.100 -0.044 0.000 1.051 401 T CB -0.659 68.189 68.868 -0.034 0.000 0.959 401 T HN 0.214 nan 8.240 nan 0.000 0.525 402 N N 2.064 120.732 118.700 -0.054 0.000 2.454 402 N HA 0.139 4.879 4.740 0.001 0.000 0.254 402 N C 0.939 176.339 175.510 -0.183 0.000 1.228 402 N CA 0.049 53.051 53.050 -0.081 0.000 0.900 402 N CB 0.920 39.389 38.487 -0.030 0.000 1.089 402 N HN 0.356 nan 8.380 nan 0.000 0.449 403 K N 0.870 121.082 120.400 -0.313 0.000 2.323 403 K HA 0.058 4.378 4.320 0.001 0.000 0.197 403 K C -0.036 176.091 176.600 -0.788 0.000 1.043 403 K CA 0.595 56.554 56.287 -0.547 0.000 0.997 403 K CB 0.238 32.323 32.500 -0.692 0.000 0.807 403 K HN 0.571 nan 8.250 nan 0.000 0.497 404 H N 0.102 118.868 119.070 -0.507 0.000 2.710 404 H HA 0.319 4.875 4.556 0.001 0.000 0.361 404 H C -2.453 172.587 175.328 -0.479 0.000 1.175 404 H CA -2.402 53.188 56.048 -0.763 0.000 1.206 404 H CB 1.316 30.177 29.762 -1.501 0.000 1.750 404 H HN -0.156 nan 8.280 nan 0.000 0.553 405 P HA 0.045 nan 4.420 nan 0.000 0.277 405 P C 0.408 177.571 177.300 -0.229 0.000 1.271 405 P CA -0.354 62.607 63.100 -0.231 0.000 0.795 405 P CB 1.006 32.576 31.700 -0.218 0.000 1.101 406 D N -0.653 119.737 120.400 -0.017 0.000 2.219 406 D HA -0.104 4.536 4.640 0.001 0.000 0.205 406 D C 1.753 178.109 176.300 0.093 0.000 0.970 406 D CA 1.052 55.116 54.000 0.106 0.000 0.851 406 D CB -0.339 40.606 40.800 0.241 0.000 0.943 406 D HN 0.577 nan 8.370 nan 0.000 0.488 407 W N 0.131 121.500 121.300 0.114 0.000 2.407 407 W HA -0.114 4.546 4.660 -0.000 0.000 0.305 407 W C 2.045 178.621 176.519 0.095 0.000 1.196 407 W CA 0.047 57.450 57.345 0.098 0.000 1.311 407 W CB -1.450 28.066 29.460 0.093 0.000 1.135 407 W HN 0.002 nan 8.180 nan 0.000 0.514 408 W N 3.612 124.440 121.300 -0.786 0.000 2.329 408 W HA -0.258 4.403 4.660 0.001 0.000 0.324 408 W C 1.941 178.172 176.519 -0.481 0.000 1.222 408 W CA 2.254 59.101 57.345 -0.829 0.000 1.270 408 W CB -1.109 27.664 29.460 -1.145 0.000 1.167 408 W HN -0.063 nan 8.180 nan 0.000 0.467 409 N N 0.838 119.477 118.700 -0.102 0.000 2.104 409 N HA -0.228 4.512 4.740 0.001 0.000 0.190 409 N C 1.506 176.711 175.510 -0.508 0.000 1.024 409 N CA 2.148 54.948 53.050 -0.416 0.000 0.853 409 N CB -0.901 36.982 38.487 -1.006 0.000 1.008 409 N HN 0.232 nan 8.380 nan 0.000 0.424 410 E N 1.317 121.308 120.200 -0.349 0.000 2.110 410 E HA -0.083 4.268 4.350 0.001 0.000 0.193 410 E C 1.569 178.183 176.600 0.023 0.000 0.988 410 E CA 1.275 57.665 56.400 -0.015 0.000 0.804 410 E CB 0.048 29.845 29.700 0.160 0.000 0.745 410 E HN 0.274 nan 8.360 nan 0.000 0.458 411 K N -0.410 119.987 120.400 -0.005 0.000 2.025 411 K HA -0.057 4.263 4.320 0.001 0.000 0.207 411 K C 2.126 178.691 176.600 -0.060 0.000 1.049 411 K CA 1.344 57.621 56.287 -0.016 0.000 0.933 411 K CB -0.146 32.339 32.500 -0.024 0.000 0.714 411 K HN 0.068 nan 8.250 nan 0.000 0.438 412 V N 2.074 121.902 119.914 -0.144 0.000 2.343 412 V HA -0.257 3.863 4.120 0.001 0.000 0.247 412 V C 2.437 178.539 176.094 0.013 0.000 1.051 412 V CA 1.703 63.938 62.300 -0.109 0.000 1.036 412 V CB -0.471 31.263 31.823 -0.149 0.000 0.654 412 V HN 0.354 nan 8.190 nan 0.000 0.451 413 K N 0.335 120.742 120.400 0.011 0.000 2.009 413 K HA -0.247 4.073 4.320 0.001 0.000 0.210 413 K C 2.110 178.771 176.600 0.101 0.000 1.049 413 K CA 2.029 58.365 56.287 0.082 0.000 0.929 413 K CB -0.230 32.362 32.500 0.153 0.000 0.714 413 K HN 0.422 nan 8.250 nan 0.000 0.440 414 N N 0.244 119.006 118.700 0.103 0.000 2.120 414 N HA -0.191 4.550 4.740 0.001 0.000 0.188 414 N C 1.809 177.400 175.510 0.136 0.000 1.024 414 N CA 1.496 54.617 53.050 0.117 0.000 0.852 414 N CB -0.609 37.948 38.487 0.116 0.000 1.003 414 N HN 0.426 nan 8.380 nan 0.000 0.424 415 H N 0.417 119.501 119.070 0.023 0.000 2.353 415 H HA 0.097 4.653 4.556 0.000 0.000 0.300 415 H C 1.997 177.356 175.328 0.051 0.000 1.090 415 H CA 1.686 57.724 56.048 -0.016 0.000 1.327 415 H CB -0.022 29.623 29.762 -0.195 0.000 1.383 415 H HN 0.126 nan 8.280 nan 0.000 0.508 416 M N -0.929 118.682 119.600 0.018 0.000 2.349 416 M HA -0.072 4.408 4.480 0.001 0.000 0.266 416 M C 1.595 177.957 176.300 0.104 0.000 1.076 416 M CA 0.807 56.129 55.300 0.035 0.000 1.126 416 M CB 0.221 32.910 32.600 0.149 0.000 1.392 416 M HN 0.344 nan 8.290 nan 0.000 0.440 417 M N -0.510 119.157 119.600 0.110 0.000 2.357 417 M HA -0.032 4.448 4.480 0.001 0.000 0.266 417 M C 1.779 178.116 176.300 0.062 0.000 1.095 417 M CA 1.386 56.768 55.300 0.136 0.000 1.156 417 M CB -0.631 32.033 32.600 0.108 0.000 1.365 417 M HN 0.299 nan 8.290 nan 0.000 0.447 418 Q N -0.751 119.074 119.800 0.042 0.000 2.389 418 Q HA -0.027 4.313 4.340 0.001 0.000 0.204 418 Q C 0.044 175.880 176.000 -0.274 0.000 0.944 418 Q CA 0.707 56.485 55.803 -0.042 0.000 0.908 418 Q CB 0.390 29.174 28.738 0.077 0.000 1.002 418 Q HN 0.576 nan 8.270 nan 0.000 0.493 419 H N 0.109 119.098 119.070 -0.135 0.000 2.511 419 H HA 0.165 4.722 4.556 0.001 0.000 0.228 419 H C 0.387 175.622 175.328 -0.156 0.000 1.424 419 H CA -0.098 55.865 56.048 -0.141 0.000 1.321 419 H CB 0.625 30.252 29.762 -0.226 0.000 1.720 419 H HN 0.259 nan 8.280 nan 0.000 0.512 420 Q N 0.742 120.509 119.800 -0.055 0.000 2.181 420 Q HA -0.175 4.166 4.340 0.001 0.000 0.205 420 Q C 2.005 177.949 176.000 -0.093 0.000 0.980 420 Q CA 1.365 57.099 55.803 -0.115 0.000 0.862 420 Q CB 0.200 28.825 28.738 -0.188 0.000 0.905 420 Q HN 0.601 nan 8.270 nan 0.000 0.429 421 E N 1.928 122.109 120.200 -0.032 0.000 2.209 421 E HA -0.197 4.154 4.350 0.001 0.000 0.196 421 E C -0.145 176.482 176.600 0.044 0.000 0.993 421 E CA 1.106 57.509 56.400 0.006 0.000 0.819 421 E CB -0.162 29.562 29.700 0.039 0.000 0.745 421 E HN 0.237 nan 8.360 nan 0.000 0.477 422 D N 1.545 121.988 120.400 0.071 0.000 2.225 422 D HA 0.126 4.767 4.640 0.001 0.000 0.248 422 D C -1.744 174.593 176.300 0.063 0.000 1.096 422 D CA -2.169 51.897 54.000 0.110 0.000 0.863 422 D CB 1.588 42.483 40.800 0.157 0.000 1.156 422 D HN -0.117 nan 8.370 nan 0.000 0.450 423 P HA 0.159 nan 4.420 nan 0.000 0.257 423 P C -0.496 176.833 177.300 0.048 0.000 1.281 423 P CA 0.088 63.216 63.100 0.046 0.000 0.826 423 P CB 0.278 31.999 31.700 0.036 0.000 1.237 424 L N 1.669 122.926 121.223 0.057 0.000 2.346 424 L HA 0.426 4.767 4.340 0.001 0.000 0.274 424 L C -1.536 175.323 176.870 -0.019 0.000 1.007 424 L CA -2.269 52.571 54.840 0.000 0.000 0.818 424 L CB 2.690 44.718 42.059 -0.051 0.000 1.284 424 L HN -0.344 nan 8.230 nan 0.000 0.424 425 P HA 0.058 nan 4.420 nan 0.000 0.249 425 P C 0.278 177.368 177.300 -0.350 0.000 1.229 425 P CA 0.467 63.519 63.100 -0.080 0.000 0.788 425 P CB 0.288 31.962 31.700 -0.044 0.000 1.072 426 I N 2.393 122.687 120.570 -0.460 0.000 2.471 426 I HA 0.153 4.324 4.170 0.001 0.000 0.286 426 I C -1.953 173.630 176.117 -0.891 0.000 1.079 426 I CA -2.363 58.609 61.300 -0.547 0.000 1.398 426 I CB 0.286 38.075 38.000 -0.352 0.000 1.403 426 I HN -0.148 nan 8.210 nan 0.000 0.530 427 P HA 0.063 nan 4.420 nan 0.000 0.271 427 P C 0.323 177.347 177.300 -0.461 0.000 1.244 427 P CA -0.132 62.560 63.100 -0.680 0.000 0.793 427 P CB 0.489 32.026 31.700 -0.272 0.000 0.984 428 F N -0.154 119.694 119.950 -0.170 0.000 2.128 428 F HA -0.043 4.484 4.527 -0.000 0.000 0.295 428 F C 1.588 177.346 175.800 -0.071 0.000 1.100 428 F CA 1.589 59.523 58.000 -0.109 0.000 1.260 428 F CB -0.793 38.159 39.000 -0.079 0.000 1.009 428 F HN 0.342 nan 8.300 nan 0.000 0.476 429 E N 0.026 120.312 120.200 0.143 0.000 2.336 429 E HA 0.030 4.380 4.350 0.001 0.000 0.214 429 E C -0.557 176.063 176.600 0.034 0.000 1.144 429 E CA -0.280 56.170 56.400 0.084 0.000 1.294 429 E CB -0.341 29.403 29.700 0.074 0.000 1.263 429 E HN 0.101 nan 8.360 nan 0.000 0.439 430 D N 2.185 122.584 120.400 -0.002 0.000 2.493 430 D HA -0.005 4.636 4.640 0.001 0.000 0.240 430 D C -2.180 174.140 176.300 0.034 0.000 1.142 430 D CA -1.329 52.658 54.000 -0.021 0.000 0.872 430 D CB 0.731 41.482 40.800 -0.082 0.000 1.173 430 D HN -0.041 nan 8.370 nan 0.000 0.467 431 P HA 0.096 nan 4.420 nan 0.000 0.272 431 P C -0.428 176.996 177.300 0.206 0.000 1.230 431 P CA -0.302 62.887 63.100 0.149 0.000 0.788 431 P CB 0.425 32.199 31.700 0.123 0.000 0.949 432 E N 2.225 122.578 120.200 0.256 0.000 2.280 432 E HA 0.376 4.727 4.350 0.001 0.000 0.264 432 E C -2.672 173.953 176.600 0.041 0.000 1.064 432 E CA -2.351 54.121 56.400 0.119 0.000 0.900 432 E CB -0.202 29.534 29.700 0.059 0.000 1.123 432 E HN 0.199 nan 8.360 nan 0.000 0.418 433 P HA 0.161 nan 4.420 nan 0.000 0.278 433 P C -0.642 176.610 177.300 -0.080 0.000 1.238 433 P CA -0.272 62.868 63.100 0.067 0.000 0.794 433 P CB 0.560 32.273 31.700 0.023 0.000 0.955 434 Q N 1.366 121.173 119.800 0.011 0.000 3.122 434 Q HA 0.308 4.649 4.340 0.001 0.000 0.282 434 Q C -0.664 175.382 176.000 0.077 0.000 0.947 434 Q CA -0.483 55.243 55.803 -0.128 0.000 0.812 434 Q CB 1.051 29.497 28.738 -0.486 0.000 1.333 434 Q HN 0.201 nan 8.270 nan 0.000 0.430 435 V N 0.758 120.685 119.914 0.021 0.000 2.617 435 V HA 0.698 4.818 4.120 0.001 0.000 0.298 435 V C 0.355 176.437 176.094 -0.020 0.000 1.048 435 V CA -0.259 62.044 62.300 0.004 0.000 0.964 435 V CB 1.889 33.646 31.823 -0.111 0.000 1.004 435 V HN 0.508 nan 8.190 nan 0.000 0.466 436 T N 1.676 116.265 114.554 0.059 0.000 2.923 436 T HA 0.455 4.805 4.350 0.001 0.000 0.311 436 T C -0.970 173.770 174.700 0.065 0.000 1.183 436 T CA -0.323 61.786 62.100 0.015 0.000 1.020 436 T CB 1.842 70.695 68.868 -0.026 0.000 1.165 436 T HN 0.845 nan 8.240 nan 0.000 0.482 437 T N 4.472 118.975 114.554 -0.085 0.000 2.792 437 T HA 0.642 4.992 4.350 0.001 0.000 0.280 437 T C -0.222 174.397 174.700 -0.135 0.000 0.990 437 T CA -0.611 61.291 62.100 -0.329 0.000 0.960 437 T CB 0.122 68.465 68.868 -0.875 0.000 0.939 437 T HN 0.535 nan 8.240 nan 0.000 0.439 438 L N 4.610 125.811 121.223 -0.036 0.000 2.417 438 L HA 0.413 4.753 4.340 0.001 0.000 0.268 438 L C 0.710 177.644 176.870 0.107 0.000 1.158 438 L CA -0.938 53.956 54.840 0.089 0.000 0.819 438 L CB 0.249 42.335 42.059 0.045 0.000 1.112 438 L HN 0.664 nan 8.230 nan 0.000 0.458 439 F N 3.095 123.029 119.950 -0.027 0.000 2.547 439 F HA -0.158 4.369 4.527 -0.000 0.000 0.386 439 F C 0.257 175.845 175.800 -0.353 0.000 1.031 439 F CA 0.850 58.742 58.000 -0.180 0.000 1.255 439 F CB 0.181 39.074 39.000 -0.178 0.000 0.947 439 F HN 0.421 nan 8.300 nan 0.000 0.574 440 Q N 6.217 125.421 119.800 -0.994 0.000 2.418 440 Q HA 0.232 4.573 4.340 0.001 0.000 0.282 440 Q C -1.981 173.467 176.000 -0.919 0.000 1.044 440 Q CA -1.739 53.578 55.803 -0.811 0.000 0.813 440 Q CB 1.358 29.501 28.738 -0.991 0.000 1.428 440 Q HN 0.233 nan 8.270 nan 0.000 0.402 441 P HA -0.271 nan 4.420 nan 0.000 0.219 441 P C 1.289 178.323 177.300 -0.443 0.000 1.158 441 P CA 2.619 65.498 63.100 -0.368 0.000 0.895 441 P CB 0.183 31.764 31.700 -0.198 0.000 0.792 442 S N -1.749 113.676 115.700 -0.458 0.000 2.489 442 S HA -0.113 4.358 4.470 0.001 0.000 0.228 442 S C 0.622 174.970 174.600 -0.421 0.000 0.995 442 S CA 0.378 58.382 58.200 -0.327 0.000 0.934 442 S CB -1.170 61.925 63.200 -0.175 0.000 0.771 442 S HN 0.423 nan 8.310 nan 0.000 0.522 443 H N -1.175 117.452 119.070 -0.738 0.000 2.538 443 H HA 0.498 5.054 4.556 0.001 0.000 0.239 443 H C -3.199 171.029 175.328 -1.833 0.000 1.401 443 H CA -1.946 53.320 56.048 -1.303 0.000 1.499 443 H CB 0.386 29.655 29.762 -0.821 0.000 1.624 443 H HN 0.054 nan 8.280 nan 0.000 0.524 444 P HA 0.062 nan 4.420 nan 0.000 0.232 444 P C -1.234 175.597 177.300 -0.782 0.000 1.738 444 P CA 0.337 62.437 63.100 -1.667 0.000 0.948 444 P CB -1.108 30.158 31.700 -0.724 0.000 1.943 445 W N -0.729 120.377 121.300 -0.323 0.000 3.137 445 W HA 0.505 5.168 4.660 0.004 0.000 0.324 445 W C -1.087 175.551 176.519 0.198 0.000 1.253 445 W CA -1.259 56.172 57.345 0.144 0.000 1.183 445 W CB -0.034 29.494 29.460 0.113 0.000 1.424 445 W HN -0.059 nan 8.180 nan 0.000 0.566 446 H N 1.006 120.352 119.070 0.460 0.000 2.505 446 H HA 0.697 5.253 4.556 0.001 0.000 0.351 446 H C -0.268 175.190 175.328 0.217 0.000 1.151 446 H CA 0.464 56.664 56.048 0.254 0.000 1.339 446 H CB 1.512 31.351 29.762 0.128 0.000 1.483 446 H HN 0.585 nan 8.280 nan 0.000 0.558 447 T N 2.101 116.386 114.554 -0.448 0.000 2.921 447 T HA 0.473 4.823 4.350 0.001 0.000 0.297 447 T C -0.853 173.600 174.700 -0.412 0.000 1.013 447 T CA -1.089 60.723 62.100 -0.480 0.000 0.990 447 T CB 1.376 69.858 68.868 -0.645 0.000 1.023 447 T HN 0.647 nan 8.240 nan 0.000 0.447 448 Q N 2.329 122.061 119.800 -0.112 0.000 2.310 448 Q HA 0.567 4.908 4.340 0.001 0.000 0.270 448 Q C -1.229 174.720 176.000 -0.085 0.000 1.025 448 Q CA -0.771 54.898 55.803 -0.224 0.000 0.772 448 Q CB 2.352 30.842 28.738 -0.413 0.000 1.253 448 Q HN 0.710 nan 8.270 nan 0.000 0.450 449 I N 3.701 124.157 120.570 -0.191 0.000 2.405 449 I HA 0.357 4.527 4.170 0.001 0.000 0.280 449 I C -0.203 175.807 176.117 -0.179 0.000 1.027 449 I CA -0.093 60.956 61.300 -0.417 0.000 1.161 449 I CB 0.397 37.930 38.000 -0.779 0.000 1.300 449 I HN 0.734 nan 8.210 nan 0.000 0.463 450 H N 3.707 122.599 119.070 -0.297 0.000 3.255 450 H HA 0.666 5.223 4.556 0.001 0.000 0.273 450 H C -1.189 174.071 175.328 -0.112 0.000 1.573 450 H CA -1.313 54.625 56.048 -0.183 0.000 1.198 450 H CB 1.236 30.905 29.762 -0.154 0.000 1.880 450 H HN 0.117 nan 8.280 nan 0.000 0.747 451 R N 1.113 121.331 120.500 -0.470 0.000 2.510 451 R HA 0.343 4.684 4.340 0.001 0.000 0.294 451 R C -1.753 174.296 176.300 -0.419 0.000 1.056 451 R CA -0.599 55.251 56.100 -0.416 0.000 0.918 451 R CB 1.480 31.683 30.300 -0.163 0.000 1.187 451 R HN 0.852 nan 8.270 nan 0.000 0.437 452 D N 0.681 120.852 120.400 -0.382 0.000 2.547 452 D HA 0.478 5.119 4.640 0.001 0.000 0.231 452 D C -0.556 175.689 176.300 -0.093 0.000 1.099 452 D CA -0.365 53.511 54.000 -0.207 0.000 0.901 452 D CB 1.798 42.515 40.800 -0.138 0.000 1.478 452 D HN 0.558 nan 8.370 nan 0.000 0.471 453 A N 1.117 123.924 122.820 -0.022 0.000 1.751 453 A HA 0.222 4.543 4.320 0.001 0.000 0.238 453 A C 0.247 177.822 177.584 -0.016 0.000 1.198 453 A CA 1.122 53.164 52.037 0.009 0.000 0.756 453 A CB -1.788 17.206 19.000 -0.010 0.000 1.160 453 A HN 1.003 nan 8.150 nan 0.000 0.291 454 A N 2.123 124.950 122.820 0.011 0.000 2.341 454 A HA 0.674 4.995 4.320 0.001 0.000 0.326 454 A C 0.688 178.289 177.584 0.029 0.000 1.402 454 A CA 0.376 52.429 52.037 0.027 0.000 0.957 454 A CB 0.165 19.187 19.000 0.037 0.000 1.151 454 A HN 2.242 nan 8.150 nan 0.000 0.533 455 A N 3.043 125.872 122.820 0.015 0.000 2.807 455 A HA 0.563 4.884 4.320 0.001 0.000 0.307 455 A C 0.845 178.443 177.584 0.024 0.000 1.532 455 A CA 0.191 52.234 52.037 0.011 0.000 1.215 455 A CB -0.676 18.315 19.000 -0.015 0.000 1.127 455 A HN 1.766 nan 8.150 nan 0.000 0.543 456 A N 2.278 125.117 122.820 0.031 0.000 2.500 456 A HA 0.451 4.771 4.320 0.001 0.000 0.285 456 A C 1.058 178.659 177.584 0.028 0.000 1.183 456 A CA 0.445 52.503 52.037 0.035 0.000 0.851 456 A CB -0.380 18.642 19.000 0.037 0.000 1.091 456 A HN 1.332 nan 8.150 nan 0.000 0.521 457 G N 1.526 110.344 108.800 0.029 0.000 4.420 457 G HA2 0.569 4.530 3.960 0.001 0.000 0.299 457 G HA3 0.569 4.530 3.960 0.001 0.000 0.299 457 G C 0.861 175.775 174.900 0.023 0.000 1.343 457 G CA 0.740 45.854 45.100 0.024 0.000 1.272 457 G HN 2.120 nan 8.290 nan 0.000 0.610 458 A N -0.646 122.188 122.820 0.023 0.000 1.284 458 A HA -0.265 4.055 4.320 0.001 0.000 0.217 458 A C 1.838 179.436 177.584 0.023 0.000 0.488 458 A CA 1.304 53.353 52.037 0.021 0.000 1.098 458 A CB -1.580 17.430 19.000 0.017 0.000 1.469 458 A HN 0.966 nan 8.150 nan 0.000 0.723 459 V N 2.381 122.309 119.914 0.023 0.000 3.488 459 V HA -0.104 4.016 4.120 0.001 0.000 0.273 459 V C 1.699 177.811 176.094 0.030 0.000 1.209 459 V CA 1.968 64.282 62.300 0.024 0.000 1.179 459 V CB -0.790 31.046 31.823 0.021 0.000 0.842 459 V HN 0.747 nan 8.190 nan 0.000 0.515 460 Q N -1.182 118.638 119.800 0.033 0.000 2.164 460 Q HA 0.212 4.552 4.340 0.001 0.000 0.226 460 Q C 1.051 177.073 176.000 0.037 0.000 0.813 460 Q CA -0.010 55.816 55.803 0.039 0.000 0.978 460 Q CB 0.722 29.489 28.738 0.047 0.000 1.149 460 Q HN 0.654 nan 8.270 nan 0.000 0.489 461 Q N -0.015 119.805 119.800 0.033 0.000 2.342 461 Q HA 0.114 4.454 4.340 0.001 0.000 0.261 461 Q C 1.903 177.921 176.000 0.030 0.000 0.841 461 Q CA 0.576 56.398 55.803 0.032 0.000 0.969 461 Q CB 0.565 29.320 28.738 0.029 0.000 1.136 461 Q HN 0.157 nan 8.270 nan 0.000 0.528 462 S N 0.582 116.298 115.700 0.027 0.000 2.370 462 S HA -0.071 4.400 4.470 0.001 0.000 0.226 462 S C 1.052 175.668 174.600 0.028 0.000 1.033 462 S CA 0.652 58.867 58.200 0.025 0.000 1.011 462 S CB 0.022 63.235 63.200 0.022 0.000 0.852 462 S HN 0.145 nan 8.310 nan 0.000 0.457 463 I N 2.784 123.372 120.570 0.029 0.000 2.532 463 I HA 0.290 4.461 4.170 0.001 0.000 0.292 463 I C 0.363 176.502 176.117 0.037 0.000 1.014 463 I CA -0.920 60.399 61.300 0.031 0.000 1.340 463 I CB 0.526 38.544 38.000 0.029 0.000 1.422 463 I HN 0.317 nan 8.210 nan 0.000 0.528 464 D N 3.307 123.730 120.400 0.039 0.000 2.390 464 D HA -0.035 4.605 4.640 0.001 0.000 0.249 464 D C 1.099 177.425 176.300 0.043 0.000 1.144 464 D CA 0.084 54.113 54.000 0.049 0.000 0.880 464 D CB 1.250 42.084 40.800 0.057 0.000 1.182 464 D HN 0.634 nan 8.370 nan 0.000 0.451 465 S N 4.413 120.143 115.700 0.049 0.000 2.447 465 S HA -0.120 4.351 4.470 0.001 0.000 0.233 465 S C 1.640 176.259 174.600 0.032 0.000 1.006 465 S CA 0.522 58.747 58.200 0.041 0.000 0.957 465 S CB -0.004 63.223 63.200 0.045 0.000 0.773 465 S HN 0.541 nan 8.310 nan 0.000 0.507 466 R N 0.507 121.025 120.500 0.030 0.000 2.159 466 R HA 0.060 4.401 4.340 0.001 0.000 0.237 466 R C 2.059 178.359 176.300 -0.001 0.000 1.131 466 R CA 1.619 57.721 56.100 0.004 0.000 0.982 466 R CB -0.534 29.752 30.300 -0.025 0.000 0.868 466 R HN 0.466 nan 8.270 nan 0.000 0.453 467 L N 0.356 121.586 121.223 0.011 0.000 2.240 467 L HA 0.047 4.388 4.340 0.001 0.000 0.211 467 L C 0.808 177.696 176.870 0.031 0.000 1.106 467 L CA 0.300 55.150 54.840 0.016 0.000 0.793 467 L CB -0.104 41.966 42.059 0.018 0.000 0.927 467 L HN 0.073 nan 8.230 nan 0.000 0.446 468 I N 0.410 121.000 120.570 0.032 0.000 2.416 468 I HA 0.109 4.280 4.170 0.001 0.000 0.288 468 I C -0.391 175.747 176.117 0.034 0.000 1.051 468 I CA 0.085 61.410 61.300 0.043 0.000 1.375 468 I CB 1.280 39.303 38.000 0.038 0.000 1.407 468 I HN -0.254 nan 8.210 nan 0.000 0.516 469 V N 5.566 125.517 119.914 0.062 0.000 2.656 469 V HA 0.328 4.449 4.120 0.001 0.000 0.307 469 V C -0.727 175.378 176.094 0.018 0.000 1.051 469 V CA -0.850 61.450 62.300 -0.001 0.000 0.893 469 V CB 2.131 33.944 31.823 -0.017 0.000 0.999 469 V HN 0.556 nan 8.190 nan 0.000 0.426 470 D N 2.904 123.249 120.400 -0.091 0.000 2.225 470 D HA 0.397 5.037 4.640 0.001 0.000 0.248 470 D C -0.936 175.296 176.300 -0.114 0.000 1.096 470 D CA 0.101 54.100 54.000 -0.001 0.000 0.863 470 D CB 1.118 41.927 40.800 0.015 0.000 1.156 470 D HN 0.399 nan 8.370 nan 0.000 0.450 471 W N 2.030 123.348 121.300 0.030 0.000 2.475 471 W HA 0.469 5.128 4.660 -0.002 0.000 0.317 471 W C 0.406 177.016 176.519 0.151 0.000 1.046 471 W CA -0.872 56.532 57.345 0.100 0.000 1.215 471 W CB 1.126 30.543 29.460 -0.072 0.000 1.335 471 W HN -0.070 nan 8.180 nan 0.000 0.471 472 R N 2.874 123.645 120.500 0.451 0.000 2.502 472 R HA 0.513 4.853 4.340 0.001 0.000 0.300 472 R C -1.645 174.875 176.300 0.367 0.000 0.984 472 R CA -0.956 55.297 56.100 0.256 0.000 0.882 472 R CB 1.766 32.126 30.300 0.099 0.000 1.180 472 R HN 0.196 nan 8.270 nan 0.000 0.444 473 F N 2.821 122.653 119.950 -0.196 0.000 2.467 473 F HA 0.469 4.998 4.527 0.002 0.000 0.336 473 F C -0.448 175.253 175.800 -0.165 0.000 1.123 473 F CA -1.530 56.426 58.000 -0.073 0.000 0.964 473 F CB 1.145 40.024 39.000 -0.202 0.000 1.136 473 F HN 0.340 nan 8.300 nan 0.000 0.447 474 F N 2.089 122.186 119.950 0.245 0.000 2.325 474 F HA 0.570 5.099 4.527 0.003 0.000 0.369 474 F C 0.789 176.779 175.800 0.317 0.000 1.095 474 F CA -1.129 57.033 58.000 0.270 0.000 1.082 474 F CB 0.852 40.068 39.000 0.361 0.000 1.289 474 F HN 0.521 nan 8.300 nan 0.000 0.462 475 G N 2.568 111.587 108.800 0.363 0.000 2.616 475 G HA2 0.526 4.486 3.960 0.001 0.000 0.268 475 G HA3 0.526 4.486 3.960 0.001 0.000 0.268 475 G C -0.514 174.570 174.900 0.307 0.000 1.213 475 G CA -0.889 44.427 45.100 0.361 0.000 0.926 475 G HN 0.695 nan 8.290 nan 0.000 0.523 476 R N -1.345 119.326 120.500 0.286 0.000 2.664 476 R HA 0.682 5.022 4.340 0.001 0.000 0.286 476 R C -1.287 175.101 176.300 0.147 0.000 0.967 476 R CA -0.696 55.496 56.100 0.154 0.000 0.933 476 R CB 1.585 31.982 30.300 0.160 0.000 1.146 476 R HN 0.311 nan 8.270 nan 0.000 0.468 477 T N 1.803 116.414 114.554 0.094 0.000 2.809 477 T HA 0.170 4.520 4.350 0.001 0.000 0.284 477 T C -0.723 174.054 174.700 0.129 0.000 0.992 477 T CA -0.815 61.386 62.100 0.169 0.000 0.957 477 T CB 1.297 70.338 68.868 0.288 0.000 0.942 477 T HN 0.580 nan 8.240 nan 0.000 0.439 478 E N 4.634 124.912 120.200 0.131 0.000 2.868 478 E HA -0.013 4.337 4.350 0.001 0.000 0.246 478 E C -2.049 174.628 176.600 0.128 0.000 0.962 478 E CA -0.845 55.624 56.400 0.116 0.000 0.955 478 E CB 0.055 29.814 29.700 0.097 0.000 0.903 478 E HN 0.331 nan 8.360 nan 0.000 0.524 479 P HA -0.009 nan 4.420 nan 0.000 0.266 479 P C -0.802 176.637 177.300 0.232 0.000 1.215 479 P CA 0.471 63.702 63.100 0.218 0.000 0.763 479 P CB 0.579 32.425 31.700 0.245 0.000 0.806 480 K N 3.099 123.575 120.400 0.125 0.000 2.471 480 K HA 0.118 4.438 4.320 0.001 0.000 0.252 480 K C 1.030 177.441 176.600 -0.316 0.000 0.938 480 K CA -0.617 55.655 56.287 -0.024 0.000 0.796 480 K CB 2.323 34.774 32.500 -0.081 0.000 1.161 480 K HN 0.427 nan 8.250 nan 0.000 0.425 481 E N 2.612 122.394 120.200 -0.696 0.000 2.136 481 E HA -0.282 4.068 4.350 0.001 0.000 0.202 481 E C 1.183 177.516 176.600 -0.445 0.000 1.019 481 E CA 2.113 57.900 56.400 -1.022 0.000 0.819 481 E CB 0.371 29.654 29.700 -0.694 0.000 0.739 481 E HN 0.570 nan 8.360 nan 0.000 0.458 482 E N 0.460 120.498 120.200 -0.271 0.000 2.333 482 E HA -0.150 4.201 4.350 0.001 0.000 0.198 482 E C 0.012 176.524 176.600 -0.147 0.000 1.007 482 E CA 0.496 56.791 56.400 -0.175 0.000 0.845 482 E CB -0.414 29.202 29.700 -0.139 0.000 0.766 482 E HN 0.165 nan 8.360 nan 0.000 0.507 483 N N 1.931 120.528 118.700 -0.171 0.000 2.406 483 N HA 0.180 4.920 4.740 0.001 0.000 0.251 483 N C -0.661 174.878 175.510 0.048 0.000 1.069 483 N CA 0.098 53.084 53.050 -0.107 0.000 0.947 483 N CB 1.167 39.520 38.487 -0.224 0.000 1.111 483 N HN 0.103 nan 8.380 nan 0.000 0.497 484 K N 0.992 121.480 120.400 0.147 0.000 2.385 484 K HA 0.486 4.807 4.320 0.001 0.000 0.248 484 K C -0.953 175.817 176.600 0.284 0.000 0.955 484 K CA -0.874 55.538 56.287 0.209 0.000 0.816 484 K CB 2.136 34.758 32.500 0.203 0.000 1.250 484 K HN 0.175 nan 8.250 nan 0.000 0.434 485 L N 4.022 125.363 121.223 0.198 0.000 2.294 485 L HA 0.519 4.859 4.340 0.001 0.000 0.283 485 L C -1.338 175.453 176.870 -0.132 0.000 1.015 485 L CA -0.111 54.697 54.840 -0.054 0.000 0.831 485 L CB 0.332 42.374 42.059 -0.029 0.000 1.217 485 L HN 0.643 nan 8.230 nan 0.000 0.420 486 W N 3.729 124.750 121.300 -0.464 0.000 2.894 486 W HA 0.653 5.314 4.660 0.002 0.000 0.345 486 W C -2.010 174.041 176.519 -0.779 0.000 1.152 486 W CA -1.321 55.776 57.345 -0.414 0.000 1.089 486 W CB 0.716 30.096 29.460 -0.133 0.000 1.454 486 W HN 0.299 nan 8.180 nan 0.000 0.589 487 F N 1.217 121.294 119.950 0.211 0.000 2.520 487 F HA 0.366 4.894 4.527 0.001 0.000 0.322 487 F C 0.704 176.631 175.800 0.211 0.000 1.103 487 F CA -1.025 56.993 58.000 0.031 0.000 0.926 487 F CB 2.071 41.088 39.000 0.028 0.000 1.154 487 F HN 0.219 nan 8.300 nan 0.000 0.453 488 S N 1.112 116.932 115.700 0.201 0.000 2.548 488 S HA 0.088 4.558 4.470 0.001 0.000 0.277 488 S C 0.764 175.498 174.600 0.224 0.000 1.315 488 S CA -0.674 57.684 58.200 0.263 0.000 1.050 488 S CB 0.387 63.654 63.200 0.112 0.000 0.918 488 S HN 0.689 nan 8.310 nan 0.000 0.497 489 D N 3.695 124.222 120.400 0.212 0.000 2.347 489 D HA -0.053 4.587 4.640 0.001 0.000 0.213 489 D C 1.232 177.588 176.300 0.094 0.000 0.985 489 D CA 0.652 54.732 54.000 0.134 0.000 0.879 489 D CB 0.063 40.928 40.800 0.108 0.000 0.919 489 D HN 0.658 nan 8.370 nan 0.000 0.526 490 K N -0.036 120.423 120.400 0.099 0.000 2.424 490 K HA 0.080 4.400 4.320 0.001 0.000 0.198 490 K C 0.534 177.171 176.600 0.061 0.000 1.190 490 K CA -0.231 56.098 56.287 0.069 0.000 0.935 490 K CB 0.527 33.065 32.500 0.063 0.000 1.087 490 K HN -0.040 nan 8.250 nan 0.000 0.524 491 I N 3.692 124.302 120.570 0.068 0.000 2.662 491 I HA 0.145 4.315 4.170 0.001 0.000 0.291 491 I C 0.243 176.388 176.117 0.046 0.000 1.046 491 I CA -0.054 61.275 61.300 0.047 0.000 1.361 491 I CB 1.282 39.300 38.000 0.030 0.000 1.429 491 I HN 0.229 nan 8.210 nan 0.000 0.558 492 T N 0.585 115.162 114.554 0.038 0.000 2.906 492 T HA 0.513 4.863 4.350 0.001 0.000 0.295 492 T C -0.443 174.283 174.700 0.044 0.000 1.061 492 T CA -0.956 61.170 62.100 0.044 0.000 1.000 492 T CB 2.426 71.315 68.868 0.035 0.000 1.103 492 T HN 0.572 nan 8.240 nan 0.000 0.486 493 D N 1.155 121.595 120.400 0.068 0.000 2.453 493 D HA 0.516 5.156 4.640 0.001 0.000 0.282 493 D C 1.710 178.050 176.300 0.068 0.000 1.222 493 D CA -0.340 53.708 54.000 0.081 0.000 1.079 493 D CB -0.111 40.770 40.800 0.136 0.000 1.128 493 D HN 0.615 nan 8.370 nan 0.000 0.568 494 A N -1.366 121.500 122.820 0.076 0.000 1.930 494 A HA -0.102 4.218 4.320 0.001 0.000 0.217 494 A C 1.364 178.861 177.584 -0.145 0.000 1.175 494 A CA 0.938 52.944 52.037 -0.052 0.000 0.627 494 A CB -0.955 17.989 19.000 -0.092 0.000 0.815 494 A HN 0.547 nan 8.150 nan 0.000 0.443 495 Y N -0.846 119.478 120.300 0.039 0.000 2.746 495 Y HA 0.290 4.840 4.550 -0.000 0.000 0.312 495 Y C 0.741 176.658 175.900 0.029 0.000 1.117 495 Y CA -0.045 58.081 58.100 0.043 0.000 1.324 495 Y CB -0.554 37.927 38.460 0.036 0.000 1.173 495 Y HN 0.532 nan 8.280 nan 0.000 0.529 496 N N -0.252 118.514 118.700 0.111 0.000 2.818 496 N HA -0.162 4.579 4.740 0.001 0.000 0.250 496 N C -0.689 174.848 175.510 0.045 0.000 1.108 496 N CA 0.324 53.405 53.050 0.051 0.000 0.745 496 N CB -0.420 38.076 38.487 0.016 0.000 1.104 496 N HN 0.127 nan 8.380 nan 0.000 0.557 497 M N -0.213 119.431 119.600 0.074 0.000 2.664 497 M HA 0.479 4.959 4.480 0.001 0.000 0.314 497 M C -2.271 174.065 176.300 0.060 0.000 1.200 497 M CA -1.869 53.460 55.300 0.048 0.000 0.916 497 M CB 0.988 33.621 32.600 0.056 0.000 1.717 497 M HN -0.235 nan 8.290 nan 0.000 0.470 498 P HA 0.035 nan 4.420 nan 0.000 0.266 498 P C -0.800 176.608 177.300 0.180 0.000 1.195 498 P CA -0.032 63.129 63.100 0.101 0.000 0.768 498 P CB 0.337 32.099 31.700 0.104 0.000 0.838 499 Q N 5.396 125.269 119.800 0.122 0.000 2.296 499 Q HA 0.268 4.608 4.340 0.001 0.000 0.262 499 Q C -2.410 173.548 176.000 -0.069 0.000 0.981 499 Q CA -2.028 53.800 55.803 0.041 0.000 0.905 499 Q CB -0.109 28.604 28.738 -0.041 0.000 1.186 499 Q HN 0.264 nan 8.270 nan 0.000 0.399 500 P HA 0.250 nan 4.420 nan 0.000 0.274 500 P C -1.127 175.657 177.300 -0.860 0.000 1.231 500 P CA -0.322 62.382 63.100 -0.659 0.000 0.790 500 P CB 1.195 32.580 31.700 -0.525 0.000 0.951 501 T N 1.558 115.362 114.554 -1.250 0.000 2.993 501 T HA 0.517 4.867 4.350 0.001 0.000 0.312 501 T C -1.180 172.876 174.700 -1.073 0.000 1.115 501 T CA -0.126 61.268 62.100 -1.177 0.000 1.027 501 T CB 0.447 68.346 68.868 -1.616 0.000 1.116 501 T HN -0.000 nan 8.240 nan 0.000 0.464 502 F N 2.085 121.795 119.950 -0.399 0.000 2.436 502 F HA 0.480 5.007 4.527 0.000 0.000 0.340 502 F C 0.475 176.272 175.800 -0.005 0.000 1.113 502 F CA -1.217 56.679 58.000 -0.174 0.000 1.022 502 F CB 1.334 40.265 39.000 -0.116 0.000 1.128 502 F HN 0.391 nan 8.300 nan 0.000 0.466 503 D N 4.135 124.730 120.400 0.325 0.000 2.460 503 D HA 0.201 4.841 4.640 0.001 0.000 0.268 503 D C -1.606 174.809 176.300 0.190 0.000 1.153 503 D CA -0.037 54.112 54.000 0.249 0.000 0.929 503 D CB 0.036 40.996 40.800 0.267 0.000 1.015 503 D HN 0.251 nan 8.370 nan 0.000 0.502 504 F N 2.382 122.318 119.950 -0.023 0.000 2.547 504 F HA 0.542 5.070 4.527 0.001 0.000 0.316 504 F C -0.795 174.860 175.800 -0.240 0.000 1.121 504 F CA -0.698 57.204 58.000 -0.164 0.000 0.911 504 F CB 1.436 40.251 39.000 -0.308 0.000 1.179 504 F HN 0.028 nan 8.300 nan 0.000 0.443 505 R N 4.047 124.184 120.500 -0.604 0.000 2.771 505 R HA 0.499 4.840 4.340 0.001 0.000 0.274 505 R C -1.610 174.209 176.300 -0.802 0.000 0.987 505 R CA -0.930 54.902 56.100 -0.446 0.000 0.908 505 R CB 1.701 31.883 30.300 -0.198 0.000 1.213 505 R HN 0.544 nan 8.270 nan 0.000 0.468 506 F N 2.607 122.487 119.950 -0.116 0.000 2.495 506 F HA 0.244 4.770 4.527 -0.001 0.000 0.365 506 F C -1.533 174.186 175.800 -0.134 0.000 1.090 506 F CA -1.742 56.220 58.000 -0.063 0.000 1.235 506 F CB 0.204 39.266 39.000 0.104 0.000 1.119 506 F HN 0.235 nan 8.300 nan 0.000 0.562 507 P HA 0.091 nan 4.420 nan 0.000 0.264 507 P C -0.431 176.894 177.300 0.041 0.000 1.193 507 P CA -0.066 63.024 63.100 -0.015 0.000 0.763 507 P CB 0.465 32.165 31.700 0.001 0.000 0.810 508 A N 3.161 125.990 122.820 0.015 0.000 2.346 508 A HA 0.554 4.874 4.320 0.001 0.000 0.255 508 A C 1.282 178.885 177.584 0.033 0.000 1.113 508 A CA 0.780 52.831 52.037 0.024 0.000 0.798 508 A CB -0.931 18.073 19.000 0.008 0.000 1.073 508 A HN 0.803 nan 8.150 nan 0.000 0.502 509 G N -0.234 108.587 108.800 0.035 0.000 2.742 509 G HA2 -0.268 3.693 3.960 0.001 0.000 0.255 509 G HA3 -0.268 3.693 3.960 0.001 0.000 0.255 509 G C 1.189 176.124 174.900 0.058 0.000 1.322 509 G CA 0.796 45.920 45.100 0.041 0.000 0.967 509 G HN 0.935 nan 8.290 nan 0.000 0.556 510 R N 0.141 120.682 120.500 0.067 0.000 2.062 510 R HA 0.034 4.375 4.340 0.001 0.000 0.226 510 R C 2.866 179.231 176.300 0.108 0.000 1.125 510 R CA 2.239 58.390 56.100 0.084 0.000 0.966 510 R CB -0.713 29.636 30.300 0.082 0.000 0.861 510 R HN 0.588 nan 8.270 nan 0.000 0.433 511 T N 0.351 114.973 114.554 0.113 0.000 2.720 511 T HA -0.110 4.240 4.350 0.001 0.000 0.268 511 T C 1.952 176.715 174.700 0.106 0.000 1.037 511 T CA 1.774 63.955 62.100 0.135 0.000 1.144 511 T CB -0.199 68.766 68.868 0.162 0.000 0.864 511 T HN 0.215 nan 8.240 nan 0.000 0.444 512 S N 0.634 116.384 115.700 0.083 0.000 2.345 512 S HA -0.063 4.407 4.470 0.001 0.000 0.220 512 S C 2.046 176.676 174.600 0.049 0.000 1.031 512 S CA 0.953 59.179 58.200 0.043 0.000 0.996 512 S CB -0.249 62.971 63.200 0.032 0.000 0.882 512 S HN 0.436 nan 8.310 nan 0.000 0.445 513 K N 1.180 121.621 120.400 0.068 0.000 2.020 513 K HA -0.199 4.121 4.320 0.001 0.000 0.212 513 K C 1.998 178.675 176.600 0.129 0.000 1.050 513 K CA 1.706 58.044 56.287 0.085 0.000 0.929 513 K CB -0.256 32.295 32.500 0.085 0.000 0.714 513 K HN 0.397 nan 8.250 nan 0.000 0.443 514 E N -0.346 119.957 120.200 0.171 0.000 2.085 514 E HA -0.192 4.159 4.350 0.001 0.000 0.194 514 E C 1.930 178.663 176.600 0.221 0.000 0.994 514 E CA 1.059 57.631 56.400 0.287 0.000 0.801 514 E CB -0.114 29.776 29.700 0.317 0.000 0.743 514 E HN 0.441 nan 8.360 nan 0.000 0.453 515 A N 1.150 124.056 122.820 0.144 0.000 1.933 515 A HA -0.227 4.094 4.320 0.001 0.000 0.218 515 A C 2.024 179.702 177.584 0.155 0.000 1.175 515 A CA 1.752 53.865 52.037 0.126 0.000 0.628 515 A CB -0.270 18.775 19.000 0.076 0.000 0.814 515 A HN 0.145 nan 8.150 nan 0.000 0.444 516 E N 0.249 120.526 120.200 0.128 0.000 2.170 516 E HA -0.090 4.260 4.350 0.001 0.000 0.191 516 E C 1.253 177.852 176.600 -0.001 0.000 0.981 516 E CA 1.080 57.551 56.400 0.119 0.000 0.830 516 E CB -0.203 29.546 29.700 0.081 0.000 0.775 516 E HN 0.471 nan 8.360 nan 0.000 0.470 517 D N 0.401 120.811 120.400 0.017 0.000 2.116 517 D HA -0.235 4.405 4.640 0.001 0.000 0.193 517 D C 1.904 178.005 176.300 -0.331 0.000 0.998 517 D CA 1.485 55.492 54.000 0.012 0.000 0.836 517 D CB -0.374 40.582 40.800 0.260 0.000 0.951 517 D HN 0.311 nan 8.370 nan 0.000 0.449 518 M N -0.232 118.911 119.600 -0.763 0.000 2.073 518 M HA -0.269 4.211 4.480 0.001 0.000 0.258 518 M C 2.205 178.097 176.300 -0.680 0.000 1.070 518 M CA 1.527 56.034 55.300 -1.321 0.000 1.103 518 M CB -0.059 31.964 32.600 -0.962 0.000 1.321 518 M HN 0.002 nan 8.290 nan 0.000 0.405 519 M N 0.206 119.519 119.600 -0.479 0.000 2.073 519 M HA -0.194 4.286 4.480 0.001 0.000 0.258 519 M C 1.775 177.865 176.300 -0.349 0.000 1.070 519 M CA 2.580 57.602 55.300 -0.464 0.000 1.103 519 M CB -0.815 31.566 32.600 -0.365 0.000 1.321 519 M HN 0.300 nan 8.290 nan 0.000 0.405 520 T N -0.389 114.035 114.554 -0.216 0.000 2.881 520 T HA -0.136 4.214 4.350 0.001 0.000 0.270 520 T C 1.383 176.019 174.700 -0.107 0.000 1.068 520 T CA 1.584 63.610 62.100 -0.122 0.000 1.131 520 T CB -0.554 68.288 68.868 -0.042 0.000 0.871 520 T HN 0.536 nan 8.240 nan 0.000 0.479 521 D N 0.809 121.134 120.400 -0.126 0.000 2.123 521 D HA -0.000 4.640 4.640 0.001 0.000 0.200 521 D C 2.048 178.282 176.300 -0.109 0.000 0.976 521 D CA 0.649 54.672 54.000 0.038 0.000 0.831 521 D CB -0.219 40.720 40.800 0.232 0.000 0.974 521 D HN 0.295 nan 8.370 nan 0.000 0.469 522 M N -0.405 118.864 119.600 -0.552 0.000 2.159 522 M HA -0.158 4.322 4.480 0.001 0.000 0.263 522 M C 1.695 177.659 176.300 -0.559 0.000 1.063 522 M CA 1.373 56.056 55.300 -1.030 0.000 1.110 522 M CB -0.111 31.675 32.600 -1.357 0.000 1.374 522 M HN 0.171 nan 8.290 nan 0.000 0.411 523 C N -0.457 118.644 119.300 -0.332 0.000 2.466 523 C HA -0.053 4.407 4.460 0.001 0.000 0.278 523 C C 2.657 177.538 174.990 -0.183 0.000 1.288 523 C CA 0.593 59.514 59.018 -0.161 0.000 1.722 523 C CB -0.875 26.841 27.740 -0.041 0.000 2.017 523 C HN 0.497 nan 8.230 nan 0.000 0.488 524 V N 0.810 120.658 119.914 -0.109 0.000 2.343 524 V HA -0.291 3.830 4.120 0.001 0.000 0.247 524 V C 2.380 178.456 176.094 -0.031 0.000 1.051 524 V CA 2.305 64.579 62.300 -0.044 0.000 1.036 524 V CB -0.616 31.239 31.823 0.053 0.000 0.654 524 V HN 0.602 nan 8.190 nan 0.000 0.451 525 M N 0.546 120.151 119.600 0.008 0.000 2.098 525 M HA -0.140 4.341 4.480 0.001 0.000 0.262 525 M C 2.550 178.724 176.300 -0.210 0.000 1.072 525 M CA 2.205 57.596 55.300 0.152 0.000 1.133 525 M CB -0.196 32.649 32.600 0.408 0.000 1.344 525 M HN 0.508 nan 8.290 nan 0.000 0.414 526 S N 0.942 116.178 115.700 -0.774 0.000 2.387 526 S HA -0.151 4.319 4.470 0.001 0.000 0.230 526 S C 2.043 176.248 174.600 -0.658 0.000 1.035 526 S CA 1.247 58.598 58.200 -1.416 0.000 1.014 526 S CB -1.136 61.088 63.200 -1.626 0.000 0.836 526 S HN 0.604 nan 8.310 nan 0.000 0.466 527 A N 2.351 124.884 122.820 -0.479 0.000 1.986 527 A HA -0.164 4.157 4.320 0.001 0.000 0.220 527 A C 2.240 179.688 177.584 -0.226 0.000 1.171 527 A CA 1.788 53.603 52.037 -0.369 0.000 0.640 527 A CB -0.667 18.151 19.000 -0.303 0.000 0.811 527 A HN 0.679 nan 8.150 nan 0.000 0.451 528 K N -0.805 119.503 120.400 -0.153 0.000 2.148 528 K HA -0.037 4.283 4.320 0.001 0.000 0.204 528 K C 1.490 178.075 176.600 -0.025 0.000 1.050 528 K CA 1.150 57.395 56.287 -0.071 0.000 0.942 528 K CB -0.152 32.338 32.500 -0.017 0.000 0.724 528 K HN 0.427 nan 8.250 nan 0.000 0.446 529 I N -0.371 120.213 120.570 0.024 0.000 2.867 529 I HA 0.085 4.256 4.170 0.001 0.000 0.265 529 I C 1.224 177.355 176.117 0.023 0.000 1.162 529 I CA 0.688 62.045 61.300 0.096 0.000 1.471 529 I CB -0.327 37.869 38.000 0.326 0.000 1.123 529 I HN 0.183 nan 8.210 nan 0.000 0.440 530 G N -0.710 108.047 108.800 -0.072 0.000 2.324 530 G HA2 0.372 4.332 3.960 0.001 0.000 0.293 530 G HA3 0.372 4.332 3.960 0.001 0.000 0.293 530 G C -0.547 174.203 174.900 -0.251 0.000 1.297 530 G CA -0.304 44.724 45.100 -0.120 0.000 0.853 530 G HN 0.285 nan 8.290 nan 0.000 0.535 531 G N -0.949 107.707 108.800 -0.240 0.000 2.503 531 G HA2 0.572 4.533 3.960 0.001 0.000 0.257 531 G HA3 0.572 4.533 3.960 0.001 0.000 0.257 531 G C 0.020 174.750 174.900 -0.284 0.000 1.214 531 G CA -0.425 44.450 45.100 -0.376 0.000 0.839 531 G HN 0.547 nan 8.290 nan 0.000 0.559 532 F N -0.554 119.303 119.950 -0.156 0.000 2.626 532 F HA 0.128 4.657 4.527 0.004 0.000 0.354 532 F C 0.753 176.492 175.800 -0.102 0.000 1.168 532 F CA -0.451 57.454 58.000 -0.159 0.000 1.368 532 F CB 0.424 39.320 39.000 -0.173 0.000 1.092 532 F HN 0.261 nan 8.300 nan 0.000 0.612 533 L N 5.251 126.544 121.223 0.116 0.000 2.255 533 L HA 0.534 4.874 4.340 0.001 0.000 0.289 533 L C -2.518 174.376 176.870 0.040 0.000 1.046 533 L CA -1.861 53.011 54.840 0.054 0.000 0.816 533 L CB 0.650 42.731 42.059 0.037 0.000 1.197 533 L HN 0.247 nan 8.230 nan 0.000 0.427 534 P HA 0.066 nan 4.420 nan 0.000 0.265 534 P C 0.731 178.037 177.300 0.010 0.000 1.167 534 P CA 1.454 64.566 63.100 0.019 0.000 0.760 534 P CB 0.484 32.195 31.700 0.019 0.000 0.783 535 G N 1.514 110.314 108.800 -0.001 0.000 2.179 535 G HA2 -0.223 3.737 3.960 0.001 0.000 0.260 535 G HA3 -0.223 3.737 3.960 0.001 0.000 0.260 535 G C 0.268 175.183 174.900 0.024 0.000 0.977 535 G CA 0.234 45.341 45.100 0.012 0.000 0.641 535 G HN 0.562 nan 8.290 nan 0.000 0.533 536 S N 0.143 115.829 115.700 -0.023 0.000 2.630 536 S HA 0.419 4.889 4.470 0.001 0.000 0.173 536 S C 0.120 174.577 174.600 -0.239 0.000 1.048 536 S CA -0.648 57.505 58.200 -0.077 0.000 1.172 536 S CB 0.274 63.423 63.200 -0.084 0.000 1.638 536 S HN 0.487 nan 8.310 nan 0.000 0.429 537 L N 1.497 122.568 121.223 -0.253 0.000 2.421 537 L HA 0.480 4.821 4.340 0.001 0.000 0.263 537 L C -2.369 174.149 176.870 -0.586 0.000 1.122 537 L CA -2.635 51.905 54.840 -0.500 0.000 0.804 537 L CB 0.130 41.970 42.059 -0.364 0.000 1.150 537 L HN 0.025 nan 8.230 nan 0.000 0.457 538 P HA -0.045 nan 4.420 nan 0.000 0.258 538 P C -1.199 175.857 177.300 -0.406 0.000 1.172 538 P CA 0.396 63.080 63.100 -0.692 0.000 0.762 538 P CB 0.230 31.467 31.700 -0.773 0.000 0.764 539 Q N 2.317 121.942 119.800 -0.291 0.000 2.462 539 Q HA 0.496 4.837 4.340 0.001 0.000 0.285 539 Q C -1.381 174.504 176.000 -0.192 0.000 1.035 539 Q CA -0.907 54.806 55.803 -0.150 0.000 0.799 539 Q CB 1.025 29.741 28.738 -0.036 0.000 1.452 539 Q HN 0.091 nan 8.270 nan 0.000 0.404 540 F N 1.404 121.296 119.950 -0.098 0.000 2.396 540 F HA 0.364 4.889 4.527 -0.003 0.000 0.343 540 F C 0.420 176.179 175.800 -0.069 0.000 1.104 540 F CA -0.323 57.619 58.000 -0.097 0.000 1.161 540 F CB 1.231 40.167 39.000 -0.106 0.000 1.146 540 F HN 0.392 nan 8.300 nan 0.000 0.522 541 M N 2.026 121.691 119.600 0.108 0.000 2.444 541 M HA 0.231 4.712 4.480 0.001 0.000 0.319 541 M C -0.005 176.328 176.300 0.056 0.000 1.183 541 M CA -0.976 54.340 55.300 0.027 0.000 1.032 541 M CB 0.824 33.385 32.600 -0.064 0.000 1.569 541 M HN 0.430 nan 8.290 nan 0.000 0.468 542 E N 1.837 122.046 120.200 0.015 0.000 2.708 542 E HA 0.005 4.356 4.350 0.001 0.000 0.260 542 E C -2.259 174.358 176.600 0.029 0.000 0.937 542 E CA -0.990 55.419 56.400 0.015 0.000 0.953 542 E CB -0.789 28.899 29.700 -0.019 0.000 0.915 542 E HN 0.243 nan 8.360 nan 0.000 0.487 543 P HA 0.059 nan 4.420 nan 0.000 0.267 543 P C 0.896 178.132 177.300 -0.107 0.000 1.209 543 P CA 0.895 64.025 63.100 0.051 0.000 0.763 543 P CB 0.588 32.289 31.700 0.003 0.000 0.816 544 G N 2.623 111.352 108.800 -0.118 0.000 2.258 544 G HA2 -0.338 3.622 3.960 0.001 0.000 0.233 544 G HA3 -0.338 3.622 3.960 0.001 0.000 0.233 544 G C 0.796 175.650 174.900 -0.077 0.000 1.006 544 G CA 0.228 45.229 45.100 -0.166 0.000 0.620 544 G HN 0.543 nan 8.290 nan 0.000 0.511 545 L N 1.209 122.397 121.223 -0.058 0.000 2.129 545 L HA 0.076 4.416 4.340 0.001 0.000 0.212 545 L C 2.797 179.635 176.870 -0.053 0.000 1.087 545 L CA 2.695 57.505 54.840 -0.051 0.000 0.757 545 L CB -0.267 41.752 42.059 -0.067 0.000 0.896 545 L HN 0.548 nan 8.230 nan 0.000 0.434 546 V N -0.129 119.747 119.914 -0.064 0.000 2.568 546 V HA -0.196 3.924 4.120 0.001 0.000 0.253 546 V C 1.606 177.608 176.094 -0.154 0.000 1.072 546 V CA 1.454 63.688 62.300 -0.110 0.000 1.084 546 V CB -0.342 31.435 31.823 -0.077 0.000 0.676 546 V HN 0.518 nan 8.190 nan 0.000 0.469 547 L N -0.133 121.079 121.223 -0.018 0.000 3.608 547 L HA -0.244 4.096 4.340 0.001 0.000 0.422 547 L C 0.349 177.370 176.870 0.252 0.000 1.260 547 L CA 0.874 55.772 54.840 0.097 0.000 0.889 547 L CB -2.388 39.752 42.059 0.135 0.000 1.821 547 L HN 0.569 nan 8.230 nan 0.000 0.884 548 H N -0.814 118.369 119.070 0.188 0.000 2.467 548 H HA 0.285 4.843 4.556 0.003 0.000 0.275 548 H C 0.559 176.034 175.328 0.245 0.000 1.131 548 H CA -1.018 55.185 56.048 0.258 0.000 0.989 548 H CB 0.689 30.644 29.762 0.321 0.000 1.696 548 H HN 0.228 nan 8.280 nan 0.000 0.574 549 L N 1.552 122.934 121.223 0.264 0.000 2.490 549 L HA 0.282 4.623 4.340 0.001 0.000 0.274 549 L C 0.566 177.587 176.870 0.252 0.000 1.201 549 L CA 0.795 55.742 54.840 0.178 0.000 0.869 549 L CB 0.463 42.589 42.059 0.112 0.000 1.123 549 L HN 0.268 nan 8.230 nan 0.000 0.484 550 G N 1.428 110.381 108.800 0.255 0.000 2.682 550 G HA2 0.534 4.494 3.960 0.001 0.000 0.290 550 G HA3 0.534 4.494 3.960 0.001 0.000 0.290 550 G C 0.175 175.193 174.900 0.198 0.000 1.425 550 G CA -0.244 45.015 45.100 0.266 0.000 0.807 550 G HN 1.343 nan 8.290 nan 0.000 0.482 551 G N -1.401 107.480 108.800 0.136 0.000 2.179 551 G HA2 -0.209 3.751 3.960 0.001 0.000 0.260 551 G HA3 -0.209 3.751 3.960 0.001 0.000 0.260 551 G C 1.413 176.383 174.900 0.117 0.000 0.977 551 G CA 1.630 46.813 45.100 0.139 0.000 0.641 551 G HN 1.993 nan 8.290 nan 0.000 0.533 552 T N -1.793 112.787 114.554 0.043 0.000 2.904 552 T HA 0.079 4.430 4.350 0.001 0.000 0.267 552 T C 1.195 175.977 174.700 0.137 0.000 1.059 552 T CA 1.859 64.021 62.100 0.104 0.000 1.137 552 T CB -0.303 68.636 68.868 0.118 0.000 0.879 552 T HN 1.344 nan 8.240 nan 0.000 0.467 553 H N 0.500 119.646 119.070 0.126 0.000 2.439 553 H HA 0.527 5.084 4.556 0.001 0.000 0.230 553 H C 0.225 175.598 175.328 0.074 0.000 1.420 553 H CA -1.305 54.792 56.048 0.081 0.000 1.305 553 H CB -0.139 29.636 29.762 0.021 0.000 1.667 553 H HN 0.379 nan 8.280 nan 0.000 0.515 554 R N 0.745 121.322 120.500 0.128 0.000 2.726 554 R HA 0.294 4.634 4.340 0.001 0.000 0.272 554 R C -0.514 175.843 176.300 0.095 0.000 1.097 554 R CA -0.675 55.475 56.100 0.084 0.000 1.198 554 R CB 0.775 31.115 30.300 0.067 0.000 1.114 554 R HN 0.472 nan 8.270 nan 0.000 0.550 555 M N 0.291 119.923 119.600 0.055 0.000 2.472 555 M HA 0.519 5.000 4.480 0.001 0.000 0.331 555 M C -0.764 175.534 176.300 -0.003 0.000 1.170 555 M CA -0.235 55.083 55.300 0.029 0.000 1.009 555 M CB 2.201 34.791 32.600 -0.016 0.000 1.672 555 M HN 0.946 nan 8.290 nan 0.000 0.453 556 G N 1.674 110.490 108.800 0.027 0.000 2.600 556 G HA2 0.450 4.410 3.960 0.001 0.000 0.293 556 G HA3 0.450 4.410 3.960 0.001 0.000 0.293 556 G C -1.005 173.891 174.900 -0.007 0.000 1.408 556 G CA -0.583 44.481 45.100 -0.060 0.000 0.782 556 G HN 0.645 nan 8.290 nan 0.000 0.482 557 F N -0.033 120.014 119.950 0.163 0.000 2.219 557 F HA 0.270 4.798 4.527 0.001 0.000 0.294 557 F C 1.112 177.002 175.800 0.151 0.000 1.086 557 F CA 0.911 59.004 58.000 0.155 0.000 1.330 557 F CB 0.298 39.349 39.000 0.085 0.000 1.047 557 F HN 0.402 nan 8.300 nan 0.000 0.495 558 D N -0.879 119.628 120.400 0.178 0.000 2.505 558 D HA 0.142 4.782 4.640 0.001 0.000 0.249 558 D C 0.790 176.860 176.300 -0.383 0.000 1.082 558 D CA -0.247 53.690 54.000 -0.105 0.000 0.839 558 D CB 1.485 42.269 40.800 -0.027 0.000 1.317 558 D HN 0.113 nan 8.370 nan 0.000 0.497 559 E N 3.204 122.830 120.200 -0.956 0.000 2.049 559 E HA -0.276 4.075 4.350 0.001 0.000 0.198 559 E C 1.329 177.730 176.600 -0.331 0.000 1.007 559 E CA 1.271 57.133 56.400 -0.896 0.000 0.809 559 E CB 0.232 29.353 29.700 -0.965 0.000 0.749 559 E HN 0.445 nan 8.360 nan 0.000 0.450 560 K N 0.062 120.315 120.400 -0.245 0.000 1.980 560 K HA -0.163 4.157 4.320 0.001 0.000 0.208 560 K C 2.132 178.689 176.600 -0.073 0.000 1.043 560 K CA 1.666 57.884 56.287 -0.114 0.000 0.938 560 K CB -0.013 32.436 32.500 -0.085 0.000 0.724 560 K HN 0.027 nan 8.250 nan 0.000 0.438 561 E N 0.803 120.965 120.200 -0.063 0.000 2.110 561 E HA -0.142 4.208 4.350 0.001 0.000 0.193 561 E C 1.156 177.742 176.600 -0.024 0.000 0.988 561 E CA 1.422 57.808 56.400 -0.023 0.000 0.804 561 E CB 0.077 29.777 29.700 0.000 0.000 0.745 561 E HN 0.345 nan 8.360 nan 0.000 0.458 562 D N 0.404 120.778 120.400 -0.042 0.000 2.328 562 D HA 0.016 4.657 4.640 0.001 0.000 0.226 562 D C -0.645 175.576 176.300 -0.131 0.000 1.066 562 D CA 0.060 54.029 54.000 -0.053 0.000 0.861 562 D CB -0.260 40.533 40.800 -0.011 0.000 0.912 562 D HN 0.113 nan 8.370 nan 0.000 0.521 563 N N 0.582 119.200 118.700 -0.137 0.000 2.629 563 N HA -0.202 4.538 4.740 0.001 0.000 0.278 563 N C -0.397 174.998 175.510 -0.192 0.000 1.102 563 N CA 0.654 53.595 53.050 -0.182 0.000 0.759 563 N CB -1.457 36.815 38.487 -0.358 0.000 0.911 563 N HN 0.393 nan 8.380 nan 0.000 0.553 564 C N -2.802 116.475 119.300 -0.037 0.000 3.332 564 C HA 0.764 5.225 4.460 0.001 0.000 0.329 564 C C 1.115 176.276 174.990 0.285 0.000 1.434 564 C CA -0.706 58.372 59.018 0.099 0.000 1.314 564 C CB 1.434 29.263 27.740 0.149 0.000 1.664 564 C HN 0.583 nan 8.230 nan 0.000 0.457 565 C N 0.447 119.951 119.300 0.340 0.000 3.545 565 C HA 0.512 4.972 4.460 0.001 0.000 0.368 565 C C 0.627 175.706 174.990 0.148 0.000 1.400 565 C CA 0.414 59.639 59.018 0.344 0.000 1.848 565 C CB -0.888 26.964 27.740 0.187 0.000 2.576 565 C HN 0.988 nan 8.230 nan 0.000 0.683 566 V N 0.808 120.719 119.914 -0.004 0.000 3.001 566 V HA 0.681 4.802 4.120 0.001 0.000 0.314 566 V C -0.825 174.930 176.094 -0.564 0.000 1.099 566 V CA -0.594 61.461 62.300 -0.409 0.000 0.989 566 V CB 1.632 33.356 31.823 -0.164 0.000 1.040 566 V HN 0.374 nan 8.190 nan 0.000 0.434 567 N N 0.548 118.806 118.700 -0.736 0.000 2.448 567 N HA 0.218 4.959 4.740 0.001 0.000 0.274 567 N C 0.950 176.357 175.510 -0.172 0.000 1.239 567 N CA 0.236 53.064 53.050 -0.370 0.000 0.982 567 N CB 1.044 39.313 38.487 -0.362 0.000 1.199 567 N HN 0.978 nan 8.380 nan 0.000 0.576 568 T N -4.045 110.454 114.554 -0.092 0.000 3.163 568 T HA 0.014 4.365 4.350 0.001 0.000 0.260 568 T C 0.193 174.838 174.700 -0.092 0.000 1.156 568 T CA 0.529 62.570 62.100 -0.099 0.000 1.072 568 T CB -0.333 68.505 68.868 -0.051 0.000 0.937 568 T HN 0.429 nan 8.240 nan 0.000 0.528 569 D N 1.039 121.379 120.400 -0.100 0.000 2.339 569 D HA 0.164 4.805 4.640 0.001 0.000 0.217 569 D C 0.756 177.065 176.300 0.015 0.000 1.050 569 D CA 0.160 54.110 54.000 -0.082 0.000 0.856 569 D CB 0.067 40.719 40.800 -0.247 0.000 0.922 569 D HN 0.347 nan 8.370 nan 0.000 0.518 570 S N 0.082 115.772 115.700 -0.017 0.000 3.270 570 S HA -0.269 4.201 4.470 0.001 0.000 0.293 570 S C 0.621 175.270 174.600 0.082 0.000 1.278 570 S CA 0.621 58.855 58.200 0.057 0.000 1.038 570 S CB -1.217 62.080 63.200 0.162 0.000 1.218 570 S HN 0.478 nan 8.310 nan 0.000 0.659 571 R N 1.050 121.510 120.500 -0.067 0.000 2.441 571 R HA 0.454 4.795 4.340 0.001 0.000 0.284 571 R C -0.029 176.005 176.300 -0.444 0.000 1.070 571 R CA -0.367 55.508 56.100 -0.374 0.000 1.047 571 R CB 0.614 30.638 30.300 -0.459 0.000 1.016 571 R HN 0.118 nan 8.270 nan 0.000 0.477 572 V N 5.752 125.431 119.914 -0.392 0.000 2.572 572 V HA 0.038 4.158 4.120 0.001 0.000 0.291 572 V C 0.085 176.102 176.094 -0.128 0.000 1.039 572 V CA 0.143 62.282 62.300 -0.267 0.000 1.055 572 V CB 0.012 31.685 31.823 -0.250 0.000 0.969 572 V HN 0.555 nan 8.190 nan 0.000 0.482 573 F N 3.586 123.584 119.950 0.080 0.000 2.607 573 F HA 0.398 4.925 4.527 0.000 0.000 0.374 573 F C 1.632 177.536 175.800 0.174 0.000 1.104 573 F CA 1.526 59.586 58.000 0.100 0.000 1.296 573 F CB -0.034 39.016 39.000 0.083 0.000 1.085 573 F HN 0.786 nan 8.300 nan 0.000 0.584 574 G N 2.041 110.995 108.800 0.258 0.000 2.347 574 G HA2 -0.326 3.634 3.960 0.001 0.000 0.247 574 G HA3 -0.326 3.634 3.960 0.001 0.000 0.247 574 G C 0.031 174.909 174.900 -0.035 0.000 1.037 574 G CA -0.326 44.834 45.100 0.101 0.000 0.622 574 G HN 0.443 nan 8.290 nan 0.000 0.521 575 F N 1.352 121.318 119.950 0.027 0.000 2.408 575 F HA 0.585 5.113 4.527 0.001 0.000 0.344 575 F C 1.515 177.300 175.800 -0.025 0.000 1.112 575 F CA -0.402 57.603 58.000 0.008 0.000 1.096 575 F CB 1.634 40.634 39.000 -0.000 0.000 1.129 575 F HN -0.080 nan 8.300 nan 0.000 0.486 576 K N 1.397 121.897 120.400 0.167 0.000 2.217 576 K HA -0.059 4.261 4.320 0.001 0.000 0.202 576 K C 0.576 177.371 176.600 0.324 0.000 1.051 576 K CA 1.041 57.470 56.287 0.237 0.000 0.952 576 K CB 0.026 32.684 32.500 0.262 0.000 0.736 576 K HN 0.562 nan 8.250 nan 0.000 0.453 577 N N 0.294 119.113 118.700 0.199 0.000 2.536 577 N HA 0.061 4.802 4.740 0.001 0.000 0.286 577 N C -1.135 174.383 175.510 0.012 0.000 1.577 577 N CA -0.315 52.815 53.050 0.132 0.000 0.883 577 N CB 0.215 38.811 38.487 0.181 0.000 1.390 577 N HN -0.045 nan 8.380 nan 0.000 0.491 578 L N 0.536 121.548 121.223 -0.352 0.000 2.446 578 L HA 0.660 5.000 4.340 0.001 0.000 0.268 578 L C -1.899 174.551 176.870 -0.700 0.000 0.975 578 L CA -0.452 54.198 54.840 -0.317 0.000 0.848 578 L CB 0.975 42.877 42.059 -0.261 0.000 1.225 578 L HN -0.025 nan 8.230 nan 0.000 0.410 579 F N 4.760 124.639 119.950 -0.118 0.000 2.522 579 F HA 0.688 5.215 4.527 0.000 0.000 0.324 579 F C -0.442 175.222 175.800 -0.227 0.000 1.077 579 F CA -0.765 57.152 58.000 -0.138 0.000 0.944 579 F CB 1.766 40.727 39.000 -0.064 0.000 1.175 579 F HN 0.166 nan 8.300 nan 0.000 0.468 580 L N 1.857 123.061 121.223 -0.033 0.000 2.341 580 L HA 0.825 5.166 4.340 0.001 0.000 0.278 580 L C 0.102 177.020 176.870 0.079 0.000 1.005 580 L CA -0.823 53.935 54.840 -0.136 0.000 0.818 580 L CB 1.666 43.493 42.059 -0.386 0.000 1.259 580 L HN 0.768 nan 8.230 nan 0.000 0.418 581 G N 0.442 109.304 108.800 0.103 0.000 2.432 581 G HA2 0.779 4.739 3.960 0.001 0.000 0.331 581 G HA3 0.779 4.739 3.960 0.001 0.000 0.331 581 G C -0.265 174.778 174.900 0.237 0.000 1.170 581 G CA -0.215 45.058 45.100 0.287 0.000 0.943 581 G HN 0.989 nan 8.290 nan 0.000 0.483 582 G N -1.195 107.723 108.800 0.197 0.000 2.384 582 G HA2 -0.027 3.933 3.960 0.001 0.000 0.668 582 G HA3 -0.027 3.933 3.960 0.001 0.000 0.668 582 G C 0.804 175.759 174.900 0.093 0.000 1.280 582 G CA -0.002 45.187 45.100 0.149 0.000 0.992 582 G HN 1.177 nan 8.290 nan 0.000 0.512 583 C N 0.843 120.179 119.300 0.060 0.000 2.432 583 C HA 0.241 4.701 4.460 0.001 0.000 0.282 583 C C 3.103 178.070 174.990 -0.037 0.000 1.388 583 C CA 1.670 60.701 59.018 0.021 0.000 1.777 583 C CB -1.391 26.406 27.740 0.095 0.000 1.882 583 C HN 1.382 nan 8.230 nan 0.000 0.520 584 G N 1.605 110.284 108.800 -0.200 0.000 2.507 584 G HA2 -0.284 3.677 3.960 0.001 0.000 0.221 584 G HA3 -0.284 3.677 3.960 0.001 0.000 0.221 584 G C 1.438 176.023 174.900 -0.525 0.000 1.119 584 G CA 1.176 45.841 45.100 -0.724 0.000 0.751 584 G HN 0.555 nan 8.290 nan 0.000 0.574 585 N N 0.432 119.026 118.700 -0.176 0.000 2.188 585 N HA -0.011 4.730 4.740 0.001 0.000 0.184 585 N C 0.979 176.499 175.510 0.018 0.000 1.018 585 N CA 0.242 53.303 53.050 0.020 0.000 0.858 585 N CB -0.153 38.389 38.487 0.091 0.000 0.989 585 N HN 0.305 nan 8.380 nan 0.000 0.426 586 I N 2.990 123.567 120.570 0.012 0.000 2.578 586 I HA -0.003 4.167 4.170 0.001 0.000 0.286 586 I C -1.321 174.886 176.117 0.150 0.000 1.126 586 I CA -0.916 60.413 61.300 0.049 0.000 1.380 586 I CB 1.001 38.968 38.000 -0.055 0.000 1.408 586 I HN 0.032 nan 8.210 nan 0.000 0.532 587 P HA 0.022 nan 4.420 nan 0.000 0.245 587 P C 0.405 177.800 177.300 0.159 0.000 1.203 587 P CA 0.386 63.557 63.100 0.117 0.000 0.792 587 P CB 0.009 31.735 31.700 0.043 0.000 0.997 588 T N -2.564 112.118 114.554 0.214 0.000 2.884 588 T HA 0.682 5.033 4.350 0.001 0.000 0.277 588 T C 0.088 174.921 174.700 0.223 0.000 0.976 588 T CA -0.910 61.302 62.100 0.187 0.000 0.956 588 T CB 0.884 69.851 68.868 0.165 0.000 1.113 588 T HN 0.029 nan 8.240 nan 0.000 0.554 589 A N 1.610 124.505 122.820 0.125 0.000 2.269 589 A HA 0.615 4.935 4.320 0.001 0.000 0.302 589 A C -0.718 176.853 177.584 -0.022 0.000 1.266 589 A CA -0.893 51.174 52.037 0.051 0.000 0.894 589 A CB -0.831 18.206 19.000 0.062 0.000 1.147 589 A HN 0.869 nan 8.150 nan 0.000 0.537 590 Y N -0.052 120.172 120.300 -0.127 0.000 2.462 590 Y HA 0.707 5.258 4.550 0.001 0.000 0.346 590 Y C 0.741 176.494 175.900 -0.244 0.000 0.976 590 Y CA -0.738 57.103 58.100 -0.432 0.000 1.044 590 Y CB 1.419 39.470 38.460 -0.682 0.000 1.230 590 Y HN 0.398 nan 8.280 nan 0.000 0.455 591 G N 0.928 109.596 108.800 -0.220 0.000 2.608 591 G HA2 0.365 4.326 3.960 0.001 0.000 0.210 591 G HA3 0.365 4.326 3.960 0.001 0.000 0.210 591 G C 0.532 175.467 174.900 0.057 0.000 1.139 591 G CA 0.242 45.408 45.100 0.110 0.000 0.812 591 G HN 0.956 nan 8.290 nan 0.000 0.529 592 A N 0.696 123.320 122.820 -0.328 0.000 2.310 592 A HA 0.491 4.812 4.320 0.001 0.000 0.260 592 A C -0.145 177.227 177.584 -0.353 0.000 1.112 592 A CA -0.477 51.212 52.037 -0.581 0.000 0.804 592 A CB 0.035 18.613 19.000 -0.704 0.000 1.081 592 A HN 0.343 nan 8.150 nan 0.000 0.499 593 N N 1.381 119.815 118.700 -0.443 0.000 2.420 593 N HA 0.273 5.013 4.740 0.001 0.000 0.262 593 N C -2.099 173.353 175.510 -0.097 0.000 1.144 593 N CA -1.197 51.615 53.050 -0.396 0.000 0.952 593 N CB 0.533 38.876 38.487 -0.240 0.000 1.081 593 N HN 0.366 nan 8.380 nan 0.000 0.480 594 P HA -0.106 nan 4.420 nan 0.000 0.221 594 P C 0.688 177.935 177.300 -0.089 0.000 1.150 594 P CA 1.021 64.059 63.100 -0.104 0.000 0.800 594 P CB 0.180 31.792 31.700 -0.147 0.000 0.787 595 T N 1.232 115.811 114.554 0.041 0.000 2.653 595 T HA -0.189 4.161 4.350 0.001 0.000 0.268 595 T C 1.740 176.545 174.700 0.174 0.000 1.035 595 T CA 1.362 63.540 62.100 0.130 0.000 1.154 595 T CB -0.943 68.058 68.868 0.221 0.000 0.862 595 T HN 0.071 nan 8.240 nan 0.000 0.441 596 L N 0.712 122.043 121.223 0.181 0.000 2.465 596 L HA 0.032 4.372 4.340 0.001 0.000 0.224 596 L C 2.145 179.141 176.870 0.210 0.000 1.145 596 L CA 1.277 56.282 54.840 0.276 0.000 0.834 596 L CB -0.468 41.731 42.059 0.233 0.000 0.944 596 L HN 0.167 nan 8.230 nan 0.000 0.451 597 T N -1.147 113.392 114.554 -0.024 0.000 3.031 597 T HA 0.138 4.489 4.350 0.001 0.000 0.254 597 T C 1.888 176.516 174.700 -0.121 0.000 1.060 597 T CA 0.715 62.705 62.100 -0.183 0.000 1.135 597 T CB -0.027 68.310 68.868 -0.885 0.000 0.896 597 T HN 0.427 nan 8.240 nan 0.000 0.472 598 A N 2.088 124.849 122.820 -0.098 0.000 1.877 598 A HA -0.050 4.271 4.320 0.001 0.000 0.216 598 A C 2.308 179.876 177.584 -0.026 0.000 1.186 598 A CA 1.768 53.781 52.037 -0.040 0.000 0.620 598 A CB -0.767 18.234 19.000 0.001 0.000 0.822 598 A HN 0.496 nan 8.150 nan 0.000 0.443 599 M N -0.167 119.440 119.600 0.012 0.000 2.108 599 M HA -0.177 4.303 4.480 0.001 0.000 0.261 599 M C 2.151 178.395 176.300 -0.092 0.000 1.066 599 M CA 2.275 57.562 55.300 -0.023 0.000 1.107 599 M CB -0.241 32.387 32.600 0.047 0.000 1.356 599 M HN 0.358 nan 8.290 nan 0.000 0.406 600 S N 1.131 116.781 115.700 -0.084 0.000 2.365 600 S HA -0.177 4.293 4.470 0.001 0.000 0.225 600 S C 1.740 176.165 174.600 -0.291 0.000 1.039 600 S CA 1.764 59.839 58.200 -0.208 0.000 1.033 600 S CB -0.601 62.431 63.200 -0.280 0.000 0.887 600 S HN 0.548 nan 8.310 nan 0.000 0.447 601 L N 0.837 121.922 121.223 -0.229 0.000 2.093 601 L HA -0.079 4.261 4.340 0.001 0.000 0.208 601 L C 2.746 179.483 176.870 -0.222 0.000 1.085 601 L CA 0.966 55.667 54.840 -0.232 0.000 0.755 601 L CB -0.713 41.277 42.059 -0.116 0.000 0.904 601 L HN 0.310 nan 8.230 nan 0.000 0.435 602 A N 0.789 123.471 122.820 -0.231 0.000 1.858 602 A HA -0.206 4.115 4.320 0.001 0.000 0.216 602 A C 2.220 179.475 177.584 -0.548 0.000 1.190 602 A CA 1.663 53.434 52.037 -0.445 0.000 0.617 602 A CB -0.742 18.001 19.000 -0.428 0.000 0.827 602 A HN 0.311 nan 8.150 nan 0.000 0.443 603 I N -0.410 119.942 120.570 -0.364 0.000 2.194 603 I HA -0.335 3.835 4.170 0.001 0.000 0.246 603 I C 2.558 178.514 176.117 -0.268 0.000 1.093 603 I CA 2.099 63.230 61.300 -0.282 0.000 1.355 603 I CB -0.251 37.619 38.000 -0.216 0.000 1.046 603 I HN 0.407 nan 8.210 nan 0.000 0.413 604 K N 0.401 120.635 120.400 -0.275 0.000 2.063 604 K HA -0.223 4.097 4.320 0.001 0.000 0.208 604 K C 2.361 178.862 176.600 -0.164 0.000 1.048 604 K CA 1.839 57.989 56.287 -0.229 0.000 0.928 604 K CB -0.153 32.183 32.500 -0.274 0.000 0.713 604 K HN 0.143 nan 8.250 nan 0.000 0.442 605 S N -0.084 115.502 115.700 -0.190 0.000 2.356 605 S HA -0.183 4.288 4.470 0.001 0.000 0.223 605 S C 2.090 176.568 174.600 -0.203 0.000 1.032 605 S CA 1.454 59.573 58.200 -0.135 0.000 1.005 605 S CB -0.618 62.545 63.200 -0.061 0.000 0.867 605 S HN 0.580 nan 8.310 nan 0.000 0.449 606 C N 1.597 120.707 119.300 -0.316 0.000 2.385 606 C HA -0.136 4.324 4.460 0.001 0.000 0.275 606 C C 2.539 177.439 174.990 -0.150 0.000 1.199 606 C CA 1.402 60.260 59.018 -0.267 0.000 1.782 606 C CB -1.606 25.948 27.740 -0.310 0.000 2.068 606 C HN 0.698 nan 8.230 nan 0.000 0.471 607 E N -1.260 118.876 120.200 -0.108 0.000 2.077 607 E HA -0.242 4.109 4.350 0.001 0.000 0.193 607 E C 1.862 178.462 176.600 0.000 0.000 0.989 607 E CA 1.425 57.795 56.400 -0.049 0.000 0.800 607 E CB -0.358 29.309 29.700 -0.055 0.000 0.746 607 E HN 0.842 nan 8.360 nan 0.000 0.452 608 Y N 1.440 121.694 120.300 -0.077 0.000 2.114 608 Y HA -0.277 4.274 4.550 0.001 0.000 0.282 608 Y C 2.044 177.956 175.900 0.020 0.000 1.165 608 Y CA 1.621 59.714 58.100 -0.012 0.000 1.148 608 Y CB -0.087 38.396 38.460 0.039 0.000 0.972 608 Y HN -0.043 nan 8.280 nan 0.000 0.504 609 I N 0.198 120.770 120.570 0.003 0.000 2.163 609 I HA -0.351 3.819 4.170 0.001 0.000 0.243 609 I C 2.338 178.507 176.117 0.087 0.000 1.085 609 I CA 1.743 63.071 61.300 0.047 0.000 1.347 609 I CB -0.416 37.444 38.000 -0.233 0.000 1.044 609 I HN 0.193 nan 8.210 nan 0.000 0.408 610 K N 0.356 120.770 120.400 0.024 0.000 2.147 610 K HA -0.207 4.113 4.320 0.001 0.000 0.205 610 K C 1.966 178.589 176.600 0.037 0.000 1.049 610 K CA 1.254 57.613 56.287 0.121 0.000 0.936 610 K CB -0.110 32.443 32.500 0.088 0.000 0.722 610 K HN 0.415 nan 8.250 nan 0.000 0.446 611 Q N -0.188 119.561 119.800 -0.086 0.000 2.472 611 Q HA 0.026 4.367 4.340 0.001 0.000 0.208 611 Q C 0.641 176.484 176.000 -0.261 0.000 0.958 611 Q CA 0.541 56.249 55.803 -0.157 0.000 0.932 611 Q CB 0.390 29.012 28.738 -0.193 0.000 1.007 611 Q HN 0.253 nan 8.270 nan 0.000 0.508 612 N N -1.255 117.248 118.700 -0.330 0.000 2.036 612 N HA 0.127 4.867 4.740 0.001 0.000 0.228 612 N C -1.134 173.931 175.510 -0.742 0.000 1.368 612 N CA 0.210 52.905 53.050 -0.593 0.000 0.846 612 N CB 1.132 39.038 38.487 -0.969 0.000 1.145 612 N HN -0.009 nan 8.380 nan 0.000 0.502 613 F N 0.898 120.869 119.950 0.036 0.000 2.562 613 F HA 0.313 4.840 4.527 0.001 0.000 0.319 613 F C 0.164 176.068 175.800 0.173 0.000 1.154 613 F CA -0.650 57.426 58.000 0.127 0.000 0.931 613 F CB 1.593 40.697 39.000 0.174 0.000 1.198 613 F HN -0.375 nan 8.300 nan 0.000 0.444 614 T N 5.392 120.077 114.554 0.218 0.000 2.851 614 T HA 0.228 4.578 4.350 0.001 0.000 0.298 614 T C -2.321 172.350 174.700 -0.048 0.000 0.977 614 T CA -0.985 61.144 62.100 0.049 0.000 1.126 614 T CB 0.425 69.303 68.868 0.016 0.000 0.916 614 T HN 0.188 nan 8.240 nan 0.000 0.529 615 P HA 0.087 nan 4.420 nan 0.000 0.266 615 P C 0.146 177.358 177.300 -0.146 0.000 1.195 615 P CA -0.386 62.434 63.100 -0.466 0.000 0.768 615 P CB 0.349 31.621 31.700 -0.712 0.000 0.838 616 S N 3.593 119.262 115.700 -0.051 0.000 2.569 616 S HA 0.222 4.692 4.470 0.001 0.000 0.274 616 S C -1.942 172.653 174.600 -0.008 0.000 1.353 616 S CA -0.836 57.358 58.200 -0.011 0.000 1.023 616 S CB -1.034 62.170 63.200 0.006 0.000 0.876 616 S HN 0.410 nan 8.310 nan 0.000 0.540 617 P HA 0.312 nan 4.420 nan 0.000 0.285 617 P C -0.746 176.643 177.300 0.149 0.000 1.259 617 P CA -0.590 62.547 63.100 0.061 0.000 0.794 617 P CB 0.482 32.207 31.700 0.042 0.000 0.940 618 F N 0.000 119.935 119.950 -0.025 0.000 2.286 618 F HA 0.000 4.528 4.527 0.001 0.000 0.279 618 F CA 0.000 57.991 58.000 -0.015 0.000 1.383 618 F CB 0.000 38.993 39.000 -0.011 0.000 1.145 618 F HN 0.000 nan 8.300 nan 0.000 0.574