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 1ndb_1_B DATA FIRST_RESID 30 DATA SEQUENCE AHQDALPRLP VPPLQQSLDY YLKALQPIVS EEEWAHTKQL VDEFQTSGGV DATA SEQUENCE GERLQKGLER RAKKXENWLS EWWLKTAYLQ FRQPVVIYSS PGVILPKQDF DATA SEQUENCE VDLQGQLRFA AKLIEGVLDF KSXIDNETLP VEFLGGQPLC XNQYYQILSS DATA SEQUENCE CRVPGPKQDS VVNFLKSKRP PTHITVVHNY QFFELDVYHS DGTPLTSDQI DATA SEQUENCE FVQLEKIWNS SLQSNKEPVG ILTSNHRNTW AKAYNNLIKD KVNRESVNSI DATA SEQUENCE QKSIFTVCLD KQVPRVSDDV YRNHVAGQXL HGGGSKFNSG NRWFDKTLQF DATA SEQUENCE IVAEDGSCGX VYEHAAAEGP PIVALVDHVX EYTKKPELVR SPXVPLPXPK DATA SEQUENCE KLRFNITPEI KNDIEKAKQN LSIXIQDLDI XXLTFHHFGK DFPKSEKLSP DATA SEQUENCE DAFIQVALQL AYYRIYGQAC ATYESASLRX FHLGRTDTIR SASIDSLAFV DATA SEQUENCE KGXGDSTVPE QQKVELLRKA VQAHRAYTDR AIRGEAFDRH LLGLKLQAIE DATA SEQUENCE DLVSXPDIFX DTSYAIAXHF NLSTSQVPAK TDCVXFFGPV VPDGYGICYN DATA SEQUENCE PXEAHINFSV SAYNSCAETN AARXAHYLEK ALLDXRTLLQ NHPRAK 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 30 A HA 0.000 nan 4.320 nan 0.000 0.244 30 A C 0.000 177.607 177.584 0.039 0.000 1.274 30 A CA 0.000 52.044 52.037 0.012 0.000 0.836 30 A CB 0.000 19.009 19.000 0.014 0.000 0.831 31 H N 0.905 119.958 119.070 -0.028 0.000 2.457 31 H HA 0.035 4.592 4.556 0.001 0.000 0.294 31 H C 1.884 177.202 175.328 -0.018 0.000 1.064 31 H CA 2.485 58.525 56.048 -0.014 0.000 1.330 31 H CB 0.157 29.910 29.762 -0.015 0.000 1.395 31 H HN 0.600 nan 8.280 nan 0.000 0.541 32 Q N -0.143 119.609 119.800 -0.081 0.000 2.123 32 Q HA -0.113 4.227 4.340 0.001 0.000 0.199 32 Q C 1.555 177.380 176.000 -0.291 0.000 0.966 32 Q CA 1.210 56.933 55.803 -0.133 0.000 0.845 32 Q CB 0.212 28.952 28.738 0.003 0.000 0.907 32 Q HN 0.623 nan 8.270 nan 0.000 0.439 33 D N 0.999 121.266 120.400 -0.222 0.000 2.149 33 D HA -0.148 4.493 4.640 0.001 0.000 0.198 33 D C 1.762 177.959 176.300 -0.171 0.000 0.990 33 D CA 1.356 55.228 54.000 -0.214 0.000 0.839 33 D CB 0.008 40.736 40.800 -0.119 0.000 0.948 33 D HN 0.251 nan 8.370 nan 0.000 0.460 34 A N 0.921 123.653 122.820 -0.147 0.000 1.968 34 A HA -0.018 4.302 4.320 0.001 0.000 0.217 34 A C 1.416 178.931 177.584 -0.115 0.000 1.169 34 A CA 0.199 52.172 52.037 -0.108 0.000 0.638 34 A CB -0.499 18.456 19.000 -0.075 0.000 0.812 34 A HN 0.157 nan 8.150 nan 0.000 0.446 35 L N 0.856 121.974 121.223 -0.176 0.000 2.514 35 L HA 0.120 4.461 4.340 0.001 0.000 0.280 35 L C -2.151 174.722 176.870 0.005 0.000 1.223 35 L CA -1.534 53.244 54.840 -0.103 0.000 0.864 35 L CB -0.022 41.983 42.059 -0.090 0.000 1.118 35 L HN 0.112 nan 8.230 nan 0.000 0.494 36 P HA 0.168 nan 4.420 nan 0.000 0.272 36 P C -0.792 176.702 177.300 0.324 0.000 1.223 36 P CA -0.445 62.770 63.100 0.192 0.000 0.784 36 P CB 0.579 32.432 31.700 0.254 0.000 0.923 37 R N 1.168 121.819 120.500 0.252 0.000 2.457 37 R HA 0.383 4.724 4.340 0.001 0.000 0.284 37 R C -0.474 175.879 176.300 0.088 0.000 1.024 37 R CA -1.102 55.121 56.100 0.205 0.000 1.025 37 R CB -0.333 30.044 30.300 0.128 0.000 1.063 37 R HN 0.389 nan 8.270 nan 0.000 0.493 38 L N 5.613 126.811 121.223 -0.041 0.000 2.584 38 L HA 0.131 4.472 4.340 0.001 0.000 0.272 38 L C -1.941 174.830 176.870 -0.165 0.000 1.195 38 L CA -0.490 54.109 54.840 -0.401 0.000 0.920 38 L CB 0.074 41.935 42.059 -0.329 0.000 1.173 38 L HN 0.562 nan 8.230 nan 0.000 0.489 39 P HA 0.148 nan 4.420 nan 0.000 0.278 39 P C -1.261 176.065 177.300 0.044 0.000 1.258 39 P CA -0.428 62.605 63.100 -0.111 0.000 0.811 39 P CB 1.313 32.907 31.700 -0.177 0.000 1.063 40 V N 3.107 122.945 119.914 -0.128 0.000 2.328 40 V HA 0.248 4.369 4.120 0.001 0.000 0.278 40 V C -2.016 173.876 176.094 -0.338 0.000 1.021 40 V CA -1.752 60.328 62.300 -0.367 0.000 0.838 40 V CB 0.679 32.179 31.823 -0.540 0.000 0.999 40 V HN 0.558 nan 8.190 nan 0.000 0.447 41 P HA 0.198 nan 4.420 nan 0.000 0.268 41 P C -2.654 174.555 177.300 -0.152 0.000 1.208 41 P CA -1.045 61.924 63.100 -0.219 0.000 0.777 41 P CB -0.084 31.576 31.700 -0.067 0.000 0.875 42 P HA 0.016 nan 4.420 nan 0.000 0.271 42 P C 0.766 178.163 177.300 0.160 0.000 1.216 42 P CA -0.178 62.949 63.100 0.045 0.000 0.776 42 P CB 0.377 32.089 31.700 0.020 0.000 0.881 43 L N 3.839 125.153 121.223 0.153 0.000 1.990 43 L HA -0.245 4.096 4.340 0.001 0.000 0.213 43 L C 2.304 179.212 176.870 0.065 0.000 1.072 43 L CA 2.023 56.950 54.840 0.145 0.000 0.755 43 L CB -1.149 40.925 42.059 0.026 0.000 0.889 43 L HN 0.439 nan 8.230 nan 0.000 0.432 44 Q N -1.136 118.671 119.800 0.011 0.000 2.096 44 Q HA -0.301 4.040 4.340 0.001 0.000 0.204 44 Q C 2.299 178.257 176.000 -0.070 0.000 0.982 44 Q CA 2.131 57.915 55.803 -0.031 0.000 0.850 44 Q CB -0.223 28.489 28.738 -0.044 0.000 0.901 44 Q HN 0.735 nan 8.270 nan 0.000 0.422 45 Q N -0.435 119.327 119.800 -0.063 0.000 2.030 45 Q HA -0.172 4.169 4.340 0.001 0.000 0.204 45 Q C 2.101 177.991 176.000 -0.182 0.000 0.986 45 Q CA 1.973 57.668 55.803 -0.180 0.000 0.843 45 Q CB -0.123 28.587 28.738 -0.047 0.000 0.904 45 Q HN 0.302 nan 8.270 nan 0.000 0.420 46 S N 0.718 116.483 115.700 0.109 0.000 2.368 46 S HA -0.095 4.376 4.470 0.001 0.000 0.225 46 S C 1.910 176.529 174.600 0.030 0.000 1.030 46 S CA 1.113 59.464 58.200 0.253 0.000 0.999 46 S CB -0.211 63.247 63.200 0.430 0.000 0.844 46 S HN 0.361 nan 8.310 nan 0.000 0.459 47 L N 1.003 122.216 121.223 -0.017 0.000 2.141 47 L HA -0.124 4.217 4.340 0.001 0.000 0.209 47 L C 2.319 179.160 176.870 -0.048 0.000 1.094 47 L CA 1.288 56.113 54.840 -0.024 0.000 0.763 47 L CB -0.538 41.525 42.059 0.007 0.000 0.908 47 L HN 0.291 nan 8.230 nan 0.000 0.437 48 D N -0.594 119.736 120.400 -0.117 0.000 2.097 48 D HA -0.232 4.409 4.640 0.001 0.000 0.197 48 D C 2.061 178.320 176.300 -0.068 0.000 0.984 48 D CA 1.469 55.390 54.000 -0.131 0.000 0.826 48 D CB -0.008 40.643 40.800 -0.248 0.000 0.973 48 D HN 0.182 nan 8.370 nan 0.000 0.460 49 Y N -0.645 119.632 120.300 -0.039 0.000 2.242 49 Y HA -0.102 4.449 4.550 0.001 0.000 0.291 49 Y C 2.102 177.862 175.900 -0.233 0.000 1.137 49 Y CA 0.801 58.875 58.100 -0.042 0.000 1.181 49 Y CB -1.237 37.282 38.460 0.100 0.000 0.989 49 Y HN 0.153 nan 8.280 nan 0.000 0.527 50 Y N 0.277 120.192 120.300 -0.642 0.000 2.145 50 Y HA -0.218 4.333 4.550 0.001 0.000 0.286 50 Y C 2.072 177.851 175.900 -0.200 0.000 1.145 50 Y CA 1.313 58.879 58.100 -0.889 0.000 1.148 50 Y CB -0.799 37.203 38.460 -0.763 0.000 0.981 50 Y HN 0.058 nan 8.280 nan 0.000 0.507 51 L N 0.020 121.127 121.223 -0.192 0.000 2.083 51 L HA -0.240 4.101 4.340 0.001 0.000 0.209 51 L C 2.430 179.456 176.870 0.261 0.000 1.083 51 L CA 1.712 56.513 54.840 -0.065 0.000 0.752 51 L CB -0.471 41.594 42.059 0.010 0.000 0.899 51 L HN 0.169 nan 8.230 nan 0.000 0.433 52 K N -0.141 120.371 120.400 0.187 0.000 2.103 52 K HA -0.069 4.251 4.320 0.001 0.000 0.204 52 K C 2.159 178.880 176.600 0.202 0.000 1.052 52 K CA 1.194 57.599 56.287 0.198 0.000 0.945 52 K CB -0.173 32.448 32.500 0.202 0.000 0.722 52 K HN 0.253 nan 8.250 nan 0.000 0.443 53 A N 1.030 123.998 122.820 0.246 0.000 2.066 53 A HA -0.036 4.285 4.320 0.001 0.000 0.218 53 A C 1.958 179.682 177.584 0.232 0.000 1.157 53 A CA 0.936 53.169 52.037 0.327 0.000 0.670 53 A CB -0.360 18.995 19.000 0.592 0.000 0.804 53 A HN 0.140 nan 8.150 nan 0.000 0.453 54 L N -1.230 120.081 121.223 0.145 0.000 2.270 54 L HA -0.130 4.211 4.340 0.001 0.000 0.210 54 L C 2.685 179.670 176.870 0.191 0.000 1.104 54 L CA 1.088 56.005 54.840 0.130 0.000 0.804 54 L CB -0.412 41.641 42.059 -0.010 0.000 0.937 54 L HN 0.550 nan 8.230 nan 0.000 0.450 55 Q N 0.928 120.815 119.800 0.144 0.000 2.096 55 Q HA -0.211 4.130 4.340 0.001 0.000 0.208 55 Q C -0.671 175.316 176.000 -0.021 0.000 0.993 55 Q CA 2.273 58.024 55.803 -0.087 0.000 0.862 55 Q CB -0.637 27.955 28.738 -0.243 0.000 0.915 55 Q HN 0.331 nan 8.270 nan 0.000 0.416 56 P HA -0.055 nan 4.420 nan 0.000 0.241 56 P C 0.787 178.140 177.300 0.087 0.000 1.191 56 P CA 1.005 64.138 63.100 0.056 0.000 0.771 56 P CB -0.118 31.627 31.700 0.074 0.000 0.929 57 I N -3.252 117.376 120.570 0.098 0.000 4.147 57 I HA 0.250 4.421 4.170 0.001 0.000 0.329 57 I C 0.202 176.372 176.117 0.088 0.000 1.424 57 I CA -0.635 60.723 61.300 0.098 0.000 1.127 57 I CB 0.851 38.910 38.000 0.098 0.000 1.128 57 I HN -0.305 nan 8.210 nan 0.000 0.417 58 V N -1.147 118.827 119.914 0.101 0.000 3.102 58 V HA 0.724 4.845 4.120 0.001 0.000 0.312 58 V C 0.348 176.505 176.094 0.104 0.000 1.135 58 V CA -0.275 62.087 62.300 0.103 0.000 1.022 58 V CB 1.394 33.295 31.823 0.130 0.000 1.056 58 V HN 0.309 nan 8.190 nan 0.000 0.436 59 S N 0.665 116.420 115.700 0.093 0.000 2.608 59 S HA 0.278 4.749 4.470 0.001 0.000 0.261 59 S C 0.774 175.446 174.600 0.119 0.000 1.314 59 S CA 0.472 58.721 58.200 0.082 0.000 0.992 59 S CB 0.612 63.850 63.200 0.062 0.000 0.935 59 S HN 0.873 nan 8.310 nan 0.000 0.564 60 E N 0.740 120.993 120.200 0.089 0.000 2.077 60 E HA -0.178 4.173 4.350 0.001 0.000 0.193 60 E C 1.856 178.557 176.600 0.167 0.000 0.989 60 E CA 1.615 58.080 56.400 0.109 0.000 0.800 60 E CB -0.167 29.565 29.700 0.054 0.000 0.746 60 E HN 0.725 nan 8.360 nan 0.000 0.452 61 E N 1.006 121.276 120.200 0.117 0.000 2.047 61 E HA -0.170 4.180 4.350 0.001 0.000 0.191 61 E C 1.847 178.525 176.600 0.130 0.000 0.987 61 E CA 1.110 57.575 56.400 0.108 0.000 0.799 61 E CB -0.116 29.622 29.700 0.063 0.000 0.752 61 E HN 0.297 nan 8.360 nan 0.000 0.449 62 E N -0.524 119.747 120.200 0.119 0.000 2.077 62 E HA -0.197 4.154 4.350 0.001 0.000 0.193 62 E C 1.820 178.506 176.600 0.144 0.000 0.989 62 E CA 0.934 57.399 56.400 0.108 0.000 0.800 62 E CB -0.278 29.472 29.700 0.082 0.000 0.746 62 E HN 0.333 nan 8.360 nan 0.000 0.452 63 W N 1.477 122.784 121.300 0.012 0.000 2.355 63 W HA -0.157 4.503 4.660 0.001 0.000 0.309 63 W C 2.457 178.972 176.519 -0.006 0.000 1.206 63 W CA 2.009 59.344 57.345 -0.016 0.000 1.284 63 W CB -0.258 29.186 29.460 -0.027 0.000 1.145 63 W HN 0.029 nan 8.180 nan 0.000 0.502 64 A N -0.713 122.271 122.820 0.274 0.000 1.908 64 A HA -0.323 3.998 4.320 0.001 0.000 0.218 64 A C 2.102 179.657 177.584 -0.049 0.000 1.181 64 A CA 2.031 54.148 52.037 0.133 0.000 0.627 64 A CB -1.542 17.570 19.000 0.187 0.000 0.818 64 A HN 0.620 nan 8.150 nan 0.000 0.445 65 H N -0.298 118.726 119.070 -0.076 0.000 2.357 65 H HA -0.092 4.464 4.556 0.001 0.000 0.301 65 H C 1.977 177.201 175.328 -0.175 0.000 1.082 65 H CA 1.987 57.977 56.048 -0.097 0.000 1.342 65 H CB -0.149 29.580 29.762 -0.055 0.000 1.389 65 H HN 0.427 nan 8.280 nan 0.000 0.511 66 T N 0.883 115.324 114.554 -0.189 0.000 2.788 66 T HA -0.133 4.217 4.350 0.001 0.000 0.268 66 T C 1.993 176.412 174.700 -0.468 0.000 1.044 66 T CA 1.625 63.542 62.100 -0.305 0.000 1.139 66 T CB -0.074 68.598 68.868 -0.327 0.000 0.867 66 T HN 0.194 nan 8.240 nan 0.000 0.454 67 K N 1.503 121.509 120.400 -0.656 0.000 2.063 67 K HA -0.079 4.241 4.320 0.001 0.000 0.208 67 K C 2.319 178.697 176.600 -0.369 0.000 1.048 67 K CA 1.484 57.381 56.287 -0.650 0.000 0.928 67 K CB -0.312 31.702 32.500 -0.811 0.000 0.713 67 K HN 0.388 nan 8.250 nan 0.000 0.442 68 Q N -0.108 119.492 119.800 -0.332 0.000 2.046 68 Q HA -0.099 4.242 4.340 0.001 0.000 0.200 68 Q C 2.186 178.031 176.000 -0.258 0.000 0.975 68 Q CA 1.664 57.310 55.803 -0.262 0.000 0.836 68 Q CB -0.166 28.409 28.738 -0.273 0.000 0.896 68 Q HN 0.312 nan 8.270 nan 0.000 0.428 69 L N -0.008 121.011 121.223 -0.340 0.000 2.042 69 L HA -0.197 4.144 4.340 0.001 0.000 0.210 69 L C 2.414 179.185 176.870 -0.166 0.000 1.076 69 L CA 0.862 55.544 54.840 -0.263 0.000 0.749 69 L CB -0.599 41.281 42.059 -0.297 0.000 0.893 69 L HN 0.093 nan 8.230 nan 0.000 0.432 70 V N -0.206 119.598 119.914 -0.183 0.000 2.343 70 V HA -0.287 3.834 4.120 0.001 0.000 0.247 70 V C 2.162 178.236 176.094 -0.033 0.000 1.051 70 V CA 1.869 64.114 62.300 -0.093 0.000 1.036 70 V CB -0.546 31.201 31.823 -0.127 0.000 0.654 70 V HN 0.439 nan 8.190 nan 0.000 0.451 71 D N 0.033 120.379 120.400 -0.090 0.000 2.097 71 D HA -0.170 4.471 4.640 0.001 0.000 0.195 71 D C 2.219 178.490 176.300 -0.047 0.000 0.989 71 D CA 1.445 55.404 54.000 -0.069 0.000 0.827 71 D CB -0.206 40.543 40.800 -0.085 0.000 0.966 71 D HN 0.581 nan 8.370 nan 0.000 0.456 72 E N -0.319 119.852 120.200 -0.049 0.000 2.106 72 E HA -0.147 4.204 4.350 0.001 0.000 0.192 72 E C 1.928 178.532 176.600 0.006 0.000 0.984 72 E CA 0.301 56.681 56.400 -0.033 0.000 0.806 72 E CB -0.201 29.472 29.700 -0.045 0.000 0.750 72 E HN 0.222 nan 8.360 nan 0.000 0.458 73 F N 2.469 122.335 119.950 -0.141 0.000 2.171 73 F HA -0.154 4.373 4.527 0.001 0.000 0.300 73 F C 2.134 177.864 175.800 -0.118 0.000 1.090 73 F CA 1.620 59.532 58.000 -0.146 0.000 1.293 73 F CB 0.065 38.943 39.000 -0.204 0.000 1.013 73 F HN -0.079 nan 8.300 nan 0.000 0.486 74 Q N -0.433 119.292 119.800 -0.125 0.000 2.220 74 Q HA 0.142 4.483 4.340 0.001 0.000 0.205 74 Q C 0.644 176.556 176.000 -0.147 0.000 0.865 74 Q CA 0.047 55.728 55.803 -0.203 0.000 0.960 74 Q CB -0.411 28.270 28.738 -0.096 0.000 1.097 74 Q HN 0.183 nan 8.270 nan 0.000 0.493 75 T N 0.975 115.457 114.554 -0.121 0.000 2.932 75 T HA 0.019 4.370 4.350 0.001 0.000 0.312 75 T C 0.027 174.668 174.700 -0.099 0.000 1.071 75 T CA 0.086 62.131 62.100 -0.091 0.000 1.128 75 T CB 1.009 69.835 68.868 -0.072 0.000 0.984 75 T HN 0.413 nan 8.240 nan 0.000 0.549 76 S N 2.653 118.308 115.700 -0.076 0.000 2.575 76 S HA 0.335 4.805 4.470 0.001 0.000 0.295 76 S C 1.482 176.040 174.600 -0.070 0.000 1.267 76 S CA 0.860 59.017 58.200 -0.071 0.000 1.074 76 S CB -0.828 62.340 63.200 -0.053 0.000 0.829 76 S HN 1.571 nan 8.310 nan 0.000 0.497 77 G N 3.309 112.063 108.800 -0.076 0.000 2.143 77 G HA2 -0.176 3.784 3.960 0.001 0.000 0.248 77 G HA3 -0.176 3.784 3.960 0.001 0.000 0.248 77 G C 0.506 175.357 174.900 -0.080 0.000 0.991 77 G CA 0.229 45.288 45.100 -0.069 0.000 0.689 77 G HN 1.199 nan 8.290 nan 0.000 0.522 78 G N -1.482 107.251 108.800 -0.111 0.000 2.531 78 G HA2 0.589 4.550 3.960 0.001 0.000 0.281 78 G HA3 0.589 4.550 3.960 0.001 0.000 0.281 78 G C 1.238 176.037 174.900 -0.168 0.000 1.382 78 G CA 0.364 45.387 45.100 -0.128 0.000 1.045 78 G HN 0.654 nan 8.290 nan 0.000 0.533 79 V N 0.946 120.753 119.914 -0.178 0.000 2.261 79 V HA -0.100 4.020 4.120 0.001 0.000 0.246 79 V C 3.143 179.007 176.094 -0.384 0.000 1.047 79 V CA 2.531 64.725 62.300 -0.177 0.000 1.015 79 V CB -1.217 30.587 31.823 -0.032 0.000 0.642 79 V HN 0.815 nan 8.190 nan 0.000 0.446 80 G N -0.436 107.818 108.800 -0.910 0.000 2.440 80 G HA2 -0.257 3.704 3.960 0.001 0.000 0.218 80 G HA3 -0.257 3.704 3.960 0.001 0.000 0.218 80 G C 1.447 176.031 174.900 -0.527 0.000 1.154 80 G CA 0.998 45.319 45.100 -1.299 0.000 0.767 80 G HN 0.592 nan 8.290 nan 0.000 0.552 81 E N 0.094 120.073 120.200 -0.368 0.000 2.085 81 E HA -0.124 4.227 4.350 0.001 0.000 0.194 81 E C 2.721 179.236 176.600 -0.142 0.000 0.994 81 E CA 0.644 56.922 56.400 -0.203 0.000 0.801 81 E CB -0.140 29.466 29.700 -0.157 0.000 0.743 81 E HN 0.352 nan 8.360 nan 0.000 0.453 82 R N 0.460 120.879 120.500 -0.135 0.000 2.081 82 R HA -0.079 4.262 4.340 0.001 0.000 0.235 82 R C 2.522 178.792 176.300 -0.050 0.000 1.131 82 R CA 0.925 56.979 56.100 -0.077 0.000 0.960 82 R CB -0.208 30.056 30.300 -0.059 0.000 0.856 82 R HN 0.164 nan 8.270 nan 0.000 0.436 83 L N 0.163 121.353 121.223 -0.054 0.000 2.056 83 L HA -0.203 4.138 4.340 0.001 0.000 0.207 83 L C 2.639 179.513 176.870 0.008 0.000 1.078 83 L CA 1.185 56.032 54.840 0.012 0.000 0.749 83 L CB -0.432 41.671 42.059 0.074 0.000 0.901 83 L HN 0.184 nan 8.230 nan 0.000 0.433 84 Q N 0.512 120.294 119.800 -0.029 0.000 2.096 84 Q HA -0.205 4.136 4.340 0.001 0.000 0.204 84 Q C 2.154 178.128 176.000 -0.044 0.000 0.982 84 Q CA 1.595 57.391 55.803 -0.012 0.000 0.850 84 Q CB 0.043 28.766 28.738 -0.024 0.000 0.901 84 Q HN 0.164 nan 8.270 nan 0.000 0.422 85 K N -0.480 119.892 120.400 -0.047 0.000 2.057 85 K HA -0.058 4.263 4.320 0.001 0.000 0.207 85 K C 2.052 178.628 176.600 -0.040 0.000 1.049 85 K CA 1.294 57.553 56.287 -0.046 0.000 0.931 85 K CB -0.909 31.566 32.500 -0.040 0.000 0.714 85 K HN 0.426 nan 8.250 nan 0.000 0.440 86 G N 1.511 110.300 108.800 -0.018 0.000 2.418 86 G HA2 -0.209 3.752 3.960 0.001 0.000 0.217 86 G HA3 -0.209 3.752 3.960 0.001 0.000 0.217 86 G C 1.690 176.580 174.900 -0.016 0.000 1.158 86 G CA 0.464 45.568 45.100 0.006 0.000 0.771 86 G HN 0.160 nan 8.290 nan 0.000 0.545 87 L N 0.049 121.240 121.223 -0.053 0.000 2.093 87 L HA -0.031 4.310 4.340 0.001 0.000 0.208 87 L C 2.880 179.594 176.870 -0.259 0.000 1.085 87 L CA 1.112 55.839 54.840 -0.188 0.000 0.755 87 L CB -0.387 41.481 42.059 -0.319 0.000 0.904 87 L HN 0.315 nan 8.230 nan 0.000 0.435 88 E N -0.157 119.932 120.200 -0.185 0.000 2.106 88 E HA -0.178 4.172 4.350 0.001 0.000 0.192 88 E C 2.313 178.853 176.600 -0.099 0.000 0.984 88 E CA 0.719 57.025 56.400 -0.157 0.000 0.806 88 E CB 0.010 29.643 29.700 -0.112 0.000 0.750 88 E HN 0.420 nan 8.360 nan 0.000 0.458 89 R N 0.562 121.019 120.500 -0.071 0.000 2.092 89 R HA -0.052 4.289 4.340 0.001 0.000 0.231 89 R C 2.433 178.708 176.300 -0.042 0.000 1.119 89 R CA 0.808 56.883 56.100 -0.043 0.000 0.970 89 R CB -0.205 30.079 30.300 -0.026 0.000 0.864 89 R HN 0.053 nan 8.270 nan 0.000 0.440 90 R N 0.763 121.228 120.500 -0.058 0.000 2.081 90 R HA -0.106 4.235 4.340 0.001 0.000 0.235 90 R C 2.087 178.381 176.300 -0.010 0.000 1.131 90 R CA 1.548 57.615 56.100 -0.054 0.000 0.960 90 R CB -0.188 30.058 30.300 -0.089 0.000 0.856 90 R HN 0.201 nan 8.270 nan 0.000 0.436 91 A N 0.699 123.510 122.820 -0.015 0.000 2.015 91 A HA -0.150 4.171 4.320 0.001 0.000 0.219 91 A C 1.989 179.595 177.584 0.036 0.000 1.163 91 A CA 1.288 53.364 52.037 0.065 0.000 0.646 91 A CB -0.291 18.719 19.000 0.017 0.000 0.806 91 A HN 0.319 nan 8.150 nan 0.000 0.448 92 K N 0.165 120.565 120.400 -0.000 0.000 2.296 92 K HA -0.055 4.266 4.320 0.001 0.000 0.200 92 K C 0.802 177.404 176.600 0.004 0.000 1.048 92 K CA 0.808 57.096 56.287 0.001 0.000 0.966 92 K CB -0.029 32.464 32.500 -0.012 0.000 0.754 92 K HN 0.709 nan 8.250 nan 0.000 0.466 96 N N 0.774 119.482 118.700 0.013 0.000 2.500 96 N HA 0.043 4.784 4.740 0.001 0.000 0.291 96 N C -0.024 175.433 175.510 -0.088 0.000 1.092 96 N CA -0.428 52.583 53.050 -0.064 0.000 0.890 96 N CB 1.000 39.394 38.487 -0.154 0.000 1.466 96 N HN 0.248 nan 8.380 nan 0.000 0.507 97 W N 4.121 125.361 121.300 -0.101 0.000 2.465 97 W HA -0.044 4.617 4.660 0.002 0.000 0.268 97 W C 0.386 176.798 176.519 -0.177 0.000 1.242 97 W CA 0.249 57.493 57.345 -0.168 0.000 1.248 97 W CB -0.106 29.277 29.460 -0.128 0.000 1.118 97 W HN 0.432 nan 8.180 nan 0.000 0.587 98 L N 1.606 122.384 121.223 -0.741 0.000 2.425 98 L HA 0.137 4.477 4.340 0.001 0.000 0.215 98 L C 2.568 179.344 176.870 -0.158 0.000 1.065 98 L CA 1.492 55.951 54.840 -0.634 0.000 0.842 98 L CB -0.632 40.681 42.059 -1.243 0.000 1.033 98 L HN -0.201 nan 8.230 nan 0.000 0.474 99 S N 0.367 115.964 115.700 -0.172 0.000 2.422 99 S HA -0.395 4.076 4.470 0.001 0.000 0.248 99 S C 1.818 176.477 174.600 0.098 0.000 1.069 99 S CA 2.330 60.520 58.200 -0.016 0.000 1.214 99 S CB -0.594 62.566 63.200 -0.067 0.000 1.122 99 S HN 0.678 nan 8.310 nan 0.000 0.432 100 E N -0.441 119.782 120.200 0.037 0.000 2.058 100 E HA -0.198 4.153 4.350 0.001 0.000 0.194 100 E C 1.948 178.688 176.600 0.232 0.000 0.997 100 E CA 1.354 57.805 56.400 0.085 0.000 0.801 100 E CB -0.170 29.533 29.700 0.004 0.000 0.746 100 E HN 0.590 nan 8.360 nan 0.000 0.450 101 W N 0.688 122.046 121.300 0.097 0.000 2.338 101 W HA -0.187 4.474 4.660 0.001 0.000 0.304 101 W C 2.227 178.824 176.519 0.129 0.000 1.212 101 W CA 0.572 57.983 57.345 0.111 0.000 1.264 101 W CB -1.377 28.175 29.460 0.154 0.000 1.142 101 W HN 0.399 nan 8.180 nan 0.000 0.512 102 W N 0.471 121.890 121.300 0.199 0.000 2.379 102 W HA -0.211 4.450 4.660 0.001 0.000 0.307 102 W C 2.136 178.705 176.519 0.083 0.000 1.200 102 W CA 1.241 58.633 57.345 0.078 0.000 1.297 102 W CB -0.693 28.781 29.460 0.023 0.000 1.140 102 W HN -0.181 nan 8.180 nan 0.000 0.507 103 L N 2.626 123.929 121.223 0.133 0.000 2.012 103 L HA -0.265 4.076 4.340 0.001 0.000 0.210 103 L C 2.626 179.506 176.870 0.016 0.000 1.073 103 L CA 3.212 58.107 54.840 0.091 0.000 0.748 103 L CB -1.012 41.128 42.059 0.136 0.000 0.891 103 L HN 0.049 nan 8.230 nan 0.000 0.431 104 K N -2.179 118.243 120.400 0.037 0.000 2.031 104 K HA -0.091 4.229 4.320 0.001 0.000 0.205 104 K C 1.761 178.317 176.600 -0.075 0.000 1.049 104 K CA 1.829 58.127 56.287 0.018 0.000 0.939 104 K CB -1.022 31.524 32.500 0.077 0.000 0.717 104 K HN 0.251 nan 8.250 nan 0.000 0.438 105 T N 0.997 115.474 114.554 -0.128 0.000 2.737 105 T HA -0.051 4.299 4.350 0.001 0.000 0.265 105 T C 2.137 176.571 174.700 -0.443 0.000 1.038 105 T CA 1.478 63.445 62.100 -0.221 0.000 1.144 105 T CB -0.304 68.460 68.868 -0.173 0.000 0.866 105 T HN 0.479 nan 8.240 nan 0.000 0.434 106 A N -0.583 121.737 122.820 -0.834 0.000 1.975 106 A HA 0.170 4.491 4.320 0.001 0.000 0.215 106 A C 1.632 178.503 177.584 -1.189 0.000 1.170 106 A CA 0.844 52.080 52.037 -1.336 0.000 0.656 106 A CB -0.300 17.225 19.000 -2.459 0.000 0.821 106 A HN 0.626 nan 8.150 nan 0.000 0.449 107 Y N -1.750 118.336 120.300 -0.357 0.000 2.921 107 Y HA 0.281 4.832 4.550 0.002 0.000 0.246 107 Y C 1.930 177.817 175.900 -0.022 0.000 1.030 107 Y CA -0.209 57.803 58.100 -0.147 0.000 1.338 107 Y CB -0.081 38.295 38.460 -0.140 0.000 1.493 107 Y HN -0.003 nan 8.280 nan 0.000 0.452 108 L N 0.479 121.778 121.223 0.127 0.000 2.127 108 L HA -0.229 4.112 4.340 0.001 0.000 0.211 108 L C 1.547 178.443 176.870 0.043 0.000 1.089 108 L CA 1.680 56.566 54.840 0.076 0.000 0.757 108 L CB -0.432 41.660 42.059 0.055 0.000 0.899 108 L HN 0.403 nan 8.230 nan 0.000 0.434 109 Q N -1.139 118.677 119.800 0.027 0.000 2.319 109 Q HA 0.048 4.389 4.340 0.001 0.000 0.202 109 Q C 0.033 176.063 176.000 0.050 0.000 0.896 109 Q CA -0.280 55.532 55.803 0.016 0.000 0.942 109 Q CB 0.423 29.157 28.738 -0.006 0.000 1.083 109 Q HN 0.199 nan 8.270 nan 0.000 0.510 110 F N 1.878 121.756 119.950 -0.120 0.000 2.466 110 F HA 0.104 4.632 4.527 0.001 0.000 0.363 110 F C 0.663 176.384 175.800 -0.132 0.000 1.109 110 F CA -0.333 57.583 58.000 -0.139 0.000 1.161 110 F CB 0.521 39.422 39.000 -0.165 0.000 1.117 110 F HN -0.162 nan 8.300 nan 0.000 0.539 111 R N 3.000 123.218 120.500 -0.470 0.000 2.317 111 R HA 0.106 4.447 4.340 0.001 0.000 0.208 111 R C 0.442 176.108 176.300 -1.057 0.000 0.914 111 R CA 0.092 55.840 56.100 -0.586 0.000 1.060 111 R CB -0.334 29.782 30.300 -0.306 0.000 1.015 111 R HN 0.610 nan 8.270 nan 0.000 0.498 112 Q N 1.132 120.197 119.800 -1.224 0.000 2.443 112 Q HA 0.233 4.573 4.340 0.001 0.000 0.232 112 Q C -2.144 173.525 176.000 -0.551 0.000 1.026 112 Q CA -1.986 53.268 55.803 -0.915 0.000 0.924 112 Q CB -0.150 27.982 28.738 -1.009 0.000 1.256 112 Q HN -0.048 nan 8.270 nan 0.000 0.519 113 P HA -0.089 nan 4.420 nan 0.000 0.268 113 P C 0.856 178.167 177.300 0.019 0.000 1.208 113 P CA 0.168 63.231 63.100 -0.061 0.000 0.777 113 P CB 0.432 32.142 31.700 0.016 0.000 0.875 114 V N 0.655 120.550 119.914 -0.031 0.000 2.719 114 V HA -0.041 4.080 4.120 0.001 0.000 0.252 114 V C 0.802 176.864 176.094 -0.053 0.000 1.065 114 V CA 0.845 63.168 62.300 0.039 0.000 1.086 114 V CB -0.822 31.038 31.823 0.062 0.000 0.700 114 V HN 0.140 nan 8.190 nan 0.000 0.467 115 V N 2.138 121.905 119.914 -0.245 0.000 2.529 115 V HA 0.211 4.332 4.120 0.001 0.000 0.292 115 V C 1.382 177.227 176.094 -0.414 0.000 1.028 115 V CA 1.007 63.051 62.300 -0.426 0.000 1.074 115 V CB 0.121 31.502 31.823 -0.736 0.000 0.958 115 V HN 0.623 nan 8.190 nan 0.000 0.481 116 I N 1.399 121.796 120.570 -0.288 0.000 4.407 116 I HA -0.435 3.735 4.170 0.001 0.000 0.066 116 I C 1.436 177.453 176.117 -0.167 0.000 0.591 116 I CA 1.987 63.115 61.300 -0.286 0.000 1.050 116 I CB -1.272 36.392 38.000 -0.559 0.000 0.939 116 I HN 0.657 nan 8.210 nan 0.000 0.169 117 Y N -0.209 120.177 120.300 0.144 0.000 2.457 117 Y HA -0.006 4.545 4.550 0.001 0.000 0.292 117 Y C 2.421 178.453 175.900 0.221 0.000 1.125 117 Y CA 1.150 59.383 58.100 0.223 0.000 1.254 117 Y CB 0.053 38.664 38.460 0.253 0.000 1.012 117 Y HN 0.348 nan 8.280 nan 0.000 0.555 118 S N -1.647 114.214 115.700 0.268 0.000 3.171 118 S HA 0.122 4.592 4.470 0.001 0.000 0.258 118 S C 0.520 175.197 174.600 0.128 0.000 1.083 118 S CA -0.249 58.085 58.200 0.223 0.000 0.801 118 S CB -0.320 63.075 63.200 0.326 0.000 0.831 118 S HN 0.058 nan 8.310 nan 0.000 0.462 119 S N 4.264 119.992 115.700 0.046 0.000 2.430 119 S HA 0.442 4.913 4.470 0.001 0.000 0.282 119 S C -2.689 171.796 174.600 -0.191 0.000 1.186 119 S CA -0.709 57.432 58.200 -0.098 0.000 1.060 119 S CB 1.012 64.199 63.200 -0.022 0.000 0.966 119 S HN 0.387 nan 8.310 nan 0.000 0.501 120 P HA 0.305 nan 4.420 nan 0.000 0.275 120 P C 0.184 177.232 177.300 -0.420 0.000 1.228 120 P CA -0.203 62.682 63.100 -0.357 0.000 0.786 120 P CB 0.607 32.042 31.700 -0.442 0.000 0.927 121 G N 0.739 109.293 108.800 -0.410 0.000 2.441 121 G HA2 0.603 4.564 3.960 0.001 0.000 0.334 121 G HA3 0.603 4.564 3.960 0.001 0.000 0.334 121 G C -1.378 172.876 174.900 -1.077 0.000 1.161 121 G CA -0.576 44.222 45.100 -0.503 0.000 0.935 121 G HN 0.362 nan 8.290 nan 0.000 0.488 122 V N 1.175 120.754 119.914 -0.558 0.000 2.760 122 V HA 0.432 4.553 4.120 0.001 0.000 0.309 122 V C -0.483 175.622 176.094 0.018 0.000 1.077 122 V CA -0.581 61.497 62.300 -0.371 0.000 0.910 122 V CB 1.911 33.653 31.823 -0.136 0.000 1.008 122 V HN 0.657 nan 8.190 nan 0.000 0.424 123 I N 5.021 125.698 120.570 0.179 0.000 2.339 123 I HA 0.459 4.630 4.170 0.001 0.000 0.290 123 I C -0.427 175.782 176.117 0.154 0.000 0.994 123 I CA -0.315 61.128 61.300 0.237 0.000 1.191 123 I CB 1.521 39.693 38.000 0.286 0.000 1.343 123 I HN 0.393 nan 8.210 nan 0.000 0.458 124 L N 7.148 128.457 121.223 0.143 0.000 2.400 124 L HA 0.528 4.869 4.340 0.001 0.000 0.264 124 L C -2.225 174.710 176.870 0.107 0.000 1.061 124 L CA -1.969 52.950 54.840 0.132 0.000 0.799 124 L CB 0.563 42.725 42.059 0.172 0.000 1.240 124 L HN 0.275 nan 8.230 nan 0.000 0.461 125 P HA -0.015 nan 4.420 nan 0.000 0.265 125 P C -0.976 176.326 177.300 0.004 0.000 1.193 125 P CA -0.032 63.099 63.100 0.053 0.000 0.765 125 P CB 0.379 32.110 31.700 0.052 0.000 0.823 126 K N 3.424 123.812 120.400 -0.020 0.000 2.412 126 K HA 0.038 4.359 4.320 0.001 0.000 0.281 126 K C 0.255 176.739 176.600 -0.194 0.000 1.027 126 K CA -0.284 55.948 56.287 -0.090 0.000 0.989 126 K CB 0.333 32.803 32.500 -0.050 0.000 0.935 126 K HN 0.374 nan 8.250 nan 0.000 0.475 127 Q N 1.939 121.520 119.800 -0.366 0.000 2.249 127 Q HA 0.035 4.376 4.340 0.001 0.000 0.226 127 Q C 0.149 175.874 176.000 -0.459 0.000 0.983 127 Q CA -0.112 55.419 55.803 -0.453 0.000 0.930 127 Q CB 1.110 29.422 28.738 -0.710 0.000 1.193 127 Q HN 0.777 nan 8.270 nan 0.000 0.508 128 D N -1.254 118.972 120.400 -0.290 0.000 2.340 128 D HA 0.026 4.666 4.640 0.001 0.000 0.217 128 D C 0.243 176.448 176.300 -0.158 0.000 1.081 128 D CA -0.246 53.626 54.000 -0.215 0.000 0.842 128 D CB -0.555 40.186 40.800 -0.099 0.000 0.934 128 D HN 0.327 nan 8.370 nan 0.000 0.511 129 F N 0.604 120.509 119.950 -0.074 0.000 2.563 129 F HA 0.276 4.804 4.527 0.002 0.000 0.363 129 F C 1.083 176.869 175.800 -0.023 0.000 1.123 129 F CA -1.230 56.749 58.000 -0.035 0.000 1.307 129 F CB 0.627 39.623 39.000 -0.006 0.000 1.115 129 F HN -0.137 nan 8.300 nan 0.000 0.592 130 V N -1.200 118.833 119.914 0.199 0.000 3.380 130 V HA 0.373 4.494 4.120 0.001 0.000 0.307 130 V C -0.888 175.290 176.094 0.140 0.000 1.434 130 V CA 0.372 62.739 62.300 0.111 0.000 1.075 130 V CB -1.255 30.590 31.823 0.037 0.000 0.954 130 V HN 0.944 nan 8.190 nan 0.000 0.444 131 D N -1.368 119.145 120.400 0.189 0.000 2.665 131 D HA 0.384 5.024 4.640 0.001 0.000 0.287 131 D C 0.670 176.986 176.300 0.028 0.000 1.266 131 D CA -0.336 53.720 54.000 0.093 0.000 0.830 131 D CB 0.806 41.624 40.800 0.031 0.000 1.356 131 D HN -0.076 nan 8.370 nan 0.000 0.437 132 L N -1.152 120.021 121.223 -0.085 0.000 1.997 132 L HA -0.184 4.157 4.340 0.001 0.000 0.216 132 L C 2.079 178.773 176.870 -0.292 0.000 1.074 132 L CA 1.705 56.367 54.840 -0.296 0.000 0.763 132 L CB -2.024 39.734 42.059 -0.500 0.000 0.890 132 L HN 0.523 nan 8.230 nan 0.000 0.434 133 Q N 0.448 120.152 119.800 -0.160 0.000 2.170 133 Q HA -0.106 4.235 4.340 0.001 0.000 0.203 133 Q C 2.353 178.342 176.000 -0.018 0.000 0.976 133 Q CA 1.373 57.175 55.803 -0.002 0.000 0.858 133 Q CB -0.546 28.216 28.738 0.040 0.000 0.907 133 Q HN 0.760 nan 8.270 nan 0.000 0.433 134 G N 0.781 109.544 108.800 -0.061 0.000 2.408 134 G HA2 -0.298 3.663 3.960 0.001 0.000 0.217 134 G HA3 -0.298 3.663 3.960 0.001 0.000 0.217 134 G C 1.261 175.935 174.900 -0.377 0.000 1.150 134 G CA 0.620 45.691 45.100 -0.049 0.000 0.776 134 G HN 0.302 nan 8.290 nan 0.000 0.542 135 Q N -0.220 119.195 119.800 -0.642 0.000 2.084 135 Q HA 0.010 4.351 4.340 0.001 0.000 0.202 135 Q C 2.514 178.253 176.000 -0.435 0.000 0.978 135 Q CA 0.926 56.068 55.803 -1.100 0.000 0.844 135 Q CB -0.198 28.210 28.738 -0.550 0.000 0.898 135 Q HN 0.496 nan 8.270 nan 0.000 0.426 136 L N 0.031 121.135 121.223 -0.198 0.000 2.156 136 L HA -0.112 4.229 4.340 0.001 0.000 0.208 136 L C 2.658 179.621 176.870 0.155 0.000 1.095 136 L CA 0.528 55.358 54.840 -0.018 0.000 0.770 136 L CB -0.400 41.617 42.059 -0.070 0.000 0.914 136 L HN 0.150 nan 8.230 nan 0.000 0.439 137 R N -0.190 120.388 120.500 0.129 0.000 2.075 137 R HA -0.150 4.191 4.340 0.001 0.000 0.232 137 R C 2.194 178.525 176.300 0.051 0.000 1.126 137 R CA 1.395 57.514 56.100 0.032 0.000 0.963 137 R CB -0.793 29.423 30.300 -0.139 0.000 0.858 137 R HN 0.261 nan 8.270 nan 0.000 0.435 138 F N 1.403 121.294 119.950 -0.098 0.000 2.146 138 F HA -0.069 4.459 4.527 0.002 0.000 0.298 138 F C 2.186 177.985 175.800 -0.002 0.000 1.096 138 F CA 1.109 59.096 58.000 -0.022 0.000 1.275 138 F CB -0.479 38.532 39.000 0.020 0.000 1.008 138 F HN 0.007 nan 8.300 nan 0.000 0.480 139 A N 0.628 123.350 122.820 -0.162 0.000 1.908 139 A HA -0.096 4.224 4.320 0.001 0.000 0.218 139 A C 2.451 179.924 177.584 -0.184 0.000 1.181 139 A CA 1.990 53.909 52.037 -0.197 0.000 0.627 139 A CB -1.611 17.371 19.000 -0.031 0.000 0.818 139 A HN 0.522 nan 8.150 nan 0.000 0.445 140 A N -0.329 122.444 122.820 -0.078 0.000 1.902 140 A HA -0.162 4.159 4.320 0.001 0.000 0.217 140 A C 2.083 179.617 177.584 -0.083 0.000 1.181 140 A CA 2.368 54.385 52.037 -0.034 0.000 0.623 140 A CB -0.392 18.659 19.000 0.084 0.000 0.818 140 A HN 0.440 nan 8.150 nan 0.000 0.443 141 K N -0.040 120.291 120.400 -0.115 0.000 2.097 141 K HA 0.006 4.326 4.320 0.001 0.000 0.205 141 K C 1.810 178.300 176.600 -0.182 0.000 1.050 141 K CA 1.385 57.625 56.287 -0.079 0.000 0.938 141 K CB -0.565 31.921 32.500 -0.025 0.000 0.718 141 K HN 0.459 nan 8.250 nan 0.000 0.442 142 L N 0.072 121.043 121.223 -0.419 0.000 2.056 142 L HA -0.077 4.263 4.340 0.001 0.000 0.207 142 L C 2.022 178.642 176.870 -0.417 0.000 1.078 142 L CA 1.312 55.858 54.840 -0.491 0.000 0.749 142 L CB -0.181 41.463 42.059 -0.693 0.000 0.901 142 L HN 0.194 nan 8.230 nan 0.000 0.433 143 I N 0.032 120.435 120.570 -0.278 0.000 2.179 143 I HA -0.329 3.842 4.170 0.001 0.000 0.242 143 I C 2.549 178.580 176.117 -0.142 0.000 1.088 143 I CA 1.811 63.045 61.300 -0.111 0.000 1.357 143 I CB -0.395 37.599 38.000 -0.010 0.000 1.051 143 I HN 0.412 nan 8.210 nan 0.000 0.409 144 E N 1.068 121.167 120.200 -0.170 0.000 2.110 144 E HA -0.195 4.156 4.350 0.001 0.000 0.193 144 E C 2.258 178.572 176.600 -0.478 0.000 0.988 144 E CA 1.330 57.605 56.400 -0.208 0.000 0.804 144 E CB -0.197 29.466 29.700 -0.062 0.000 0.745 144 E HN 0.515 nan 8.360 nan 0.000 0.458 145 G N 0.392 108.851 108.800 -0.568 0.000 2.418 145 G HA2 -0.227 3.733 3.960 0.001 0.000 0.217 145 G HA3 -0.227 3.733 3.960 0.001 0.000 0.217 145 G C 1.639 176.308 174.900 -0.384 0.000 1.158 145 G CA 0.927 45.565 45.100 -0.771 0.000 0.771 145 G HN 0.236 nan 8.290 nan 0.000 0.545 146 V N 1.059 120.750 119.914 -0.372 0.000 2.343 146 V HA -0.103 4.018 4.120 0.001 0.000 0.247 146 V C 2.888 178.934 176.094 -0.081 0.000 1.051 146 V CA 1.296 63.399 62.300 -0.328 0.000 1.036 146 V CB -0.419 30.915 31.823 -0.816 0.000 0.654 146 V HN 0.337 nan 8.190 nan 0.000 0.451 147 L N 0.072 121.255 121.223 -0.067 0.000 2.131 147 L HA -0.198 4.143 4.340 0.001 0.000 0.210 147 L C 2.312 179.178 176.870 -0.007 0.000 1.092 147 L CA 1.945 56.790 54.840 0.008 0.000 0.759 147 L CB -0.638 41.370 42.059 -0.084 0.000 0.903 147 L HN 0.411 nan 8.230 nan 0.000 0.435 148 D N -0.088 120.251 120.400 -0.102 0.000 2.144 148 D HA -0.249 4.391 4.640 0.001 0.000 0.200 148 D C 2.013 178.298 176.300 -0.026 0.000 0.978 148 D CA 1.001 54.976 54.000 -0.041 0.000 0.833 148 D CB 0.005 40.731 40.800 -0.123 0.000 0.961 148 D HN 0.222 nan 8.370 nan 0.000 0.470 149 F N 1.055 120.864 119.950 -0.236 0.000 2.206 149 F HA 0.007 4.534 4.527 0.001 0.000 0.298 149 F C 2.142 177.799 175.800 -0.239 0.000 1.090 149 F CA 1.169 58.909 58.000 -0.433 0.000 1.323 149 F CB -0.088 38.668 39.000 -0.406 0.000 1.028 149 F HN -0.179 nan 8.300 nan 0.000 0.492 150 K N 0.872 121.305 120.400 0.055 0.000 2.147 150 K HA -0.120 4.201 4.320 0.001 0.000 0.205 150 K C 1.201 177.771 176.600 -0.050 0.000 1.049 150 K CA 0.915 57.223 56.287 0.035 0.000 0.936 150 K CB -0.393 32.198 32.500 0.151 0.000 0.722 150 K HN 0.430 nan 8.250 nan 0.000 0.446 154 D N 2.153 122.541 120.400 -0.020 0.000 2.182 154 D HA -0.042 4.599 4.640 0.001 0.000 0.201 154 D C 0.594 176.919 176.300 0.042 0.000 0.986 154 D CA 1.286 55.305 54.000 0.033 0.000 0.847 154 D CB -0.030 40.771 40.800 0.003 0.000 0.942 154 D HN 0.369 nan 8.370 nan 0.000 0.467 155 N N 0.398 119.103 118.700 0.009 0.000 2.604 155 N HA 0.142 4.883 4.740 0.001 0.000 0.297 155 N C 0.118 175.644 175.510 0.026 0.000 1.266 155 N CA -0.278 52.776 53.050 0.007 0.000 0.961 155 N CB 0.750 39.225 38.487 -0.021 0.000 1.166 155 N HN -0.197 nan 8.380 nan 0.000 0.601 156 E N -0.447 119.758 120.200 0.008 0.000 2.585 156 E HA 0.212 4.562 4.350 0.001 0.000 0.206 156 E C 0.130 176.707 176.600 -0.038 0.000 1.007 156 E CA -0.015 56.392 56.400 0.012 0.000 1.028 156 E CB -0.109 29.591 29.700 0.001 0.000 1.087 156 E HN 0.443 nan 8.360 nan 0.000 0.455 157 T N 0.123 114.637 114.554 -0.067 0.000 3.085 157 T HA 0.016 4.367 4.350 0.001 0.000 0.263 157 T C 0.622 175.234 174.700 -0.148 0.000 1.127 157 T CA -0.158 61.888 62.100 -0.091 0.000 1.103 157 T CB -0.051 68.767 68.868 -0.083 0.000 0.921 157 T HN 0.083 nan 8.240 nan 0.000 0.510 158 L N 3.890 124.991 121.223 -0.203 0.000 2.654 158 L HA 0.212 4.553 4.340 0.001 0.000 0.271 158 L C -2.281 174.439 176.870 -0.249 0.000 1.169 158 L CA -2.078 52.572 54.840 -0.318 0.000 0.947 158 L CB -0.319 41.478 42.059 -0.437 0.000 1.232 158 L HN -0.097 nan 8.230 nan 0.000 0.486 159 P HA -0.032 nan 4.420 nan 0.000 0.258 159 P C -0.728 176.432 177.300 -0.234 0.000 1.172 159 P CA -0.081 62.917 63.100 -0.170 0.000 0.762 159 P CB 0.220 31.855 31.700 -0.107 0.000 0.764 160 V N 4.534 124.269 119.914 -0.298 0.000 2.540 160 V HA -0.049 4.072 4.120 0.001 0.000 0.297 160 V C 1.028 176.749 176.094 -0.621 0.000 1.024 160 V CA 0.376 62.378 62.300 -0.497 0.000 1.105 160 V CB -0.188 31.163 31.823 -0.786 0.000 0.938 160 V HN 0.545 nan 8.190 nan 0.000 0.482 161 E N 3.721 123.640 120.200 -0.469 0.000 2.349 161 E HA 0.543 4.894 4.350 0.001 0.000 0.262 161 E C -1.238 175.003 176.600 -0.599 0.000 1.088 161 E CA -0.225 55.964 56.400 -0.353 0.000 0.899 161 E CB 1.044 30.696 29.700 -0.079 0.000 1.044 161 E HN 0.493 nan 8.360 nan 0.000 0.420 162 F N 0.764 120.739 119.950 0.042 0.000 2.599 162 F HA 0.430 4.958 4.527 0.001 0.000 0.311 162 F C -0.808 175.008 175.800 0.027 0.000 1.076 162 F CA -1.011 57.011 58.000 0.037 0.000 0.937 162 F CB 1.335 40.350 39.000 0.025 0.000 1.282 162 F HN 0.190 nan 8.300 nan 0.000 0.460 163 L N 1.988 123.345 121.223 0.223 0.000 2.457 163 L HA 0.680 5.021 4.340 0.001 0.000 0.266 163 L C 0.203 177.126 176.870 0.088 0.000 0.979 163 L CA -0.206 54.703 54.840 0.116 0.000 0.857 163 L CB 1.200 43.296 42.059 0.062 0.000 1.213 163 L HN 0.807 nan 8.230 nan 0.000 0.418 164 G N 3.321 112.163 108.800 0.071 0.000 2.323 164 G HA2 0.012 3.973 3.960 0.001 0.000 0.292 164 G HA3 0.012 3.973 3.960 0.001 0.000 0.292 164 G C 1.057 175.973 174.900 0.028 0.000 1.040 164 G CA 0.680 45.804 45.100 0.040 0.000 0.942 164 G HN 2.131 nan 8.290 nan 0.000 0.506 165 G N -1.973 106.844 108.800 0.027 0.000 2.184 165 G HA2 -0.196 3.765 3.960 0.001 0.000 0.264 165 G HA3 -0.196 3.765 3.960 0.001 0.000 0.264 165 G C 0.262 175.180 174.900 0.031 0.000 0.975 165 G CA 1.250 46.330 45.100 -0.034 0.000 0.642 165 G HN 1.371 nan 8.290 nan 0.000 0.536 166 Q N 0.828 120.696 119.800 0.112 0.000 2.314 166 Q HA 0.574 4.915 4.340 0.001 0.000 0.259 166 Q C -2.350 173.817 176.000 0.279 0.000 0.951 166 Q CA -2.008 53.870 55.803 0.125 0.000 0.909 166 Q CB 1.702 30.451 28.738 0.019 0.000 1.236 166 Q HN 0.215 nan 8.270 nan 0.000 0.444 167 P HA 0.072 nan 4.420 nan 0.000 0.269 167 P C -0.974 176.391 177.300 0.107 0.000 1.209 167 P CA 0.132 63.445 63.100 0.356 0.000 0.776 167 P CB 0.597 32.537 31.700 0.401 0.000 0.876 168 L N 1.983 123.238 121.223 0.055 0.000 2.334 168 L HA 0.436 4.777 4.340 0.001 0.000 0.276 168 L C 0.886 177.812 176.870 0.093 0.000 1.014 168 L CA -0.971 53.890 54.840 0.034 0.000 0.815 168 L CB 1.693 43.762 42.059 0.017 0.000 1.268 168 L HN 0.496 nan 8.230 nan 0.000 0.428 172 Q N -0.528 119.311 119.800 0.066 0.000 2.234 172 Q HA -0.106 4.234 4.340 0.001 0.000 0.206 172 Q C 0.711 176.657 176.000 -0.091 0.000 0.980 172 Q CA 1.576 57.340 55.803 -0.066 0.000 0.869 172 Q CB -0.172 28.438 28.738 -0.213 0.000 0.912 172 Q HN 0.516 nan 8.270 nan 0.000 0.436 173 Y N -1.549 118.796 120.300 0.076 0.000 2.421 173 Y HA -0.180 4.370 4.550 0.001 0.000 0.292 173 Y C 0.882 176.638 175.900 -0.239 0.000 1.136 173 Y CA 0.825 58.878 58.100 -0.077 0.000 1.255 173 Y CB 0.049 38.409 38.460 -0.167 0.000 0.991 173 Y HN 0.169 nan 8.280 nan 0.000 0.552 174 Y N -0.622 119.778 120.300 0.166 0.000 2.583 174 Y HA 0.108 4.659 4.550 0.001 0.000 0.294 174 Y C 1.197 177.143 175.900 0.078 0.000 1.170 174 Y CA -0.271 57.897 58.100 0.114 0.000 1.265 174 Y CB 0.064 38.577 38.460 0.088 0.000 1.119 174 Y HN 0.107 nan 8.280 nan 0.000 0.522 175 Q N -0.536 119.341 119.800 0.128 0.000 2.185 175 Q HA 0.227 4.568 4.340 0.001 0.000 0.234 175 Q C 1.825 177.860 176.000 0.059 0.000 0.819 175 Q CA 0.342 56.196 55.803 0.085 0.000 0.961 175 Q CB 0.645 29.413 28.738 0.051 0.000 1.140 175 Q HN 0.698 nan 8.270 nan 0.000 0.492 176 I N -3.016 117.580 120.570 0.043 0.000 2.585 176 I HA 0.137 4.307 4.170 0.001 0.000 0.254 176 I C 0.652 176.828 176.117 0.098 0.000 1.129 176 I CA 0.261 61.582 61.300 0.035 0.000 1.455 176 I CB 0.089 38.072 38.000 -0.029 0.000 1.111 176 I HN -0.137 nan 8.210 nan 0.000 0.433 177 L N 1.711 123.010 121.223 0.127 0.000 2.379 177 L HA 0.331 4.672 4.340 0.001 0.000 0.269 177 L C 0.752 177.729 176.870 0.178 0.000 1.084 177 L CA -0.582 54.367 54.840 0.182 0.000 0.802 177 L CB 1.303 43.476 42.059 0.190 0.000 1.175 177 L HN 0.210 nan 8.230 nan 0.000 0.448 178 S N 0.354 116.163 115.700 0.182 0.000 3.614 178 S HA -0.163 4.308 4.470 0.001 0.000 0.360 178 S C 0.019 174.786 174.600 0.278 0.000 1.023 178 S CA 0.912 59.215 58.200 0.172 0.000 1.114 178 S CB -1.416 61.884 63.200 0.168 0.000 0.907 178 S HN 0.886 nan 8.310 nan 0.000 0.470 179 S N -1.439 114.403 115.700 0.237 0.000 2.667 179 S HA 0.896 5.367 4.470 0.001 0.000 0.292 179 S C -0.454 174.289 174.600 0.238 0.000 1.126 179 S CA -0.432 57.916 58.200 0.247 0.000 0.881 179 S CB 2.659 65.956 63.200 0.161 0.000 1.132 179 S HN 0.876 nan 8.310 nan 0.000 0.492 180 C N 0.669 120.110 119.300 0.235 0.000 3.241 180 C HA 0.662 5.123 4.460 0.001 0.000 0.348 180 C C -0.649 174.460 174.990 0.199 0.000 1.180 180 C CA -0.489 58.676 59.018 0.245 0.000 1.273 180 C CB 1.468 29.386 27.740 0.297 0.000 1.620 180 C HN 1.207 nan 8.230 nan 0.000 0.510 181 R N 2.662 123.278 120.500 0.194 0.000 2.459 181 R HA 0.786 5.127 4.340 0.001 0.000 0.281 181 R C -1.304 175.064 176.300 0.113 0.000 1.050 181 R CA -0.170 56.008 56.100 0.131 0.000 1.055 181 R CB 0.988 31.363 30.300 0.125 0.000 1.045 181 R HN 0.611 nan 8.270 nan 0.000 0.495 182 V N 5.780 125.698 119.914 0.008 0.000 2.531 182 V HA 0.399 4.520 4.120 0.001 0.000 0.301 182 V C -2.237 173.701 176.094 -0.260 0.000 1.034 182 V CA -1.933 60.271 62.300 -0.161 0.000 0.865 182 V CB 1.770 33.519 31.823 -0.124 0.000 0.995 182 V HN 0.875 nan 8.190 nan 0.000 0.424 183 P HA 0.277 nan 4.420 nan 0.000 0.276 183 P C -0.057 177.039 177.300 -0.340 0.000 1.243 183 P CA 0.383 63.231 63.100 -0.421 0.000 0.768 183 P CB 1.472 32.742 31.700 -0.717 0.000 0.856 184 G N 4.146 112.843 108.800 -0.173 0.000 2.489 184 G HA2 0.473 4.434 3.960 0.001 0.000 0.327 184 G HA3 0.473 4.434 3.960 0.001 0.000 0.327 184 G C -1.652 173.207 174.900 -0.069 0.000 1.189 184 G CA -1.631 43.407 45.100 -0.103 0.000 0.962 184 G HN 0.212 nan 8.290 nan 0.000 0.486 185 P HA -0.066 nan 4.420 nan 0.000 0.218 185 P C 0.873 178.166 177.300 -0.012 0.000 1.149 185 P CA 1.173 64.261 63.100 -0.020 0.000 0.817 185 P CB 0.482 32.176 31.700 -0.009 0.000 0.785 186 K N -0.805 119.587 120.400 -0.013 0.000 2.344 186 K HA 0.148 4.469 4.320 0.001 0.000 0.200 186 K C 1.460 178.054 176.600 -0.011 0.000 1.132 186 K CA 0.709 56.992 56.287 -0.007 0.000 0.935 186 K CB 0.328 32.827 32.500 -0.001 0.000 1.089 186 K HN 0.422 nan 8.250 nan 0.000 0.496 187 Q N 0.579 120.371 119.800 -0.013 0.000 2.456 187 Q HA 0.391 4.732 4.340 0.001 0.000 0.284 187 Q C -1.488 174.499 176.000 -0.021 0.000 1.061 187 Q CA -0.786 55.010 55.803 -0.012 0.000 0.799 187 Q CB 1.866 30.606 28.738 0.003 0.000 1.445 187 Q HN -0.257 nan 8.270 nan 0.000 0.411 188 D N 1.051 121.441 120.400 -0.016 0.000 2.411 188 D HA 0.536 5.177 4.640 0.001 0.000 0.251 188 D C -0.398 175.897 176.300 -0.009 0.000 1.201 188 D CA 0.087 54.071 54.000 -0.026 0.000 0.996 188 D CB 1.356 42.150 40.800 -0.010 0.000 1.101 188 D HN 0.670 nan 8.370 nan 0.000 0.504 189 S N -1.560 114.131 115.700 -0.015 0.000 2.685 189 S HA 0.766 5.237 4.470 0.001 0.000 0.282 189 S C -1.180 173.427 174.600 0.011 0.000 1.159 189 S CA -0.832 57.367 58.200 -0.001 0.000 0.833 189 S CB 1.336 64.530 63.200 -0.009 0.000 1.151 189 S HN 0.140 nan 8.310 nan 0.000 0.485 190 V N 1.400 121.323 119.914 0.014 0.000 2.638 190 V HA 0.676 4.797 4.120 0.001 0.000 0.306 190 V C -0.366 175.730 176.094 0.002 0.000 1.052 190 V CA -0.670 61.647 62.300 0.028 0.000 0.885 190 V CB 1.651 33.493 31.823 0.031 0.000 0.999 190 V HN 1.068 nan 8.190 nan 0.000 0.424 191 V N 1.686 121.612 119.914 0.019 0.000 2.630 191 V HA 0.687 4.807 4.120 0.001 0.000 0.305 191 V C -0.369 175.665 176.094 -0.100 0.000 1.046 191 V CA -0.575 61.665 62.300 -0.100 0.000 0.934 191 V CB 1.631 33.418 31.823 -0.060 0.000 1.003 191 V HN 0.964 nan 8.190 nan 0.000 0.451 192 N N 1.841 120.361 118.700 -0.301 0.000 2.500 192 N HA 0.521 5.261 4.740 0.001 0.000 0.291 192 N C -0.919 174.433 175.510 -0.263 0.000 1.092 192 N CA -0.594 52.384 53.050 -0.120 0.000 0.890 192 N CB 1.457 39.925 38.487 -0.031 0.000 1.466 192 N HN 0.647 nan 8.380 nan 0.000 0.507 193 F N 2.698 122.681 119.950 0.054 0.000 2.653 193 F HA 0.210 4.738 4.527 0.001 0.000 0.304 193 F C 1.618 177.446 175.800 0.046 0.000 1.092 193 F CA -0.453 57.575 58.000 0.046 0.000 1.279 193 F CB 0.187 39.211 39.000 0.039 0.000 1.044 193 F HN 0.460 nan 8.300 nan 0.000 0.564 194 L N 1.052 122.396 121.223 0.201 0.000 2.043 194 L HA -0.172 4.169 4.340 0.001 0.000 0.212 194 L C 1.342 178.286 176.870 0.123 0.000 1.075 194 L CA 2.107 57.040 54.840 0.155 0.000 0.752 194 L CB -0.406 41.745 42.059 0.153 0.000 0.891 194 L HN 0.023 nan 8.230 nan 0.000 0.432 195 K N -0.536 119.926 120.400 0.103 0.000 2.699 195 K HA 0.218 4.538 4.320 0.001 0.000 0.210 195 K C 0.496 177.131 176.600 0.059 0.000 1.076 195 K CA 0.208 56.540 56.287 0.075 0.000 1.109 195 K CB 0.204 32.743 32.500 0.064 0.000 0.862 195 K HN 0.405 nan 8.250 nan 0.000 0.470 196 S N 0.085 115.836 115.700 0.084 0.000 2.617 196 S HA 0.133 4.604 4.470 0.001 0.000 0.259 196 S C 1.172 175.810 174.600 0.064 0.000 1.301 196 S CA -0.525 57.724 58.200 0.081 0.000 0.984 196 S CB 1.186 64.480 63.200 0.157 0.000 0.954 196 S HN 0.139 nan 8.310 nan 0.000 0.572 197 K N 0.814 121.247 120.400 0.055 0.000 2.074 197 K HA -0.156 4.165 4.320 0.001 0.000 0.209 197 K C 0.762 177.385 176.600 0.037 0.000 1.048 197 K CA 1.540 57.851 56.287 0.039 0.000 0.926 197 K CB -0.288 32.233 32.500 0.036 0.000 0.713 197 K HN 0.748 nan 8.250 nan 0.000 0.444 198 R N 0.854 121.385 120.500 0.051 0.000 2.547 198 R HA 0.335 4.676 4.340 0.001 0.000 0.280 198 R C -3.051 173.281 176.300 0.054 0.000 1.630 198 R CA -1.786 54.337 56.100 0.038 0.000 1.470 198 R CB 0.575 30.894 30.300 0.032 0.000 1.178 198 R HN -0.185 nan 8.270 nan 0.000 0.591 199 P HA 0.042 nan 4.420 nan 0.000 0.264 199 P C -2.303 175.018 177.300 0.034 0.000 1.179 199 P CA -0.573 62.562 63.100 0.058 0.000 0.763 199 P CB 0.134 31.851 31.700 0.028 0.000 0.806 200 P HA 0.017 nan 4.420 nan 0.000 0.266 200 P C 0.471 177.787 177.300 0.027 0.000 1.195 200 P CA 0.363 63.469 63.100 0.010 0.000 0.768 200 P CB 0.244 31.861 31.700 -0.139 0.000 0.838 201 T N -2.153 112.471 114.554 0.117 0.000 3.200 201 T HA 0.222 4.573 4.350 0.001 0.000 0.284 201 T C 0.121 174.965 174.700 0.240 0.000 1.009 201 T CA -0.371 61.872 62.100 0.238 0.000 0.907 201 T CB -0.873 68.118 68.868 0.204 0.000 1.120 201 T HN 0.609 nan 8.240 nan 0.000 0.534 202 H N 0.197 119.273 119.070 0.011 0.000 2.797 202 H HA 0.815 5.371 4.556 0.001 0.000 0.372 202 H C -0.430 174.797 175.328 -0.168 0.000 1.168 202 H CA -1.532 54.468 56.048 -0.080 0.000 1.163 202 H CB 1.403 31.119 29.762 -0.078 0.000 1.778 202 H HN 0.331 nan 8.280 nan 0.000 0.551 203 I N -0.968 119.457 120.570 -0.242 0.000 3.023 203 I HA 0.700 4.871 4.170 0.001 0.000 0.312 203 I C -0.731 175.327 176.117 -0.098 0.000 1.056 203 I CA -1.135 59.909 61.300 -0.427 0.000 1.033 203 I CB 2.608 40.158 38.000 -0.751 0.000 1.233 203 I HN 0.810 nan 8.210 nan 0.000 0.462 204 T N 0.614 115.135 114.554 -0.056 0.000 2.855 204 T HA 0.753 5.104 4.350 0.001 0.000 0.281 204 T C -0.514 174.275 174.700 0.149 0.000 1.007 204 T CA -0.715 61.460 62.100 0.124 0.000 1.009 204 T CB 1.806 70.784 68.868 0.183 0.000 0.983 204 T HN 0.481 nan 8.240 nan 0.000 0.455 205 V N 2.415 122.453 119.914 0.207 0.000 2.588 205 V HA 0.675 4.796 4.120 0.001 0.000 0.304 205 V C -0.505 175.713 176.094 0.206 0.000 1.042 205 V CA -0.902 61.502 62.300 0.172 0.000 0.877 205 V CB 1.818 33.694 31.823 0.088 0.000 0.996 205 V HN 0.875 nan 8.190 nan 0.000 0.425 206 V N 4.730 124.701 119.914 0.095 0.000 2.448 206 V HA 0.725 4.846 4.120 0.001 0.000 0.295 206 V C -1.225 174.881 176.094 0.021 0.000 1.025 206 V CA -0.194 62.051 62.300 -0.092 0.000 0.859 206 V CB 1.720 33.289 31.823 -0.423 0.000 0.988 206 V HN 1.054 nan 8.190 nan 0.000 0.431 207 H N 5.790 124.798 119.070 -0.103 0.000 2.877 207 H HA 0.467 5.024 4.556 0.001 0.000 0.347 207 H C 0.290 175.480 175.328 -0.230 0.000 1.042 207 H CA -0.340 55.589 56.048 -0.199 0.000 1.276 207 H CB 1.056 30.627 29.762 -0.318 0.000 1.681 207 H HN 0.730 nan 8.280 nan 0.000 0.521 208 N N 4.625 122.818 118.700 -0.845 0.000 2.727 208 N HA -0.262 4.479 4.740 0.001 0.000 0.249 208 N C -0.454 174.709 175.510 -0.579 0.000 1.048 208 N CA 1.660 54.184 53.050 -0.877 0.000 0.714 208 N CB -1.469 36.496 38.487 -0.871 0.000 0.959 208 N HN 0.958 nan 8.380 nan 0.000 0.544 209 Y N -4.104 116.066 120.300 -0.215 0.000 4.929 209 Y HA -0.379 4.172 4.550 0.001 0.000 0.253 209 Y C 0.522 176.317 175.900 -0.175 0.000 0.946 209 Y CA 0.559 58.560 58.100 -0.164 0.000 1.905 209 Y CB -1.574 36.857 38.460 -0.047 0.000 1.400 209 Y HN 0.329 nan 8.280 nan 0.000 0.531 210 Q N 0.823 120.599 119.800 -0.039 0.000 2.278 210 Q HA 0.499 4.839 4.340 0.001 0.000 0.257 210 Q C -0.728 175.244 176.000 -0.046 0.000 0.928 210 Q CA -0.630 55.191 55.803 0.030 0.000 0.932 210 Q CB 0.926 29.729 28.738 0.108 0.000 1.221 210 Q HN 0.116 nan 8.270 nan 0.000 0.434 211 F N 1.995 121.984 119.950 0.064 0.000 2.385 211 F HA 0.473 5.000 4.527 0.001 0.000 0.336 211 F C -0.272 175.391 175.800 -0.228 0.000 1.100 211 F CA -0.363 57.672 58.000 0.058 0.000 1.116 211 F CB 0.689 39.716 39.000 0.045 0.000 1.166 211 F HN 0.385 nan 8.300 nan 0.000 0.511 212 F N 0.486 120.530 119.950 0.156 0.000 2.565 212 F HA 0.295 4.822 4.527 0.000 0.000 0.313 212 F C -0.196 175.628 175.800 0.040 0.000 1.091 212 F CA -1.204 56.830 58.000 0.058 0.000 0.915 212 F CB 1.866 40.879 39.000 0.022 0.000 1.208 212 F HN 0.383 nan 8.300 nan 0.000 0.453 213 E N 3.382 123.659 120.200 0.129 0.000 2.081 213 E HA 0.435 4.786 4.350 0.001 0.000 0.281 213 E C -1.693 174.942 176.600 0.060 0.000 0.986 213 E CA -0.709 55.713 56.400 0.038 0.000 0.796 213 E CB 0.965 30.556 29.700 -0.181 0.000 1.085 213 E HN 0.561 nan 8.360 nan 0.000 0.398 214 L N 5.609 126.882 121.223 0.084 0.000 2.294 214 L HA 0.370 4.711 4.340 0.001 0.000 0.283 214 L C -1.016 175.862 176.870 0.013 0.000 1.015 214 L CA -0.541 54.315 54.840 0.026 0.000 0.831 214 L CB 1.323 43.375 42.059 -0.011 0.000 1.217 214 L HN 0.446 nan 8.230 nan 0.000 0.420 215 D N 3.934 124.337 120.400 0.006 0.000 2.390 215 D HA 0.120 4.761 4.640 0.001 0.000 0.249 215 D C 0.874 177.116 176.300 -0.096 0.000 1.144 215 D CA 0.313 54.320 54.000 0.010 0.000 0.880 215 D CB 1.904 42.714 40.800 0.016 0.000 1.182 215 D HN 0.500 nan 8.370 nan 0.000 0.451 216 V N 0.562 120.375 119.914 -0.167 0.000 3.214 216 V HA 0.317 4.437 4.120 0.001 0.000 0.330 216 V C -0.680 175.036 176.094 -0.631 0.000 1.403 216 V CA -0.268 61.799 62.300 -0.387 0.000 1.143 216 V CB -0.946 30.602 31.823 -0.458 0.000 1.098 216 V HN 0.271 nan 8.190 nan 0.000 0.463 217 Y N -0.485 119.718 120.300 -0.161 0.000 2.492 217 Y HA 0.672 5.222 4.550 0.000 0.000 0.346 217 Y C 0.535 176.331 175.900 -0.173 0.000 0.997 217 Y CA -1.089 56.922 58.100 -0.147 0.000 1.025 217 Y CB 1.405 39.836 38.460 -0.048 0.000 1.263 217 Y HN 0.139 nan 8.280 nan 0.000 0.454 218 H N 0.034 119.205 119.070 0.168 0.000 2.603 218 H HA 0.055 4.611 4.556 0.001 0.000 0.370 218 H C 1.064 176.446 175.328 0.091 0.000 1.225 218 H CA 0.522 56.628 56.048 0.097 0.000 1.410 218 H CB 1.689 31.493 29.762 0.069 0.000 1.495 218 H HN 0.745 nan 8.280 nan 0.000 0.602 219 S N 0.236 116.054 115.700 0.197 0.000 2.420 219 S HA -0.190 4.280 4.470 0.001 0.000 0.237 219 S C 1.008 175.663 174.600 0.092 0.000 1.023 219 S CA 1.820 60.086 58.200 0.111 0.000 0.991 219 S CB -0.353 62.895 63.200 0.080 0.000 0.792 219 S HN 0.704 nan 8.310 nan 0.000 0.488 220 D N -1.289 119.179 120.400 0.113 0.000 2.328 220 D HA 0.336 4.977 4.640 0.001 0.000 0.226 220 D C 1.320 177.669 176.300 0.082 0.000 1.066 220 D CA 0.697 54.744 54.000 0.077 0.000 0.861 220 D CB -0.418 40.418 40.800 0.060 0.000 0.912 220 D HN 0.416 nan 8.370 nan 0.000 0.521 221 G N 0.245 109.110 108.800 0.108 0.000 2.241 221 G HA2 -0.311 3.650 3.960 0.001 0.000 0.244 221 G HA3 -0.311 3.650 3.960 0.001 0.000 0.244 221 G C 0.623 175.628 174.900 0.174 0.000 0.998 221 G CA 0.353 45.497 45.100 0.074 0.000 0.621 221 G HN 0.778 nan 8.290 nan 0.000 0.519 222 T N 1.319 116.006 114.554 0.222 0.000 2.919 222 T HA 0.549 4.899 4.350 0.001 0.000 0.302 222 T C -1.831 173.074 174.700 0.342 0.000 1.031 222 T CA -0.679 61.577 62.100 0.260 0.000 1.127 222 T CB 2.112 71.113 68.868 0.221 0.000 0.952 222 T HN 0.337 nan 8.240 nan 0.000 0.540 223 P HA 0.279 nan 4.420 nan 0.000 0.278 223 P C -0.387 176.892 177.300 -0.035 0.000 1.238 223 P CA -0.763 62.349 63.100 0.019 0.000 0.794 223 P CB 0.678 32.371 31.700 -0.012 0.000 0.955 224 L N 2.465 123.537 121.223 -0.253 0.000 2.467 224 L HA 0.182 4.523 4.340 0.001 0.000 0.270 224 L C 1.597 178.446 176.870 -0.035 0.000 1.205 224 L CA 0.868 55.607 54.840 -0.169 0.000 0.828 224 L CB -0.194 41.700 42.059 -0.275 0.000 1.101 224 L HN 0.505 nan 8.230 nan 0.000 0.479 225 T N -1.950 112.635 114.554 0.052 0.000 2.847 225 T HA 0.246 4.597 4.350 0.001 0.000 0.279 225 T C 1.299 176.021 174.700 0.037 0.000 0.984 225 T CA -0.139 61.994 62.100 0.055 0.000 0.988 225 T CB 0.962 69.876 68.868 0.076 0.000 1.040 225 T HN 0.658 nan 8.240 nan 0.000 0.528 226 S N -0.013 115.715 115.700 0.047 0.000 2.383 226 S HA -0.229 4.242 4.470 0.001 0.000 0.229 226 S C 1.572 176.212 174.600 0.065 0.000 1.030 226 S CA 1.660 59.886 58.200 0.042 0.000 1.002 226 S CB -0.909 62.317 63.200 0.045 0.000 0.829 226 S HN 0.845 nan 8.310 nan 0.000 0.467 227 D N 1.254 121.689 120.400 0.057 0.000 2.117 227 D HA -0.100 4.541 4.640 0.001 0.000 0.197 227 D C 2.298 178.676 176.300 0.130 0.000 0.987 227 D CA 1.430 55.476 54.000 0.077 0.000 0.829 227 D CB -0.319 40.506 40.800 0.041 0.000 0.961 227 D HN 0.610 nan 8.370 nan 0.000 0.460 228 Q N -0.428 119.427 119.800 0.091 0.000 2.079 228 Q HA -0.044 4.297 4.340 0.001 0.000 0.200 228 Q C 2.441 178.466 176.000 0.042 0.000 0.974 228 Q CA 0.881 56.731 55.803 0.077 0.000 0.840 228 Q CB 0.034 28.826 28.738 0.089 0.000 0.898 228 Q HN 0.418 nan 8.270 nan 0.000 0.430 229 I N 0.070 120.656 120.570 0.027 0.000 2.226 229 I HA -0.266 3.905 4.170 0.001 0.000 0.245 229 I C 2.125 178.249 176.117 0.011 0.000 1.100 229 I CA 0.970 62.263 61.300 -0.012 0.000 1.374 229 I CB -0.282 37.702 38.000 -0.026 0.000 1.057 229 I HN 0.178 nan 8.210 nan 0.000 0.413 230 F N 1.571 121.482 119.950 -0.065 0.000 2.095 230 F HA -0.231 4.296 4.527 0.001 0.000 0.298 230 F C 2.377 178.133 175.800 -0.073 0.000 1.104 230 F CA 1.703 59.658 58.000 -0.074 0.000 1.232 230 F CB -0.524 38.436 39.000 -0.067 0.000 0.987 230 F HN -0.229 nan 8.300 nan 0.000 0.475 231 V N 0.678 120.542 119.914 -0.084 0.000 2.332 231 V HA -0.328 3.792 4.120 0.001 0.000 0.248 231 V C 2.474 178.438 176.094 -0.217 0.000 1.055 231 V CA 2.124 64.323 62.300 -0.168 0.000 1.038 231 V CB -0.766 31.052 31.823 -0.008 0.000 0.651 231 V HN 0.408 nan 8.190 nan 0.000 0.450 232 Q N -0.545 119.163 119.800 -0.154 0.000 2.119 232 Q HA -0.058 4.283 4.340 0.001 0.000 0.201 232 Q C 2.281 178.158 176.000 -0.206 0.000 0.972 232 Q CA 1.340 57.057 55.803 -0.144 0.000 0.847 232 Q CB -0.369 28.309 28.738 -0.099 0.000 0.903 232 Q HN 0.554 nan 8.270 nan 0.000 0.433 233 L N 0.646 121.720 121.223 -0.250 0.000 2.131 233 L HA -0.174 4.167 4.340 0.001 0.000 0.210 233 L C 2.254 178.940 176.870 -0.306 0.000 1.092 233 L CA 1.058 55.741 54.840 -0.261 0.000 0.759 233 L CB -0.340 41.579 42.059 -0.232 0.000 0.903 233 L HN 0.253 nan 8.230 nan 0.000 0.435 234 E N 0.274 120.211 120.200 -0.437 0.000 2.072 234 E HA -0.213 4.138 4.350 0.001 0.000 0.191 234 E C 2.165 178.645 176.600 -0.200 0.000 0.985 234 E CA 1.039 57.211 56.400 -0.381 0.000 0.801 234 E CB 0.047 29.452 29.700 -0.492 0.000 0.750 234 E HN 0.467 nan 8.360 nan 0.000 0.452 235 K N 0.569 120.852 120.400 -0.195 0.000 2.057 235 K HA -0.112 4.208 4.320 0.001 0.000 0.207 235 K C 2.185 178.673 176.600 -0.186 0.000 1.049 235 K CA 1.028 57.234 56.287 -0.135 0.000 0.931 235 K CB -0.133 32.303 32.500 -0.107 0.000 0.714 235 K HN 0.118 nan 8.250 nan 0.000 0.440 236 I N 0.231 120.604 120.570 -0.327 0.000 2.226 236 I HA -0.290 3.880 4.170 0.001 0.000 0.245 236 I C 2.398 178.189 176.117 -0.543 0.000 1.100 236 I CA 1.053 61.919 61.300 -0.722 0.000 1.374 236 I CB -0.303 37.218 38.000 -0.798 0.000 1.057 236 I HN 0.428 nan 8.210 nan 0.000 0.413 237 W N 2.393 123.396 121.300 -0.494 0.000 2.333 237 W HA -0.222 4.438 4.660 0.000 0.000 0.316 237 W C 2.269 178.665 176.519 -0.205 0.000 1.215 237 W CA 1.589 58.667 57.345 -0.446 0.000 1.278 237 W CB -0.570 28.613 29.460 -0.461 0.000 1.154 237 W HN 0.206 nan 8.180 nan 0.000 0.486 238 N N 0.210 118.991 118.700 0.136 0.000 2.443 238 N HA -0.114 4.627 4.740 0.001 0.000 0.184 238 N C 1.505 177.047 175.510 0.052 0.000 1.037 238 N CA 1.459 54.574 53.050 0.109 0.000 0.896 238 N CB -0.353 38.170 38.487 0.059 0.000 0.959 238 N HN 0.014 nan 8.380 nan 0.000 0.442 239 S N -0.460 115.250 115.700 0.017 0.000 2.575 239 S HA 0.053 4.524 4.470 0.001 0.000 0.215 239 S C 0.772 175.497 174.600 0.209 0.000 0.966 239 S CA -0.198 58.072 58.200 0.117 0.000 0.911 239 S CB 0.289 63.612 63.200 0.206 0.000 0.780 239 S HN 0.340 nan 8.310 nan 0.000 0.514 240 S N 0.600 116.364 115.700 0.107 0.000 2.526 240 S HA 0.403 4.874 4.470 0.001 0.000 0.220 240 S C 0.567 175.138 174.600 -0.048 0.000 1.159 240 S CA -0.496 57.775 58.200 0.117 0.000 1.196 240 S CB -0.461 62.889 63.200 0.250 0.000 1.225 240 S HN 0.239 nan 8.310 nan 0.000 0.432 241 L N 0.361 121.561 121.223 -0.037 0.000 2.240 241 L HA 0.148 4.489 4.340 0.001 0.000 0.211 241 L C 1.639 178.451 176.870 -0.097 0.000 1.106 241 L CA 0.660 55.462 54.840 -0.062 0.000 0.793 241 L CB -0.173 41.894 42.059 0.012 0.000 0.927 241 L HN 0.548 nan 8.230 nan 0.000 0.446 242 Q N 0.869 120.620 119.800 -0.082 0.000 2.311 242 Q HA -0.012 4.329 4.340 0.001 0.000 0.272 242 Q C 0.662 176.553 176.000 -0.183 0.000 1.012 242 Q CA 0.163 55.911 55.803 -0.092 0.000 0.891 242 Q CB 0.902 29.611 28.738 -0.048 0.000 1.201 242 Q HN 0.264 nan 8.270 nan 0.000 0.391 243 S N 1.964 117.549 115.700 -0.192 0.000 2.578 243 S HA 0.063 4.534 4.470 0.001 0.000 0.231 243 S C 0.170 174.616 174.600 -0.255 0.000 0.994 243 S CA -0.361 57.654 58.200 -0.308 0.000 0.956 243 S CB 0.092 63.124 63.200 -0.280 0.000 0.870 243 S HN 0.769 nan 8.310 nan 0.000 0.494 244 N N 1.128 119.758 118.700 -0.117 0.000 2.480 244 N HA 0.198 4.939 4.740 0.001 0.000 0.281 244 N C -0.504 175.038 175.510 0.054 0.000 1.381 244 N CA -0.478 52.564 53.050 -0.012 0.000 0.903 244 N CB 0.254 38.739 38.487 -0.003 0.000 1.274 244 N HN 0.066 nan 8.380 nan 0.000 0.505 245 K N 0.592 121.032 120.400 0.066 0.000 2.120 245 K HA 0.146 4.467 4.320 0.001 0.000 0.245 245 K C 0.335 177.064 176.600 0.215 0.000 1.024 245 K CA -0.347 56.015 56.287 0.124 0.000 0.906 245 K CB 0.892 33.461 32.500 0.115 0.000 1.051 245 K HN 0.194 nan 8.250 nan 0.000 0.491 246 E N 3.016 123.309 120.200 0.155 0.000 2.366 246 E HA 0.048 4.398 4.350 0.001 0.000 0.266 246 E C -1.974 174.692 176.600 0.109 0.000 1.015 246 E CA -1.704 54.763 56.400 0.111 0.000 0.906 246 E CB 0.270 30.015 29.700 0.076 0.000 0.979 246 E HN 0.212 nan 8.360 nan 0.000 0.443 247 P HA 0.046 nan 4.420 nan 0.000 0.237 247 P C 0.910 178.142 177.300 -0.114 0.000 1.788 247 P CA -0.033 62.938 63.100 -0.214 0.000 1.061 247 P CB 0.165 31.515 31.700 -0.583 0.000 1.967 248 V N 2.694 122.591 119.914 -0.028 0.000 2.324 248 V HA -0.236 3.885 4.120 0.001 0.000 0.250 248 V C 2.816 178.841 176.094 -0.115 0.000 1.060 248 V CA 2.714 64.933 62.300 -0.135 0.000 1.042 248 V CB -1.593 29.975 31.823 -0.424 0.000 0.650 248 V HN 0.436 nan 8.190 nan 0.000 0.450 249 G N -0.747 108.125 108.800 0.119 0.000 2.479 249 G HA2 -0.278 3.683 3.960 0.001 0.000 0.220 249 G HA3 -0.278 3.683 3.960 0.001 0.000 0.220 249 G C 1.591 176.380 174.900 -0.185 0.000 1.115 249 G CA 0.882 46.049 45.100 0.112 0.000 0.757 249 G HN 0.537 nan 8.290 nan 0.000 0.560 250 I N 0.234 120.703 120.570 -0.169 0.000 2.700 250 I HA -0.052 4.119 4.170 0.001 0.000 0.261 250 I C 2.414 178.333 176.117 -0.331 0.000 1.219 250 I CA 0.352 61.547 61.300 -0.175 0.000 1.463 250 I CB 0.078 37.981 38.000 -0.163 0.000 1.092 250 I HN 0.152 nan 8.210 nan 0.000 0.452 251 L N 0.139 121.072 121.223 -0.484 0.000 2.127 251 L HA -0.215 4.126 4.340 0.001 0.000 0.211 251 L C 2.499 178.602 176.870 -1.278 0.000 1.089 251 L CA 1.858 56.274 54.840 -0.708 0.000 0.757 251 L CB -1.075 40.572 42.059 -0.686 0.000 0.899 251 L HN 0.428 nan 8.230 nan 0.000 0.434 252 T N -4.039 109.671 114.554 -1.405 0.000 3.098 252 T HA -0.085 4.266 4.350 0.001 0.000 0.266 252 T C 1.637 175.915 174.700 -0.703 0.000 1.145 252 T CA 0.906 62.139 62.100 -1.444 0.000 1.092 252 T CB -0.312 67.932 68.868 -1.041 0.000 0.908 252 T HN 0.425 nan 8.240 nan 0.000 0.526 253 S N -0.302 115.096 115.700 -0.504 0.000 2.556 253 S HA 0.223 4.694 4.470 0.001 0.000 0.216 253 S C 0.652 175.071 174.600 -0.302 0.000 0.970 253 S CA -0.762 57.188 58.200 -0.416 0.000 0.912 253 S CB -0.323 62.625 63.200 -0.420 0.000 0.790 253 S HN 0.375 nan 8.310 nan 0.000 0.504 254 N N 1.804 120.336 118.700 -0.281 0.000 2.413 254 N HA 0.211 4.952 4.740 0.001 0.000 0.266 254 N C -0.427 175.072 175.510 -0.019 0.000 1.238 254 N CA -0.406 52.578 53.050 -0.110 0.000 0.972 254 N CB 0.470 38.923 38.487 -0.057 0.000 1.210 254 N HN 0.422 nan 8.380 nan 0.000 0.547 255 H N 0.935 119.977 119.070 -0.046 0.000 3.038 255 H HA 0.010 4.566 4.556 0.001 0.000 0.338 255 H C 1.192 176.529 175.328 0.014 0.000 1.041 255 H CA 0.416 56.434 56.048 -0.050 0.000 1.394 255 H CB 0.725 30.448 29.762 -0.065 0.000 1.357 255 H HN 0.328 nan 8.280 nan 0.000 0.600 256 R N 3.311 123.620 120.500 -0.319 0.000 2.120 256 R HA -0.136 4.205 4.340 0.001 0.000 0.234 256 R C 1.422 177.749 176.300 0.045 0.000 1.123 256 R CA 1.339 57.390 56.100 -0.081 0.000 0.975 256 R CB -0.673 29.517 30.300 -0.184 0.000 0.866 256 R HN 0.680 nan 8.270 nan 0.000 0.446 257 N N -0.171 118.626 118.700 0.162 0.000 2.142 257 N HA -0.088 4.653 4.740 0.001 0.000 0.186 257 N C 1.554 177.155 175.510 0.152 0.000 1.023 257 N CA 1.800 54.957 53.050 0.178 0.000 0.852 257 N CB -0.392 38.242 38.487 0.245 0.000 0.998 257 N HN 0.155 nan 8.380 nan 0.000 0.424 258 T N -0.412 114.266 114.554 0.207 0.000 2.777 258 T HA -0.130 4.221 4.350 0.001 0.000 0.266 258 T C 1.448 176.291 174.700 0.240 0.000 1.040 258 T CA 0.704 62.903 62.100 0.166 0.000 1.141 258 T CB -0.349 68.605 68.868 0.143 0.000 0.868 258 T HN 0.460 nan 8.240 nan 0.000 0.444 259 W N 1.757 123.064 121.300 0.012 0.000 2.388 259 W HA -0.097 4.563 4.660 0.001 0.000 0.294 259 W C 2.456 179.002 176.519 0.045 0.000 1.212 259 W CA 0.602 57.947 57.345 0.001 0.000 1.271 259 W CB -0.133 29.292 29.460 -0.058 0.000 1.126 259 W HN 0.285 nan 8.180 nan 0.000 0.535 260 A N 1.216 124.004 122.820 -0.053 0.000 1.908 260 A HA -0.255 4.065 4.320 0.001 0.000 0.218 260 A C 1.909 179.446 177.584 -0.078 0.000 1.181 260 A CA 2.157 54.078 52.037 -0.193 0.000 0.627 260 A CB -0.738 18.204 19.000 -0.097 0.000 0.818 260 A HN 0.376 nan 8.150 nan 0.000 0.445 261 K N -0.547 119.860 120.400 0.011 0.000 2.062 261 K HA 0.074 4.394 4.320 0.001 0.000 0.205 261 K C 2.301 178.932 176.600 0.051 0.000 1.051 261 K CA 0.960 57.265 56.287 0.031 0.000 0.941 261 K CB -0.277 32.250 32.500 0.045 0.000 0.719 261 K HN 0.414 nan 8.250 nan 0.000 0.440 262 A N 0.743 123.638 122.820 0.124 0.000 1.969 262 A HA -0.186 4.135 4.320 0.001 0.000 0.218 262 A C 2.039 179.702 177.584 0.131 0.000 1.169 262 A CA 1.113 53.267 52.037 0.195 0.000 0.635 262 A CB -0.629 18.599 19.000 0.381 0.000 0.810 262 A HN 0.423 nan 8.150 nan 0.000 0.445 263 Y N 1.122 121.233 120.300 -0.315 0.000 2.163 263 Y HA -0.200 4.350 4.550 0.001 0.000 0.288 263 Y C 2.328 178.091 175.900 -0.228 0.000 1.136 263 Y CA 1.972 59.710 58.100 -0.603 0.000 1.147 263 Y CB -0.327 37.371 38.460 -1.269 0.000 0.987 263 Y HN 0.422 nan 8.280 nan 0.000 0.509 264 N N 0.550 119.199 118.700 -0.085 0.000 2.149 264 N HA -0.260 4.481 4.740 0.001 0.000 0.188 264 N C 1.531 176.976 175.510 -0.109 0.000 1.019 264 N CA 1.692 54.687 53.050 -0.092 0.000 0.857 264 N CB -0.427 38.061 38.487 0.001 0.000 0.997 264 N HN 0.527 nan 8.380 nan 0.000 0.426 265 N N 0.421 119.086 118.700 -0.058 0.000 2.207 265 N HA -0.092 4.649 4.740 0.001 0.000 0.182 265 N C 1.855 177.348 175.510 -0.030 0.000 1.020 265 N CA 0.412 53.447 53.050 -0.026 0.000 0.858 265 N CB -0.354 38.141 38.487 0.013 0.000 0.991 265 N HN 0.133 nan 8.380 nan 0.000 0.427 266 L N 1.335 122.540 121.223 -0.030 0.000 2.043 266 L HA -0.062 4.278 4.340 0.001 0.000 0.212 266 L C 1.549 178.407 176.870 -0.020 0.000 1.075 266 L CA 1.576 56.425 54.840 0.016 0.000 0.752 266 L CB -0.668 41.442 42.059 0.084 0.000 0.891 266 L HN 0.501 nan 8.230 nan 0.000 0.432 267 I N -4.440 116.032 120.570 -0.163 0.000 3.749 267 I HA 0.030 4.201 4.170 0.001 0.000 0.314 267 I C 1.591 177.654 176.117 -0.089 0.000 1.278 267 I CA 0.164 61.375 61.300 -0.149 0.000 1.158 267 I CB -0.553 37.266 38.000 -0.302 0.000 1.018 267 I HN 0.119 nan 8.210 nan 0.000 0.435 268 K N 1.190 121.556 120.400 -0.056 0.000 2.155 268 K HA -0.044 4.277 4.320 0.001 0.000 0.203 268 K C 0.478 177.066 176.600 -0.020 0.000 1.052 268 K CA 0.742 57.009 56.287 -0.033 0.000 0.948 268 K CB -0.162 32.326 32.500 -0.019 0.000 0.728 268 K HN 0.433 nan 8.250 nan 0.000 0.448 269 D N 0.955 121.350 120.400 -0.007 0.000 2.350 269 D HA -0.012 4.629 4.640 0.001 0.000 0.249 269 D C 0.890 177.178 176.300 -0.019 0.000 1.119 269 D CA 0.056 54.055 54.000 -0.002 0.000 0.886 269 D CB 1.198 42.011 40.800 0.021 0.000 1.195 269 D HN -0.120 nan 8.370 nan 0.000 0.437 270 K N 2.229 122.613 120.400 -0.026 0.000 2.009 270 K HA -0.155 4.166 4.320 0.001 0.000 0.210 270 K C 1.638 178.201 176.600 -0.062 0.000 1.049 270 K CA 1.346 57.609 56.287 -0.040 0.000 0.929 270 K CB -0.116 32.362 32.500 -0.036 0.000 0.714 270 K HN 0.405 nan 8.250 nan 0.000 0.440 271 V N 2.031 121.905 119.914 -0.067 0.000 2.295 271 V HA -0.271 3.849 4.120 0.001 0.000 0.246 271 V C 1.943 177.943 176.094 -0.158 0.000 1.049 271 V CA 2.068 64.301 62.300 -0.112 0.000 1.024 271 V CB -0.764 30.996 31.823 -0.105 0.000 0.648 271 V HN 0.409 nan 8.190 nan 0.000 0.447 272 N N 0.204 118.854 118.700 -0.085 0.000 2.104 272 N HA -0.196 4.544 4.740 0.001 0.000 0.190 272 N C 1.946 177.429 175.510 -0.045 0.000 1.024 272 N CA 1.632 54.668 53.050 -0.022 0.000 0.853 272 N CB -0.481 38.103 38.487 0.162 0.000 1.008 272 N HN 0.450 nan 8.380 nan 0.000 0.424 273 R N 1.018 121.486 120.500 -0.055 0.000 2.096 273 R HA -0.076 4.265 4.340 0.001 0.000 0.235 273 R C 1.963 178.206 176.300 -0.094 0.000 1.127 273 R CA 1.285 57.345 56.100 -0.068 0.000 0.968 273 R CB -0.047 30.216 30.300 -0.061 0.000 0.861 273 R HN 0.364 nan 8.270 nan 0.000 0.440 274 E N -0.336 119.788 120.200 -0.126 0.000 2.072 274 E HA -0.129 4.221 4.350 0.001 0.000 0.191 274 E C 1.611 178.080 176.600 -0.217 0.000 0.985 274 E CA 1.442 57.752 56.400 -0.150 0.000 0.801 274 E CB 0.065 29.676 29.700 -0.149 0.000 0.750 274 E HN 0.267 nan 8.360 nan 0.000 0.452 275 S N 0.095 115.609 115.700 -0.310 0.000 2.356 275 S HA -0.131 4.339 4.470 0.001 0.000 0.223 275 S C 2.029 176.397 174.600 -0.387 0.000 1.032 275 S CA 1.158 59.086 58.200 -0.454 0.000 1.005 275 S CB -0.158 62.511 63.200 -0.885 0.000 0.867 275 S HN 0.160 nan 8.310 nan 0.000 0.449 276 V N 3.020 122.786 119.914 -0.247 0.000 2.407 276 V HA -0.189 3.932 4.120 0.001 0.000 0.248 276 V C 2.339 178.331 176.094 -0.170 0.000 1.055 276 V CA 1.645 63.826 62.300 -0.198 0.000 1.049 276 V CB -0.770 31.087 31.823 0.057 0.000 0.662 276 V HN 0.581 nan 8.190 nan 0.000 0.455 277 N N -0.235 118.395 118.700 -0.117 0.000 2.084 277 N HA -0.206 4.534 4.740 0.001 0.000 0.190 277 N C 2.168 177.578 175.510 -0.165 0.000 1.030 277 N CA 1.757 54.753 53.050 -0.091 0.000 0.849 277 N CB -0.016 38.427 38.487 -0.072 0.000 1.012 277 N HN 0.434 nan 8.380 nan 0.000 0.423 278 S N 0.597 116.184 115.700 -0.189 0.000 2.368 278 S HA -0.051 4.419 4.470 0.001 0.000 0.225 278 S C 2.111 176.674 174.600 -0.062 0.000 1.030 278 S CA 0.746 58.859 58.200 -0.146 0.000 0.999 278 S CB -0.232 62.826 63.200 -0.237 0.000 0.844 278 S HN 0.332 nan 8.310 nan 0.000 0.459 279 I N 1.210 121.636 120.570 -0.240 0.000 2.179 279 I HA -0.214 3.957 4.170 0.001 0.000 0.242 279 I C 2.752 178.738 176.117 -0.218 0.000 1.088 279 I CA 1.383 62.490 61.300 -0.321 0.000 1.357 279 I CB -0.437 37.070 38.000 -0.821 0.000 1.051 279 I HN 0.411 nan 8.210 nan 0.000 0.409 280 Q N 0.667 120.361 119.800 -0.177 0.000 2.170 280 Q HA -0.210 4.131 4.340 0.001 0.000 0.203 280 Q C 2.091 178.034 176.000 -0.096 0.000 0.976 280 Q CA 1.288 57.089 55.803 -0.004 0.000 0.858 280 Q CB -0.115 28.709 28.738 0.143 0.000 0.907 280 Q HN 0.501 nan 8.270 nan 0.000 0.433 281 K N 0.935 121.104 120.400 -0.384 0.000 2.228 281 K HA 0.006 4.327 4.320 0.001 0.000 0.202 281 K C 0.913 177.271 176.600 -0.403 0.000 1.051 281 K CA 0.390 56.256 56.287 -0.702 0.000 0.960 281 K CB 0.110 32.168 32.500 -0.737 0.000 0.743 281 K HN 0.131 nan 8.250 nan 0.000 0.458 282 S N 0.999 116.477 115.700 -0.369 0.000 2.561 282 S HA -0.045 4.426 4.470 0.001 0.000 0.294 282 S C 1.276 175.705 174.600 -0.286 0.000 1.294 282 S CA -0.239 57.620 58.200 -0.568 0.000 1.055 282 S CB 0.227 63.244 63.200 -0.305 0.000 0.819 282 S HN 0.124 nan 8.310 nan 0.000 0.503 283 I N 1.374 121.750 120.570 -0.324 0.000 2.248 283 I HA -0.064 4.107 4.170 0.001 0.000 0.248 283 I C 0.750 176.970 176.117 0.171 0.000 1.107 283 I CA 1.471 62.735 61.300 -0.061 0.000 1.373 283 I CB -0.524 37.437 38.000 -0.065 0.000 1.055 283 I HN 0.827 nan 8.210 nan 0.000 0.418 284 F N -3.004 116.973 119.950 0.044 0.000 2.900 284 F HA 0.519 5.047 4.527 0.002 0.000 0.321 284 F C -1.010 174.878 175.800 0.147 0.000 1.160 284 F CA -1.230 56.854 58.000 0.139 0.000 0.890 284 F CB 0.800 39.961 39.000 0.268 0.000 1.334 284 F HN -0.522 nan 8.300 nan 0.000 0.459 285 T N 1.583 116.437 114.554 0.500 0.000 2.841 285 T HA 0.686 5.037 4.350 0.001 0.000 0.283 285 T C -1.292 173.706 174.700 0.496 0.000 1.000 285 T CA -0.659 61.660 62.100 0.366 0.000 0.977 285 T CB 1.917 70.974 68.868 0.315 0.000 0.979 285 T HN 0.609 nan 8.240 nan 0.000 0.446 286 V N 2.442 122.575 119.914 0.365 0.000 2.448 286 V HA 0.359 4.480 4.120 0.001 0.000 0.295 286 V C -0.292 175.944 176.094 0.235 0.000 1.025 286 V CA -0.825 61.680 62.300 0.342 0.000 0.859 286 V CB 1.342 33.328 31.823 0.271 0.000 0.988 286 V HN 1.071 nan 8.190 nan 0.000 0.431 287 C N 6.401 125.837 119.300 0.227 0.000 2.264 287 C HA 0.542 5.002 4.460 0.001 0.000 0.324 287 C C 0.303 175.410 174.990 0.196 0.000 1.267 287 C CA -0.958 58.165 59.018 0.174 0.000 1.618 287 C CB -0.272 27.557 27.740 0.148 0.000 2.278 287 C HN 0.709 nan 8.230 nan 0.000 0.499 288 L N 3.896 125.235 121.223 0.193 0.000 2.302 288 L HA 0.262 4.602 4.340 0.001 0.000 0.285 288 L C -0.105 176.922 176.870 0.263 0.000 1.090 288 L CA 0.108 55.101 54.840 0.254 0.000 0.866 288 L CB -0.204 42.017 42.059 0.270 0.000 1.244 288 L HN 0.617 nan 8.230 nan 0.000 0.435 289 D N 2.704 123.253 120.400 0.248 0.000 2.357 289 D HA 0.160 4.801 4.640 0.001 0.000 0.242 289 D C 0.284 176.715 176.300 0.220 0.000 1.153 289 D CA -0.122 54.005 54.000 0.211 0.000 0.918 289 D CB 1.001 41.934 40.800 0.222 0.000 1.181 289 D HN 0.399 nan 8.370 nan 0.000 0.435 290 K N 0.164 120.649 120.400 0.142 0.000 2.090 290 K HA 0.266 4.587 4.320 0.001 0.000 0.249 290 K C 0.123 176.823 176.600 0.165 0.000 0.995 290 K CA -0.877 55.482 56.287 0.119 0.000 0.914 290 K CB 0.977 33.466 32.500 -0.018 0.000 1.057 290 K HN 0.292 nan 8.250 nan 0.000 0.462 291 Q N 1.174 121.067 119.800 0.156 0.000 2.361 291 Q HA 0.125 4.465 4.340 0.001 0.000 0.276 291 Q C -0.537 175.542 176.000 0.132 0.000 1.022 291 Q CA -0.551 55.344 55.803 0.155 0.000 0.898 291 Q CB 0.793 29.609 28.738 0.131 0.000 1.246 291 Q HN 0.544 nan 8.270 nan 0.000 0.410 292 V N 1.025 121.044 119.914 0.174 0.000 2.960 292 V HA 0.691 4.812 4.120 0.001 0.000 0.315 292 V C -2.481 173.724 176.094 0.185 0.000 1.087 292 V CA -2.286 60.145 62.300 0.218 0.000 0.982 292 V CB 0.897 32.943 31.823 0.371 0.000 1.039 292 V HN 0.788 nan 8.190 nan 0.000 0.437 293 P HA 0.217 nan 4.420 nan 0.000 0.266 293 P C -0.324 177.051 177.300 0.125 0.000 1.195 293 P CA -0.170 63.018 63.100 0.146 0.000 0.768 293 P CB 0.322 32.128 31.700 0.176 0.000 0.838 294 R N 1.977 122.521 120.500 0.074 0.000 2.643 294 R HA 0.313 4.654 4.340 0.001 0.000 0.270 294 R C -0.363 175.944 176.300 0.012 0.000 1.061 294 R CA -0.214 55.911 56.100 0.042 0.000 1.107 294 R CB 0.217 30.523 30.300 0.011 0.000 0.999 294 R HN 0.404 nan 8.270 nan 0.000 0.460 295 V N 0.008 119.913 119.914 -0.015 0.000 3.141 295 V HA 0.535 4.656 4.120 0.001 0.000 0.312 295 V C -0.202 175.864 176.094 -0.048 0.000 1.157 295 V CA -0.961 61.289 62.300 -0.084 0.000 1.041 295 V CB 1.686 33.322 31.823 -0.312 0.000 1.071 295 V HN 0.939 nan 8.190 nan 0.000 0.441 296 S N 0.202 115.876 115.700 -0.043 0.000 2.579 296 S HA 0.135 4.606 4.470 0.001 0.000 0.275 296 S C 0.565 175.171 174.600 0.011 0.000 1.345 296 S CA 0.181 58.372 58.200 -0.015 0.000 1.031 296 S CB 0.516 63.717 63.200 0.002 0.000 0.892 296 S HN 0.817 nan 8.310 nan 0.000 0.529 297 D N 1.562 121.960 120.400 -0.003 0.000 2.182 297 D HA -0.156 4.485 4.640 0.001 0.000 0.201 297 D C 1.581 177.920 176.300 0.066 0.000 0.986 297 D CA 1.585 55.593 54.000 0.013 0.000 0.847 297 D CB -0.349 40.435 40.800 -0.027 0.000 0.942 297 D HN 0.887 nan 8.370 nan 0.000 0.467 298 D N 0.955 121.386 120.400 0.052 0.000 2.310 298 D HA -0.115 4.526 4.640 0.001 0.000 0.212 298 D C 1.719 178.075 176.300 0.094 0.000 0.965 298 D CA 0.709 54.749 54.000 0.066 0.000 0.879 298 D CB -0.028 40.804 40.800 0.053 0.000 0.921 298 D HN 0.307 nan 8.370 nan 0.000 0.510 299 V N -3.684 116.296 119.914 0.110 0.000 3.346 299 V HA 0.210 4.331 4.120 0.001 0.000 0.309 299 V C 1.804 178.019 176.094 0.201 0.000 1.457 299 V CA -0.691 61.704 62.300 0.159 0.000 1.069 299 V CB -0.829 31.115 31.823 0.202 0.000 0.944 299 V HN -0.057 nan 8.190 nan 0.000 0.449 300 Y N 2.607 122.917 120.300 0.017 0.000 2.070 300 Y HA -0.140 4.410 4.550 0.001 0.000 0.280 300 Y C 2.667 178.598 175.900 0.052 0.000 1.148 300 Y CA 2.471 60.570 58.100 -0.001 0.000 1.125 300 Y CB -0.130 38.316 38.460 -0.022 0.000 0.975 300 Y HN 0.162 nan 8.280 nan 0.000 0.492 301 R N -0.034 120.433 120.500 -0.055 0.000 2.127 301 R HA -0.173 4.167 4.340 0.001 0.000 0.238 301 R C 1.848 178.044 176.300 -0.174 0.000 1.134 301 R CA 1.293 57.294 56.100 -0.165 0.000 0.975 301 R CB -0.344 29.948 30.300 -0.014 0.000 0.865 301 R HN 0.432 nan 8.270 nan 0.000 0.447 302 N N -0.012 118.642 118.700 -0.076 0.000 2.188 302 N HA -0.128 4.613 4.740 0.001 0.000 0.184 302 N C 1.492 176.885 175.510 -0.196 0.000 1.018 302 N CA 1.311 54.282 53.050 -0.131 0.000 0.858 302 N CB -0.311 38.143 38.487 -0.056 0.000 0.989 302 N HN 0.353 nan 8.380 nan 0.000 0.426 303 H N -0.097 118.846 119.070 -0.212 0.000 2.363 303 H HA 0.087 4.643 4.556 0.001 0.000 0.301 303 H C 2.040 177.208 175.328 -0.267 0.000 1.074 303 H CA 0.793 56.718 56.048 -0.205 0.000 1.354 303 H CB -0.185 29.495 29.762 -0.137 0.000 1.397 303 H HN -0.072 nan 8.280 nan 0.000 0.516 304 V N 0.614 120.379 119.914 -0.249 0.000 2.407 304 V HA -0.259 3.861 4.120 0.001 0.000 0.248 304 V C 2.544 178.506 176.094 -0.220 0.000 1.055 304 V CA 1.583 63.729 62.300 -0.257 0.000 1.049 304 V CB -1.027 30.571 31.823 -0.375 0.000 0.662 304 V HN 0.565 nan 8.190 nan 0.000 0.455 305 A N 0.681 123.284 122.820 -0.362 0.000 1.902 305 A HA -0.093 4.228 4.320 0.001 0.000 0.217 305 A C 2.442 179.705 177.584 -0.535 0.000 1.181 305 A CA 1.957 53.577 52.037 -0.695 0.000 0.623 305 A CB -1.234 17.143 19.000 -1.038 0.000 0.818 305 A HN 0.517 nan 8.150 nan 0.000 0.443 306 G N -0.696 107.825 108.800 -0.464 0.000 2.418 306 G HA2 -0.131 3.829 3.960 0.001 0.000 0.217 306 G HA3 -0.131 3.829 3.960 0.001 0.000 0.217 306 G C 1.070 175.595 174.900 -0.624 0.000 1.158 306 G CA 0.891 45.617 45.100 -0.622 0.000 0.771 306 G HN 0.714 nan 8.290 nan 0.000 0.545 310 H N -2.143 116.970 119.070 0.071 0.000 3.360 310 H HA 0.571 5.128 4.556 0.001 0.000 0.262 310 H C 1.252 176.667 175.328 0.145 0.000 1.149 310 H CA 0.609 56.650 56.048 -0.012 0.000 1.181 310 H CB 1.332 31.001 29.762 -0.156 0.000 1.564 310 H HN 0.391 nan 8.280 nan 0.000 0.565 311 G N 0.653 109.565 108.800 0.185 0.000 2.232 311 G HA2 -0.223 3.738 3.960 0.001 0.000 0.226 311 G HA3 -0.223 3.738 3.960 0.001 0.000 0.226 311 G C 1.298 176.330 174.900 0.221 0.000 0.996 311 G CA 0.655 45.902 45.100 0.245 0.000 0.626 311 G HN 1.317 nan 8.290 nan 0.000 0.509 312 G N -1.044 107.942 108.800 0.310 0.000 2.241 312 G HA2 0.462 4.423 3.960 0.001 0.000 0.244 312 G HA3 0.462 4.423 3.960 0.001 0.000 0.244 312 G C 1.470 176.309 174.900 -0.102 0.000 0.998 312 G CA 0.910 46.030 45.100 0.033 0.000 0.621 312 G HN 2.929 nan 8.290 nan 0.000 0.519 313 G N -1.629 107.243 108.800 0.120 0.000 2.339 313 G HA2 0.490 4.451 3.960 0.001 0.000 0.381 313 G HA3 0.490 4.451 3.960 0.001 0.000 0.381 313 G C 0.800 175.845 174.900 0.243 0.000 1.400 313 G CA 0.946 46.132 45.100 0.145 0.000 1.002 313 G HN 1.748 nan 8.290 nan 0.000 0.633 314 S N -0.452 115.337 115.700 0.148 0.000 2.419 314 S HA -0.086 4.385 4.470 0.001 0.000 0.235 314 S C 1.692 176.376 174.600 0.141 0.000 1.019 314 S CA 1.750 59.996 58.200 0.078 0.000 0.982 314 S CB -0.073 63.142 63.200 0.025 0.000 0.789 314 S HN 0.559 nan 8.310 nan 0.000 0.490 315 K N -0.035 120.502 120.400 0.228 0.000 2.393 315 K HA 0.303 4.624 4.320 0.001 0.000 0.193 315 K C 0.515 177.101 176.600 -0.024 0.000 1.026 315 K CA 0.174 56.512 56.287 0.086 0.000 1.064 315 K CB -0.200 32.274 32.500 -0.043 0.000 0.833 315 K HN 0.471 nan 8.250 nan 0.000 0.521 316 F N 0.944 120.982 119.950 0.147 0.000 2.480 316 F HA 0.189 4.716 4.527 0.001 0.000 0.212 316 F C 1.552 177.480 175.800 0.213 0.000 1.113 316 F CA 0.119 58.214 58.000 0.159 0.000 0.970 316 F CB -0.223 38.861 39.000 0.140 0.000 1.177 316 F HN -0.110 nan 8.300 nan 0.000 0.663 317 N N -0.943 118.018 118.700 0.436 0.000 2.160 317 N HA 0.094 4.835 4.740 0.001 0.000 0.226 317 N C 1.058 176.720 175.510 0.254 0.000 1.256 317 N CA 0.247 53.497 53.050 0.333 0.000 0.890 317 N CB 0.693 39.343 38.487 0.273 0.000 1.116 317 N HN 0.055 nan 8.380 nan 0.000 0.517 318 S N 0.053 115.889 115.700 0.226 0.000 2.419 318 S HA -0.060 4.411 4.470 0.001 0.000 0.233 318 S C 1.886 176.535 174.600 0.082 0.000 1.016 318 S CA 1.175 59.500 58.200 0.208 0.000 0.974 318 S CB -0.078 63.220 63.200 0.162 0.000 0.786 318 S HN 0.491 nan 8.310 nan 0.000 0.492 319 G N 0.848 109.552 108.800 -0.160 0.000 2.813 319 G HA2 -0.042 3.919 3.960 0.001 0.000 0.209 319 G HA3 -0.042 3.919 3.960 0.001 0.000 0.209 319 G C 0.716 175.525 174.900 -0.152 0.000 1.150 319 G CA -0.150 44.679 45.100 -0.451 0.000 0.785 319 G HN 0.399 nan 8.290 nan 0.000 0.535 320 N N 0.825 119.586 118.700 0.103 0.000 2.802 320 N HA 0.185 4.926 4.740 0.001 0.000 0.288 320 N C -0.051 175.478 175.510 0.032 0.000 1.268 320 N CA -0.115 53.021 53.050 0.144 0.000 1.035 320 N CB -0.062 38.547 38.487 0.202 0.000 1.353 320 N HN 0.085 nan 8.380 nan 0.000 0.522 321 R N -0.446 120.073 120.500 0.032 0.000 2.752 321 R HA 0.316 4.657 4.340 0.001 0.000 0.271 321 R C -1.529 174.878 176.300 0.178 0.000 1.026 321 R CA -0.637 55.408 56.100 -0.092 0.000 0.901 321 R CB 1.098 30.971 30.300 -0.712 0.000 1.243 321 R HN 0.226 nan 8.270 nan 0.000 0.463 322 W N 2.759 123.973 121.300 -0.142 0.000 2.451 322 W HA 0.262 4.924 4.660 0.003 0.000 0.285 322 W C -0.820 175.639 176.519 -0.101 0.000 1.024 322 W CA -0.671 56.668 57.345 -0.009 0.000 1.421 322 W CB 0.345 29.873 29.460 0.112 0.000 1.319 322 W HN 0.639 nan 8.180 nan 0.000 0.366 323 F N 1.421 121.292 119.950 -0.132 0.000 2.583 323 F HA -0.151 4.377 4.527 0.002 0.000 0.297 323 F C 1.786 177.576 175.800 -0.018 0.000 1.131 323 F CA 1.074 59.030 58.000 -0.073 0.000 1.467 323 F CB -0.066 38.845 39.000 -0.148 0.000 1.097 323 F HN 0.019 nan 8.300 nan 0.000 0.586 324 D N -0.133 120.334 120.400 0.111 0.000 2.323 324 D HA -0.050 4.591 4.640 0.001 0.000 0.209 324 D C 1.039 177.537 176.300 0.330 0.000 0.973 324 D CA 0.573 54.721 54.000 0.246 0.000 0.874 324 D CB -0.069 40.942 40.800 0.352 0.000 0.930 324 D HN 0.007 nan 8.370 nan 0.000 0.521 325 K N 0.894 121.543 120.400 0.415 0.000 2.412 325 K HA 0.040 4.361 4.320 0.001 0.000 0.281 325 K C 1.070 177.805 176.600 0.225 0.000 1.027 325 K CA 0.265 56.755 56.287 0.339 0.000 0.989 325 K CB 0.629 33.340 32.500 0.352 0.000 0.935 325 K HN -0.231 nan 8.250 nan 0.000 0.475 326 T N 3.461 118.132 114.554 0.196 0.000 2.684 326 T HA -0.067 4.284 4.350 0.001 0.000 0.267 326 T C 0.319 175.090 174.700 0.117 0.000 1.036 326 T CA 1.148 63.336 62.100 0.148 0.000 1.148 326 T CB -0.080 68.863 68.868 0.125 0.000 0.863 326 T HN 0.401 nan 8.240 nan 0.000 0.436 327 L N 1.482 122.776 121.223 0.118 0.000 2.343 327 L HA 0.463 4.804 4.340 0.001 0.000 0.278 327 L C -0.610 176.286 176.870 0.044 0.000 0.996 327 L CA -0.543 54.300 54.840 0.005 0.000 0.831 327 L CB 1.915 43.987 42.059 0.023 0.000 1.232 327 L HN 0.045 nan 8.230 nan 0.000 0.413 328 Q N 3.481 123.219 119.800 -0.104 0.000 2.309 328 Q HA 0.505 4.846 4.340 0.001 0.000 0.270 328 Q C -1.470 174.438 176.000 -0.154 0.000 1.023 328 Q CA -0.538 55.271 55.803 0.010 0.000 0.758 328 Q CB 2.632 31.387 28.738 0.028 0.000 1.247 328 Q HN 0.374 nan 8.270 nan 0.000 0.455 329 F N 2.589 122.612 119.950 0.121 0.000 2.420 329 F HA 0.500 5.028 4.527 0.002 0.000 0.342 329 F C 0.172 176.051 175.800 0.132 0.000 1.113 329 F CA -0.602 57.451 58.000 0.089 0.000 1.059 329 F CB 0.975 39.991 39.000 0.027 0.000 1.128 329 F HN 0.314 nan 8.300 nan 0.000 0.475 330 I N 3.717 124.460 120.570 0.289 0.000 2.406 330 I HA 0.421 4.592 4.170 0.001 0.000 0.290 330 I C -1.061 175.244 176.117 0.313 0.000 0.999 330 I CA -0.884 60.571 61.300 0.258 0.000 1.124 330 I CB 1.812 39.930 38.000 0.196 0.000 1.289 330 I HN 0.171 nan 8.210 nan 0.000 0.441 331 V N 5.984 126.089 119.914 0.318 0.000 2.326 331 V HA 0.537 4.658 4.120 0.001 0.000 0.281 331 V C 0.521 176.836 176.094 0.367 0.000 1.015 331 V CA -0.578 61.958 62.300 0.393 0.000 0.823 331 V CB 1.251 33.295 31.823 0.368 0.000 1.009 331 V HN 0.849 nan 8.190 nan 0.000 0.436 332 A N 3.250 126.300 122.820 0.382 0.000 2.313 332 A HA 0.421 4.742 4.320 0.001 0.000 0.261 332 A C 1.323 179.167 177.584 0.433 0.000 1.090 332 A CA -0.098 52.144 52.037 0.341 0.000 0.807 332 A CB 0.453 19.610 19.000 0.261 0.000 1.055 332 A HN 0.807 nan 8.150 nan 0.000 0.492 333 E N 0.430 120.845 120.200 0.358 0.000 2.106 333 E HA -0.206 4.145 4.350 0.001 0.000 0.192 333 E C 0.786 177.610 176.600 0.372 0.000 0.984 333 E CA 1.796 58.419 56.400 0.372 0.000 0.806 333 E CB -0.119 29.755 29.700 0.290 0.000 0.750 333 E HN 0.804 nan 8.360 nan 0.000 0.458 334 D N -1.644 118.905 120.400 0.248 0.000 2.340 334 D HA 0.083 4.724 4.640 0.001 0.000 0.220 334 D C 1.259 177.486 176.300 -0.122 0.000 1.039 334 D CA 0.950 55.015 54.000 0.108 0.000 0.866 334 D CB 0.266 41.138 40.800 0.119 0.000 0.913 334 D HN 0.298 nan 8.370 nan 0.000 0.523 335 G N -0.830 107.798 108.800 -0.288 0.000 2.316 335 G HA2 -0.217 3.744 3.960 0.001 0.000 0.203 335 G HA3 -0.217 3.744 3.960 0.001 0.000 0.203 335 G C 0.433 175.088 174.900 -0.408 0.000 0.999 335 G CA 0.038 44.529 45.100 -1.015 0.000 0.649 335 G HN 0.375 nan 8.290 nan 0.000 0.489 336 S N 0.340 116.010 115.700 -0.051 0.000 2.593 336 S HA 0.605 5.075 4.470 0.001 0.000 0.269 336 S C 0.588 175.276 174.600 0.147 0.000 1.334 336 S CA 0.512 58.743 58.200 0.051 0.000 1.015 336 S CB 1.251 64.511 63.200 0.100 0.000 0.912 336 S HN 1.720 nan 8.310 nan 0.000 0.541 337 C N -0.815 118.581 119.300 0.160 0.000 3.311 337 C HA 1.030 5.491 4.460 0.001 0.000 0.325 337 C C -0.042 175.082 174.990 0.224 0.000 1.352 337 C CA -0.226 58.948 59.018 0.261 0.000 1.308 337 C CB 0.831 28.806 27.740 0.392 0.000 1.619 337 C HN 1.138 nan 8.230 nan 0.000 0.469 341 Y N 3.095 123.337 120.300 -0.098 0.000 2.536 341 Y HA 0.842 5.392 4.550 0.001 0.000 0.347 341 Y C -0.325 175.547 175.900 -0.047 0.000 1.000 341 Y CA -1.048 56.989 58.100 -0.106 0.000 1.051 341 Y CB 1.613 39.957 38.460 -0.194 0.000 1.259 341 Y HN 0.643 nan 8.280 nan 0.000 0.468 342 E N 2.300 122.587 120.200 0.145 0.000 2.223 342 E HA 0.024 4.375 4.350 0.001 0.000 0.282 342 E C 0.173 176.841 176.600 0.113 0.000 1.046 342 E CA 0.132 56.591 56.400 0.099 0.000 0.857 342 E CB 0.332 30.107 29.700 0.125 0.000 1.055 342 E HN 0.926 nan 8.360 nan 0.000 0.409 343 H N 3.697 122.732 119.070 -0.058 0.000 2.524 343 H HA 0.013 4.569 4.556 0.001 0.000 0.282 343 H C 1.375 176.343 175.328 -0.601 0.000 1.016 343 H CA 1.247 57.188 56.048 -0.179 0.000 1.270 343 H CB 0.382 30.051 29.762 -0.156 0.000 1.394 343 H HN 0.584 nan 8.280 nan 0.000 0.568 344 A N 0.341 122.920 122.820 -0.401 0.000 2.019 344 A HA -0.066 4.255 4.320 0.001 0.000 0.219 344 A C 2.642 180.083 177.584 -0.237 0.000 1.164 344 A CA 1.382 53.104 52.037 -0.525 0.000 0.644 344 A CB -0.599 18.303 19.000 -0.163 0.000 0.805 344 A HN 0.465 nan 8.150 nan 0.000 0.449 345 A N -0.930 121.828 122.820 -0.103 0.000 1.854 345 A HA 0.519 4.840 4.320 0.001 0.000 0.214 345 A C 1.353 178.906 177.584 -0.053 0.000 1.192 345 A CA 1.814 53.826 52.037 -0.042 0.000 0.611 345 A CB -0.502 18.495 19.000 -0.006 0.000 0.832 345 A HN 1.475 nan 8.150 nan 0.000 0.442 346 A N -2.037 120.740 122.820 -0.071 0.000 2.534 346 A HA 0.649 4.970 4.320 0.001 0.000 0.300 346 A C -1.255 176.280 177.584 -0.082 0.000 1.223 346 A CA -0.653 51.323 52.037 -0.100 0.000 0.666 346 A CB 0.405 19.273 19.000 -0.220 0.000 1.316 346 A HN 0.098 nan 8.150 nan 0.000 0.468 347 E N -0.752 119.380 120.200 -0.113 0.000 2.285 347 E HA 0.473 4.824 4.350 0.001 0.000 0.254 347 E C 1.293 177.757 176.600 -0.227 0.000 1.011 347 E CA 0.004 56.379 56.400 -0.042 0.000 0.873 347 E CB 0.672 30.394 29.700 0.038 0.000 1.229 347 E HN 0.758 nan 8.360 nan 0.000 0.422 348 G N 0.936 109.677 108.800 -0.098 0.000 2.433 348 G HA2 -0.159 3.802 3.960 0.001 0.000 0.216 348 G HA3 -0.159 3.802 3.960 0.001 0.000 0.216 348 G C -1.084 173.713 174.900 -0.172 0.000 1.186 348 G CA 0.659 45.683 45.100 -0.126 0.000 0.779 348 G HN 0.356 nan 8.290 nan 0.000 0.543 349 P HA -0.127 nan 4.420 nan 0.000 0.217 349 P C -1.289 175.935 177.300 -0.126 0.000 1.162 349 P CA 2.205 65.253 63.100 -0.087 0.000 0.901 349 P CB -0.794 30.874 31.700 -0.053 0.000 0.793 350 P HA -0.141 nan 4.420 nan 0.000 0.215 350 P C 1.509 178.642 177.300 -0.278 0.000 1.153 350 P CA 1.243 64.106 63.100 -0.395 0.000 0.853 350 P CB -0.541 30.770 31.700 -0.648 0.000 0.788 351 I N -0.596 119.746 120.570 -0.379 0.000 2.226 351 I HA -0.147 4.023 4.170 0.001 0.000 0.245 351 I C 2.274 178.234 176.117 -0.261 0.000 1.100 351 I CA 1.713 62.756 61.300 -0.428 0.000 1.374 351 I CB -1.613 35.929 38.000 -0.763 0.000 1.057 351 I HN -0.057 nan 8.210 nan 0.000 0.413 352 V N -0.421 119.386 119.914 -0.178 0.000 2.809 352 V HA -0.004 4.116 4.120 0.001 0.000 0.256 352 V C 2.631 178.701 176.094 -0.040 0.000 1.080 352 V CA 1.225 63.472 62.300 -0.089 0.000 1.102 352 V CB -1.411 30.381 31.823 -0.052 0.000 0.705 352 V HN 0.258 nan 8.190 nan 0.000 0.475 353 A N 0.838 123.657 122.820 -0.002 0.000 1.898 353 A HA -0.066 4.254 4.320 0.001 0.000 0.216 353 A C 2.260 179.831 177.584 -0.022 0.000 1.181 353 A CA 2.017 54.117 52.037 0.105 0.000 0.620 353 A CB -0.551 18.642 19.000 0.321 0.000 0.819 353 A HN 0.616 nan 8.150 nan 0.000 0.442 354 L N -0.308 120.731 121.223 -0.306 0.000 2.056 354 L HA -0.111 4.230 4.340 0.001 0.000 0.207 354 L C 2.332 179.010 176.870 -0.320 0.000 1.078 354 L CA 1.390 55.736 54.840 -0.822 0.000 0.749 354 L CB -0.224 41.348 42.059 -0.811 0.000 0.901 354 L HN 0.194 nan 8.230 nan 0.000 0.433 355 V N 0.425 120.252 119.914 -0.145 0.000 2.287 355 V HA -0.309 3.812 4.120 0.001 0.000 0.248 355 V C 2.185 178.296 176.094 0.028 0.000 1.053 355 V CA 2.167 64.456 62.300 -0.020 0.000 1.027 355 V CB -0.696 31.123 31.823 -0.007 0.000 0.646 355 V HN 0.519 nan 8.190 nan 0.000 0.447 356 D N -1.321 119.101 120.400 0.038 0.000 2.144 356 D HA -0.172 4.469 4.640 0.001 0.000 0.199 356 D C 2.088 178.450 176.300 0.103 0.000 0.984 356 D CA 1.365 55.409 54.000 0.074 0.000 0.834 356 D CB -0.380 40.469 40.800 0.081 0.000 0.955 356 D HN 0.534 nan 8.370 nan 0.000 0.465 357 H N 0.765 119.864 119.070 0.049 0.000 2.357 357 H HA -0.010 4.547 4.556 0.001 0.000 0.301 357 H C 0.722 176.112 175.328 0.104 0.000 1.082 357 H CA 0.636 56.755 56.048 0.118 0.000 1.342 357 H CB -0.039 29.874 29.762 0.252 0.000 1.389 357 H HN -0.115 nan 8.280 nan 0.000 0.511 361 Y N 2.329 122.552 120.300 -0.128 0.000 2.242 361 Y HA -0.124 4.426 4.550 0.001 0.000 0.291 361 Y C 2.464 178.337 175.900 -0.044 0.000 1.137 361 Y CA 2.735 60.764 58.100 -0.119 0.000 1.181 361 Y CB -0.019 38.351 38.460 -0.150 0.000 0.989 361 Y HN 0.258 nan 8.280 nan 0.000 0.527 362 T N -2.594 112.075 114.554 0.192 0.000 3.051 362 T HA -0.108 4.243 4.350 0.001 0.000 0.269 362 T C 1.462 176.224 174.700 0.103 0.000 1.127 362 T CA 1.233 63.435 62.100 0.169 0.000 1.107 362 T CB -0.265 68.753 68.868 0.250 0.000 0.898 362 T HN 0.313 nan 8.240 nan 0.000 0.517 363 K N 0.598 121.025 120.400 0.046 0.000 2.393 363 K HA 0.181 4.502 4.320 0.001 0.000 0.193 363 K C 0.383 176.956 176.600 -0.044 0.000 1.026 363 K CA 0.006 56.304 56.287 0.017 0.000 1.064 363 K CB 0.293 32.806 32.500 0.022 0.000 0.833 363 K HN 0.366 nan 8.250 nan 0.000 0.521 364 K N 2.337 122.664 120.400 -0.121 0.000 2.368 364 K HA 0.111 4.432 4.320 0.001 0.000 0.282 364 K C -2.518 174.008 176.600 -0.122 0.000 1.035 364 K CA -1.632 54.553 56.287 -0.169 0.000 0.973 364 K CB 0.225 32.521 32.500 -0.340 0.000 0.957 364 K HN -0.165 nan 8.250 nan 0.000 0.474 365 P HA -0.070 nan 4.420 nan 0.000 0.262 365 P C -0.837 176.421 177.300 -0.069 0.000 1.182 365 P CA 0.284 63.347 63.100 -0.063 0.000 0.761 365 P CB 0.391 32.060 31.700 -0.051 0.000 0.795 366 E N 2.475 122.644 120.200 -0.052 0.000 2.351 366 E HA 0.070 4.421 4.350 0.001 0.000 0.266 366 E C 0.088 176.663 176.600 -0.040 0.000 1.031 366 E CA -0.133 56.239 56.400 -0.047 0.000 0.911 366 E CB 0.308 29.984 29.700 -0.040 0.000 0.986 366 E HN 0.383 nan 8.360 nan 0.000 0.446 367 L N 2.386 123.586 121.223 -0.037 0.000 2.456 367 L HA 0.164 4.505 4.340 0.001 0.000 0.257 367 L C 0.151 177.009 176.870 -0.020 0.000 1.162 367 L CA -0.928 53.895 54.840 -0.027 0.000 0.808 367 L CB 0.754 42.799 42.059 -0.023 0.000 1.136 367 L HN 0.293 nan 8.230 nan 0.000 0.466 368 V N 2.743 122.647 119.914 -0.017 0.000 2.486 368 V HA -0.055 4.065 4.120 0.001 0.000 0.290 368 V C 0.634 176.723 176.094 -0.009 0.000 0.991 368 V CA 0.034 62.326 62.300 -0.014 0.000 1.142 368 V CB -0.612 31.204 31.823 -0.011 0.000 0.926 368 V HN 0.533 nan 8.190 nan 0.000 0.472 369 R N 4.271 124.766 120.500 -0.010 0.000 2.248 369 R HA 0.195 4.536 4.340 0.001 0.000 0.337 369 R C 0.798 177.098 176.300 0.000 0.000 1.085 369 R CA 0.034 56.132 56.100 -0.002 0.000 0.934 369 R CB 0.696 30.993 30.300 -0.006 0.000 1.034 369 R HN 0.936 nan 8.270 nan 0.000 0.465 370 S N 4.163 119.866 115.700 0.004 0.000 2.572 370 S HA 0.124 4.595 4.470 0.001 0.000 0.262 370 S C -1.149 173.453 174.600 0.003 0.000 1.375 370 S CA -1.017 57.184 58.200 0.002 0.000 0.996 370 S CB -0.337 62.864 63.200 0.002 0.000 0.892 370 S HN 0.460 nan 8.310 nan 0.000 0.562 374 P HA 0.608 nan 4.420 nan 0.000 0.266 374 P C -1.025 176.300 177.300 0.042 0.000 1.195 374 P CA 0.090 63.205 63.100 0.025 0.000 0.768 374 P CB 0.243 31.953 31.700 0.017 0.000 0.838 375 L N 4.026 125.272 121.223 0.037 0.000 2.381 375 L HA 0.522 4.863 4.340 0.001 0.000 0.268 375 L C -1.802 175.082 176.870 0.024 0.000 0.997 375 L CA -2.027 52.840 54.840 0.044 0.000 0.818 375 L CB 1.934 44.016 42.059 0.039 0.000 1.310 375 L HN 0.383 nan 8.230 nan 0.000 0.416 379 K N 2.467 122.919 120.400 0.086 0.000 2.349 379 K HA 0.239 4.560 4.320 0.001 0.000 0.288 379 K C -0.070 176.508 176.600 -0.037 0.000 1.058 379 K CA -0.513 55.784 56.287 0.017 0.000 0.953 379 K CB 0.719 33.178 32.500 -0.067 0.000 0.997 379 K HN 0.391 nan 8.250 nan 0.000 0.477 380 K N 5.673 125.975 120.400 -0.164 0.000 2.339 380 K HA 0.107 4.427 4.320 0.001 0.000 0.286 380 K C -0.631 175.722 176.600 -0.412 0.000 1.050 380 K CA -0.334 55.598 56.287 -0.592 0.000 0.956 380 K CB 0.466 32.636 32.500 -0.549 0.000 0.990 380 K HN 0.591 nan 8.250 nan 0.000 0.475 381 L N 6.551 127.512 121.223 -0.436 0.000 2.315 381 L HA 0.305 4.646 4.340 0.001 0.000 0.278 381 L C 0.414 177.013 176.870 -0.451 0.000 1.088 381 L CA -0.507 54.103 54.840 -0.383 0.000 0.899 381 L CB 0.399 42.261 42.059 -0.328 0.000 1.277 381 L HN 0.556 nan 8.230 nan 0.000 0.431 382 R N 1.851 122.114 120.500 -0.395 0.000 2.707 382 R HA 0.473 4.814 4.340 0.001 0.000 0.270 382 R C -1.067 174.951 176.300 -0.471 0.000 1.083 382 R CA -0.087 55.832 56.100 -0.301 0.000 1.182 382 R CB 0.750 30.948 30.300 -0.169 0.000 1.084 382 R HN 0.184 nan 8.270 nan 0.000 0.528 383 F N 0.376 120.330 119.950 0.007 0.000 2.536 383 F HA 0.266 4.795 4.527 0.003 0.000 0.322 383 F C -0.152 175.664 175.800 0.027 0.000 1.144 383 F CA -0.951 57.067 58.000 0.029 0.000 0.924 383 F CB 1.608 40.657 39.000 0.082 0.000 1.181 383 F HN 0.278 nan 8.300 nan 0.000 0.438 384 N N 4.789 123.610 118.700 0.201 0.000 2.406 384 N HA 0.270 5.010 4.740 0.001 0.000 0.251 384 N C -0.549 175.039 175.510 0.130 0.000 1.069 384 N CA -0.207 52.916 53.050 0.122 0.000 0.947 384 N CB 1.205 39.733 38.487 0.068 0.000 1.111 384 N HN 0.313 nan 8.380 nan 0.000 0.497 385 I N 1.966 122.601 120.570 0.109 0.000 2.395 385 I HA 0.163 4.334 4.170 0.001 0.000 0.289 385 I C 1.311 177.464 176.117 0.059 0.000 1.023 385 I CA -0.261 61.090 61.300 0.085 0.000 1.350 385 I CB 0.481 38.527 38.000 0.076 0.000 1.409 385 I HN 0.378 nan 8.210 nan 0.000 0.507 386 T N 3.076 117.661 114.554 0.051 0.000 2.940 386 T HA 0.492 4.842 4.350 0.001 0.000 0.288 386 T C -2.139 172.580 174.700 0.033 0.000 1.045 386 T CA -1.882 60.242 62.100 0.039 0.000 1.018 386 T CB 2.062 70.951 68.868 0.036 0.000 1.151 386 T HN 0.207 nan 8.240 nan 0.000 0.529 387 P HA -0.077 nan 4.420 nan 0.000 0.216 387 P C 1.367 178.681 177.300 0.023 0.000 1.150 387 P CA 0.984 64.097 63.100 0.023 0.000 0.837 387 P CB 0.180 31.891 31.700 0.018 0.000 0.786 388 E N -0.423 119.792 120.200 0.025 0.000 2.072 388 E HA -0.141 4.209 4.350 0.001 0.000 0.191 388 E C 1.908 178.528 176.600 0.034 0.000 0.985 388 E CA 0.898 57.314 56.400 0.027 0.000 0.801 388 E CB -0.408 29.309 29.700 0.027 0.000 0.750 388 E HN 0.151 nan 8.360 nan 0.000 0.452 389 I N 0.736 121.329 120.570 0.039 0.000 2.252 389 I HA -0.233 3.938 4.170 0.001 0.000 0.245 389 I C 2.529 178.665 176.117 0.030 0.000 1.102 389 I CA 0.919 62.246 61.300 0.044 0.000 1.385 389 I CB -0.209 37.821 38.000 0.051 0.000 1.064 389 I HN 0.036 nan 8.210 nan 0.000 0.414 390 K N 1.679 122.095 120.400 0.027 0.000 2.063 390 K HA -0.246 4.075 4.320 0.001 0.000 0.208 390 K C 1.814 178.422 176.600 0.013 0.000 1.048 390 K CA 1.945 58.243 56.287 0.019 0.000 0.928 390 K CB -0.377 32.136 32.500 0.022 0.000 0.713 390 K HN 0.178 nan 8.250 nan 0.000 0.442 391 N N 0.497 119.207 118.700 0.016 0.000 2.120 391 N HA -0.152 4.589 4.740 0.001 0.000 0.188 391 N C 1.127 176.645 175.510 0.012 0.000 1.024 391 N CA 1.885 54.943 53.050 0.012 0.000 0.852 391 N CB -0.196 38.300 38.487 0.015 0.000 1.003 391 N HN 0.233 nan 8.380 nan 0.000 0.424 392 D N 0.043 120.457 120.400 0.023 0.000 2.144 392 D HA -0.097 4.544 4.640 0.001 0.000 0.199 392 D C 1.967 178.268 176.300 0.001 0.000 0.984 392 D CA 0.776 54.795 54.000 0.031 0.000 0.834 392 D CB -0.155 40.686 40.800 0.069 0.000 0.955 392 D HN 0.438 nan 8.370 nan 0.000 0.465 393 I N 1.228 121.791 120.570 -0.012 0.000 2.226 393 I HA -0.206 3.965 4.170 0.001 0.000 0.245 393 I C 2.309 178.401 176.117 -0.042 0.000 1.100 393 I CA 0.924 62.198 61.300 -0.044 0.000 1.374 393 I CB -0.117 37.859 38.000 -0.040 0.000 1.057 393 I HN -0.104 nan 8.210 nan 0.000 0.413 394 E N 1.020 121.207 120.200 -0.022 0.000 2.077 394 E HA -0.186 4.164 4.350 0.001 0.000 0.193 394 E C 2.123 178.708 176.600 -0.025 0.000 0.989 394 E CA 1.009 57.397 56.400 -0.020 0.000 0.800 394 E CB -0.219 29.476 29.700 -0.008 0.000 0.746 394 E HN 0.356 nan 8.360 nan 0.000 0.452 395 K N 0.695 121.083 120.400 -0.020 0.000 2.097 395 K HA -0.024 4.297 4.320 0.001 0.000 0.206 395 K C 2.044 178.622 176.600 -0.037 0.000 1.049 395 K CA 1.104 57.378 56.287 -0.022 0.000 0.933 395 K CB -0.549 31.946 32.500 -0.008 0.000 0.717 395 K HN 0.105 nan 8.250 nan 0.000 0.442 396 A N 1.676 124.465 122.820 -0.053 0.000 1.930 396 A HA -0.159 4.162 4.320 0.001 0.000 0.217 396 A C 2.114 179.645 177.584 -0.089 0.000 1.175 396 A CA 1.479 53.463 52.037 -0.088 0.000 0.627 396 A CB -0.274 18.645 19.000 -0.136 0.000 0.815 396 A HN 0.264 nan 8.150 nan 0.000 0.443 397 K N -0.470 119.887 120.400 -0.072 0.000 2.026 397 K HA -0.186 4.135 4.320 0.001 0.000 0.208 397 K C 2.349 178.918 176.600 -0.052 0.000 1.048 397 K CA 1.729 57.979 56.287 -0.061 0.000 0.929 397 K CB -0.232 32.243 32.500 -0.042 0.000 0.713 397 K HN 0.616 nan 8.250 nan 0.000 0.439 398 Q N 0.510 120.284 119.800 -0.043 0.000 2.061 398 Q HA -0.214 4.127 4.340 0.001 0.000 0.204 398 Q C 2.015 177.986 176.000 -0.049 0.000 0.984 398 Q CA 1.781 57.561 55.803 -0.038 0.000 0.846 398 Q CB -0.258 28.462 28.738 -0.031 0.000 0.902 398 Q HN 0.289 nan 8.270 nan 0.000 0.421 399 N N 0.528 119.196 118.700 -0.054 0.000 2.084 399 N HA -0.188 4.553 4.740 0.001 0.000 0.190 399 N C 1.596 177.061 175.510 -0.075 0.000 1.030 399 N CA 0.795 53.812 53.050 -0.056 0.000 0.849 399 N CB -0.179 38.278 38.487 -0.050 0.000 1.012 399 N HN 0.133 nan 8.380 nan 0.000 0.423 400 L N 0.240 121.404 121.223 -0.100 0.000 2.046 400 L HA -0.038 4.302 4.340 0.001 0.000 0.208 400 L C 2.371 179.156 176.870 -0.141 0.000 1.077 400 L CA 1.693 56.450 54.840 -0.139 0.000 0.747 400 L CB -1.393 40.581 42.059 -0.140 0.000 0.896 400 L HN 0.265 nan 8.230 nan 0.000 0.432 401 S N -0.803 114.838 115.700 -0.098 0.000 2.370 401 S HA -0.102 4.369 4.470 0.001 0.000 0.226 401 S C 1.317 175.862 174.600 -0.091 0.000 1.033 401 S CA 0.682 58.830 58.200 -0.088 0.000 1.011 401 S CB -0.433 62.739 63.200 -0.048 0.000 0.852 401 S HN 0.339 nan 8.310 nan 0.000 0.457 405 Q N 1.625 121.347 119.800 -0.129 0.000 2.167 405 Q HA -0.247 4.094 4.340 0.001 0.000 0.202 405 Q C 1.173 177.153 176.000 -0.034 0.000 0.970 405 Q CA 2.357 58.116 55.803 -0.073 0.000 0.855 405 Q CB 0.088 28.795 28.738 -0.052 0.000 0.911 405 Q HN 0.484 nan 8.270 nan 0.000 0.438 406 D N -0.323 120.071 120.400 -0.011 0.000 2.347 406 D HA -0.029 4.612 4.640 0.001 0.000 0.213 406 D C -0.047 176.338 176.300 0.142 0.000 0.985 406 D CA -0.018 54.019 54.000 0.061 0.000 0.879 406 D CB 0.171 41.007 40.800 0.059 0.000 0.919 406 D HN 0.106 nan 8.370 nan 0.000 0.526 407 L N 0.981 122.247 121.223 0.072 0.000 2.290 407 L HA 0.324 4.665 4.340 0.001 0.000 0.284 407 L C -0.930 175.929 176.870 -0.019 0.000 1.078 407 L CA -0.186 54.687 54.840 0.054 0.000 0.815 407 L CB 1.401 43.469 42.059 0.015 0.000 1.162 407 L HN -0.172 nan 8.230 nan 0.000 0.435 408 D N 5.400 125.770 120.400 -0.050 0.000 2.440 408 D HA 0.458 5.098 4.640 0.001 0.000 0.239 408 D C -0.587 175.662 176.300 -0.085 0.000 1.084 408 D CA -0.158 53.806 54.000 -0.061 0.000 0.843 408 D CB 0.567 41.340 40.800 -0.044 0.000 1.097 408 D HN 0.463 nan 8.370 nan 0.000 0.531 413 T N 5.480 120.196 114.554 0.270 0.000 2.910 413 T HA 0.347 4.698 4.350 0.001 0.000 0.323 413 T C -0.451 174.441 174.700 0.321 0.000 1.091 413 T CA 0.167 62.434 62.100 0.279 0.000 0.960 413 T CB -0.271 68.690 68.868 0.155 0.000 1.024 413 T HN 0.383 nan 8.240 nan 0.000 0.509 414 F N 6.399 126.506 119.950 0.262 0.000 2.468 414 F HA 0.141 4.669 4.527 0.001 0.000 0.356 414 F C 1.754 177.578 175.800 0.039 0.000 1.167 414 F CA -0.626 57.469 58.000 0.158 0.000 1.135 414 F CB 0.220 39.389 39.000 0.281 0.000 1.197 414 F HN 0.666 nan 8.300 nan 0.000 0.569 415 H N 4.011 122.821 119.070 -0.433 0.000 2.563 415 H HA -0.006 4.551 4.556 0.001 0.000 0.264 415 H C 1.184 176.247 175.328 -0.442 0.000 0.957 415 H CA 0.691 56.526 56.048 -0.354 0.000 1.173 415 H CB -0.434 29.114 29.762 -0.356 0.000 1.420 415 H HN 0.656 nan 8.280 nan 0.000 0.551 416 H N 1.535 119.894 119.070 -1.185 0.000 2.319 416 H HA -0.039 4.518 4.556 0.001 0.000 0.299 416 H C 0.475 175.709 175.328 -0.156 0.000 1.092 416 H CA 1.794 57.366 56.048 -0.793 0.000 1.302 416 H CB -0.133 29.007 29.762 -1.037 0.000 1.373 416 H HN 0.467 nan 8.280 nan 0.000 0.497 417 F N -2.684 117.307 119.950 0.068 0.000 2.817 417 F HA 0.624 5.152 4.527 0.001 0.000 0.317 417 F C 0.087 176.085 175.800 0.329 0.000 1.168 417 F CA -0.649 57.475 58.000 0.208 0.000 0.911 417 F CB 0.967 40.079 39.000 0.187 0.000 1.337 417 F HN 0.041 nan 8.300 nan 0.000 0.464 418 G N 0.434 109.557 108.800 0.539 0.000 3.340 418 G HA2 0.310 4.271 3.960 0.001 0.000 0.176 418 G HA3 0.310 4.271 3.960 0.001 0.000 0.176 418 G C -0.216 174.873 174.900 0.315 0.000 1.103 418 G CA -0.722 44.575 45.100 0.327 0.000 0.779 418 G HN 0.641 nan 8.290 nan 0.000 0.673 419 K N 0.639 121.127 120.400 0.147 0.000 2.283 419 K HA -0.062 4.259 4.320 0.001 0.000 0.202 419 K C 2.096 178.727 176.600 0.052 0.000 1.048 419 K CA 1.543 57.878 56.287 0.081 0.000 0.948 419 K CB -0.042 32.485 32.500 0.045 0.000 0.742 419 K HN 0.521 nan 8.250 nan 0.000 0.458 420 D N 1.069 121.529 120.400 0.100 0.000 2.116 420 D HA -0.256 4.385 4.640 0.001 0.000 0.193 420 D C 1.754 178.057 176.300 0.005 0.000 0.998 420 D CA 1.269 55.308 54.000 0.066 0.000 0.836 420 D CB -0.702 40.165 40.800 0.112 0.000 0.951 420 D HN 0.178 nan 8.370 nan 0.000 0.449 421 F N 1.971 121.830 119.950 -0.151 0.000 2.051 421 F HA 0.050 4.577 4.527 0.001 0.000 0.296 421 F C -0.878 174.685 175.800 -0.395 0.000 1.122 421 F CA 0.543 58.322 58.000 -0.369 0.000 1.201 421 F CB -1.303 37.188 39.000 -0.849 0.000 0.978 421 F HN -0.023 nan 8.300 nan 0.000 0.472 422 P HA -0.203 nan 4.420 nan 0.000 0.216 422 P C 1.327 178.376 177.300 -0.417 0.000 1.153 422 P CA 2.337 65.021 63.100 -0.694 0.000 0.858 422 P CB -0.137 31.264 31.700 -0.497 0.000 0.789 423 K N -0.208 120.034 120.400 -0.262 0.000 2.103 423 K HA -0.109 4.212 4.320 0.001 0.000 0.207 423 K C 2.220 178.706 176.600 -0.189 0.000 1.048 423 K CA 1.950 58.139 56.287 -0.162 0.000 0.930 423 K CB -0.611 31.837 32.500 -0.086 0.000 0.716 423 K HN 0.244 nan 8.250 nan 0.000 0.444 424 S N 0.841 116.387 115.700 -0.257 0.000 2.474 424 S HA -0.059 4.412 4.470 0.001 0.000 0.235 424 S C 1.392 175.830 174.600 -0.270 0.000 0.997 424 S CA 0.797 58.864 58.200 -0.222 0.000 0.949 424 S CB 0.062 63.147 63.200 -0.192 0.000 0.766 424 S HN 0.167 nan 8.310 nan 0.000 0.517 425 E N 1.066 121.027 120.200 -0.398 0.000 2.476 425 E HA 0.196 4.547 4.350 0.001 0.000 0.196 425 E C -0.225 176.267 176.600 -0.180 0.000 1.029 425 E CA -0.056 56.151 56.400 -0.323 0.000 0.896 425 E CB 0.007 29.418 29.700 -0.481 0.000 1.012 425 E HN 0.592 nan 8.360 nan 0.000 0.475 426 K N 0.426 120.735 120.400 -0.152 0.000 3.117 426 K HA -0.179 4.142 4.320 0.001 0.000 0.269 426 K C -0.397 176.167 176.600 -0.060 0.000 1.098 426 K CA 0.379 56.616 56.287 -0.084 0.000 0.785 426 K CB -1.644 30.822 32.500 -0.057 0.000 1.242 426 K HN 0.120 nan 8.250 nan 0.000 0.491 427 L N 0.055 121.232 121.223 -0.077 0.000 2.362 427 L HA 0.327 4.668 4.340 0.001 0.000 0.271 427 L C 0.622 177.497 176.870 0.009 0.000 1.002 427 L CA -0.910 53.924 54.840 -0.010 0.000 0.818 427 L CB 1.942 44.028 42.059 0.044 0.000 1.298 427 L HN 0.069 nan 8.230 nan 0.000 0.420 428 S N 2.457 118.193 115.700 0.059 0.000 2.498 428 S HA 0.161 4.632 4.470 0.001 0.000 0.281 428 S C -1.677 172.990 174.600 0.112 0.000 1.265 428 S CA -0.939 57.307 58.200 0.077 0.000 1.071 428 S CB 0.877 64.138 63.200 0.103 0.000 0.894 428 S HN 0.371 nan 8.310 nan 0.000 0.491 429 P HA -0.096 nan 4.420 nan 0.000 0.215 429 P C 0.962 178.368 177.300 0.177 0.000 1.153 429 P CA 1.108 64.271 63.100 0.104 0.000 0.853 429 P CB 0.090 31.831 31.700 0.068 0.000 0.788 430 D N -0.833 119.671 120.400 0.173 0.000 2.117 430 D HA -0.134 4.507 4.640 0.001 0.000 0.197 430 D C 1.896 178.278 176.300 0.136 0.000 0.987 430 D CA 1.371 55.501 54.000 0.217 0.000 0.829 430 D CB -0.602 40.336 40.800 0.229 0.000 0.961 430 D HN -0.036 nan 8.370 nan 0.000 0.460 431 A N -0.471 122.428 122.820 0.132 0.000 1.902 431 A HA -0.102 4.219 4.320 0.001 0.000 0.217 431 A C 2.153 179.715 177.584 -0.037 0.000 1.181 431 A CA 1.112 53.156 52.037 0.012 0.000 0.623 431 A CB -1.178 17.916 19.000 0.157 0.000 0.818 431 A HN 0.414 nan 8.150 nan 0.000 0.443 432 F N 0.725 120.644 119.950 -0.050 0.000 2.095 432 F HA -0.187 4.341 4.527 0.001 0.000 0.298 432 F C 1.983 177.757 175.800 -0.044 0.000 1.104 432 F CA 1.894 59.875 58.000 -0.031 0.000 1.232 432 F CB -0.215 38.808 39.000 0.038 0.000 0.987 432 F HN 0.187 nan 8.300 nan 0.000 0.475 433 I N -0.123 120.576 120.570 0.216 0.000 2.226 433 I HA -0.297 3.874 4.170 0.001 0.000 0.245 433 I C 2.394 178.433 176.117 -0.129 0.000 1.100 433 I CA 1.033 62.346 61.300 0.021 0.000 1.374 433 I CB -0.591 37.314 38.000 -0.158 0.000 1.057 433 I HN 0.220 nan 8.210 nan 0.000 0.413 434 Q N 0.224 119.917 119.800 -0.178 0.000 2.119 434 Q HA -0.125 4.215 4.340 0.001 0.000 0.201 434 Q C 2.509 178.396 176.000 -0.187 0.000 0.972 434 Q CA 1.316 56.984 55.803 -0.225 0.000 0.847 434 Q CB -0.373 28.033 28.738 -0.553 0.000 0.903 434 Q HN 0.403 nan 8.270 nan 0.000 0.433 435 V N 1.117 120.897 119.914 -0.224 0.000 2.515 435 V HA -0.215 3.906 4.120 0.001 0.000 0.250 435 V C 2.344 178.410 176.094 -0.047 0.000 1.058 435 V CA 1.573 63.796 62.300 -0.129 0.000 1.064 435 V CB -0.912 30.769 31.823 -0.236 0.000 0.675 435 V HN 0.298 nan 8.190 nan 0.000 0.461 436 A N -0.122 122.622 122.820 -0.127 0.000 1.930 436 A HA -0.174 4.147 4.320 0.001 0.000 0.217 436 A C 2.133 179.706 177.584 -0.020 0.000 1.175 436 A CA 1.902 53.896 52.037 -0.071 0.000 0.627 436 A CB -0.506 18.428 19.000 -0.110 0.000 0.815 436 A HN 0.453 nan 8.150 nan 0.000 0.443 437 L N -0.596 120.602 121.223 -0.043 0.000 2.093 437 L HA -0.147 4.194 4.340 0.001 0.000 0.208 437 L C 2.288 179.209 176.870 0.085 0.000 1.085 437 L CA 1.955 56.791 54.840 -0.007 0.000 0.755 437 L CB -0.620 41.429 42.059 -0.016 0.000 0.904 437 L HN 0.334 nan 8.230 nan 0.000 0.435 438 Q N -0.697 119.156 119.800 0.089 0.000 2.124 438 Q HA -0.169 4.172 4.340 0.001 0.000 0.202 438 Q C 2.249 178.374 176.000 0.208 0.000 0.977 438 Q CA 1.667 57.560 55.803 0.151 0.000 0.850 438 Q CB -0.617 28.196 28.738 0.125 0.000 0.901 438 Q HN 0.498 nan 8.270 nan 0.000 0.429 439 L N 0.618 121.939 121.223 0.163 0.000 2.027 439 L HA -0.040 4.301 4.340 0.001 0.000 0.206 439 L C 2.123 179.103 176.870 0.184 0.000 1.074 439 L CA 2.060 56.982 54.840 0.136 0.000 0.745 439 L CB -0.899 41.222 42.059 0.103 0.000 0.898 439 L HN 0.105 nan 8.230 nan 0.000 0.433 440 A N -1.340 121.577 122.820 0.162 0.000 1.908 440 A HA -0.299 4.022 4.320 0.001 0.000 0.218 440 A C 2.326 180.010 177.584 0.166 0.000 1.181 440 A CA 1.967 54.114 52.037 0.184 0.000 0.627 440 A CB -1.263 17.804 19.000 0.112 0.000 0.818 440 A HN 0.627 nan 8.150 nan 0.000 0.445 441 Y N -1.674 118.683 120.300 0.095 0.000 2.145 441 Y HA -0.251 4.300 4.550 0.001 0.000 0.286 441 Y C 2.283 178.306 175.900 0.206 0.000 1.145 441 Y CA 2.177 60.368 58.100 0.151 0.000 1.148 441 Y CB -0.506 38.044 38.460 0.151 0.000 0.981 441 Y HN 0.427 nan 8.280 nan 0.000 0.507 442 Y N 0.880 121.327 120.300 0.244 0.000 2.224 442 Y HA -0.230 4.320 4.550 0.001 0.000 0.289 442 Y C 2.425 178.343 175.900 0.030 0.000 1.146 442 Y CA 1.841 60.031 58.100 0.149 0.000 1.182 442 Y CB -0.313 38.212 38.460 0.109 0.000 0.983 442 Y HN 0.016 nan 8.280 nan 0.000 0.524 443 R N -0.382 120.184 120.500 0.109 0.000 2.120 443 R HA -0.123 4.218 4.340 0.001 0.000 0.234 443 R C 2.097 178.309 176.300 -0.148 0.000 1.123 443 R CA 1.769 57.904 56.100 0.058 0.000 0.975 443 R CB -0.253 30.204 30.300 0.260 0.000 0.866 443 R HN 0.418 nan 8.270 nan 0.000 0.446 444 I N -1.414 118.912 120.570 -0.407 0.000 2.339 444 I HA -0.174 3.997 4.170 0.001 0.000 0.245 444 I C 1.232 176.849 176.117 -0.834 0.000 1.096 444 I CA 1.129 61.939 61.300 -0.816 0.000 1.408 444 I CB 0.013 37.299 38.000 -1.190 0.000 1.092 444 I HN 0.101 nan 8.210 nan 0.000 0.423 445 Y N 0.423 120.434 120.300 -0.482 0.000 2.478 445 Y HA 0.282 4.833 4.550 0.001 0.000 0.261 445 Y C 1.871 177.572 175.900 -0.332 0.000 1.127 445 Y CA 0.444 58.311 58.100 -0.389 0.000 1.288 445 Y CB 0.233 38.408 38.460 -0.473 0.000 1.084 445 Y HN 0.278 nan 8.280 nan 0.000 0.530 446 G N 0.781 109.335 108.800 -0.411 0.000 2.162 446 G HA2 -0.262 3.699 3.960 0.001 0.000 0.260 446 G HA3 -0.262 3.699 3.960 0.001 0.000 0.260 446 G C -0.003 174.569 174.900 -0.546 0.000 0.976 446 G CA 0.551 45.275 45.100 -0.627 0.000 0.655 446 G HN 0.485 nan 8.290 nan 0.000 0.533 447 Q N -1.582 118.096 119.800 -0.203 0.000 2.575 447 Q HA 0.795 5.135 4.340 0.001 0.000 0.290 447 Q C -0.329 175.946 176.000 0.459 0.000 0.963 447 Q CA -0.558 55.374 55.803 0.215 0.000 0.783 447 Q CB 1.050 29.888 28.738 0.167 0.000 1.467 447 Q HN 1.288 nan 8.270 nan 0.000 0.402 448 A N 0.419 123.498 122.820 0.431 0.000 2.257 448 A HA 0.824 5.145 4.320 0.001 0.000 0.289 448 A C 0.073 177.773 177.584 0.193 0.000 1.095 448 A CA 0.049 52.290 52.037 0.340 0.000 0.836 448 A CB 0.596 19.728 19.000 0.221 0.000 1.111 448 A HN 1.134 nan 8.150 nan 0.000 0.497 449 C N -1.690 117.600 119.300 -0.017 0.000 3.090 449 C HA 0.852 5.312 4.460 0.001 0.000 0.305 449 C C 0.408 175.380 174.990 -0.030 0.000 1.292 449 C CA -0.500 58.465 59.018 -0.089 0.000 1.482 449 C CB 0.644 28.162 27.740 -0.370 0.000 1.897 449 C HN 1.765 nan 8.230 nan 0.000 0.469 450 A N 2.194 125.038 122.820 0.039 0.000 2.545 450 A HA 0.509 4.830 4.320 0.001 0.000 0.253 450 A C 0.435 178.194 177.584 0.292 0.000 1.074 450 A CA 0.780 52.897 52.037 0.134 0.000 0.760 450 A CB -0.503 18.475 19.000 -0.038 0.000 1.005 450 A HN 1.044 nan 8.150 nan 0.000 0.506 451 T N 2.414 117.180 114.554 0.353 0.000 2.841 451 T HA 0.490 4.841 4.350 0.001 0.000 0.283 451 T C -1.057 173.767 174.700 0.208 0.000 1.000 451 T CA -0.068 62.198 62.100 0.277 0.000 0.977 451 T CB 0.988 69.920 68.868 0.106 0.000 0.979 451 T HN 0.518 nan 8.240 nan 0.000 0.446 452 Y N 2.092 122.275 120.300 -0.195 0.000 2.364 452 Y HA 0.567 5.117 4.550 0.001 0.000 0.340 452 Y C -0.174 175.579 175.900 -0.245 0.000 0.975 452 Y CA -0.694 57.073 58.100 -0.554 0.000 1.089 452 Y CB 1.083 38.778 38.460 -1.275 0.000 1.192 452 Y HN 0.656 nan 8.280 nan 0.000 0.454 453 E N 4.632 124.622 120.200 -0.350 0.000 2.241 453 E HA 0.265 4.616 4.350 0.001 0.000 0.263 453 E C -1.379 175.004 176.600 -0.362 0.000 0.882 453 E CA -0.719 55.605 56.400 -0.127 0.000 0.769 453 E CB 1.653 31.347 29.700 -0.010 0.000 1.185 453 E HN 0.622 nan 8.360 nan 0.000 0.415 454 S N 2.676 118.315 115.700 -0.102 0.000 2.549 454 S HA 0.455 4.926 4.470 0.001 0.000 0.283 454 S C -0.516 174.011 174.600 -0.121 0.000 1.320 454 S CA 0.010 58.150 58.200 -0.101 0.000 1.058 454 S CB 0.432 63.695 63.200 0.106 0.000 0.882 454 S HN 0.538 nan 8.310 nan 0.000 0.498 455 A N 3.941 126.666 122.820 -0.158 0.000 2.355 455 A HA 0.644 4.965 4.320 0.001 0.000 0.317 455 A C -0.068 177.476 177.584 -0.067 0.000 1.094 455 A CA -0.661 51.314 52.037 -0.104 0.000 0.764 455 A CB 1.514 20.438 19.000 -0.126 0.000 1.230 455 A HN 0.780 nan 8.150 nan 0.000 0.448 456 S N 1.885 117.567 115.700 -0.030 0.000 2.489 456 S HA 0.412 4.882 4.470 0.001 0.000 0.277 456 S C 0.213 174.813 174.600 -0.000 0.000 1.230 456 S CA -0.465 57.725 58.200 -0.016 0.000 1.053 456 S CB 0.081 63.276 63.200 -0.008 0.000 0.955 456 S HN 0.581 nan 8.310 nan 0.000 0.488 457 L N 5.076 126.305 121.223 0.011 0.000 2.928 457 L HA 0.299 4.640 4.340 0.001 0.000 0.246 457 L C 1.229 178.153 176.870 0.090 0.000 1.239 457 L CA 0.170 55.067 54.840 0.095 0.000 1.035 457 L CB -0.797 41.318 42.059 0.094 0.000 1.360 457 L HN 0.669 nan 8.230 nan 0.000 0.529 461 H N 4.267 123.430 119.070 0.156 0.000 3.107 461 H HA 0.189 4.745 4.556 0.001 0.000 0.301 461 H C 0.698 176.055 175.328 0.049 0.000 0.981 461 H CA 1.076 57.160 56.048 0.060 0.000 1.443 461 H CB 0.413 30.198 29.762 0.038 0.000 1.479 461 H HN 0.803 nan 8.280 nan 0.000 0.564 462 L N 3.040 124.107 121.223 -0.260 0.000 4.496 462 L HA -0.221 4.120 4.340 0.001 0.000 0.419 462 L C 0.992 177.799 176.870 -0.104 0.000 1.139 462 L CA 0.589 55.276 54.840 -0.254 0.000 0.975 462 L CB -1.824 39.984 42.059 -0.417 0.000 2.099 462 L HN 0.778 nan 8.230 nan 0.000 0.818 463 G N -0.085 108.703 108.800 -0.020 0.000 2.380 463 G HA2 0.341 4.302 3.960 0.001 0.000 0.242 463 G HA3 0.341 4.302 3.960 0.001 0.000 0.242 463 G C 0.772 175.660 174.900 -0.020 0.000 1.298 463 G CA -0.225 44.876 45.100 0.001 0.000 0.878 463 G HN 0.121 nan 8.290 nan 0.000 0.542 464 R N 0.378 120.842 120.500 -0.059 0.000 1.792 464 R HA 0.365 4.706 4.340 0.001 0.000 0.139 464 R C 1.023 177.282 176.300 -0.068 0.000 2.091 464 R CA 1.023 57.108 56.100 -0.025 0.000 1.697 464 R CB -0.520 29.807 30.300 0.046 0.000 1.340 464 R HN 0.698 nan 8.270 nan 0.000 0.481 465 T N -1.367 113.064 114.554 -0.205 0.000 2.841 465 T HA 0.586 4.937 4.350 0.001 0.000 0.296 465 T C -0.992 173.475 174.700 -0.388 0.000 1.166 465 T CA -0.796 61.172 62.100 -0.219 0.000 1.007 465 T CB 2.915 71.725 68.868 -0.097 0.000 1.253 465 T HN 0.083 nan 8.240 nan 0.000 0.511 466 D N -0.882 119.340 120.400 -0.297 0.000 2.664 466 D HA 0.514 5.155 4.640 0.001 0.000 0.292 466 D C -1.137 174.935 176.300 -0.379 0.000 1.214 466 D CA -0.248 53.559 54.000 -0.322 0.000 0.932 466 D CB 2.555 43.236 40.800 -0.198 0.000 1.420 466 D HN 0.674 nan 8.370 nan 0.000 0.471 467 T N 1.056 115.358 114.554 -0.420 0.000 2.795 467 T HA 0.554 4.905 4.350 0.001 0.000 0.282 467 T C 0.227 174.614 174.700 -0.521 0.000 0.980 467 T CA -0.383 61.315 62.100 -0.670 0.000 1.012 467 T CB 0.608 69.099 68.868 -0.630 0.000 0.936 467 T HN 0.156 nan 8.240 nan 0.000 0.457 468 I N 3.250 123.436 120.570 -0.640 0.000 2.336 468 I HA 0.362 4.533 4.170 0.001 0.000 0.292 468 I C 0.553 176.189 176.117 -0.802 0.000 0.991 468 I CA -0.673 60.157 61.300 -0.782 0.000 1.227 468 I CB 1.177 38.828 38.000 -0.581 0.000 1.366 468 I HN 0.321 nan 8.210 nan 0.000 0.466 469 R N 4.222 124.075 120.500 -1.078 0.000 2.204 469 R HA 0.263 4.603 4.340 0.001 0.000 0.341 469 R C 0.724 176.843 176.300 -0.302 0.000 1.035 469 R CA -0.212 55.643 56.100 -0.407 0.000 0.887 469 R CB 1.070 31.374 30.300 0.007 0.000 1.114 469 R HN 0.631 nan 8.270 nan 0.000 0.473 470 S N 1.534 117.194 115.700 -0.066 0.000 2.453 470 S HA -0.037 4.433 4.470 0.001 0.000 0.231 470 S C 0.900 175.582 174.600 0.138 0.000 1.005 470 S CA 0.379 58.656 58.200 0.128 0.000 0.949 470 S CB 0.345 63.642 63.200 0.162 0.000 0.774 470 S HN 0.666 nan 8.310 nan 0.000 0.510 471 A N 2.448 125.340 122.820 0.121 0.000 2.310 471 A HA 0.609 4.930 4.320 0.001 0.000 0.300 471 A C 0.478 178.158 177.584 0.160 0.000 1.269 471 A CA -0.541 51.574 52.037 0.130 0.000 0.909 471 A CB 0.162 19.234 19.000 0.120 0.000 1.144 471 A HN 0.348 nan 8.150 nan 0.000 0.540 472 S N 1.915 117.707 115.700 0.153 0.000 2.732 472 S HA 0.609 5.080 4.470 0.001 0.000 0.293 472 S C 0.807 175.476 174.600 0.115 0.000 1.159 472 S CA -0.637 57.662 58.200 0.165 0.000 0.847 472 S CB 0.489 63.807 63.200 0.197 0.000 1.169 472 S HN 0.407 nan 8.310 nan 0.000 0.501 473 I N 0.979 121.609 120.570 0.100 0.000 2.226 473 I HA -0.171 4.000 4.170 0.001 0.000 0.245 473 I C 1.708 177.857 176.117 0.054 0.000 1.100 473 I CA 1.513 62.844 61.300 0.053 0.000 1.374 473 I CB -0.343 37.678 38.000 0.035 0.000 1.057 473 I HN 0.664 nan 8.210 nan 0.000 0.413 474 D N 0.221 120.668 120.400 0.079 0.000 2.183 474 D HA -0.116 4.525 4.640 0.001 0.000 0.203 474 D C 2.375 178.738 176.300 0.105 0.000 0.969 474 D CA 1.699 55.746 54.000 0.079 0.000 0.842 474 D CB -0.053 40.793 40.800 0.077 0.000 0.957 474 D HN 0.371 nan 8.370 nan 0.000 0.484 475 S N 0.728 116.497 115.700 0.116 0.000 2.383 475 S HA -0.122 4.348 4.470 0.001 0.000 0.227 475 S C 2.059 176.718 174.600 0.099 0.000 1.026 475 S CA 0.370 58.658 58.200 0.146 0.000 0.981 475 S CB -0.475 62.808 63.200 0.137 0.000 0.818 475 S HN 0.123 nan 8.310 nan 0.000 0.472 476 L N 2.229 123.475 121.223 0.038 0.000 2.056 476 L HA 0.213 4.554 4.340 0.001 0.000 0.207 476 L C 2.723 179.528 176.870 -0.108 0.000 1.078 476 L CA 1.622 56.424 54.840 -0.064 0.000 0.749 476 L CB -1.316 40.726 42.059 -0.028 0.000 0.901 476 L HN 0.379 nan 8.230 nan 0.000 0.433 477 A N -0.993 121.814 122.820 -0.022 0.000 1.933 477 A HA -0.268 4.052 4.320 0.001 0.000 0.218 477 A C 2.239 179.821 177.584 -0.004 0.000 1.175 477 A CA 1.909 53.935 52.037 -0.017 0.000 0.628 477 A CB -1.093 17.921 19.000 0.024 0.000 0.814 477 A HN 0.551 nan 8.150 nan 0.000 0.444 478 F N 1.268 121.166 119.950 -0.087 0.000 2.128 478 F HA -0.130 4.398 4.527 0.001 0.000 0.295 478 F C 2.309 178.040 175.800 -0.115 0.000 1.100 478 F CA 1.990 59.941 58.000 -0.082 0.000 1.260 478 F CB -0.613 38.349 39.000 -0.064 0.000 1.009 478 F HN 0.120 nan 8.300 nan 0.000 0.476 479 V N -0.992 118.604 119.914 -0.530 0.000 2.490 479 V HA -0.220 3.901 4.120 0.001 0.000 0.250 479 V C 2.234 177.953 176.094 -0.626 0.000 1.061 479 V CA 2.063 63.958 62.300 -0.674 0.000 1.064 479 V CB -1.096 30.447 31.823 -0.468 0.000 0.670 479 V HN 0.350 nan 8.190 nan 0.000 0.461 480 K N 1.343 121.402 120.400 -0.568 0.000 2.031 480 K HA 0.144 4.465 4.320 0.001 0.000 0.205 480 K C 1.565 178.044 176.600 -0.203 0.000 1.049 480 K CA 0.963 57.028 56.287 -0.370 0.000 0.939 480 K CB -0.622 31.724 32.500 -0.257 0.000 0.717 480 K HN 0.642 nan 8.250 nan 0.000 0.438 484 D N 2.128 122.515 120.400 -0.023 0.000 2.380 484 D HA 0.317 4.958 4.640 0.001 0.000 0.230 484 D C 1.668 177.965 176.300 -0.004 0.000 1.154 484 D CA 0.214 54.209 54.000 -0.008 0.000 0.859 484 D CB 1.393 42.184 40.800 -0.016 0.000 1.045 484 D HN 0.135 nan 8.370 nan 0.000 0.495 485 S N 1.445 117.147 115.700 0.003 0.000 2.727 485 S HA -0.097 4.374 4.470 0.001 0.000 0.226 485 S C 1.356 175.959 174.600 0.006 0.000 0.963 485 S CA 0.630 58.833 58.200 0.005 0.000 0.950 485 S CB -0.418 62.786 63.200 0.006 0.000 0.779 485 S HN 0.514 nan 8.310 nan 0.000 0.532 486 T N -2.446 112.110 114.554 0.004 0.000 3.010 486 T HA 0.350 4.701 4.350 0.001 0.000 0.257 486 T C 0.236 174.938 174.700 0.003 0.000 1.020 486 T CA -0.234 61.868 62.100 0.004 0.000 0.938 486 T CB -0.030 68.840 68.868 0.004 0.000 1.049 486 T HN 0.160 nan 8.240 nan 0.000 0.522 487 V N 3.770 123.684 119.914 0.001 0.000 2.439 487 V HA 0.432 4.553 4.120 0.001 0.000 0.282 487 V C -2.365 173.731 176.094 0.003 0.000 1.039 487 V CA -2.163 60.137 62.300 -0.001 0.000 0.913 487 V CB 1.237 33.056 31.823 -0.006 0.000 0.983 487 V HN 0.224 nan 8.190 nan 0.000 0.460 488 P HA 0.142 nan 4.420 nan 0.000 0.269 488 P C 0.792 178.081 177.300 -0.018 0.000 1.209 488 P CA -0.109 62.990 63.100 -0.002 0.000 0.776 488 P CB 0.689 32.383 31.700 -0.011 0.000 0.876 489 E N 1.295 121.490 120.200 -0.009 0.000 2.110 489 E HA -0.250 4.100 4.350 0.001 0.000 0.193 489 E C 1.542 177.988 176.600 -0.257 0.000 0.988 489 E CA 1.333 57.713 56.400 -0.034 0.000 0.804 489 E CB -0.087 29.725 29.700 0.187 0.000 0.745 489 E HN 0.514 nan 8.360 nan 0.000 0.458 490 Q N 0.689 120.272 119.800 -0.361 0.000 2.135 490 Q HA -0.206 4.135 4.340 0.001 0.000 0.204 490 Q C 1.987 177.890 176.000 -0.162 0.000 0.981 490 Q CA 1.433 57.014 55.803 -0.369 0.000 0.856 490 Q CB -0.202 28.409 28.738 -0.213 0.000 0.902 490 Q HN 0.298 nan 8.270 nan 0.000 0.425 491 Q N 0.547 120.294 119.800 -0.088 0.000 2.123 491 Q HA -0.128 4.213 4.340 0.001 0.000 0.199 491 Q C 1.481 177.484 176.000 0.005 0.000 0.966 491 Q CA 1.002 56.786 55.803 -0.031 0.000 0.845 491 Q CB 0.151 28.880 28.738 -0.015 0.000 0.907 491 Q HN 0.290 nan 8.270 nan 0.000 0.439 492 K N -0.344 120.065 120.400 0.016 0.000 2.097 492 K HA -0.107 4.214 4.320 0.001 0.000 0.206 492 K C 2.020 178.698 176.600 0.131 0.000 1.049 492 K CA 1.343 57.694 56.287 0.106 0.000 0.933 492 K CB 0.021 32.586 32.500 0.107 0.000 0.717 492 K HN 0.078 nan 8.250 nan 0.000 0.442 493 V N 2.058 121.992 119.914 0.034 0.000 2.343 493 V HA -0.240 3.881 4.120 0.001 0.000 0.247 493 V C 2.012 178.104 176.094 -0.004 0.000 1.051 493 V CA 1.785 64.097 62.300 0.021 0.000 1.036 493 V CB -0.449 31.363 31.823 -0.017 0.000 0.654 493 V HN 0.339 nan 8.190 nan 0.000 0.451 494 E N 0.127 120.324 120.200 -0.006 0.000 2.077 494 E HA -0.198 4.152 4.350 0.001 0.000 0.193 494 E C 2.247 178.846 176.600 -0.001 0.000 0.989 494 E CA 1.295 57.691 56.400 -0.007 0.000 0.800 494 E CB -0.246 29.452 29.700 -0.004 0.000 0.746 494 E HN 0.497 nan 8.360 nan 0.000 0.452 495 L N 0.873 122.123 121.223 0.046 0.000 2.083 495 L HA -0.177 4.164 4.340 0.001 0.000 0.209 495 L C 2.607 179.457 176.870 -0.033 0.000 1.083 495 L CA 0.694 55.592 54.840 0.096 0.000 0.752 495 L CB -0.335 41.865 42.059 0.235 0.000 0.899 495 L HN 0.207 nan 8.230 nan 0.000 0.433 496 L N -0.218 120.885 121.223 -0.199 0.000 2.005 496 L HA -0.215 4.125 4.340 0.001 0.000 0.207 496 L C 2.956 179.568 176.870 -0.430 0.000 1.072 496 L CA 1.414 55.777 54.840 -0.795 0.000 0.744 496 L CB -0.186 41.516 42.059 -0.595 0.000 0.895 496 L HN 0.168 nan 8.230 nan 0.000 0.433 497 R N -0.194 120.188 120.500 -0.197 0.000 2.096 497 R HA -0.222 4.119 4.340 0.001 0.000 0.235 497 R C 2.342 178.595 176.300 -0.079 0.000 1.127 497 R CA 1.688 57.723 56.100 -0.108 0.000 0.968 497 R CB -0.329 29.941 30.300 -0.050 0.000 0.861 497 R HN 0.364 nan 8.270 nan 0.000 0.440 498 K N 0.722 121.083 120.400 -0.065 0.000 2.097 498 K HA -0.082 4.239 4.320 0.001 0.000 0.205 498 K C 2.052 178.640 176.600 -0.019 0.000 1.050 498 K CA 1.231 57.505 56.287 -0.022 0.000 0.938 498 K CB -0.026 32.474 32.500 0.000 0.000 0.718 498 K HN 0.152 nan 8.250 nan 0.000 0.442 499 A N 0.449 123.227 122.820 -0.070 0.000 1.898 499 A HA -0.078 4.242 4.320 0.001 0.000 0.216 499 A C 2.169 179.737 177.584 -0.026 0.000 1.181 499 A CA 1.363 53.375 52.037 -0.042 0.000 0.620 499 A CB -0.458 18.481 19.000 -0.103 0.000 0.819 499 A HN 0.159 nan 8.150 nan 0.000 0.442 500 V N -0.004 119.854 119.914 -0.094 0.000 2.427 500 V HA -0.214 3.907 4.120 0.001 0.000 0.248 500 V C 2.697 178.825 176.094 0.057 0.000 1.051 500 V CA 1.887 64.170 62.300 -0.028 0.000 1.048 500 V CB -0.664 31.126 31.823 -0.055 0.000 0.666 500 V HN 0.511 nan 8.190 nan 0.000 0.456 501 Q N 0.095 119.915 119.800 0.033 0.000 2.119 501 Q HA -0.077 4.264 4.340 0.001 0.000 0.201 501 Q C 2.424 178.470 176.000 0.077 0.000 0.972 501 Q CA 1.856 57.690 55.803 0.051 0.000 0.847 501 Q CB -0.817 27.939 28.738 0.030 0.000 0.903 501 Q HN 0.633 nan 8.270 nan 0.000 0.433 502 A N 0.617 123.488 122.820 0.084 0.000 1.933 502 A HA -0.217 4.104 4.320 0.001 0.000 0.218 502 A C 2.047 179.718 177.584 0.145 0.000 1.175 502 A CA 1.602 53.702 52.037 0.106 0.000 0.628 502 A CB -0.754 18.311 19.000 0.109 0.000 0.814 502 A HN 0.428 nan 8.150 nan 0.000 0.444 503 H N -0.349 118.765 119.070 0.074 0.000 2.389 503 H HA -0.050 4.507 4.556 0.001 0.000 0.299 503 H C 2.297 177.674 175.328 0.082 0.000 1.081 503 H CA 1.681 57.774 56.048 0.074 0.000 1.345 503 H CB -0.085 29.696 29.762 0.032 0.000 1.393 503 H HN 0.535 nan 8.280 nan 0.000 0.520 504 R N 0.337 120.943 120.500 0.177 0.000 2.081 504 R HA -0.092 4.249 4.340 0.001 0.000 0.235 504 R C 2.437 178.777 176.300 0.067 0.000 1.131 504 R CA 1.252 57.426 56.100 0.122 0.000 0.960 504 R CB -0.205 30.159 30.300 0.106 0.000 0.856 504 R HN 0.289 nan 8.270 nan 0.000 0.436 505 A N -0.067 122.792 122.820 0.064 0.000 1.902 505 A HA -0.219 4.102 4.320 0.001 0.000 0.217 505 A C 2.059 179.660 177.584 0.028 0.000 1.181 505 A CA 1.305 53.366 52.037 0.041 0.000 0.623 505 A CB -0.927 18.095 19.000 0.037 0.000 0.818 505 A HN 0.627 nan 8.150 nan 0.000 0.443 506 Y N 0.753 120.974 120.300 -0.132 0.000 2.224 506 Y HA -0.210 4.341 4.550 0.001 0.000 0.289 506 Y C 2.758 178.537 175.900 -0.201 0.000 1.146 506 Y CA 1.720 59.698 58.100 -0.203 0.000 1.182 506 Y CB -0.089 38.219 38.460 -0.253 0.000 0.983 506 Y HN 0.359 nan 8.280 nan 0.000 0.524 507 T N 0.009 114.575 114.554 0.020 0.000 2.708 507 T HA -0.190 4.160 4.350 0.001 0.000 0.266 507 T C 1.229 175.945 174.700 0.028 0.000 1.037 507 T CA 1.582 63.672 62.100 -0.017 0.000 1.146 507 T CB -0.372 68.487 68.868 -0.014 0.000 0.865 507 T HN 0.383 nan 8.240 nan 0.000 0.435 508 D N 0.941 121.361 120.400 0.034 0.000 2.123 508 D HA -0.052 4.588 4.640 0.001 0.000 0.196 508 D C 2.405 178.727 176.300 0.037 0.000 0.992 508 D CA 0.944 54.965 54.000 0.035 0.000 0.833 508 D CB -0.214 40.606 40.800 0.035 0.000 0.954 508 D HN 0.333 nan 8.370 nan 0.000 0.455 509 R N 0.598 121.108 120.500 0.017 0.000 2.075 509 R HA -0.018 4.323 4.340 0.001 0.000 0.232 509 R C 2.336 178.659 176.300 0.038 0.000 1.126 509 R CA 1.146 57.247 56.100 0.001 0.000 0.963 509 R CB -0.282 29.940 30.300 -0.130 0.000 0.858 509 R HN 0.095 nan 8.270 nan 0.000 0.435 510 A N 2.039 124.889 122.820 0.050 0.000 1.902 510 A HA -0.155 4.166 4.320 0.001 0.000 0.217 510 A C 2.203 179.825 177.584 0.063 0.000 1.181 510 A CA 1.600 53.669 52.037 0.054 0.000 0.623 510 A CB -0.696 18.328 19.000 0.039 0.000 0.818 510 A HN 0.487 nan 8.150 nan 0.000 0.443 511 I N -1.936 118.669 120.570 0.058 0.000 2.756 511 I HA -0.096 4.075 4.170 0.001 0.000 0.262 511 I C 1.620 177.815 176.117 0.130 0.000 1.225 511 I CA 1.411 62.751 61.300 0.066 0.000 1.472 511 I CB -0.228 37.789 38.000 0.027 0.000 1.094 511 I HN 0.399 nan 8.210 nan 0.000 0.454 512 R N 1.407 122.012 120.500 0.174 0.000 2.609 512 R HA 0.456 4.797 4.340 0.001 0.000 0.326 512 R C 1.000 177.574 176.300 0.458 0.000 1.090 512 R CA 0.269 56.550 56.100 0.302 0.000 1.072 512 R CB -0.002 30.405 30.300 0.179 0.000 1.330 512 R HN 0.286 nan 8.270 nan 0.000 0.572 513 G N 1.232 110.247 108.800 0.358 0.000 2.198 513 G HA2 -0.303 3.658 3.960 0.001 0.000 0.260 513 G HA3 -0.303 3.658 3.960 0.001 0.000 0.260 513 G C 0.187 175.137 174.900 0.083 0.000 1.025 513 G CA 0.496 45.662 45.100 0.110 0.000 0.769 513 G HN 0.593 nan 8.290 nan 0.000 0.507 514 E N -0.430 119.837 120.200 0.112 0.000 2.501 514 E HA 0.503 4.854 4.350 0.001 0.000 0.201 514 E C 1.647 178.318 176.600 0.117 0.000 1.016 514 E CA 0.197 56.674 56.400 0.127 0.000 0.920 514 E CB 0.541 30.315 29.700 0.123 0.000 1.023 514 E HN 0.718 nan 8.360 nan 0.000 0.474 515 A N 0.556 123.425 122.820 0.082 0.000 2.292 515 A HA 0.284 4.604 4.320 0.001 0.000 0.265 515 A C 0.501 178.222 177.584 0.228 0.000 1.133 515 A CA -0.092 51.981 52.037 0.060 0.000 0.807 515 A CB 0.041 19.053 19.000 0.020 0.000 1.102 515 A HN 0.347 nan 8.150 nan 0.000 0.502 516 F N -2.996 117.092 119.950 0.231 0.000 2.784 516 F HA 0.303 4.831 4.527 0.001 0.000 0.323 516 F C 0.810 176.776 175.800 0.278 0.000 1.085 516 F CA 0.280 58.461 58.000 0.302 0.000 1.196 516 F CB -0.406 38.790 39.000 0.327 0.000 1.053 516 F HN 0.470 nan 8.300 nan 0.000 0.578 517 D N 1.373 121.642 120.400 -0.218 0.000 2.092 517 D HA -0.124 4.517 4.640 0.001 0.000 0.193 517 D C 2.091 178.502 176.300 0.185 0.000 0.994 517 D CA 1.687 55.688 54.000 0.002 0.000 0.828 517 D CB -0.004 40.720 40.800 -0.126 0.000 0.963 517 D HN 0.016 nan 8.370 nan 0.000 0.450 518 R N -0.241 120.329 120.500 0.117 0.000 2.115 518 R HA -0.101 4.239 4.340 0.001 0.000 0.230 518 R C 2.112 178.698 176.300 0.477 0.000 1.111 518 R CA 0.892 57.093 56.100 0.168 0.000 0.976 518 R CB -1.015 29.252 30.300 -0.055 0.000 0.870 518 R HN 0.567 nan 8.270 nan 0.000 0.445 519 H N 0.576 119.877 119.070 0.384 0.000 2.321 519 H HA -0.001 4.556 4.556 0.001 0.000 0.300 519 H C 2.047 177.571 175.328 0.327 0.000 1.087 519 H CA 1.193 57.481 56.048 0.401 0.000 1.319 519 H CB 0.172 30.120 29.762 0.311 0.000 1.379 519 H HN 0.055 nan 8.280 nan 0.000 0.501 520 L N 0.325 121.741 121.223 0.322 0.000 2.083 520 L HA -0.185 4.156 4.340 0.001 0.000 0.209 520 L C 2.708 179.697 176.870 0.198 0.000 1.083 520 L CA 0.555 55.535 54.840 0.234 0.000 0.752 520 L CB -0.350 41.897 42.059 0.314 0.000 0.899 520 L HN 0.331 nan 8.230 nan 0.000 0.433 521 L N 0.440 121.803 121.223 0.233 0.000 2.046 521 L HA -0.075 4.266 4.340 0.001 0.000 0.208 521 L C 2.342 179.239 176.870 0.045 0.000 1.077 521 L CA 2.167 57.074 54.840 0.112 0.000 0.747 521 L CB -1.128 41.062 42.059 0.219 0.000 0.896 521 L HN 0.112 nan 8.230 nan 0.000 0.432 522 G N -0.368 108.621 108.800 0.315 0.000 2.418 522 G HA2 -0.239 3.722 3.960 0.001 0.000 0.217 522 G HA3 -0.239 3.722 3.960 0.001 0.000 0.217 522 G C 1.615 176.598 174.900 0.138 0.000 1.158 522 G CA 1.089 46.441 45.100 0.419 0.000 0.771 522 G HN 0.451 nan 8.290 nan 0.000 0.545 523 L N 0.081 121.388 121.223 0.140 0.000 2.083 523 L HA -0.052 4.289 4.340 0.001 0.000 0.209 523 L C 2.803 179.670 176.870 -0.006 0.000 1.083 523 L CA 1.577 56.508 54.840 0.151 0.000 0.752 523 L CB -0.288 41.952 42.059 0.302 0.000 0.899 523 L HN 0.232 nan 8.230 nan 0.000 0.433 524 K N 0.600 120.769 120.400 -0.386 0.000 2.057 524 K HA -0.137 4.184 4.320 0.001 0.000 0.206 524 K C 2.116 178.446 176.600 -0.451 0.000 1.050 524 K CA 1.104 56.926 56.287 -0.776 0.000 0.935 524 K CB 0.010 31.717 32.500 -1.322 0.000 0.715 524 K HN 0.243 nan 8.250 nan 0.000 0.439 525 L N 0.667 121.588 121.223 -0.503 0.000 2.156 525 L HA -0.137 4.204 4.340 0.001 0.000 0.208 525 L C 2.649 179.261 176.870 -0.430 0.000 1.095 525 L CA 0.834 55.259 54.840 -0.691 0.000 0.770 525 L CB -0.346 40.818 42.059 -1.491 0.000 0.914 525 L HN 0.281 nan 8.230 nan 0.000 0.439 526 Q N 0.577 120.261 119.800 -0.192 0.000 2.079 526 Q HA -0.142 4.199 4.340 0.001 0.000 0.200 526 Q C 2.226 178.263 176.000 0.061 0.000 0.974 526 Q CA 1.988 57.864 55.803 0.121 0.000 0.840 526 Q CB -0.204 28.651 28.738 0.196 0.000 0.898 526 Q HN 0.408 nan 8.270 nan 0.000 0.430 527 A N 0.229 123.057 122.820 0.014 0.000 1.902 527 A HA -0.151 4.169 4.320 0.001 0.000 0.217 527 A C 2.139 179.725 177.584 0.004 0.000 1.181 527 A CA 1.535 53.592 52.037 0.033 0.000 0.623 527 A CB -0.764 18.272 19.000 0.061 0.000 0.818 527 A HN 0.482 nan 8.150 nan 0.000 0.443 528 I N -0.770 119.769 120.570 -0.052 0.000 2.226 528 I HA -0.249 3.922 4.170 0.001 0.000 0.245 528 I C 2.582 178.702 176.117 0.005 0.000 1.100 528 I CA 1.821 63.094 61.300 -0.046 0.000 1.374 528 I CB -0.306 37.630 38.000 -0.106 0.000 1.057 528 I HN 0.536 nan 8.210 nan 0.000 0.413 529 E N 0.893 121.118 120.200 0.041 0.000 2.150 529 E HA -0.236 4.114 4.350 0.001 0.000 0.193 529 E C 1.278 177.928 176.600 0.083 0.000 0.985 529 E CA 1.144 57.606 56.400 0.103 0.000 0.814 529 E CB 0.129 29.960 29.700 0.220 0.000 0.752 529 E HN 0.382 nan 8.360 nan 0.000 0.466 530 D N 0.219 120.662 120.400 0.072 0.000 2.371 530 D HA -0.028 4.613 4.640 0.001 0.000 0.221 530 D C 0.624 176.948 176.300 0.040 0.000 0.986 530 D CA 0.429 54.463 54.000 0.056 0.000 0.899 530 D CB 0.144 40.976 40.800 0.054 0.000 0.902 530 D HN 0.251 nan 8.370 nan 0.000 0.530 531 L N -0.774 120.470 121.223 0.034 0.000 3.717 531 L HA -0.197 4.144 4.340 0.001 0.000 0.411 531 L C 0.088 176.972 176.870 0.023 0.000 1.233 531 L CA -0.146 54.709 54.840 0.025 0.000 0.917 531 L CB -2.291 39.783 42.059 0.024 0.000 1.902 531 L HN -0.046 nan 8.230 nan 0.000 0.894 532 V N -3.113 116.817 119.914 0.027 0.000 2.975 532 V HA 0.860 4.981 4.120 0.001 0.000 0.318 532 V C 0.982 177.094 176.094 0.030 0.000 1.077 532 V CA -0.095 62.223 62.300 0.029 0.000 1.000 532 V CB 1.775 33.620 31.823 0.037 0.000 1.066 532 V HN 0.350 nan 8.190 nan 0.000 0.452 536 D N 0.538 120.872 120.400 -0.110 0.000 2.149 536 D HA -0.123 4.518 4.640 0.001 0.000 0.198 536 D C 1.722 177.873 176.300 -0.249 0.000 0.990 536 D CA 1.492 55.419 54.000 -0.121 0.000 0.839 536 D CB -0.017 40.737 40.800 -0.076 0.000 0.948 536 D HN 0.620 nan 8.370 nan 0.000 0.460 537 I N -2.468 117.779 120.570 -0.538 0.000 2.423 537 I HA -0.142 4.029 4.170 0.001 0.000 0.254 537 I C 0.873 176.547 176.117 -0.738 0.000 1.151 537 I CA 0.688 61.559 61.300 -0.715 0.000 1.421 537 I CB -0.499 36.785 38.000 -1.194 0.000 1.079 537 I HN -0.242 nan 8.210 nan 0.000 0.431 541 T N 0.606 115.199 114.554 0.064 0.000 2.720 541 T HA -0.099 4.251 4.350 0.001 0.000 0.268 541 T C 1.697 176.445 174.700 0.079 0.000 1.037 541 T CA 1.949 64.078 62.100 0.047 0.000 1.144 541 T CB -0.128 68.741 68.868 0.001 0.000 0.864 541 T HN 0.379 nan 8.240 nan 0.000 0.444 542 S N 0.139 115.900 115.700 0.102 0.000 2.370 542 S HA -0.124 4.347 4.470 0.001 0.000 0.226 542 S C 1.672 176.392 174.600 0.200 0.000 1.033 542 S CA 1.126 59.394 58.200 0.114 0.000 1.011 542 S CB -0.494 62.746 63.200 0.066 0.000 0.852 542 S HN 0.632 nan 8.310 nan 0.000 0.457 543 Y N 1.904 122.297 120.300 0.155 0.000 2.242 543 Y HA -0.125 4.425 4.550 0.001 0.000 0.291 543 Y C 2.412 178.385 175.900 0.122 0.000 1.137 543 Y CA 1.030 59.252 58.100 0.202 0.000 1.181 543 Y CB -0.444 38.112 38.460 0.160 0.000 0.989 543 Y HN 0.255 nan 8.280 nan 0.000 0.527 544 A N 0.309 123.187 122.820 0.097 0.000 1.902 544 A HA -0.165 4.155 4.320 0.001 0.000 0.217 544 A C 2.191 179.735 177.584 -0.067 0.000 1.181 544 A CA 1.872 53.907 52.037 -0.005 0.000 0.623 544 A CB -0.999 18.025 19.000 0.041 0.000 0.818 544 A HN 0.574 nan 8.150 nan 0.000 0.443 545 I N -0.151 120.396 120.570 -0.038 0.000 2.252 545 I HA -0.133 4.038 4.170 0.001 0.000 0.245 545 I C 1.956 178.017 176.117 -0.094 0.000 1.102 545 I CA 0.394 61.661 61.300 -0.056 0.000 1.385 545 I CB -0.596 37.395 38.000 -0.015 0.000 1.064 545 I HN 0.364 nan 8.210 nan 0.000 0.414 549 F N 4.427 124.331 119.950 -0.076 0.000 2.464 549 F HA 0.200 4.728 4.527 0.001 0.000 0.353 549 F C 1.780 177.568 175.800 -0.021 0.000 1.191 549 F CA -0.271 57.722 58.000 -0.012 0.000 1.147 549 F CB 0.265 39.264 39.000 -0.001 0.000 1.294 549 F HN 0.418 nan 8.300 nan 0.000 0.583 550 N N 2.644 121.452 118.700 0.180 0.000 2.381 550 N HA -0.060 4.681 4.740 0.001 0.000 0.182 550 N C 0.104 175.731 175.510 0.196 0.000 1.025 550 N CA 0.883 54.026 53.050 0.155 0.000 0.888 550 N CB 0.419 38.972 38.487 0.110 0.000 0.965 550 N HN 0.394 nan 8.380 nan 0.000 0.438 551 L N 0.515 121.839 121.223 0.169 0.000 2.372 551 L HA 0.248 4.589 4.340 0.001 0.000 0.273 551 L C -0.469 176.526 176.870 0.209 0.000 0.989 551 L CA -0.362 54.587 54.840 0.182 0.000 0.841 551 L CB 2.128 44.220 42.059 0.054 0.000 1.225 551 L HN -0.211 nan 8.230 nan 0.000 0.414 552 S N 2.165 117.999 115.700 0.223 0.000 2.530 552 S HA 0.730 5.201 4.470 0.001 0.000 0.322 552 S C -0.265 174.538 174.600 0.338 0.000 1.085 552 S CA -0.375 57.928 58.200 0.172 0.000 1.096 552 S CB 0.918 64.168 63.200 0.083 0.000 0.988 552 S HN 0.691 nan 8.310 nan 0.000 0.466 553 T N 0.995 115.750 114.554 0.336 0.000 2.887 553 T HA 0.876 5.226 4.350 0.001 0.000 0.292 553 T C -0.758 174.155 174.700 0.354 0.000 1.087 553 T CA -0.662 61.684 62.100 0.409 0.000 1.009 553 T CB 1.598 70.681 68.868 0.358 0.000 1.203 553 T HN 0.985 nan 8.240 nan 0.000 0.518 554 S N 0.338 116.214 115.700 0.292 0.000 2.542 554 S HA 0.435 4.905 4.470 0.001 0.000 0.276 554 S C -1.374 173.058 174.600 -0.280 0.000 1.148 554 S CA -0.948 57.305 58.200 0.089 0.000 0.886 554 S CB 1.697 64.996 63.200 0.165 0.000 1.109 554 S HN 1.107 nan 8.310 nan 0.000 0.458 555 Q N 1.766 121.329 119.800 -0.396 0.000 2.271 555 Q HA 0.641 4.982 4.340 0.001 0.000 0.258 555 Q C -1.506 174.320 176.000 -0.290 0.000 0.936 555 Q CA -0.799 54.578 55.803 -0.710 0.000 0.909 555 Q CB 1.458 29.942 28.738 -0.425 0.000 1.253 555 Q HN 0.707 nan 8.270 nan 0.000 0.440 556 V N 7.154 126.918 119.914 -0.249 0.000 2.313 556 V HA 0.305 4.426 4.120 0.001 0.000 0.262 556 V C -2.214 173.831 176.094 -0.081 0.000 1.011 556 V CA -1.345 60.891 62.300 -0.107 0.000 0.858 556 V CB 0.844 32.634 31.823 -0.055 0.000 1.104 556 V HN 0.766 nan 8.190 nan 0.000 0.456 557 P HA 0.423 nan 4.420 nan 0.000 0.271 557 P C -0.503 176.790 177.300 -0.012 0.000 1.220 557 P CA 0.388 63.472 63.100 -0.027 0.000 0.768 557 P CB 1.772 33.468 31.700 -0.006 0.000 0.848 558 A N 3.479 126.296 122.820 -0.005 0.000 2.549 558 A HA 0.368 4.688 4.320 0.001 0.000 0.297 558 A C 0.890 178.486 177.584 0.020 0.000 1.061 558 A CA -0.717 51.326 52.037 0.010 0.000 0.690 558 A CB 1.350 20.355 19.000 0.008 0.000 1.287 558 A HN 0.375 nan 8.150 nan 0.000 0.402 559 K N 0.167 120.587 120.400 0.033 0.000 2.217 559 K HA 0.000 4.321 4.320 0.001 0.000 0.202 559 K C 0.255 176.883 176.600 0.046 0.000 1.051 559 K CA 1.196 57.507 56.287 0.039 0.000 0.952 559 K CB -0.105 32.424 32.500 0.047 0.000 0.736 559 K HN 0.716 nan 8.250 nan 0.000 0.453 560 T N 1.659 116.243 114.554 0.050 0.000 2.907 560 T HA -0.013 4.337 4.350 0.001 0.000 0.298 560 T C -0.090 174.650 174.700 0.066 0.000 1.017 560 T CA -0.203 61.934 62.100 0.062 0.000 1.118 560 T CB 0.971 69.879 68.868 0.066 0.000 0.948 560 T HN 0.029 nan 8.240 nan 0.000 0.531 561 D N 2.390 122.843 120.400 0.088 0.000 2.671 561 D HA 0.181 4.822 4.640 0.001 0.000 0.228 561 D C 0.294 176.662 176.300 0.113 0.000 1.102 561 D CA -0.527 53.545 54.000 0.119 0.000 1.044 561 D CB -0.865 40.032 40.800 0.161 0.000 1.113 561 D HN 0.602 nan 8.370 nan 0.000 0.480 562 C N -0.082 119.271 119.300 0.088 0.000 2.710 562 C HA 0.922 5.382 4.460 0.001 0.000 0.367 562 C C 0.059 175.100 174.990 0.084 0.000 1.315 562 C CA -0.793 58.279 59.018 0.090 0.000 1.764 562 C CB 1.193 28.974 27.740 0.068 0.000 2.182 562 C HN 0.229 nan 8.230 nan 0.000 0.491 566 F N -0.978 119.084 119.950 0.188 0.000 2.741 566 F HA 0.889 5.416 4.527 0.001 0.000 0.311 566 F C -0.161 175.683 175.800 0.073 0.000 1.149 566 F CA -1.624 56.433 58.000 0.094 0.000 0.930 566 F CB 0.839 39.867 39.000 0.046 0.000 1.312 566 F HN 0.868 nan 8.300 nan 0.000 0.450 567 G N 0.556 109.538 108.800 0.303 0.000 2.539 567 G HA2 0.572 4.533 3.960 0.001 0.000 0.258 567 G HA3 0.572 4.533 3.960 0.001 0.000 0.258 567 G C -2.981 172.065 174.900 0.245 0.000 1.202 567 G CA -1.693 43.502 45.100 0.159 0.000 0.851 567 G HN 0.503 nan 8.290 nan 0.000 0.556 568 P HA 0.096 nan 4.420 nan 0.000 0.270 568 P C 1.134 178.599 177.300 0.275 0.000 1.223 568 P CA -0.294 62.866 63.100 0.100 0.000 0.785 568 P CB 0.980 32.603 31.700 -0.129 0.000 0.923 569 V N -0.435 119.576 119.914 0.163 0.000 3.608 569 V HA 0.118 4.239 4.120 0.001 0.000 0.269 569 V C 0.532 176.647 176.094 0.034 0.000 1.245 569 V CA 0.524 62.868 62.300 0.074 0.000 1.138 569 V CB -0.666 31.121 31.823 -0.061 0.000 0.841 569 V HN 0.330 nan 8.190 nan 0.000 0.451 570 V N -5.545 114.405 119.914 0.059 0.000 2.962 570 V HA 0.639 4.760 4.120 0.001 0.000 0.313 570 V C -2.070 174.110 176.094 0.143 0.000 1.099 570 V CA -1.916 60.359 62.300 -0.043 0.000 0.971 570 V CB 1.274 32.865 31.823 -0.388 0.000 1.028 570 V HN -0.024 nan 8.190 nan 0.000 0.430 571 P HA -0.098 nan 4.420 nan 0.000 0.216 571 P C 0.374 177.782 177.300 0.180 0.000 1.150 571 P CA 1.803 64.977 63.100 0.123 0.000 0.837 571 P CB 0.002 31.713 31.700 0.017 0.000 0.786 572 D N -1.429 119.049 120.400 0.131 0.000 2.738 572 D HA 0.240 4.881 4.640 0.001 0.000 0.246 572 D C 0.694 177.011 176.300 0.029 0.000 1.270 572 D CA -0.405 53.640 54.000 0.076 0.000 0.833 572 D CB -0.343 40.517 40.800 0.101 0.000 1.040 572 D HN 0.022 nan 8.370 nan 0.000 0.487 573 G N -0.855 107.942 108.800 -0.004 0.000 3.042 573 G HA2 0.583 4.544 3.960 0.001 0.000 0.278 573 G HA3 0.583 4.544 3.960 0.001 0.000 0.278 573 G C -1.622 173.151 174.900 -0.212 0.000 1.371 573 G CA -0.817 44.279 45.100 -0.006 0.000 1.009 573 G HN 0.071 nan 8.290 nan 0.000 0.523 574 Y N -1.441 118.904 120.300 0.075 0.000 2.536 574 Y HA 0.628 5.178 4.550 0.001 0.000 0.347 574 Y C 0.609 176.545 175.900 0.061 0.000 1.000 574 Y CA -0.672 57.449 58.100 0.036 0.000 1.051 574 Y CB 2.712 41.219 38.460 0.079 0.000 1.259 574 Y HN 0.714 nan 8.280 nan 0.000 0.468 575 G N 2.492 111.394 108.800 0.170 0.000 2.502 575 G HA2 0.679 4.639 3.960 0.001 0.000 0.311 575 G HA3 0.679 4.639 3.960 0.001 0.000 0.311 575 G C -1.325 173.528 174.900 -0.078 0.000 1.270 575 G CA -0.477 44.699 45.100 0.127 0.000 0.948 575 G HN 0.511 nan 8.290 nan 0.000 0.487 576 I N 1.544 122.134 120.570 0.034 0.000 2.466 576 I HA 0.407 4.577 4.170 0.001 0.000 0.289 576 I C -0.585 175.621 176.117 0.148 0.000 1.026 576 I CA -0.744 60.602 61.300 0.075 0.000 1.078 576 I CB 2.263 40.386 38.000 0.205 0.000 1.249 576 I HN 0.438 nan 8.210 nan 0.000 0.429 577 C N 6.970 126.331 119.300 0.102 0.000 2.712 577 C HA 0.860 5.321 4.460 0.001 0.000 0.308 577 C C -1.290 173.845 174.990 0.241 0.000 1.201 577 C CA -0.393 58.700 59.018 0.124 0.000 1.554 577 C CB 1.485 29.223 27.740 -0.003 0.000 2.117 577 C HN 0.753 nan 8.230 nan 0.000 0.480 578 Y N 2.131 122.448 120.300 0.029 0.000 2.609 578 Y HA 0.647 5.198 4.550 0.001 0.000 0.336 578 Y C -0.934 174.878 175.900 -0.147 0.000 1.129 578 Y CA -1.194 56.803 58.100 -0.172 0.000 1.040 578 Y CB 0.936 39.094 38.460 -0.504 0.000 1.310 578 Y HN 0.546 nan 8.280 nan 0.000 0.460 579 N N 2.527 121.186 118.700 -0.067 0.000 2.576 579 N HA 0.551 5.292 4.740 0.001 0.000 0.269 579 N C -3.316 172.143 175.510 -0.084 0.000 1.058 579 N CA -2.229 50.781 53.050 -0.066 0.000 0.860 579 N CB 1.953 40.415 38.487 -0.042 0.000 1.249 579 N HN 0.412 nan 8.380 nan 0.000 0.525 583 A N 0.647 123.552 122.820 0.142 0.000 2.470 583 A HA 0.374 4.695 4.320 0.001 0.000 0.251 583 A C 0.227 177.988 177.584 0.296 0.000 1.245 583 A CA 0.463 52.633 52.037 0.222 0.000 0.932 583 A CB -0.180 18.943 19.000 0.206 0.000 1.037 583 A HN 0.426 nan 8.150 nan 0.000 0.522 584 H N -2.318 116.832 119.070 0.134 0.000 2.948 584 H HA 0.669 5.226 4.556 0.001 0.000 0.315 584 H C -2.010 173.397 175.328 0.133 0.000 1.360 584 H CA -1.290 54.839 56.048 0.136 0.000 1.125 584 H CB 0.676 30.498 29.762 0.099 0.000 1.844 584 H HN 0.002 nan 8.280 nan 0.000 0.529 585 I N 1.412 122.093 120.570 0.185 0.000 2.499 585 I HA 0.227 4.398 4.170 0.001 0.000 0.288 585 I C -0.677 175.449 176.117 0.015 0.000 1.048 585 I CA -0.577 60.687 61.300 -0.059 0.000 1.062 585 I CB 2.077 39.940 38.000 -0.228 0.000 1.238 585 I HN 0.450 nan 8.210 nan 0.000 0.426 586 N N 5.719 124.378 118.700 -0.068 0.000 2.419 586 N HA 0.514 5.255 4.740 0.001 0.000 0.264 586 N C -1.350 174.123 175.510 -0.063 0.000 1.031 586 N CA -0.315 52.772 53.050 0.062 0.000 0.951 586 N CB 0.983 39.530 38.487 0.100 0.000 1.101 586 N HN 0.271 nan 8.380 nan 0.000 0.488 587 F N 0.630 120.691 119.950 0.184 0.000 2.538 587 F HA 0.494 5.022 4.527 0.001 0.000 0.325 587 F C 0.423 176.300 175.800 0.128 0.000 1.066 587 F CA -0.780 57.319 58.000 0.164 0.000 0.946 587 F CB 1.863 40.931 39.000 0.112 0.000 1.199 587 F HN 0.290 nan 8.300 nan 0.000 0.473 588 S N 1.147 117.053 115.700 0.343 0.000 2.547 588 S HA 0.881 5.351 4.470 0.001 0.000 0.281 588 S C -1.628 173.035 174.600 0.106 0.000 1.118 588 S CA -0.688 57.617 58.200 0.176 0.000 0.947 588 S CB 1.543 64.859 63.200 0.193 0.000 1.053 588 S HN 0.388 nan 8.310 nan 0.000 0.482 589 V N 2.927 122.865 119.914 0.040 0.000 2.577 589 V HA 0.769 4.890 4.120 0.001 0.000 0.303 589 V C -0.146 175.951 176.094 0.004 0.000 1.042 589 V CA -0.482 61.837 62.300 0.032 0.000 0.872 589 V CB 1.685 33.524 31.823 0.027 0.000 0.998 589 V HN 1.150 nan 8.190 nan 0.000 0.423 590 S N 3.429 119.127 115.700 -0.003 0.000 2.566 590 S HA 1.009 5.480 4.470 0.001 0.000 0.298 590 S C -0.450 174.084 174.600 -0.111 0.000 1.083 590 S CA -0.157 57.993 58.200 -0.084 0.000 0.978 590 S CB 2.497 65.606 63.200 -0.152 0.000 1.073 590 S HN 1.618 nan 8.310 nan 0.000 0.491 591 A N 0.848 123.514 122.820 -0.257 0.000 2.599 591 A HA 0.734 5.054 4.320 0.001 0.000 0.290 591 A C -2.257 175.078 177.584 -0.414 0.000 1.101 591 A CA -0.825 50.970 52.037 -0.403 0.000 0.674 591 A CB 0.696 19.515 19.000 -0.302 0.000 1.277 591 A HN 0.760 nan 8.150 nan 0.000 0.419 592 Y N 1.255 121.501 120.300 -0.089 0.000 2.352 592 Y HA 0.330 4.881 4.550 0.001 0.000 0.339 592 Y C 1.317 177.189 175.900 -0.047 0.000 0.992 592 Y CA -1.208 56.868 58.100 -0.040 0.000 1.100 592 Y CB 1.526 39.978 38.460 -0.014 0.000 1.192 592 Y HN 0.713 nan 8.280 nan 0.000 0.458 593 N N 0.590 119.371 118.700 0.134 0.000 2.381 593 N HA -0.153 4.588 4.740 0.001 0.000 0.182 593 N C 1.796 177.338 175.510 0.055 0.000 1.025 593 N CA 1.356 54.443 53.050 0.062 0.000 0.888 593 N CB -0.083 38.427 38.487 0.038 0.000 0.965 593 N HN 0.702 nan 8.380 nan 0.000 0.438 594 S N -0.532 115.210 115.700 0.070 0.000 2.419 594 S HA -0.102 4.369 4.470 0.001 0.000 0.235 594 S C 1.324 175.943 174.600 0.031 0.000 1.019 594 S CA 0.243 58.460 58.200 0.029 0.000 0.982 594 S CB -0.543 62.654 63.200 -0.005 0.000 0.789 594 S HN 0.364 nan 8.310 nan 0.000 0.490 595 C N 2.307 121.639 119.300 0.052 0.000 2.246 595 C HA 0.824 5.284 4.460 0.001 0.000 0.329 595 C C 1.695 176.703 174.990 0.030 0.000 1.221 595 C CA -0.545 58.496 59.018 0.039 0.000 1.697 595 C CB -0.374 27.392 27.740 0.044 0.000 2.312 595 C HN 0.587 nan 8.230 nan 0.000 0.509 596 A N 3.780 126.617 122.820 0.028 0.000 2.067 596 A HA -0.030 4.291 4.320 0.001 0.000 0.219 596 A C 1.758 179.365 177.584 0.038 0.000 1.158 596 A CA 1.364 53.417 52.037 0.026 0.000 0.661 596 A CB -0.207 18.805 19.000 0.020 0.000 0.801 596 A HN 0.893 nan 8.150 nan 0.000 0.452 597 E N 0.049 120.285 120.200 0.060 0.000 2.481 597 E HA 0.035 4.386 4.350 0.001 0.000 0.195 597 E C 0.685 177.393 176.600 0.180 0.000 1.047 597 E CA 0.888 57.359 56.400 0.118 0.000 0.867 597 E CB -0.029 29.767 29.700 0.159 0.000 0.858 597 E HN 0.701 nan 8.360 nan 0.000 0.513 598 T N -1.325 113.281 114.554 0.086 0.000 2.885 598 T HA 0.521 4.872 4.350 0.001 0.000 0.285 598 T C -0.420 174.309 174.700 0.048 0.000 1.019 598 T CA -1.039 61.093 62.100 0.054 0.000 1.010 598 T CB 1.707 70.376 68.868 -0.332 0.000 1.022 598 T HN -0.067 nan 8.240 nan 0.000 0.466 599 N N 0.545 119.346 118.700 0.169 0.000 2.542 599 N HA 0.345 5.086 4.740 0.001 0.000 0.288 599 N C 0.770 176.407 175.510 0.213 0.000 1.115 599 N CA -0.254 52.865 53.050 0.115 0.000 0.924 599 N CB 2.100 40.620 38.487 0.055 0.000 1.526 599 N HN 0.768 nan 8.380 nan 0.000 0.515 600 A N 3.409 126.313 122.820 0.141 0.000 1.902 600 A HA -0.039 4.282 4.320 0.001 0.000 0.217 600 A C 2.086 179.653 177.584 -0.029 0.000 1.181 600 A CA 2.143 54.258 52.037 0.130 0.000 0.623 600 A CB -0.672 18.354 19.000 0.044 0.000 0.818 600 A HN 0.765 nan 8.150 nan 0.000 0.443 601 A N -0.230 122.527 122.820 -0.104 0.000 1.883 601 A HA -0.099 4.221 4.320 0.001 0.000 0.217 601 A C 1.768 179.004 177.584 -0.580 0.000 1.186 601 A CA 1.437 53.274 52.037 -0.334 0.000 0.624 601 A CB -0.461 18.418 19.000 -0.201 0.000 0.822 601 A HN 0.605 nan 8.150 nan 0.000 0.444 605 H N -1.594 117.510 119.070 0.057 0.000 2.353 605 H HA -0.116 4.441 4.556 0.001 0.000 0.300 605 H C 1.841 177.190 175.328 0.035 0.000 1.090 605 H CA 1.963 58.048 56.048 0.061 0.000 1.327 605 H CB -0.081 29.732 29.762 0.085 0.000 1.383 605 H HN 0.558 nan 8.280 nan 0.000 0.508 606 Y N 0.261 120.587 120.300 0.043 0.000 2.293 606 Y HA -0.169 4.382 4.550 0.001 0.000 0.291 606 Y C 2.374 178.243 175.900 -0.052 0.000 1.137 606 Y CA 0.675 58.766 58.100 -0.016 0.000 1.202 606 Y CB -0.203 38.220 38.460 -0.061 0.000 0.990 606 Y HN 0.174 nan 8.280 nan 0.000 0.537 607 L N 0.507 121.746 121.223 0.028 0.000 2.027 607 L HA -0.156 4.184 4.340 0.001 0.000 0.206 607 L C 2.271 179.049 176.870 -0.154 0.000 1.074 607 L CA 2.012 56.769 54.840 -0.140 0.000 0.745 607 L CB -0.965 40.886 42.059 -0.347 0.000 0.898 607 L HN 0.317 nan 8.230 nan 0.000 0.433 608 E N -0.467 119.701 120.200 -0.053 0.000 2.058 608 E HA -0.330 4.021 4.350 0.001 0.000 0.194 608 E C 2.149 178.843 176.600 0.156 0.000 0.997 608 E CA 1.522 58.022 56.400 0.167 0.000 0.801 608 E CB -0.084 29.782 29.700 0.277 0.000 0.746 608 E HN 0.341 nan 8.360 nan 0.000 0.450 609 K N 0.491 120.912 120.400 0.034 0.000 2.148 609 K HA -0.031 4.290 4.320 0.001 0.000 0.204 609 K C 1.745 178.350 176.600 0.008 0.000 1.050 609 K CA 1.286 57.558 56.287 -0.025 0.000 0.942 609 K CB -0.393 32.024 32.500 -0.138 0.000 0.724 609 K HN 0.230 nan 8.250 nan 0.000 0.446 610 A N 0.520 123.348 122.820 0.014 0.000 1.898 610 A HA -0.088 4.232 4.320 0.001 0.000 0.216 610 A C 2.162 179.798 177.584 0.087 0.000 1.181 610 A CA 1.456 53.517 52.037 0.041 0.000 0.620 610 A CB -0.665 18.354 19.000 0.032 0.000 0.819 610 A HN 0.296 nan 8.150 nan 0.000 0.442 611 L N -0.650 120.626 121.223 0.088 0.000 2.017 611 L HA -0.193 4.148 4.340 0.001 0.000 0.208 611 L C 2.593 179.752 176.870 0.482 0.000 1.073 611 L CA 1.175 56.174 54.840 0.266 0.000 0.745 611 L CB -0.526 41.474 42.059 -0.099 0.000 0.894 611 L HN 0.375 nan 8.230 nan 0.000 0.432 612 L N -0.947 120.476 121.223 0.334 0.000 2.046 612 L HA -0.143 4.197 4.340 0.001 0.000 0.208 612 L C 0.980 177.937 176.870 0.144 0.000 1.077 612 L CA 0.593 55.569 54.840 0.227 0.000 0.747 612 L CB -0.535 41.513 42.059 -0.019 0.000 0.896 612 L HN 0.259 nan 8.230 nan 0.000 0.432 616 T N 3.062 117.615 114.554 -0.001 0.000 2.684 616 T HA -0.133 4.218 4.350 0.001 0.000 0.267 616 T C 1.730 176.477 174.700 0.078 0.000 1.036 616 T CA 1.780 63.887 62.100 0.012 0.000 1.148 616 T CB -0.321 68.556 68.868 0.014 0.000 0.863 616 T HN 0.154 nan 8.240 nan 0.000 0.436 617 L N 0.915 122.221 121.223 0.139 0.000 2.012 617 L HA -0.014 4.327 4.340 0.001 0.000 0.210 617 L C 2.202 179.223 176.870 0.252 0.000 1.073 617 L CA 1.660 56.622 54.840 0.203 0.000 0.748 617 L CB -0.718 41.469 42.059 0.214 0.000 0.891 617 L HN 0.256 nan 8.230 nan 0.000 0.431 618 L N -1.109 120.270 121.223 0.261 0.000 2.046 618 L HA -0.230 4.111 4.340 0.001 0.000 0.208 618 L C 2.617 179.631 176.870 0.239 0.000 1.077 618 L CA 1.378 56.386 54.840 0.280 0.000 0.747 618 L CB -0.560 41.731 42.059 0.387 0.000 0.896 618 L HN 0.406 nan 8.230 nan 0.000 0.432 619 Q N -0.453 119.470 119.800 0.205 0.000 2.230 619 Q HA -0.128 4.213 4.340 0.001 0.000 0.202 619 Q C 1.674 177.690 176.000 0.027 0.000 0.963 619 Q CA 0.785 56.659 55.803 0.119 0.000 0.866 619 Q CB -0.020 28.750 28.738 0.053 0.000 0.931 619 Q HN 0.439 nan 8.270 nan 0.000 0.452 620 N N -0.111 118.581 118.700 -0.014 0.000 2.512 620 N HA -0.067 4.674 4.740 0.001 0.000 0.183 620 N C -0.338 174.862 175.510 -0.518 0.000 1.073 620 N CA 0.849 53.759 53.050 -0.233 0.000 0.911 620 N CB 0.287 38.622 38.487 -0.253 0.000 0.964 620 N HN 0.242 nan 8.380 nan 0.000 0.447 621 H N -0.553 118.551 119.070 0.056 0.000 2.607 621 H HA 0.274 4.830 4.556 0.001 0.000 0.248 621 H C -2.382 172.972 175.328 0.043 0.000 1.355 621 H CA -1.701 54.375 56.048 0.046 0.000 1.524 621 H CB 0.769 30.559 29.762 0.046 0.000 1.563 621 H HN -0.061 nan 8.280 nan 0.000 0.509 622 P HA -0.086 nan 4.420 nan 0.000 0.255 622 P C 0.550 177.893 177.300 0.072 0.000 1.161 622 P CA 0.426 63.566 63.100 0.068 0.000 0.768 622 P CB 0.535 32.259 31.700 0.041 0.000 0.746 623 R N 3.641 124.174 120.500 0.056 0.000 2.715 623 R HA -0.006 4.335 4.340 0.001 0.000 0.266 623 R C 1.297 177.616 176.300 0.032 0.000 0.981 623 R CA 0.685 56.808 56.100 0.039 0.000 1.105 623 R CB -0.330 29.980 30.300 0.015 0.000 0.953 623 R HN 0.621 nan 8.270 nan 0.000 0.432 624 A N 0.275 123.109 122.820 0.024 0.000 2.692 624 A HA -0.318 4.003 4.320 0.001 0.000 0.302 624 A C -0.137 177.460 177.584 0.023 0.000 1.462 624 A CA 2.212 54.260 52.037 0.019 0.000 1.012 624 A CB -1.130 17.877 19.000 0.012 0.000 0.914 624 A HN 0.717 nan 8.150 nan 0.000 0.544 625 K N 0.000 120.420 120.400 0.033 0.000 2.780 625 K HA 0.000 4.321 4.320 0.001 0.000 0.191 625 K CA 0.000 56.308 56.287 0.034 0.000 0.838 625 K CB 0.000 32.517 32.500 0.029 0.000 1.064 625 K HN 0.000 nan 8.250 nan 0.000 0.543