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 1nm8_1_A DATA FIRST_RESID 9 DATA SEQUENCE HHTDPLPRLP VPPLQQSLDH YLKALQPIVS EEEWAHTKQL VDEFQASGGV DATA SEQUENCE GERLQKGLER RARKTENWLS EWWLKTAYLQ YRQPVVIYSS PGVMLPKQDF DATA SEQUENCE VDLQGQLRFA AKLIEGVLDF KVMIDNETLP VEYLGGKPLC MNQYYQILSS DATA SEQUENCE CRVPGPKQDT VSNFSKTKKP PTHITVVHNY QFFELDVYHS DGTPLTADQI DATA SEQUENCE FVQLEKIWNS SLQTNKEPVG ILTSNHRNSW AKAYNTLIKD KVNRDSVRSI DATA SEQUENCE QKSIFTVCLD ATMPRVSEDV YRSHVAGQML HGGGSRLNSG NRWFDKTLQF DATA SEQUENCE IVAEDGSCGL VYEHAAAEGP PIVTLLDYVI EYTKKPELVR SPMVPLPMPK DATA SEQUENCE KLRFNITPEI KSDIEKAKQN LSIMIQDLDI TVMVFHHFGK DFPKSEKLSP DATA SEQUENCE DAFIQMALQL AYYRIYGQAC ATYESASLRM FHLGRTDTIR SASMDSLTFV DATA SEQUENCE KAMDDSSVTE HQKVELLRKA VQAHRGYTDR AIRGEAFDRH LLGLKLQAIE DATA SEQUENCE DLVSTPDIFM DTSYAIAMHF HLSTSQVPAK TDCVMFFGPV VPDGYGVCYN DATA SEQUENCE PMEAHINFSL SAYNSCAETN AARLAHYLEK ALLDMRALLQ S 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 9 H HA 0.000 nan 4.556 nan 0.000 0.296 9 H C 0.000 175.365 175.328 0.061 0.000 0.993 9 H CA 0.000 56.040 56.048 -0.013 0.000 1.023 9 H CB 0.000 29.753 29.762 -0.015 0.000 1.292 10 H N 0.342 119.459 119.070 0.079 0.000 3.042 10 H HA 0.278 4.837 4.556 0.004 0.000 0.346 10 H C -0.764 174.569 175.328 0.009 0.000 1.294 10 H CA -0.686 55.387 56.048 0.042 0.000 1.141 10 H CB 1.457 31.234 29.762 0.025 0.000 1.872 10 H HN 0.602 nan 8.280 nan 0.000 0.541 11 T N -0.443 114.186 114.554 0.124 0.000 2.766 11 T HA 0.083 4.435 4.350 0.005 0.000 0.295 11 T C 0.154 174.918 174.700 0.107 0.000 1.024 11 T CA -0.669 61.469 62.100 0.064 0.000 1.018 11 T CB 0.506 69.423 68.868 0.082 0.000 1.002 11 T HN 0.482 nan 8.240 nan 0.000 0.532 12 D N 2.599 123.029 120.400 0.050 0.000 2.423 12 D HA 0.197 4.840 4.640 0.005 0.000 0.238 12 D C -1.512 174.817 176.300 0.048 0.000 1.142 12 D CA -0.796 53.235 54.000 0.051 0.000 0.884 12 D CB 0.090 40.901 40.800 0.017 0.000 1.199 12 D HN 0.509 nan 8.370 nan 0.000 0.438 13 P HA 0.062 nan 4.420 nan 0.000 0.270 13 P C 0.016 177.299 177.300 -0.028 0.000 1.223 13 P CA -0.251 62.829 63.100 -0.033 0.000 0.785 13 P CB 0.768 32.416 31.700 -0.086 0.000 0.923 14 L N 2.730 123.933 121.223 -0.033 0.000 2.452 14 L HA 0.240 4.583 4.340 0.005 0.000 0.267 14 L C -1.399 175.505 176.870 0.056 0.000 1.188 14 L CA -1.863 52.981 54.840 0.006 0.000 0.821 14 L CB -0.344 41.739 42.059 0.040 0.000 1.102 14 L HN 0.357 nan 8.230 nan 0.000 0.470 15 P HA 0.104 nan 4.420 nan 0.000 0.270 15 P C -0.942 176.555 177.300 0.328 0.000 1.223 15 P CA -0.235 62.982 63.100 0.195 0.000 0.785 15 P CB 0.565 32.406 31.700 0.236 0.000 0.923 16 R N 0.663 121.313 120.500 0.251 0.000 2.531 16 R HA 0.317 4.660 4.340 0.005 0.000 0.273 16 R C 0.172 176.535 176.300 0.105 0.000 1.070 16 R CA -1.105 55.120 56.100 0.207 0.000 1.112 16 R CB 0.129 30.508 30.300 0.132 0.000 1.049 16 R HN 0.392 nan 8.270 nan 0.000 0.508 17 L N 4.859 126.068 121.223 -0.024 0.000 2.559 17 L HA 0.077 4.420 4.340 0.005 0.000 0.274 17 L C -1.977 174.802 176.870 -0.151 0.000 1.205 17 L CA -0.683 53.942 54.840 -0.358 0.000 0.907 17 L CB 0.191 42.055 42.059 -0.325 0.000 1.153 17 L HN 0.488 nan 8.230 nan 0.000 0.490 18 P HA 0.192 nan 4.420 nan 0.000 0.278 18 P C -1.323 176.009 177.300 0.053 0.000 1.258 18 P CA -0.444 62.597 63.100 -0.099 0.000 0.811 18 P CB 1.429 33.025 31.700 -0.174 0.000 1.063 19 V N 3.301 123.152 119.914 -0.105 0.000 2.398 19 V HA 0.308 4.431 4.120 0.005 0.000 0.286 19 V C -1.685 174.232 176.094 -0.295 0.000 1.026 19 V CA -1.689 60.408 62.300 -0.338 0.000 0.868 19 V CB 0.976 32.452 31.823 -0.578 0.000 0.982 19 V HN 0.627 nan 8.190 nan 0.000 0.443 20 P HA 0.331 nan 4.420 nan 0.000 0.276 20 P C -2.777 174.448 177.300 -0.125 0.000 1.244 20 P CA -1.860 61.133 63.100 -0.177 0.000 0.801 20 P CB 0.297 31.981 31.700 -0.028 0.000 1.006 21 P HA -0.007 nan 4.420 nan 0.000 0.268 21 P C 1.030 178.426 177.300 0.160 0.000 1.205 21 P CA -0.278 62.850 63.100 0.048 0.000 0.771 21 P CB 0.681 32.395 31.700 0.024 0.000 0.858 22 L N 3.930 125.241 121.223 0.146 0.000 1.990 22 L HA -0.246 4.097 4.340 0.005 0.000 0.213 22 L C 2.560 179.459 176.870 0.049 0.000 1.072 22 L CA 2.068 56.984 54.840 0.126 0.000 0.755 22 L CB -1.267 40.797 42.059 0.007 0.000 0.889 22 L HN 0.357 nan 8.230 nan 0.000 0.432 23 Q N -1.068 118.736 119.800 0.006 0.000 2.170 23 Q HA -0.287 4.056 4.340 0.005 0.000 0.203 23 Q C 2.197 178.164 176.000 -0.054 0.000 0.976 23 Q CA 1.796 57.584 55.803 -0.024 0.000 0.858 23 Q CB -0.309 28.412 28.738 -0.029 0.000 0.907 23 Q HN 0.711 nan 8.270 nan 0.000 0.433 24 Q N 0.518 120.288 119.800 -0.050 0.000 2.020 24 Q HA -0.159 4.184 4.340 0.005 0.000 0.202 24 Q C 2.046 177.910 176.000 -0.227 0.000 0.982 24 Q CA 1.674 57.376 55.803 -0.168 0.000 0.838 24 Q CB 0.067 28.770 28.738 -0.059 0.000 0.899 24 Q HN 0.226 nan 8.270 nan 0.000 0.423 25 S N 0.812 116.537 115.700 0.042 0.000 2.368 25 S HA -0.098 4.375 4.470 0.005 0.000 0.225 25 S C 1.927 176.506 174.600 -0.036 0.000 1.030 25 S CA 1.057 59.354 58.200 0.162 0.000 0.999 25 S CB -0.223 63.182 63.200 0.341 0.000 0.844 25 S HN 0.355 nan 8.310 nan 0.000 0.459 26 L N 1.278 122.473 121.223 -0.047 0.000 2.093 26 L HA -0.137 4.206 4.340 0.005 0.000 0.208 26 L C 2.099 178.939 176.870 -0.049 0.000 1.085 26 L CA 1.033 55.847 54.840 -0.043 0.000 0.755 26 L CB -0.637 41.416 42.059 -0.010 0.000 0.904 26 L HN 0.212 nan 8.230 nan 0.000 0.435 27 D N -1.037 119.315 120.400 -0.080 0.000 2.117 27 D HA -0.168 4.475 4.640 0.005 0.000 0.198 27 D C 2.151 178.473 176.300 0.038 0.000 0.982 27 D CA 1.178 55.156 54.000 -0.037 0.000 0.828 27 D CB -0.197 40.564 40.800 -0.066 0.000 0.967 27 D HN 0.332 nan 8.370 nan 0.000 0.464 28 H N -0.624 118.434 119.070 -0.020 0.000 2.387 28 H HA -0.123 4.436 4.556 0.004 0.000 0.299 28 H C 1.925 177.059 175.328 -0.322 0.000 1.090 28 H CA 0.712 56.743 56.048 -0.028 0.000 1.332 28 H CB -0.671 29.189 29.762 0.162 0.000 1.386 28 H HN 0.266 nan 8.280 nan 0.000 0.516 29 Y N 1.400 121.243 120.300 -0.762 0.000 2.145 29 Y HA -0.174 4.379 4.550 0.005 0.000 0.286 29 Y C 2.368 178.117 175.900 -0.251 0.000 1.145 29 Y CA 1.162 58.682 58.100 -0.966 0.000 1.148 29 Y CB -0.784 37.209 38.460 -0.779 0.000 0.981 29 Y HN 0.054 nan 8.280 nan 0.000 0.507 30 L N 0.114 121.174 121.223 -0.273 0.000 2.079 30 L HA -0.258 4.085 4.340 0.005 0.000 0.210 30 L C 2.473 179.460 176.870 0.196 0.000 1.081 30 L CA 1.801 56.552 54.840 -0.148 0.000 0.752 30 L CB -0.504 41.539 42.059 -0.027 0.000 0.896 30 L HN 0.180 nan 8.230 nan 0.000 0.433 31 K N -0.208 120.278 120.400 0.144 0.000 2.103 31 K HA -0.075 4.248 4.320 0.005 0.000 0.204 31 K C 2.163 178.831 176.600 0.114 0.000 1.052 31 K CA 1.171 57.555 56.287 0.161 0.000 0.945 31 K CB -0.164 32.444 32.500 0.179 0.000 0.722 31 K HN 0.264 nan 8.250 nan 0.000 0.443 32 A N 1.049 123.926 122.820 0.095 0.000 2.066 32 A HA -0.050 4.272 4.320 0.005 0.000 0.218 32 A C 1.955 179.608 177.584 0.115 0.000 1.157 32 A CA 0.971 53.086 52.037 0.130 0.000 0.670 32 A CB -0.362 18.830 19.000 0.321 0.000 0.804 32 A HN 0.143 nan 8.150 nan 0.000 0.453 33 L N -1.413 119.847 121.223 0.062 0.000 2.209 33 L HA -0.129 4.214 4.340 0.005 0.000 0.207 33 L C 2.682 179.656 176.870 0.173 0.000 1.094 33 L CA 0.999 55.889 54.840 0.084 0.000 0.790 33 L CB -0.465 41.564 42.059 -0.049 0.000 0.932 33 L HN 0.510 nan 8.230 nan 0.000 0.447 34 Q N 0.641 120.534 119.800 0.155 0.000 2.118 34 Q HA -0.217 4.126 4.340 0.005 0.000 0.211 34 Q C -0.719 175.273 176.000 -0.012 0.000 0.998 34 Q CA 2.281 58.056 55.803 -0.048 0.000 0.872 34 Q CB -0.571 28.055 28.738 -0.187 0.000 0.925 34 Q HN 0.361 nan 8.270 nan 0.000 0.414 35 P HA -0.018 nan 4.420 nan 0.000 0.249 35 P C 0.610 177.959 177.300 0.081 0.000 1.229 35 P CA 0.880 64.007 63.100 0.046 0.000 0.788 35 P CB -0.063 31.672 31.700 0.059 0.000 1.072 36 I N -3.078 117.549 120.570 0.095 0.000 4.050 36 I HA 0.263 4.436 4.170 0.005 0.000 0.327 36 I C 0.088 176.265 176.117 0.100 0.000 1.473 36 I CA -0.726 60.637 61.300 0.106 0.000 1.124 36 I CB 0.830 38.898 38.000 0.115 0.000 1.129 36 I HN -0.319 nan 8.210 nan 0.000 0.428 37 V N -1.332 118.647 119.914 0.107 0.000 3.040 37 V HA 0.731 4.853 4.120 0.005 0.000 0.312 37 V C 0.391 176.552 176.094 0.111 0.000 1.115 37 V CA -0.300 62.068 62.300 0.113 0.000 0.998 37 V CB 1.364 33.271 31.823 0.140 0.000 1.042 37 V HN 0.314 nan 8.190 nan 0.000 0.433 38 S N 0.383 116.143 115.700 0.100 0.000 2.608 38 S HA 0.214 4.687 4.470 0.005 0.000 0.261 38 S C 0.964 175.637 174.600 0.121 0.000 1.314 38 S CA 0.708 58.960 58.200 0.087 0.000 0.992 38 S CB 0.809 64.049 63.200 0.067 0.000 0.935 38 S HN 1.074 nan 8.310 nan 0.000 0.564 39 E N 0.864 121.117 120.200 0.089 0.000 2.077 39 E HA -0.234 4.119 4.350 0.005 0.000 0.193 39 E C 1.975 178.676 176.600 0.168 0.000 0.989 39 E CA 1.590 58.053 56.400 0.105 0.000 0.800 39 E CB -0.221 29.508 29.700 0.049 0.000 0.746 39 E HN 0.910 nan 8.360 nan 0.000 0.452 40 E N 0.104 120.377 120.200 0.121 0.000 2.152 40 E HA -0.176 4.177 4.350 0.005 0.000 0.192 40 E C 1.808 178.489 176.600 0.135 0.000 0.983 40 E CA 0.879 57.348 56.400 0.115 0.000 0.818 40 E CB -0.172 29.566 29.700 0.063 0.000 0.758 40 E HN 0.332 nan 8.360 nan 0.000 0.467 41 E N 0.439 120.719 120.200 0.133 0.000 2.106 41 E HA -0.160 4.193 4.350 0.005 0.000 0.192 41 E C 1.612 178.302 176.600 0.150 0.000 0.984 41 E CA 1.064 57.541 56.400 0.128 0.000 0.806 41 E CB -0.212 29.551 29.700 0.105 0.000 0.750 41 E HN 0.380 nan 8.360 nan 0.000 0.458 42 W N 1.447 122.758 121.300 0.018 0.000 2.381 42 W HA -0.149 4.512 4.660 0.002 0.000 0.301 42 W C 2.407 178.924 176.519 -0.003 0.000 1.205 42 W CA 1.969 59.306 57.345 -0.013 0.000 1.285 42 W CB -0.209 29.237 29.460 -0.024 0.000 1.133 42 W HN 0.022 nan 8.180 nan 0.000 0.521 43 A N -0.842 122.155 122.820 0.296 0.000 1.908 43 A HA -0.314 4.009 4.320 0.005 0.000 0.218 43 A C 2.070 179.655 177.584 0.000 0.000 1.181 43 A CA 2.002 54.143 52.037 0.173 0.000 0.627 43 A CB -1.536 17.586 19.000 0.205 0.000 0.818 43 A HN 0.629 nan 8.150 nan 0.000 0.445 44 H N -0.526 118.509 119.070 -0.058 0.000 2.357 44 H HA -0.099 4.459 4.556 0.004 0.000 0.301 44 H C 2.009 177.241 175.328 -0.159 0.000 1.082 44 H CA 1.873 57.871 56.048 -0.083 0.000 1.342 44 H CB 0.028 29.762 29.762 -0.047 0.000 1.389 44 H HN 0.440 nan 8.280 nan 0.000 0.511 45 T N 0.827 115.218 114.554 -0.271 0.000 2.788 45 T HA -0.140 4.212 4.350 0.005 0.000 0.268 45 T C 1.992 176.400 174.700 -0.487 0.000 1.044 45 T CA 1.521 63.388 62.100 -0.389 0.000 1.139 45 T CB -0.096 68.548 68.868 -0.373 0.000 0.867 45 T HN 0.352 nan 8.240 nan 0.000 0.454 46 K N 0.883 120.900 120.400 -0.638 0.000 2.097 46 K HA -0.169 4.153 4.320 0.005 0.000 0.206 46 K C 2.465 178.866 176.600 -0.332 0.000 1.049 46 K CA 1.317 57.248 56.287 -0.592 0.000 0.933 46 K CB -0.113 31.964 32.500 -0.704 0.000 0.717 46 K HN 0.370 nan 8.250 nan 0.000 0.442 47 Q N 0.594 120.219 119.800 -0.291 0.000 2.050 47 Q HA -0.173 4.170 4.340 0.005 0.000 0.202 47 Q C 2.139 178.000 176.000 -0.232 0.000 0.980 47 Q CA 1.595 57.269 55.803 -0.215 0.000 0.840 47 Q CB -0.076 28.548 28.738 -0.191 0.000 0.898 47 Q HN 0.394 nan 8.270 nan 0.000 0.424 48 L N -0.024 120.999 121.223 -0.333 0.000 2.046 48 L HA -0.178 4.165 4.340 0.005 0.000 0.208 48 L C 2.472 179.227 176.870 -0.192 0.000 1.077 48 L CA 0.755 55.424 54.840 -0.284 0.000 0.747 48 L CB -0.446 41.392 42.059 -0.369 0.000 0.896 48 L HN 0.146 nan 8.230 nan 0.000 0.432 49 V N -0.237 119.555 119.914 -0.204 0.000 2.343 49 V HA -0.285 3.838 4.120 0.005 0.000 0.247 49 V C 2.123 178.191 176.094 -0.043 0.000 1.051 49 V CA 1.853 64.084 62.300 -0.115 0.000 1.036 49 V CB -0.484 31.255 31.823 -0.139 0.000 0.654 49 V HN 0.435 nan 8.190 nan 0.000 0.451 50 D N -0.317 120.029 120.400 -0.089 0.000 2.144 50 D HA -0.149 4.494 4.640 0.005 0.000 0.200 50 D C 2.223 178.495 176.300 -0.048 0.000 0.978 50 D CA 1.123 55.084 54.000 -0.065 0.000 0.833 50 D CB -0.081 40.675 40.800 -0.073 0.000 0.961 50 D HN 0.551 nan 8.370 nan 0.000 0.470 51 E N -0.338 119.833 120.200 -0.049 0.000 2.077 51 E HA -0.161 4.192 4.350 0.005 0.000 0.193 51 E C 1.876 178.478 176.600 0.003 0.000 0.989 51 E CA 0.452 56.832 56.400 -0.033 0.000 0.800 51 E CB -0.153 29.521 29.700 -0.044 0.000 0.746 51 E HN 0.191 nan 8.360 nan 0.000 0.452 52 F N 2.156 122.012 119.950 -0.156 0.000 2.171 52 F HA -0.173 4.356 4.527 0.004 0.000 0.300 52 F C 2.213 177.932 175.800 -0.134 0.000 1.090 52 F CA 1.709 59.609 58.000 -0.167 0.000 1.293 52 F CB -0.003 38.854 39.000 -0.239 0.000 1.013 52 F HN -0.045 nan 8.300 nan 0.000 0.486 53 Q N 0.229 119.944 119.800 -0.141 0.000 2.280 53 Q HA 0.381 4.724 4.340 0.005 0.000 0.201 53 Q C 0.546 176.451 176.000 -0.158 0.000 0.890 53 Q CA 0.148 55.820 55.803 -0.219 0.000 0.947 53 Q CB -0.206 28.466 28.738 -0.110 0.000 1.081 53 Q HN 0.262 nan 8.270 nan 0.000 0.502 54 A N 1.441 124.184 122.820 -0.128 0.000 2.520 54 A HA 0.148 4.471 4.320 0.005 0.000 0.235 54 A C 0.228 177.750 177.584 -0.104 0.000 1.065 54 A CA -0.009 51.972 52.037 -0.094 0.000 0.764 54 A CB 0.477 19.432 19.000 -0.074 0.000 1.002 54 A HN 0.396 nan 8.150 nan 0.000 0.502 55 S N 0.805 116.458 115.700 -0.078 0.000 2.546 55 S HA 0.379 4.852 4.470 0.005 0.000 0.290 55 S C 1.483 176.039 174.600 -0.074 0.000 1.290 55 S CA 1.091 59.247 58.200 -0.073 0.000 1.069 55 S CB -0.409 62.759 63.200 -0.053 0.000 0.846 55 S HN 2.472 nan 8.310 nan 0.000 0.495 56 G N 3.273 112.025 108.800 -0.079 0.000 2.155 56 G HA2 -0.189 3.774 3.960 0.005 0.000 0.257 56 G HA3 -0.189 3.774 3.960 0.005 0.000 0.257 56 G C 0.524 175.372 174.900 -0.086 0.000 0.983 56 G CA 0.294 45.350 45.100 -0.073 0.000 0.676 56 G HN 1.193 nan 8.290 nan 0.000 0.528 57 G N -1.469 107.259 108.800 -0.119 0.000 2.532 57 G HA2 0.562 4.524 3.960 0.005 0.000 0.291 57 G HA3 0.562 4.524 3.960 0.005 0.000 0.291 57 G C 1.246 176.038 174.900 -0.180 0.000 1.349 57 G CA 0.349 45.366 45.100 -0.138 0.000 1.038 57 G HN 0.646 nan 8.290 nan 0.000 0.518 58 V N 0.967 120.768 119.914 -0.189 0.000 2.295 58 V HA -0.117 4.006 4.120 0.005 0.000 0.246 58 V C 3.131 178.984 176.094 -0.402 0.000 1.049 58 V CA 2.546 64.736 62.300 -0.184 0.000 1.024 58 V CB -1.173 30.631 31.823 -0.031 0.000 0.648 58 V HN 0.828 nan 8.190 nan 0.000 0.447 59 G N -0.366 107.875 108.800 -0.932 0.000 2.476 59 G HA2 -0.269 3.694 3.960 0.005 0.000 0.218 59 G HA3 -0.269 3.694 3.960 0.005 0.000 0.218 59 G C 1.449 176.033 174.900 -0.527 0.000 1.164 59 G CA 1.029 45.345 45.100 -1.307 0.000 0.768 59 G HN 0.591 nan 8.290 nan 0.000 0.560 60 E N -0.151 119.831 120.200 -0.364 0.000 2.153 60 E HA -0.120 4.233 4.350 0.005 0.000 0.194 60 E C 2.492 179.008 176.600 -0.141 0.000 0.988 60 E CA 0.678 56.957 56.400 -0.202 0.000 0.811 60 E CB -0.114 29.493 29.700 -0.156 0.000 0.746 60 E HN 0.453 nan 8.360 nan 0.000 0.466 61 R N 1.151 121.567 120.500 -0.139 0.000 2.075 61 R HA -0.118 4.225 4.340 0.005 0.000 0.232 61 R C 2.287 178.556 176.300 -0.052 0.000 1.126 61 R CA 0.993 57.045 56.100 -0.079 0.000 0.963 61 R CB -0.143 30.119 30.300 -0.063 0.000 0.858 61 R HN 0.142 nan 8.270 nan 0.000 0.435 62 L N 0.489 121.678 121.223 -0.056 0.000 2.093 62 L HA -0.136 4.206 4.340 0.005 0.000 0.208 62 L C 2.703 179.574 176.870 0.001 0.000 1.085 62 L CA 1.154 55.999 54.840 0.007 0.000 0.755 62 L CB -0.466 41.635 42.059 0.069 0.000 0.904 62 L HN 0.292 nan 8.230 nan 0.000 0.435 63 Q N 0.767 120.545 119.800 -0.036 0.000 2.084 63 Q HA -0.225 4.118 4.340 0.005 0.000 0.202 63 Q C 2.246 178.215 176.000 -0.052 0.000 0.978 63 Q CA 1.619 57.410 55.803 -0.021 0.000 0.844 63 Q CB -0.131 28.589 28.738 -0.030 0.000 0.898 63 Q HN 0.075 nan 8.270 nan 0.000 0.426 64 K N -0.393 119.975 120.400 -0.052 0.000 2.147 64 K HA -0.062 4.260 4.320 0.005 0.000 0.205 64 K C 1.867 178.441 176.600 -0.043 0.000 1.049 64 K CA 1.350 57.607 56.287 -0.050 0.000 0.936 64 K CB -0.679 31.795 32.500 -0.044 0.000 0.722 64 K HN 0.392 nan 8.250 nan 0.000 0.446 65 G N 1.393 110.179 108.800 -0.023 0.000 2.418 65 G HA2 -0.198 3.765 3.960 0.005 0.000 0.217 65 G HA3 -0.198 3.765 3.960 0.005 0.000 0.217 65 G C 1.720 176.609 174.900 -0.020 0.000 1.158 65 G CA 0.535 45.636 45.100 0.003 0.000 0.771 65 G HN 0.263 nan 8.290 nan 0.000 0.545 66 L N 0.080 121.262 121.223 -0.067 0.000 2.093 66 L HA -0.015 4.327 4.340 0.005 0.000 0.208 66 L C 2.871 179.583 176.870 -0.264 0.000 1.085 66 L CA 1.077 55.792 54.840 -0.210 0.000 0.755 66 L CB -0.430 41.394 42.059 -0.391 0.000 0.904 66 L HN 0.306 nan 8.230 nan 0.000 0.435 67 E N -0.125 119.959 120.200 -0.194 0.000 2.110 67 E HA -0.244 4.109 4.350 0.005 0.000 0.193 67 E C 2.233 178.777 176.600 -0.095 0.000 0.988 67 E CA 0.792 57.098 56.400 -0.156 0.000 0.804 67 E CB -0.088 29.545 29.700 -0.112 0.000 0.745 67 E HN 0.345 nan 8.360 nan 0.000 0.458 68 R N 1.344 121.802 120.500 -0.070 0.000 2.066 68 R HA -0.112 4.231 4.340 0.005 0.000 0.232 68 R C 2.402 178.680 176.300 -0.037 0.000 1.131 68 R CA 1.236 57.312 56.100 -0.041 0.000 0.955 68 R CB -0.069 30.216 30.300 -0.026 0.000 0.851 68 R HN -0.005 nan 8.270 nan 0.000 0.432 69 R N 0.062 120.533 120.500 -0.049 0.000 2.091 69 R HA -0.133 4.210 4.340 0.005 0.000 0.238 69 R C 2.057 178.357 176.300 -0.000 0.000 1.136 69 R CA 1.672 57.746 56.100 -0.045 0.000 0.959 69 R CB -0.318 29.937 30.300 -0.075 0.000 0.856 69 R HN 0.332 nan 8.270 nan 0.000 0.437 70 A N 0.362 123.183 122.820 0.003 0.000 2.019 70 A HA -0.125 4.197 4.320 0.005 0.000 0.219 70 A C 2.052 179.662 177.584 0.043 0.000 1.164 70 A CA 1.239 53.322 52.037 0.075 0.000 0.644 70 A CB -0.260 18.758 19.000 0.030 0.000 0.805 70 A HN 0.285 nan 8.150 nan 0.000 0.449 71 R N -0.786 119.718 120.500 0.008 0.000 2.240 71 R HA 0.090 4.432 4.340 0.005 0.000 0.203 71 R C 1.231 177.535 176.300 0.007 0.000 1.011 71 R CA 0.972 57.076 56.100 0.006 0.000 1.007 71 R CB 0.052 30.348 30.300 -0.006 0.000 0.911 71 R HN 0.448 nan 8.270 nan 0.000 0.468 72 K N -0.768 119.633 120.400 0.003 0.000 2.374 72 K HA 0.097 4.420 4.320 0.005 0.000 0.202 72 K C -0.147 176.451 176.600 -0.004 0.000 1.040 72 K CA 0.264 56.549 56.287 -0.004 0.000 1.085 72 K CB 1.387 33.878 32.500 -0.014 0.000 0.873 72 K HN 0.101 nan 8.250 nan 0.000 0.539 73 T N -3.165 111.394 114.554 0.009 0.000 2.901 73 T HA 0.295 4.648 4.350 0.005 0.000 0.293 73 T C 0.641 175.367 174.700 0.043 0.000 1.084 73 T CA -0.887 61.217 62.100 0.008 0.000 1.008 73 T CB 1.984 70.839 68.868 -0.021 0.000 1.170 73 T HN -0.088 nan 8.240 nan 0.000 0.509 74 E N 0.507 120.740 120.200 0.054 0.000 2.152 74 E HA -0.002 4.351 4.350 0.005 0.000 0.192 74 E C 0.372 177.053 176.600 0.135 0.000 0.983 74 E CA 0.520 57.003 56.400 0.138 0.000 0.818 74 E CB 0.171 29.988 29.700 0.196 0.000 0.758 74 E HN 0.542 nan 8.360 nan 0.000 0.467 75 N N -0.278 118.434 118.700 0.020 0.000 2.572 75 N HA -0.029 4.714 4.740 0.005 0.000 0.287 75 N C 0.032 175.476 175.510 -0.110 0.000 1.136 75 N CA -0.464 52.546 53.050 -0.068 0.000 0.900 75 N CB 0.525 38.918 38.487 -0.156 0.000 1.484 75 N HN 0.162 nan 8.380 nan 0.000 0.526 76 W N 3.907 125.151 121.300 -0.094 0.000 2.387 76 W HA -0.081 4.582 4.660 0.005 0.000 0.272 76 W C 0.347 176.760 176.519 -0.175 0.000 1.224 76 W CA 0.337 57.586 57.345 -0.160 0.000 1.210 76 W CB -0.143 29.246 29.460 -0.118 0.000 1.125 76 W HN 0.435 nan 8.180 nan 0.000 0.572 77 L N 2.473 123.239 121.223 -0.761 0.000 2.470 77 L HA 0.049 4.392 4.340 0.005 0.000 0.219 77 L C 2.846 179.603 176.870 -0.188 0.000 1.071 77 L CA 1.829 56.287 54.840 -0.636 0.000 0.850 77 L CB -0.628 40.661 42.059 -1.284 0.000 1.040 77 L HN 0.002 nan 8.230 nan 0.000 0.475 78 S N -0.353 115.229 115.700 -0.198 0.000 2.368 78 S HA -0.312 4.160 4.470 0.005 0.000 0.226 78 S C 1.730 176.370 174.600 0.067 0.000 1.044 78 S CA 1.868 60.045 58.200 -0.038 0.000 1.062 78 S CB -0.889 62.260 63.200 -0.086 0.000 0.931 78 S HN 0.641 nan 8.310 nan 0.000 0.440 79 E N -0.052 120.151 120.200 0.005 0.000 2.051 79 E HA -0.109 4.244 4.350 0.005 0.000 0.192 79 E C 1.978 178.690 176.600 0.187 0.000 0.991 79 E CA 1.230 57.657 56.400 0.046 0.000 0.799 79 E CB -0.261 29.413 29.700 -0.044 0.000 0.748 79 E HN 0.622 nan 8.360 nan 0.000 0.449 80 W N 0.858 122.201 121.300 0.072 0.000 2.358 80 W HA -0.171 4.491 4.660 0.004 0.000 0.303 80 W C 2.044 178.619 176.519 0.093 0.000 1.208 80 W CA 0.388 57.782 57.345 0.081 0.000 1.274 80 W CB -1.136 28.397 29.460 0.122 0.000 1.138 80 W HN 0.314 nan 8.180 nan 0.000 0.515 81 W N 0.469 121.856 121.300 0.146 0.000 2.378 81 W HA -0.227 4.436 4.660 0.005 0.000 0.313 81 W C 2.177 178.697 176.519 0.001 0.000 1.197 81 W CA 1.263 58.615 57.345 0.011 0.000 1.304 81 W CB -0.725 28.713 29.460 -0.035 0.000 1.148 81 W HN -0.192 nan 8.180 nan 0.000 0.494 82 L N 2.139 123.411 121.223 0.081 0.000 2.042 82 L HA -0.235 4.107 4.340 0.005 0.000 0.210 82 L C 2.576 179.429 176.870 -0.029 0.000 1.076 82 L CA 2.593 57.470 54.840 0.062 0.000 0.749 82 L CB -1.165 40.972 42.059 0.129 0.000 0.893 82 L HN -0.091 nan 8.230 nan 0.000 0.432 83 K N -1.184 119.217 120.400 0.001 0.000 2.001 83 K HA -0.181 4.141 4.320 0.005 0.000 0.208 83 K C 2.048 178.580 176.600 -0.113 0.000 1.048 83 K CA 2.064 58.346 56.287 -0.009 0.000 0.932 83 K CB -0.340 32.202 32.500 0.070 0.000 0.715 83 K HN 0.627 nan 8.250 nan 0.000 0.437 84 T N -1.756 112.695 114.554 -0.173 0.000 2.857 84 T HA 0.041 4.394 4.350 0.005 0.000 0.266 84 T C 1.970 176.368 174.700 -0.503 0.000 1.048 84 T CA 0.933 62.875 62.100 -0.264 0.000 1.139 84 T CB -0.138 68.606 68.868 -0.207 0.000 0.874 84 T HN 0.242 nan 8.240 nan 0.000 0.455 85 A N -0.448 121.813 122.820 -0.931 0.000 1.975 85 A HA 0.327 4.650 4.320 0.005 0.000 0.215 85 A C 1.688 178.515 177.584 -1.262 0.000 1.170 85 A CA 0.606 51.770 52.037 -1.454 0.000 0.656 85 A CB -0.352 17.023 19.000 -2.709 0.000 0.821 85 A HN 0.622 nan 8.150 nan 0.000 0.449 86 Y N -1.402 118.654 120.300 -0.406 0.000 2.886 86 Y HA 0.299 4.851 4.550 0.005 0.000 0.244 86 Y C 1.958 177.813 175.900 -0.076 0.000 1.017 86 Y CA -0.147 57.832 58.100 -0.200 0.000 1.389 86 Y CB -0.469 37.880 38.460 -0.185 0.000 1.477 86 Y HN 0.003 nan 8.280 nan 0.000 0.466 87 L N 0.392 121.666 121.223 0.085 0.000 2.129 87 L HA -0.250 4.092 4.340 0.005 0.000 0.212 87 L C 1.488 178.366 176.870 0.013 0.000 1.087 87 L CA 1.794 56.661 54.840 0.045 0.000 0.757 87 L CB -0.536 41.542 42.059 0.031 0.000 0.896 87 L HN 0.401 nan 8.230 nan 0.000 0.434 88 Q N -1.574 118.220 119.800 -0.011 0.000 2.319 88 Q HA 0.012 4.355 4.340 0.005 0.000 0.202 88 Q C -0.199 175.806 176.000 0.009 0.000 0.896 88 Q CA -0.215 55.577 55.803 -0.017 0.000 0.942 88 Q CB 0.364 29.080 28.738 -0.038 0.000 1.083 88 Q HN 0.289 nan 8.270 nan 0.000 0.510 89 Y N 1.807 122.023 120.300 -0.139 0.000 2.436 89 Y HA 0.063 4.615 4.550 0.005 0.000 0.343 89 Y C 0.579 176.392 175.900 -0.144 0.000 1.008 89 Y CA -0.311 57.696 58.100 -0.156 0.000 1.241 89 Y CB 0.436 38.789 38.460 -0.178 0.000 1.153 89 Y HN -0.114 nan 8.280 nan 0.000 0.521 90 R N 2.830 123.040 120.500 -0.484 0.000 2.362 90 R HA 0.122 4.465 4.340 0.005 0.000 0.227 90 R C 0.077 175.784 176.300 -0.988 0.000 0.905 90 R CA -0.019 55.748 56.100 -0.554 0.000 1.067 90 R CB 0.079 30.197 30.300 -0.304 0.000 1.078 90 R HN 0.662 nan 8.270 nan 0.000 0.516 91 Q N 1.815 120.934 119.800 -1.135 0.000 2.417 91 Q HA 0.209 4.552 4.340 0.005 0.000 0.241 91 Q C -2.063 173.645 176.000 -0.486 0.000 1.008 91 Q CA -1.885 53.407 55.803 -0.851 0.000 0.901 91 Q CB 0.082 28.304 28.738 -0.860 0.000 1.259 91 Q HN 0.039 nan 8.270 nan 0.000 0.489 92 P HA -0.071 nan 4.420 nan 0.000 0.267 92 P C 0.907 178.204 177.300 -0.004 0.000 1.200 92 P CA 0.239 63.300 63.100 -0.065 0.000 0.772 92 P CB 0.417 32.112 31.700 -0.008 0.000 0.855 93 V N 0.796 120.670 119.914 -0.068 0.000 2.667 93 V HA -0.059 4.064 4.120 0.005 0.000 0.252 93 V C 1.010 177.022 176.094 -0.136 0.000 1.065 93 V CA 0.805 63.092 62.300 -0.022 0.000 1.083 93 V CB -0.947 30.876 31.823 -0.001 0.000 0.692 93 V HN 0.169 nan 8.190 nan 0.000 0.468 94 V N 2.127 121.834 119.914 -0.345 0.000 2.585 94 V HA 0.207 4.330 4.120 0.005 0.000 0.296 94 V C 1.405 177.218 176.094 -0.469 0.000 1.035 94 V CA 0.979 62.969 62.300 -0.516 0.000 1.084 94 V CB 0.158 31.518 31.823 -0.771 0.000 0.953 94 V HN 0.623 nan 8.190 nan 0.000 0.483 95 I N 1.587 121.972 120.570 -0.308 0.000 4.300 95 I HA -0.410 3.763 4.170 0.005 0.000 0.079 95 I C 1.218 177.247 176.117 -0.146 0.000 0.562 95 I CA 1.754 62.893 61.300 -0.269 0.000 1.126 95 I CB -1.198 36.493 38.000 -0.515 0.000 1.002 95 I HN 0.651 nan 8.210 nan 0.000 0.174 96 Y N -0.055 120.324 120.300 0.131 0.000 2.544 96 Y HA 0.161 4.714 4.550 0.005 0.000 0.286 96 Y C 2.250 178.263 175.900 0.188 0.000 1.141 96 Y CA 1.244 59.459 58.100 0.191 0.000 1.299 96 Y CB 0.036 38.612 38.460 0.194 0.000 1.030 96 Y HN 0.348 nan 8.280 nan 0.000 0.543 97 S N -2.051 113.781 115.700 0.221 0.000 3.552 97 S HA 0.146 4.619 4.470 0.005 0.000 0.251 97 S C 0.479 175.141 174.600 0.102 0.000 1.119 97 S CA -0.149 58.160 58.200 0.181 0.000 0.830 97 S CB -0.477 62.865 63.200 0.238 0.000 0.946 97 S HN 0.056 nan 8.310 nan 0.000 0.470 98 S N 4.231 119.930 115.700 -0.000 0.000 2.430 98 S HA 0.455 4.928 4.470 0.005 0.000 0.282 98 S C -2.690 171.818 174.600 -0.154 0.000 1.186 98 S CA -0.645 57.465 58.200 -0.150 0.000 1.060 98 S CB 1.032 64.192 63.200 -0.066 0.000 0.966 98 S HN 0.387 nan 8.310 nan 0.000 0.501 99 P HA 0.365 nan 4.420 nan 0.000 0.278 99 P C 0.081 177.285 177.300 -0.159 0.000 1.238 99 P CA -0.259 62.751 63.100 -0.150 0.000 0.794 99 P CB 0.723 32.333 31.700 -0.151 0.000 0.955 100 G N 0.537 109.210 108.800 -0.210 0.000 2.454 100 G HA2 0.615 4.578 3.960 0.005 0.000 0.329 100 G HA3 0.615 4.578 3.960 0.005 0.000 0.329 100 G C -1.470 172.857 174.900 -0.954 0.000 1.177 100 G CA -0.613 44.288 45.100 -0.331 0.000 0.951 100 G HN 0.362 nan 8.290 nan 0.000 0.485 101 V N 1.360 120.948 119.914 -0.543 0.000 2.760 101 V HA 0.574 4.697 4.120 0.005 0.000 0.309 101 V C -0.297 175.784 176.094 -0.022 0.000 1.077 101 V CA -0.667 61.373 62.300 -0.433 0.000 0.910 101 V CB 1.925 33.635 31.823 -0.188 0.000 1.008 101 V HN 0.856 nan 8.190 nan 0.000 0.424 102 M N 5.037 124.744 119.600 0.178 0.000 2.311 102 M HA 0.660 5.143 4.480 0.005 0.000 0.325 102 M C -1.659 174.763 176.300 0.203 0.000 1.061 102 M CA -0.421 55.057 55.300 0.297 0.000 0.957 102 M CB 1.461 34.315 32.600 0.424 0.000 1.646 102 M HN 0.573 nan 8.290 nan 0.000 0.434 103 L N 4.850 126.185 121.223 0.187 0.000 2.400 103 L HA 0.652 4.994 4.340 0.005 0.000 0.264 103 L C -2.131 174.819 176.870 0.133 0.000 1.061 103 L CA -2.036 52.903 54.840 0.165 0.000 0.799 103 L CB 1.140 43.318 42.059 0.199 0.000 1.240 103 L HN 0.538 nan 8.230 nan 0.000 0.461 104 P HA 0.028 nan 4.420 nan 0.000 0.269 104 P C -1.086 176.223 177.300 0.016 0.000 1.209 104 P CA -0.346 62.792 63.100 0.062 0.000 0.776 104 P CB 0.418 32.146 31.700 0.046 0.000 0.876 105 K N 3.049 123.446 120.400 -0.004 0.000 2.451 105 K HA -0.009 4.313 4.320 0.005 0.000 0.280 105 K C 0.112 176.594 176.600 -0.196 0.000 1.020 105 K CA -0.129 56.115 56.287 -0.071 0.000 1.008 105 K CB 0.259 32.729 32.500 -0.050 0.000 0.917 105 K HN 0.353 nan 8.250 nan 0.000 0.478 106 Q N 2.429 122.003 119.800 -0.376 0.000 2.354 106 Q HA -0.010 4.333 4.340 0.005 0.000 0.244 106 Q C 0.297 175.935 176.000 -0.604 0.000 0.969 106 Q CA -0.019 55.440 55.803 -0.573 0.000 0.885 106 Q CB 1.168 29.382 28.738 -0.874 0.000 1.241 106 Q HN 0.776 nan 8.270 nan 0.000 0.461 107 D N -0.043 120.120 120.400 -0.394 0.000 2.339 107 D HA -0.026 4.617 4.640 0.005 0.000 0.217 107 D C 0.318 176.512 176.300 -0.177 0.000 1.050 107 D CA -0.185 53.665 54.000 -0.251 0.000 0.856 107 D CB -0.417 40.308 40.800 -0.125 0.000 0.922 107 D HN 0.338 nan 8.370 nan 0.000 0.518 108 F N 0.646 120.547 119.950 -0.081 0.000 2.518 108 F HA 0.286 4.816 4.527 0.005 0.000 0.359 108 F C 1.283 177.067 175.800 -0.028 0.000 1.118 108 F CA -1.163 56.811 58.000 -0.043 0.000 1.287 108 F CB 0.535 39.519 39.000 -0.027 0.000 1.132 108 F HN -0.174 nan 8.300 nan 0.000 0.587 109 V N -1.973 118.085 119.914 0.240 0.000 3.604 109 V HA 0.293 4.415 4.120 0.005 0.000 0.277 109 V C -0.449 175.732 176.094 0.144 0.000 1.399 109 V CA 0.476 62.865 62.300 0.148 0.000 1.034 109 V CB -0.604 31.256 31.823 0.061 0.000 0.824 109 V HN 0.867 nan 8.190 nan 0.000 0.439 110 D N -0.932 119.545 120.400 0.129 0.000 2.585 110 D HA 0.385 5.028 4.640 0.005 0.000 0.254 110 D C 0.715 176.985 176.300 -0.051 0.000 1.067 110 D CA -0.632 53.391 54.000 0.038 0.000 1.090 110 D CB 1.443 42.247 40.800 0.006 0.000 1.408 110 D HN -0.091 nan 8.370 nan 0.000 0.554 111 L N -0.210 120.918 121.223 -0.159 0.000 2.083 111 L HA -0.137 4.206 4.340 0.005 0.000 0.209 111 L C 2.097 178.797 176.870 -0.283 0.000 1.083 111 L CA 1.848 56.467 54.840 -0.368 0.000 0.752 111 L CB -0.863 40.855 42.059 -0.568 0.000 0.899 111 L HN 0.579 nan 8.230 nan 0.000 0.433 112 Q N -0.150 119.582 119.800 -0.113 0.000 2.045 112 Q HA -0.196 4.147 4.340 0.005 0.000 0.206 112 Q C 2.053 178.060 176.000 0.013 0.000 0.991 112 Q CA 2.168 58.004 55.803 0.055 0.000 0.851 112 Q CB -0.718 28.037 28.738 0.029 0.000 0.911 112 Q HN 0.611 nan 8.270 nan 0.000 0.418 113 G N 0.761 109.531 108.800 -0.049 0.000 2.418 113 G HA2 -0.323 3.640 3.960 0.005 0.000 0.217 113 G HA3 -0.323 3.640 3.960 0.005 0.000 0.217 113 G C 1.353 176.036 174.900 -0.363 0.000 1.158 113 G CA 0.914 45.992 45.100 -0.036 0.000 0.771 113 G HN 0.524 nan 8.290 nan 0.000 0.545 114 Q N -0.225 119.100 119.800 -0.791 0.000 2.020 114 Q HA -0.005 4.338 4.340 0.005 0.000 0.202 114 Q C 2.578 178.269 176.000 -0.515 0.000 0.982 114 Q CA 1.032 56.011 55.803 -1.372 0.000 0.838 114 Q CB -0.221 27.959 28.738 -0.930 0.000 0.899 114 Q HN 0.498 nan 8.270 nan 0.000 0.423 115 L N 0.185 121.234 121.223 -0.290 0.000 2.201 115 L HA -0.121 4.222 4.340 0.005 0.000 0.212 115 L C 2.636 179.589 176.870 0.138 0.000 1.105 115 L CA 0.500 55.268 54.840 -0.120 0.000 0.775 115 L CB -0.410 41.458 42.059 -0.318 0.000 0.913 115 L HN 0.161 nan 8.230 nan 0.000 0.440 116 R N -0.187 120.434 120.500 0.202 0.000 2.081 116 R HA -0.153 4.190 4.340 0.005 0.000 0.235 116 R C 2.164 178.539 176.300 0.125 0.000 1.131 116 R CA 1.382 57.574 56.100 0.154 0.000 0.960 116 R CB -0.910 29.400 30.300 0.016 0.000 0.856 116 R HN 0.259 nan 8.270 nan 0.000 0.436 117 F N 1.402 121.339 119.950 -0.021 0.000 2.113 117 F HA -0.079 4.451 4.527 0.004 0.000 0.297 117 F C 2.225 178.044 175.800 0.031 0.000 1.103 117 F CA 1.232 59.256 58.000 0.039 0.000 1.248 117 F CB -0.470 38.605 39.000 0.125 0.000 0.999 117 F HN 0.025 nan 8.300 nan 0.000 0.475 118 A N 0.428 123.221 122.820 -0.047 0.000 1.940 118 A HA -0.080 4.242 4.320 0.005 0.000 0.219 118 A C 2.409 179.908 177.584 -0.143 0.000 1.176 118 A CA 1.860 53.823 52.037 -0.123 0.000 0.631 118 A CB -1.561 17.427 19.000 -0.021 0.000 0.814 118 A HN 0.510 nan 8.150 nan 0.000 0.446 119 A N -0.578 122.207 122.820 -0.059 0.000 1.898 119 A HA -0.118 4.204 4.320 0.005 0.000 0.216 119 A C 2.079 179.627 177.584 -0.060 0.000 1.181 119 A CA 2.179 54.201 52.037 -0.025 0.000 0.620 119 A CB -0.366 18.683 19.000 0.081 0.000 0.819 119 A HN 0.387 nan 8.150 nan 0.000 0.442 120 K N -0.759 119.592 120.400 -0.082 0.000 2.097 120 K HA -0.021 4.301 4.320 0.005 0.000 0.205 120 K C 1.727 178.237 176.600 -0.150 0.000 1.050 120 K CA 0.927 57.186 56.287 -0.047 0.000 0.938 120 K CB -0.467 32.017 32.500 -0.027 0.000 0.718 120 K HN 0.350 nan 8.250 nan 0.000 0.442 121 L N 0.617 121.615 121.223 -0.375 0.000 2.017 121 L HA -0.067 4.275 4.340 0.005 0.000 0.208 121 L C 1.854 178.492 176.870 -0.386 0.000 1.073 121 L CA 1.565 56.112 54.840 -0.489 0.000 0.745 121 L CB -0.328 41.322 42.059 -0.682 0.000 0.894 121 L HN 0.199 nan 8.230 nan 0.000 0.432 122 I N -0.816 119.625 120.570 -0.215 0.000 2.179 122 I HA -0.290 3.883 4.170 0.005 0.000 0.242 122 I C 2.446 178.495 176.117 -0.114 0.000 1.088 122 I CA 1.381 62.665 61.300 -0.027 0.000 1.357 122 I CB -0.246 37.764 38.000 0.016 0.000 1.051 122 I HN 0.299 nan 8.210 nan 0.000 0.409 123 E N 1.178 121.287 120.200 -0.152 0.000 2.110 123 E HA -0.158 4.194 4.350 0.005 0.000 0.193 123 E C 2.133 178.408 176.600 -0.543 0.000 0.988 123 E CA 1.474 57.749 56.400 -0.208 0.000 0.804 123 E CB -0.425 29.259 29.700 -0.027 0.000 0.745 123 E HN 0.436 nan 8.360 nan 0.000 0.458 124 G N -0.316 108.108 108.800 -0.627 0.000 2.422 124 G HA2 -0.210 3.753 3.960 0.005 0.000 0.218 124 G HA3 -0.210 3.753 3.960 0.005 0.000 0.218 124 G C 1.677 176.347 174.900 -0.384 0.000 1.146 124 G CA 0.949 45.563 45.100 -0.810 0.000 0.769 124 G HN 0.255 nan 8.290 nan 0.000 0.547 125 V N 1.023 120.725 119.914 -0.353 0.000 2.427 125 V HA -0.079 4.043 4.120 0.005 0.000 0.248 125 V C 2.869 178.886 176.094 -0.128 0.000 1.051 125 V CA 1.217 63.329 62.300 -0.314 0.000 1.048 125 V CB -0.368 31.038 31.823 -0.696 0.000 0.666 125 V HN 0.341 nan 8.190 nan 0.000 0.456 126 L N -0.029 121.123 121.223 -0.119 0.000 2.141 126 L HA -0.184 4.159 4.340 0.005 0.000 0.209 126 L C 2.292 179.152 176.870 -0.016 0.000 1.094 126 L CA 1.875 56.700 54.840 -0.026 0.000 0.763 126 L CB -0.642 41.360 42.059 -0.096 0.000 0.908 126 L HN 0.392 nan 8.230 nan 0.000 0.437 127 D N 0.014 120.350 120.400 -0.107 0.000 2.117 127 D HA -0.246 4.397 4.640 0.005 0.000 0.198 127 D C 2.010 178.321 176.300 0.018 0.000 0.982 127 D CA 1.006 54.997 54.000 -0.016 0.000 0.828 127 D CB -0.014 40.736 40.800 -0.083 0.000 0.967 127 D HN 0.200 nan 8.370 nan 0.000 0.464 128 F N 1.288 121.112 119.950 -0.210 0.000 2.171 128 F HA -0.069 4.461 4.527 0.004 0.000 0.300 128 F C 2.102 177.722 175.800 -0.300 0.000 1.090 128 F CA 1.321 59.024 58.000 -0.495 0.000 1.293 128 F CB -0.125 38.553 39.000 -0.536 0.000 1.013 128 F HN -0.172 nan 8.300 nan 0.000 0.486 129 K N -0.006 120.381 120.400 -0.022 0.000 2.209 129 K HA -0.128 4.195 4.320 0.005 0.000 0.204 129 K C 1.869 178.413 176.600 -0.093 0.000 1.048 129 K CA 1.306 57.575 56.287 -0.031 0.000 0.940 129 K CB -0.208 32.354 32.500 0.103 0.000 0.729 129 K HN 0.247 nan 8.250 nan 0.000 0.451 130 V N 1.458 121.324 119.914 -0.081 0.000 2.332 130 V HA -0.310 3.813 4.120 0.005 0.000 0.248 130 V C 2.278 178.295 176.094 -0.129 0.000 1.055 130 V CA 2.020 64.285 62.300 -0.057 0.000 1.038 130 V CB -0.367 31.445 31.823 -0.018 0.000 0.651 130 V HN 0.430 nan 8.190 nan 0.000 0.450 131 M N -1.152 118.284 119.600 -0.274 0.000 2.254 131 M HA -0.091 4.391 4.480 0.005 0.000 0.265 131 M C 2.109 178.237 176.300 -0.287 0.000 1.066 131 M CA 1.479 56.589 55.300 -0.318 0.000 1.123 131 M CB -0.337 31.943 32.600 -0.533 0.000 1.388 131 M HN 0.238 nan 8.290 nan 0.000 0.425 132 I N 0.589 120.935 120.570 -0.374 0.000 2.202 132 I HA -0.246 3.926 4.170 0.005 0.000 0.242 132 I C 1.855 177.994 176.117 0.038 0.000 1.091 132 I CA 1.600 62.733 61.300 -0.279 0.000 1.368 132 I CB -1.416 36.424 38.000 -0.266 0.000 1.058 132 I HN 0.258 nan 8.210 nan 0.000 0.410 133 D N 1.009 121.407 120.400 -0.004 0.000 2.144 133 D HA -0.158 4.484 4.640 0.005 0.000 0.199 133 D C 1.620 177.940 176.300 0.034 0.000 0.984 133 D CA 1.187 55.205 54.000 0.029 0.000 0.834 133 D CB -0.316 40.481 40.800 -0.005 0.000 0.955 133 D HN 0.338 nan 8.370 nan 0.000 0.465 134 N N 0.455 119.164 118.700 0.015 0.000 2.336 134 N HA 0.017 4.760 4.740 0.005 0.000 0.189 134 N C -0.472 175.061 175.510 0.039 0.000 1.113 134 N CA 0.038 53.097 53.050 0.015 0.000 0.858 134 N CB 0.234 38.718 38.487 -0.006 0.000 0.970 134 N HN 0.125 nan 8.380 nan 0.000 0.471 135 E N -0.842 119.422 120.200 0.107 0.000 2.320 135 E HA -0.185 4.168 4.350 0.005 0.000 0.234 135 E C -0.482 176.172 176.600 0.090 0.000 1.183 135 E CA 0.919 57.419 56.400 0.167 0.000 0.713 135 E CB -1.923 27.797 29.700 0.033 0.000 1.226 135 E HN 0.535 nan 8.360 nan 0.000 0.382 136 T N -2.623 111.953 114.554 0.037 0.000 3.200 136 T HA 0.329 4.682 4.350 0.005 0.000 0.284 136 T C 0.227 174.890 174.700 -0.062 0.000 1.009 136 T CA -0.614 61.482 62.100 -0.007 0.000 0.907 136 T CB 0.247 69.101 68.868 -0.023 0.000 1.120 136 T HN 0.122 nan 8.240 nan 0.000 0.534 137 L N 4.812 125.980 121.223 -0.092 0.000 2.462 137 L HA 0.371 4.713 4.340 0.005 0.000 0.272 137 L C -1.985 174.823 176.870 -0.104 0.000 1.166 137 L CA -1.641 53.063 54.840 -0.227 0.000 0.880 137 L CB 0.113 41.944 42.059 -0.379 0.000 1.142 137 L HN 0.060 nan 8.230 nan 0.000 0.473 138 P HA 0.025 nan 4.420 nan 0.000 0.268 138 P C -0.798 176.502 177.300 -0.001 0.000 1.205 138 P CA -0.247 62.845 63.100 -0.013 0.000 0.771 138 P CB 0.714 32.419 31.700 0.008 0.000 0.858 139 V N 3.684 123.638 119.914 0.066 0.000 2.508 139 V HA 0.042 4.165 4.120 0.005 0.000 0.281 139 V C 1.080 177.234 176.094 0.100 0.000 1.041 139 V CA 0.054 62.381 62.300 0.046 0.000 1.016 139 V CB -0.156 31.677 31.823 0.017 0.000 0.984 139 V HN 0.543 nan 8.190 nan 0.000 0.478 140 E N 3.218 123.436 120.200 0.030 0.000 2.349 140 E HA 0.444 4.797 4.350 0.005 0.000 0.265 140 E C -1.476 175.121 176.600 -0.005 0.000 1.064 140 E CA -0.313 56.148 56.400 0.102 0.000 0.886 140 E CB 1.090 30.846 29.700 0.094 0.000 1.036 140 E HN 0.592 nan 8.360 nan 0.000 0.413 141 Y N 0.555 120.870 120.300 0.025 0.000 2.536 141 Y HA 0.500 5.052 4.550 0.004 0.000 0.347 141 Y C -0.745 175.161 175.900 0.010 0.000 1.000 141 Y CA -1.043 57.064 58.100 0.013 0.000 1.051 141 Y CB 1.540 40.005 38.460 0.008 0.000 1.259 141 Y HN 0.297 nan 8.280 nan 0.000 0.468 142 L N 1.385 122.688 121.223 0.133 0.000 2.482 142 L HA 0.676 5.019 4.340 0.005 0.000 0.269 142 L C 0.274 177.186 176.870 0.069 0.000 0.967 142 L CA -0.082 54.804 54.840 0.076 0.000 0.851 142 L CB 1.582 43.655 42.059 0.023 0.000 1.242 142 L HN 0.784 nan 8.230 nan 0.000 0.404 143 G N 3.332 112.172 108.800 0.066 0.000 2.305 143 G HA2 0.028 3.990 3.960 0.005 0.000 0.287 143 G HA3 0.028 3.990 3.960 0.005 0.000 0.287 143 G C 1.064 176.003 174.900 0.065 0.000 1.036 143 G CA 0.820 45.950 45.100 0.049 0.000 0.887 143 G HN 2.189 nan 8.290 nan 0.000 0.505 144 G N -1.721 107.144 108.800 0.108 0.000 2.179 144 G HA2 -0.271 3.692 3.960 0.005 0.000 0.260 144 G HA3 -0.271 3.692 3.960 0.005 0.000 0.260 144 G C 0.297 175.341 174.900 0.240 0.000 0.977 144 G CA 1.157 46.336 45.100 0.131 0.000 0.641 144 G HN 1.054 nan 8.290 nan 0.000 0.533 145 K N 1.348 121.867 120.400 0.199 0.000 2.221 145 K HA 0.492 4.815 4.320 0.005 0.000 0.258 145 K C -2.544 173.975 176.600 -0.135 0.000 0.944 145 K CA -2.048 54.287 56.287 0.080 0.000 0.823 145 K CB 2.801 35.279 32.500 -0.038 0.000 1.113 145 K HN 0.043 nan 8.250 nan 0.000 0.431 146 P HA 0.125 nan 4.420 nan 0.000 0.271 146 P C -0.809 176.250 177.300 -0.402 0.000 1.218 146 P CA -0.098 62.508 63.100 -0.824 0.000 0.780 146 P CB 0.783 32.125 31.700 -0.597 0.000 0.901 147 L N 1.900 122.920 121.223 -0.338 0.000 2.330 147 L HA 0.425 4.768 4.340 0.005 0.000 0.271 147 L C 0.850 177.680 176.870 -0.067 0.000 1.013 147 L CA -1.137 53.612 54.840 -0.152 0.000 0.816 147 L CB 1.822 43.835 42.059 -0.076 0.000 1.287 147 L HN 0.435 nan 8.230 nan 0.000 0.435 148 C N 3.359 122.652 119.300 -0.012 0.000 2.648 148 C HA 0.147 4.610 4.460 0.005 0.000 0.419 148 C C 1.334 176.393 174.990 0.115 0.000 1.352 148 C CA -0.296 58.751 59.018 0.049 0.000 1.816 148 C CB -0.075 27.692 27.740 0.044 0.000 2.598 148 C HN 0.751 nan 8.230 nan 0.000 0.598 149 M N 4.979 124.684 119.600 0.174 0.000 2.356 149 M HA 0.093 4.575 4.480 0.005 0.000 0.262 149 M C 1.507 178.060 176.300 0.422 0.000 1.097 149 M CA 0.250 55.764 55.300 0.356 0.000 0.991 149 M CB -1.693 31.105 32.600 0.331 0.000 1.450 149 M HN 0.871 nan 8.290 nan 0.000 0.495 150 N N 1.513 120.351 118.700 0.230 0.000 2.137 150 N HA -0.200 4.543 4.740 0.005 0.000 0.190 150 N C 1.595 177.231 175.510 0.210 0.000 1.017 150 N CA 1.779 54.947 53.050 0.197 0.000 0.859 150 N CB 0.118 38.633 38.487 0.047 0.000 1.002 150 N HN 0.434 nan 8.380 nan 0.000 0.428 151 Q N -1.312 118.538 119.800 0.083 0.000 2.135 151 Q HA -0.198 4.145 4.340 0.005 0.000 0.204 151 Q C 1.517 177.488 176.000 -0.049 0.000 0.981 151 Q CA 1.627 57.403 55.803 -0.045 0.000 0.856 151 Q CB -0.256 28.361 28.738 -0.201 0.000 0.902 151 Q HN 0.601 nan 8.270 nan 0.000 0.425 152 Y N -1.352 118.988 120.300 0.066 0.000 2.333 152 Y HA -0.212 4.340 4.550 0.005 0.000 0.290 152 Y C 1.266 177.115 175.900 -0.086 0.000 1.144 152 Y CA 0.989 59.079 58.100 -0.016 0.000 1.228 152 Y CB -0.155 38.266 38.460 -0.064 0.000 0.985 152 Y HN 0.193 nan 8.280 nan 0.000 0.542 153 Y N -0.544 119.858 120.300 0.170 0.000 2.471 153 Y HA -0.004 4.549 4.550 0.004 0.000 0.286 153 Y C 1.461 177.403 175.900 0.069 0.000 1.188 153 Y CA 0.059 58.220 58.100 0.103 0.000 1.286 153 Y CB 0.056 38.554 38.460 0.064 0.000 1.072 153 Y HN 0.133 nan 8.280 nan 0.000 0.517 154 Q N -0.963 118.930 119.800 0.155 0.000 2.246 154 Q HA 0.227 4.570 4.340 0.005 0.000 0.222 154 Q C 1.831 177.873 176.000 0.071 0.000 0.851 154 Q CA 0.297 56.157 55.803 0.096 0.000 0.945 154 Q CB 0.638 29.411 28.738 0.058 0.000 1.122 154 Q HN 0.573 nan 8.270 nan 0.000 0.508 155 I N 0.257 120.861 120.570 0.056 0.000 2.193 155 I HA -0.113 4.060 4.170 0.005 0.000 0.240 155 I C 0.909 177.077 176.117 0.085 0.000 1.084 155 I CA 0.826 62.146 61.300 0.033 0.000 1.365 155 I CB 0.055 38.038 38.000 -0.029 0.000 1.064 155 I HN 0.025 nan 8.210 nan 0.000 0.410 156 L N 0.344 121.632 121.223 0.109 0.000 2.399 156 L HA 0.223 4.566 4.340 0.005 0.000 0.266 156 L C 0.842 177.818 176.870 0.176 0.000 1.114 156 L CA -0.378 54.553 54.840 0.151 0.000 0.804 156 L CB 1.095 43.243 42.059 0.148 0.000 1.146 156 L HN 0.152 nan 8.230 nan 0.000 0.451 157 S N 0.172 115.994 115.700 0.203 0.000 3.581 157 S HA -0.164 4.308 4.470 0.005 0.000 0.354 157 S C 0.036 174.828 174.600 0.321 0.000 1.059 157 S CA 0.931 59.268 58.200 0.228 0.000 1.060 157 S CB -1.465 61.862 63.200 0.213 0.000 0.908 157 S HN 0.890 nan 8.310 nan 0.000 0.475 158 S N -1.392 114.468 115.700 0.266 0.000 2.632 158 S HA 0.886 5.358 4.470 0.005 0.000 0.289 158 S C -0.488 174.270 174.600 0.263 0.000 1.115 158 S CA -0.388 57.957 58.200 0.241 0.000 0.889 158 S CB 2.660 65.942 63.200 0.137 0.000 1.116 158 S HN 0.956 nan 8.310 nan 0.000 0.486 159 C N 0.976 120.422 119.300 0.242 0.000 3.247 159 C HA 0.608 5.071 4.460 0.005 0.000 0.375 159 C C -0.516 174.596 174.990 0.203 0.000 1.102 159 C CA -0.456 58.722 59.018 0.266 0.000 1.227 159 C CB 1.239 29.192 27.740 0.355 0.000 1.586 159 C HN 1.215 nan 8.230 nan 0.000 0.544 160 R N 2.936 123.550 120.500 0.190 0.000 2.539 160 R HA 0.697 5.040 4.340 0.005 0.000 0.275 160 R C -1.154 175.220 176.300 0.123 0.000 1.077 160 R CA -0.046 56.130 56.100 0.126 0.000 1.097 160 R CB 0.802 31.172 30.300 0.117 0.000 1.018 160 R HN 0.619 nan 8.270 nan 0.000 0.483 161 V N 6.537 126.464 119.914 0.022 0.000 2.483 161 V HA 0.362 4.485 4.120 0.005 0.000 0.297 161 V C -2.113 173.835 176.094 -0.243 0.000 1.027 161 V CA -1.930 60.302 62.300 -0.113 0.000 0.855 161 V CB 1.621 33.413 31.823 -0.051 0.000 0.995 161 V HN 0.887 nan 8.190 nan 0.000 0.424 162 P HA 0.302 nan 4.420 nan 0.000 0.269 162 P C -0.106 176.987 177.300 -0.345 0.000 1.209 162 P CA 0.333 63.151 63.100 -0.470 0.000 0.776 162 P CB 1.384 32.548 31.700 -0.894 0.000 0.876 163 G N 2.047 110.737 108.800 -0.184 0.000 2.612 163 G HA2 0.482 4.444 3.960 0.005 0.000 0.298 163 G HA3 0.482 4.444 3.960 0.005 0.000 0.298 163 G C -2.041 172.819 174.900 -0.067 0.000 1.336 163 G CA -1.366 43.674 45.100 -0.101 0.000 0.953 163 G HN 0.185 nan 8.290 nan 0.000 0.482 164 P HA -0.105 nan 4.420 nan 0.000 0.217 164 P C 1.054 178.347 177.300 -0.012 0.000 1.150 164 P CA 1.255 64.344 63.100 -0.019 0.000 0.832 164 P CB 0.575 32.270 31.700 -0.009 0.000 0.787 165 K N -0.642 119.750 120.400 -0.013 0.000 2.161 165 K HA 0.064 4.387 4.320 0.005 0.000 0.205 165 K C 1.491 178.083 176.600 -0.013 0.000 1.035 165 K CA 0.662 56.943 56.287 -0.009 0.000 0.970 165 K CB 0.157 32.654 32.500 -0.005 0.000 0.866 165 K HN 0.339 nan 8.250 nan 0.000 0.461 166 Q N 0.579 120.369 119.800 -0.017 0.000 2.501 166 Q HA 0.312 4.655 4.340 0.005 0.000 0.288 166 Q C -1.635 174.349 176.000 -0.026 0.000 1.051 166 Q CA -0.996 54.796 55.803 -0.018 0.000 0.788 166 Q CB 1.758 30.491 28.738 -0.008 0.000 1.469 166 Q HN -0.199 nan 8.270 nan 0.000 0.416 167 D N 1.328 121.714 120.400 -0.023 0.000 2.423 167 D HA 0.505 5.148 4.640 0.005 0.000 0.255 167 D C -0.274 176.018 176.300 -0.014 0.000 1.174 167 D CA 0.185 54.166 54.000 -0.032 0.000 1.008 167 D CB 1.489 42.278 40.800 -0.018 0.000 1.101 167 D HN 0.709 nan 8.370 nan 0.000 0.516 168 T N -3.374 111.168 114.554 -0.020 0.000 2.864 168 T HA 0.731 5.084 4.350 0.005 0.000 0.289 168 T C -0.778 173.922 174.700 0.001 0.000 1.082 168 T CA -0.803 61.293 62.100 -0.007 0.000 1.009 168 T CB 1.083 69.943 68.868 -0.012 0.000 1.234 168 T HN 0.062 nan 8.240 nan 0.000 0.526 169 V N 1.158 121.070 119.914 -0.003 0.000 2.638 169 V HA 0.662 4.785 4.120 0.005 0.000 0.306 169 V C -0.471 175.594 176.094 -0.048 0.000 1.052 169 V CA -0.753 61.547 62.300 -0.000 0.000 0.885 169 V CB 2.211 34.037 31.823 0.006 0.000 0.999 169 V HN 1.119 nan 8.190 nan 0.000 0.424 170 S N 3.787 119.445 115.700 -0.071 0.000 2.472 170 S HA 0.545 5.018 4.470 0.005 0.000 0.303 170 S C -0.537 173.858 174.600 -0.341 0.000 1.099 170 S CA -0.666 57.362 58.200 -0.286 0.000 1.077 170 S CB 1.357 64.319 63.200 -0.396 0.000 1.031 170 S HN 0.744 nan 8.310 nan 0.000 0.487 171 N N 1.601 120.032 118.700 -0.447 0.000 2.491 171 N HA 0.340 5.083 4.740 0.005 0.000 0.274 171 N C -1.133 174.170 175.510 -0.344 0.000 1.023 171 N CA -0.533 52.374 53.050 -0.238 0.000 0.902 171 N CB 0.586 39.027 38.487 -0.077 0.000 1.267 171 N HN 0.472 nan 8.380 nan 0.000 0.503 172 F N 0.909 120.897 119.950 0.063 0.000 2.727 172 F HA 0.102 4.632 4.527 0.005 0.000 0.302 172 F C 2.322 178.154 175.800 0.054 0.000 1.097 172 F CA -0.191 57.843 58.000 0.056 0.000 1.330 172 F CB 0.137 39.172 39.000 0.059 0.000 1.084 172 F HN 0.482 nan 8.300 nan 0.000 0.578 173 S N 0.398 116.213 115.700 0.191 0.000 2.419 173 S HA -0.165 4.308 4.470 0.005 0.000 0.233 173 S C 1.370 176.034 174.600 0.106 0.000 1.016 173 S CA 1.027 59.315 58.200 0.147 0.000 0.974 173 S CB -0.325 62.959 63.200 0.140 0.000 0.786 173 S HN 0.429 nan 8.310 nan 0.000 0.492 174 K N 2.286 122.737 120.400 0.085 0.000 2.618 174 K HA 0.172 4.494 4.320 0.005 0.000 0.207 174 K C 0.279 176.910 176.600 0.052 0.000 1.058 174 K CA 0.101 56.423 56.287 0.057 0.000 1.086 174 K CB 0.810 33.332 32.500 0.037 0.000 0.827 174 K HN 0.621 nan 8.250 nan 0.000 0.481 175 T N -1.900 112.702 114.554 0.080 0.000 2.729 175 T HA 0.163 4.516 4.350 0.005 0.000 0.298 175 T C 1.326 176.062 174.700 0.060 0.000 1.013 175 T CA -0.474 61.674 62.100 0.081 0.000 0.957 175 T CB 1.085 70.037 68.868 0.140 0.000 1.130 175 T HN -0.030 nan 8.240 nan 0.000 0.526 176 K N 0.572 121.005 120.400 0.054 0.000 1.991 176 K HA -0.068 4.255 4.320 0.005 0.000 0.212 176 K C 0.636 177.256 176.600 0.034 0.000 1.049 176 K CA 1.397 57.706 56.287 0.037 0.000 0.932 176 K CB -0.140 32.380 32.500 0.034 0.000 0.717 176 K HN 0.484 nan 8.250 nan 0.000 0.441 177 K N 1.706 122.132 120.400 0.042 0.000 2.562 177 K HA 0.241 4.564 4.320 0.005 0.000 0.206 177 K C -2.580 174.049 176.600 0.049 0.000 1.033 177 K CA -1.513 54.794 56.287 0.033 0.000 1.029 177 K CB 1.522 34.037 32.500 0.025 0.000 1.393 177 K HN 0.083 nan 8.250 nan 0.000 0.539 178 P HA 0.013 nan 4.420 nan 0.000 0.266 178 P C -2.379 174.959 177.300 0.064 0.000 1.193 178 P CA -0.784 62.361 63.100 0.076 0.000 0.770 178 P CB -0.296 31.440 31.700 0.059 0.000 0.836 179 P HA 0.000 nan 4.420 nan 0.000 0.267 179 P C 0.483 177.849 177.300 0.109 0.000 1.200 179 P CA 0.315 63.474 63.100 0.097 0.000 0.772 179 P CB 0.097 31.796 31.700 -0.002 0.000 0.855 180 T N -2.549 112.127 114.554 0.203 0.000 3.200 180 T HA 0.124 4.477 4.350 0.005 0.000 0.284 180 T C 0.574 175.463 174.700 0.316 0.000 1.009 180 T CA -0.321 61.953 62.100 0.290 0.000 0.907 180 T CB -0.604 68.407 68.868 0.239 0.000 1.120 180 T HN 0.648 nan 8.240 nan 0.000 0.534 181 H N 0.517 119.641 119.070 0.091 0.000 2.690 181 H HA 0.697 5.256 4.556 0.005 0.000 0.368 181 H C -0.498 174.811 175.328 -0.033 0.000 1.150 181 H CA -1.492 54.564 56.048 0.013 0.000 1.174 181 H CB 1.855 31.605 29.762 -0.019 0.000 1.684 181 H HN 0.393 nan 8.280 nan 0.000 0.538 182 I N 0.465 120.945 120.570 -0.149 0.000 3.210 182 I HA 0.628 4.801 4.170 0.005 0.000 0.316 182 I C -0.563 175.495 176.117 -0.099 0.000 1.067 182 I CA -0.772 60.348 61.300 -0.299 0.000 1.047 182 I CB 2.182 39.833 38.000 -0.582 0.000 1.352 182 I HN 0.684 nan 8.210 nan 0.000 0.565 183 T N 0.796 115.267 114.554 -0.139 0.000 2.863 183 T HA 0.723 5.075 4.350 0.005 0.000 0.285 183 T C -0.578 174.145 174.700 0.037 0.000 1.009 183 T CA -0.668 61.464 62.100 0.053 0.000 0.989 183 T CB 1.693 70.645 68.868 0.140 0.000 1.004 183 T HN 0.495 nan 8.240 nan 0.000 0.455 184 V N 2.354 122.347 119.914 0.131 0.000 2.656 184 V HA 0.750 4.873 4.120 0.005 0.000 0.307 184 V C -0.589 175.599 176.094 0.158 0.000 1.051 184 V CA -0.891 61.465 62.300 0.092 0.000 0.893 184 V CB 1.880 33.716 31.823 0.022 0.000 0.999 184 V HN 0.883 nan 8.190 nan 0.000 0.426 185 V N 4.316 124.252 119.914 0.037 0.000 2.588 185 V HA 0.754 4.877 4.120 0.005 0.000 0.304 185 V C -1.410 174.684 176.094 0.000 0.000 1.042 185 V CA -0.213 62.005 62.300 -0.138 0.000 0.877 185 V CB 1.843 33.299 31.823 -0.612 0.000 0.996 185 V HN 1.063 nan 8.190 nan 0.000 0.425 186 H N 5.822 124.823 119.070 -0.114 0.000 2.877 186 H HA 0.474 5.033 4.556 0.004 0.000 0.347 186 H C 0.202 175.398 175.328 -0.219 0.000 1.042 186 H CA -0.362 55.574 56.048 -0.187 0.000 1.276 186 H CB 1.024 30.628 29.762 -0.264 0.000 1.681 186 H HN 0.750 nan 8.280 nan 0.000 0.521 187 N N 4.870 123.187 118.700 -0.639 0.000 2.727 187 N HA -0.245 4.498 4.740 0.005 0.000 0.249 187 N C -0.597 174.607 175.510 -0.511 0.000 1.048 187 N CA 1.399 53.993 53.050 -0.761 0.000 0.714 187 N CB -1.065 36.942 38.487 -0.800 0.000 0.959 187 N HN 0.742 nan 8.380 nan 0.000 0.544 188 Y N -4.108 116.080 120.300 -0.186 0.000 4.929 188 Y HA -0.317 4.236 4.550 0.005 0.000 0.253 188 Y C 0.682 176.491 175.900 -0.152 0.000 0.946 188 Y CA 1.024 59.032 58.100 -0.154 0.000 1.905 188 Y CB -2.313 36.116 38.460 -0.052 0.000 1.400 188 Y HN 0.433 nan 8.280 nan 0.000 0.531 189 Q N 0.176 119.972 119.800 -0.007 0.000 2.278 189 Q HA 0.578 4.921 4.340 0.005 0.000 0.257 189 Q C -0.563 175.417 176.000 -0.034 0.000 0.928 189 Q CA -0.516 55.308 55.803 0.035 0.000 0.932 189 Q CB 0.796 29.586 28.738 0.087 0.000 1.221 189 Q HN 0.142 nan 8.270 nan 0.000 0.434 190 F N 2.039 121.997 119.950 0.013 0.000 2.385 190 F HA 0.493 5.022 4.527 0.004 0.000 0.336 190 F C -0.282 175.354 175.800 -0.274 0.000 1.100 190 F CA -0.355 57.654 58.000 0.016 0.000 1.116 190 F CB 0.709 39.719 39.000 0.016 0.000 1.166 190 F HN 0.392 nan 8.300 nan 0.000 0.511 191 F N 0.479 120.524 119.950 0.158 0.000 2.565 191 F HA 0.299 4.828 4.527 0.004 0.000 0.313 191 F C -0.216 175.610 175.800 0.043 0.000 1.091 191 F CA -1.188 56.848 58.000 0.059 0.000 0.915 191 F CB 1.840 40.852 39.000 0.019 0.000 1.208 191 F HN 0.372 nan 8.300 nan 0.000 0.453 192 E N 3.130 123.421 120.200 0.151 0.000 2.130 192 E HA 0.460 4.813 4.350 0.005 0.000 0.284 192 E C -1.712 174.942 176.600 0.091 0.000 1.018 192 E CA -0.715 55.734 56.400 0.083 0.000 0.817 192 E CB 1.091 30.735 29.700 -0.094 0.000 1.078 192 E HN 0.567 nan 8.360 nan 0.000 0.396 193 L N 5.495 126.778 121.223 0.099 0.000 2.318 193 L HA 0.374 4.716 4.340 0.005 0.000 0.277 193 L C -1.176 175.722 176.870 0.046 0.000 1.008 193 L CA -0.583 54.282 54.840 0.042 0.000 0.846 193 L CB 1.334 43.385 42.059 -0.013 0.000 1.220 193 L HN 0.453 nan 8.230 nan 0.000 0.423 194 D N 3.292 123.713 120.400 0.036 0.000 2.425 194 D HA 0.154 4.796 4.640 0.005 0.000 0.247 194 D C 0.938 177.209 176.300 -0.049 0.000 1.147 194 D CA 0.374 54.402 54.000 0.046 0.000 0.879 194 D CB 1.694 42.516 40.800 0.035 0.000 1.179 194 D HN 0.456 nan 8.370 nan 0.000 0.456 195 V N 0.476 120.333 119.914 -0.096 0.000 3.319 195 V HA 0.338 4.461 4.120 0.005 0.000 0.317 195 V C -0.571 175.175 176.094 -0.580 0.000 1.411 195 V CA -0.196 61.914 62.300 -0.316 0.000 1.112 195 V CB -0.936 30.678 31.823 -0.348 0.000 1.031 195 V HN 0.271 nan 8.190 nan 0.000 0.448 196 Y N -0.330 119.893 120.300 -0.128 0.000 2.477 196 Y HA 0.696 5.249 4.550 0.004 0.000 0.347 196 Y C 0.648 176.446 175.900 -0.170 0.000 0.981 196 Y CA -1.070 56.947 58.100 -0.138 0.000 1.033 196 Y CB 1.352 39.796 38.460 -0.027 0.000 1.245 196 Y HN 0.110 nan 8.280 nan 0.000 0.455 197 H N 0.003 119.183 119.070 0.183 0.000 2.581 197 H HA 0.078 4.637 4.556 0.005 0.000 0.369 197 H C 1.150 176.541 175.328 0.105 0.000 1.351 197 H CA 0.706 56.819 56.048 0.109 0.000 1.434 197 H CB 1.194 31.004 29.762 0.080 0.000 1.558 197 H HN 0.783 nan 8.280 nan 0.000 0.608 198 S N 0.060 115.887 115.700 0.212 0.000 2.419 198 S HA -0.202 4.271 4.470 0.005 0.000 0.235 198 S C 1.056 175.718 174.600 0.103 0.000 1.019 198 S CA 1.494 59.767 58.200 0.122 0.000 0.982 198 S CB -0.289 62.963 63.200 0.087 0.000 0.789 198 S HN 0.733 nan 8.310 nan 0.000 0.490 199 D N 0.331 120.805 120.400 0.124 0.000 2.328 199 D HA 0.277 4.920 4.640 0.005 0.000 0.226 199 D C 1.397 177.752 176.300 0.091 0.000 1.066 199 D CA 0.544 54.597 54.000 0.088 0.000 0.861 199 D CB -0.643 40.200 40.800 0.072 0.000 0.912 199 D HN 0.591 nan 8.370 nan 0.000 0.521 200 G N 0.063 108.933 108.800 0.117 0.000 2.199 200 G HA2 -0.289 3.673 3.960 0.005 0.000 0.254 200 G HA3 -0.289 3.673 3.960 0.005 0.000 0.254 200 G C 0.557 175.563 174.900 0.178 0.000 0.982 200 G CA 0.586 45.730 45.100 0.074 0.000 0.632 200 G HN 0.802 nan 8.290 nan 0.000 0.529 201 T N -0.715 113.986 114.554 0.244 0.000 2.849 201 T HA 0.613 4.966 4.350 0.005 0.000 0.284 201 T C -2.264 172.647 174.700 0.353 0.000 1.004 201 T CA -1.472 60.797 62.100 0.281 0.000 1.021 201 T CB 2.294 71.302 68.868 0.233 0.000 1.013 201 T HN 0.024 nan 8.240 nan 0.000 0.527 202 P HA 0.277 nan 4.420 nan 0.000 0.272 202 P C -0.537 176.694 177.300 -0.115 0.000 1.230 202 P CA -0.523 62.565 63.100 -0.021 0.000 0.788 202 P CB 0.316 32.015 31.700 -0.002 0.000 0.949 203 L N 1.795 122.829 121.223 -0.315 0.000 2.397 203 L HA 0.256 4.598 4.340 0.005 0.000 0.271 203 L C 1.208 178.053 176.870 -0.041 0.000 1.148 203 L CA 0.665 55.382 54.840 -0.206 0.000 0.825 203 L CB -0.122 41.785 42.059 -0.254 0.000 1.117 203 L HN 0.420 nan 8.230 nan 0.000 0.456 204 T N -0.603 113.986 114.554 0.057 0.000 2.824 204 T HA 0.497 4.850 4.350 0.005 0.000 0.277 204 T C 1.352 176.077 174.700 0.043 0.000 0.975 204 T CA -0.236 61.897 62.100 0.055 0.000 0.966 204 T CB 0.857 69.771 68.868 0.076 0.000 1.054 204 T HN 0.595 nan 8.240 nan 0.000 0.533 205 A N 1.455 124.307 122.820 0.052 0.000 1.927 205 A HA -0.240 4.082 4.320 0.005 0.000 0.220 205 A C 2.079 179.702 177.584 0.065 0.000 1.185 205 A CA 2.320 54.388 52.037 0.052 0.000 0.639 205 A CB -1.274 17.756 19.000 0.051 0.000 0.820 205 A HN 1.016 nan 8.150 nan 0.000 0.451 206 D N -0.480 119.949 120.400 0.047 0.000 2.117 206 D HA -0.230 4.412 4.640 0.005 0.000 0.197 206 D C 1.846 178.215 176.300 0.115 0.000 0.987 206 D CA 1.732 55.764 54.000 0.052 0.000 0.829 206 D CB -0.897 39.912 40.800 0.015 0.000 0.961 206 D HN 0.683 nan 8.370 nan 0.000 0.460 207 Q N 0.048 119.901 119.800 0.088 0.000 2.079 207 Q HA 0.026 4.368 4.340 0.005 0.000 0.200 207 Q C 2.705 178.738 176.000 0.055 0.000 0.974 207 Q CA 0.761 56.613 55.803 0.082 0.000 0.840 207 Q CB 0.009 28.802 28.738 0.091 0.000 0.898 207 Q HN 0.371 nan 8.270 nan 0.000 0.430 208 I N 0.198 120.790 120.570 0.038 0.000 2.226 208 I HA -0.262 3.911 4.170 0.005 0.000 0.245 208 I C 2.183 178.311 176.117 0.017 0.000 1.100 208 I CA 1.048 62.346 61.300 -0.002 0.000 1.374 208 I CB -0.256 37.732 38.000 -0.019 0.000 1.057 208 I HN 0.162 nan 8.210 nan 0.000 0.413 209 F N 1.387 121.298 119.950 -0.065 0.000 2.095 209 F HA -0.228 4.301 4.527 0.004 0.000 0.298 209 F C 2.371 178.125 175.800 -0.077 0.000 1.104 209 F CA 1.676 59.629 58.000 -0.078 0.000 1.232 209 F CB -0.358 38.599 39.000 -0.071 0.000 0.987 209 F HN -0.242 nan 8.300 nan 0.000 0.475 210 V N 0.666 120.630 119.914 0.083 0.000 2.332 210 V HA -0.320 3.803 4.120 0.005 0.000 0.248 210 V C 2.444 178.460 176.094 -0.131 0.000 1.055 210 V CA 2.104 64.393 62.300 -0.019 0.000 1.038 210 V CB -0.735 31.131 31.823 0.070 0.000 0.651 210 V HN 0.411 nan 8.190 nan 0.000 0.450 211 Q N -0.612 119.127 119.800 -0.101 0.000 2.119 211 Q HA -0.057 4.286 4.340 0.005 0.000 0.201 211 Q C 2.268 178.158 176.000 -0.184 0.000 0.972 211 Q CA 1.310 57.045 55.803 -0.114 0.000 0.847 211 Q CB -0.327 28.363 28.738 -0.080 0.000 0.903 211 Q HN 0.550 nan 8.270 nan 0.000 0.433 212 L N 0.618 121.699 121.223 -0.236 0.000 2.141 212 L HA -0.169 4.174 4.340 0.005 0.000 0.209 212 L C 2.236 178.922 176.870 -0.307 0.000 1.094 212 L CA 0.994 55.672 54.840 -0.270 0.000 0.763 212 L CB -0.293 41.597 42.059 -0.282 0.000 0.908 212 L HN 0.252 nan 8.230 nan 0.000 0.437 213 E N 0.266 120.218 120.200 -0.413 0.000 2.077 213 E HA -0.227 4.126 4.350 0.005 0.000 0.193 213 E C 2.160 178.656 176.600 -0.173 0.000 0.989 213 E CA 1.115 57.302 56.400 -0.356 0.000 0.800 213 E CB 0.028 29.480 29.700 -0.414 0.000 0.746 213 E HN 0.452 nan 8.360 nan 0.000 0.452 214 K N 0.545 120.843 120.400 -0.170 0.000 2.057 214 K HA -0.124 4.199 4.320 0.005 0.000 0.207 214 K C 2.175 178.655 176.600 -0.199 0.000 1.049 214 K CA 1.067 57.278 56.287 -0.126 0.000 0.931 214 K CB -0.136 32.304 32.500 -0.100 0.000 0.714 214 K HN 0.113 nan 8.250 nan 0.000 0.440 215 I N 0.233 120.607 120.570 -0.326 0.000 2.179 215 I HA -0.288 3.885 4.170 0.005 0.000 0.242 215 I C 2.396 178.203 176.117 -0.516 0.000 1.088 215 I CA 1.026 61.909 61.300 -0.695 0.000 1.357 215 I CB -0.308 37.291 38.000 -0.669 0.000 1.051 215 I HN 0.430 nan 8.210 nan 0.000 0.409 216 W N 2.482 123.506 121.300 -0.459 0.000 2.332 216 W HA -0.250 4.412 4.660 0.004 0.000 0.321 216 W C 2.148 178.574 176.519 -0.154 0.000 1.219 216 W CA 1.715 58.831 57.345 -0.382 0.000 1.277 216 W CB -0.583 28.634 29.460 -0.406 0.000 1.161 216 W HN 0.193 nan 8.180 nan 0.000 0.476 217 N N 0.251 119.052 118.700 0.168 0.000 2.453 217 N HA -0.100 4.642 4.740 0.005 0.000 0.183 217 N C 1.499 177.032 175.510 0.039 0.000 1.041 217 N CA 1.338 54.464 53.050 0.126 0.000 0.900 217 N CB -0.444 38.102 38.487 0.099 0.000 0.961 217 N HN -0.009 nan 8.380 nan 0.000 0.443 218 S N -0.652 115.040 115.700 -0.013 0.000 2.575 218 S HA 0.064 4.536 4.470 0.005 0.000 0.215 218 S C 0.770 175.483 174.600 0.188 0.000 0.966 218 S CA -0.157 58.091 58.200 0.081 0.000 0.911 218 S CB 0.192 63.467 63.200 0.125 0.000 0.780 218 S HN 0.377 nan 8.310 nan 0.000 0.514 219 S N 0.296 116.043 115.700 0.077 0.000 2.825 219 S HA 0.377 4.850 4.470 0.005 0.000 0.242 219 S C 0.592 175.116 174.600 -0.126 0.000 0.980 219 S CA -0.463 57.791 58.200 0.089 0.000 1.107 219 S CB -0.574 62.768 63.200 0.236 0.000 1.172 219 S HN 0.259 nan 8.310 nan 0.000 0.483 220 L N 0.207 121.366 121.223 -0.107 0.000 2.313 220 L HA 0.103 4.445 4.340 0.005 0.000 0.214 220 L C 0.701 177.470 176.870 -0.167 0.000 1.119 220 L CA 0.449 55.193 54.840 -0.160 0.000 0.809 220 L CB -0.415 41.615 42.059 -0.048 0.000 0.933 220 L HN 0.391 nan 8.230 nan 0.000 0.449 221 Q N 0.256 119.987 119.800 -0.115 0.000 2.315 221 Q HA -0.022 4.320 4.340 0.005 0.000 0.289 221 Q C 1.042 176.940 176.000 -0.170 0.000 1.044 221 Q CA 0.832 56.576 55.803 -0.099 0.000 0.920 221 Q CB 0.322 29.033 28.738 -0.045 0.000 1.214 221 Q HN 0.167 nan 8.270 nan 0.000 0.392 222 T N -2.746 111.721 114.554 -0.145 0.000 3.132 222 T HA 0.092 4.444 4.350 0.005 0.000 0.274 222 T C 0.295 174.933 174.700 -0.103 0.000 1.011 222 T CA -0.283 61.700 62.100 -0.196 0.000 0.899 222 T CB -0.000 68.761 68.868 -0.179 0.000 1.089 222 T HN 0.628 nan 8.240 nan 0.000 0.543 223 N N 0.695 119.371 118.700 -0.038 0.000 2.338 223 N HA 0.160 4.902 4.740 0.005 0.000 0.251 223 N C -0.374 175.174 175.510 0.062 0.000 1.199 223 N CA -0.540 52.523 53.050 0.022 0.000 0.879 223 N CB 0.326 38.821 38.487 0.014 0.000 1.159 223 N HN 0.093 nan 8.380 nan 0.000 0.514 224 K N 0.850 121.304 120.400 0.091 0.000 2.098 224 K HA 0.215 4.538 4.320 0.005 0.000 0.257 224 K C 0.340 177.058 176.600 0.197 0.000 0.999 224 K CA -0.407 55.959 56.287 0.132 0.000 0.924 224 K CB 1.196 33.773 32.500 0.129 0.000 1.028 224 K HN 0.149 nan 8.250 nan 0.000 0.466 225 E N 3.159 123.439 120.200 0.133 0.000 2.324 225 E HA 0.056 4.408 4.350 0.005 0.000 0.271 225 E C -1.938 174.684 176.600 0.036 0.000 1.028 225 E CA -1.654 54.790 56.400 0.073 0.000 0.890 225 E CB 0.358 30.085 29.700 0.045 0.000 1.004 225 E HN 0.207 nan 8.360 nan 0.000 0.431 226 P HA 0.037 nan 4.420 nan 0.000 0.230 226 P C 0.924 178.115 177.300 -0.182 0.000 1.791 226 P CA 0.007 62.890 63.100 -0.361 0.000 1.020 226 P CB 0.044 31.271 31.700 -0.787 0.000 1.977 227 V N 2.141 122.007 119.914 -0.079 0.000 2.370 227 V HA -0.239 3.884 4.120 0.005 0.000 0.252 227 V C 2.804 178.834 176.094 -0.107 0.000 1.068 227 V CA 2.675 64.878 62.300 -0.163 0.000 1.061 227 V CB -1.588 29.946 31.823 -0.481 0.000 0.656 227 V HN 0.410 nan 8.190 nan 0.000 0.455 228 G N -0.795 108.082 108.800 0.128 0.000 2.462 228 G HA2 -0.258 3.705 3.960 0.005 0.000 0.220 228 G HA3 -0.258 3.705 3.960 0.005 0.000 0.220 228 G C 1.582 176.376 174.900 -0.177 0.000 1.121 228 G CA 0.780 45.975 45.100 0.158 0.000 0.758 228 G HN 0.537 nan 8.290 nan 0.000 0.559 229 I N 0.301 120.764 120.570 -0.180 0.000 2.916 229 I HA -0.032 4.140 4.170 0.005 0.000 0.267 229 I C 2.322 178.252 176.117 -0.311 0.000 1.263 229 I CA 0.303 61.493 61.300 -0.182 0.000 1.471 229 I CB 0.091 37.984 38.000 -0.177 0.000 1.089 229 I HN 0.150 nan 8.210 nan 0.000 0.468 230 L N 0.165 121.110 121.223 -0.464 0.000 2.191 230 L HA -0.196 4.146 4.340 0.005 0.000 0.212 230 L C 2.492 178.657 176.870 -1.175 0.000 1.103 230 L CA 1.784 56.240 54.840 -0.641 0.000 0.769 230 L CB -0.944 40.755 42.059 -0.600 0.000 0.908 230 L HN 0.417 nan 8.230 nan 0.000 0.438 231 T N -4.155 109.574 114.554 -1.374 0.000 3.113 231 T HA -0.082 4.271 4.350 0.005 0.000 0.263 231 T C 1.723 176.036 174.700 -0.645 0.000 1.143 231 T CA 0.875 62.102 62.100 -1.454 0.000 1.090 231 T CB -0.272 67.914 68.868 -1.137 0.000 0.922 231 T HN 0.415 nan 8.240 nan 0.000 0.521 232 S N -0.103 115.345 115.700 -0.419 0.000 2.575 232 S HA 0.185 4.657 4.470 0.005 0.000 0.215 232 S C 0.753 175.197 174.600 -0.259 0.000 0.966 232 S CA -0.680 57.316 58.200 -0.341 0.000 0.911 232 S CB -0.392 62.637 63.200 -0.285 0.000 0.780 232 S HN 0.389 nan 8.310 nan 0.000 0.514 233 N N 1.993 120.555 118.700 -0.229 0.000 2.379 233 N HA 0.095 4.837 4.740 0.005 0.000 0.260 233 N C -0.377 175.140 175.510 0.012 0.000 1.254 233 N CA -0.352 52.653 53.050 -0.074 0.000 0.958 233 N CB 0.155 38.628 38.487 -0.022 0.000 1.208 233 N HN 0.367 nan 8.380 nan 0.000 0.532 234 H N 1.793 120.846 119.070 -0.029 0.000 3.064 234 H HA -0.035 4.523 4.556 0.004 0.000 0.329 234 H C 0.853 176.192 175.328 0.020 0.000 1.020 234 H CA 0.451 56.479 56.048 -0.033 0.000 1.402 234 H CB 0.796 30.529 29.762 -0.048 0.000 1.379 234 H HN 0.423 nan 8.280 nan 0.000 0.594 235 R N 3.701 124.087 120.500 -0.190 0.000 2.159 235 R HA -0.128 4.215 4.340 0.005 0.000 0.237 235 R C 1.609 177.985 176.300 0.128 0.000 1.131 235 R CA 0.728 56.827 56.100 -0.003 0.000 0.982 235 R CB -0.361 29.861 30.300 -0.130 0.000 0.868 235 R HN 0.682 nan 8.270 nan 0.000 0.453 236 N N 0.165 119.056 118.700 0.318 0.000 2.300 236 N HA -0.026 4.717 4.740 0.005 0.000 0.179 236 N C 1.499 177.102 175.510 0.154 0.000 1.016 236 N CA 0.909 54.081 53.050 0.204 0.000 0.876 236 N CB 0.117 38.714 38.487 0.182 0.000 0.979 236 N HN 0.101 nan 8.380 nan 0.000 0.432 237 S N 0.359 116.182 115.700 0.206 0.000 2.371 237 S HA -0.088 4.384 4.470 0.005 0.000 0.224 237 S C 1.481 176.223 174.600 0.236 0.000 1.029 237 S CA 0.422 58.713 58.200 0.152 0.000 0.978 237 S CB -0.256 63.018 63.200 0.123 0.000 0.833 237 S HN 0.547 nan 8.310 nan 0.000 0.466 238 W N 2.240 123.551 121.300 0.019 0.000 2.388 238 W HA -0.147 4.515 4.660 0.004 0.000 0.294 238 W C 2.318 178.863 176.519 0.043 0.000 1.212 238 W CA 0.752 58.096 57.345 -0.001 0.000 1.271 238 W CB -0.206 29.218 29.460 -0.061 0.000 1.126 238 W HN 0.344 nan 8.180 nan 0.000 0.535 239 A N 0.952 123.739 122.820 -0.054 0.000 1.940 239 A HA -0.273 4.050 4.320 0.005 0.000 0.219 239 A C 1.975 179.522 177.584 -0.062 0.000 1.176 239 A CA 2.068 53.995 52.037 -0.184 0.000 0.631 239 A CB -0.936 18.009 19.000 -0.092 0.000 0.814 239 A HN 0.398 nan 8.150 nan 0.000 0.446 240 K N -0.443 119.968 120.400 0.018 0.000 2.025 240 K HA -0.030 4.293 4.320 0.005 0.000 0.207 240 K C 2.168 178.800 176.600 0.052 0.000 1.049 240 K CA 1.165 57.472 56.287 0.033 0.000 0.933 240 K CB -0.332 32.194 32.500 0.044 0.000 0.714 240 K HN 0.337 nan 8.250 nan 0.000 0.438 241 A N 0.285 123.182 122.820 0.127 0.000 1.969 241 A HA -0.178 4.144 4.320 0.005 0.000 0.218 241 A C 2.029 179.696 177.584 0.138 0.000 1.169 241 A CA 1.264 53.414 52.037 0.188 0.000 0.635 241 A CB -0.811 18.399 19.000 0.351 0.000 0.810 241 A HN 0.597 nan 8.150 nan 0.000 0.445 242 Y N 1.292 121.433 120.300 -0.266 0.000 2.145 242 Y HA -0.235 4.318 4.550 0.005 0.000 0.286 242 Y C 2.346 178.118 175.900 -0.213 0.000 1.145 242 Y CA 2.053 59.821 58.100 -0.554 0.000 1.148 242 Y CB -0.338 37.410 38.460 -1.187 0.000 0.981 242 Y HN 0.429 nan 8.280 nan 0.000 0.507 243 N N -0.552 118.076 118.700 -0.120 0.000 2.149 243 N HA -0.179 4.563 4.740 0.005 0.000 0.188 243 N C 1.572 177.010 175.510 -0.121 0.000 1.019 243 N CA 2.065 55.035 53.050 -0.133 0.000 0.857 243 N CB -0.222 38.247 38.487 -0.031 0.000 0.997 243 N HN 0.444 nan 8.380 nan 0.000 0.426 244 T N 1.584 116.103 114.554 -0.058 0.000 2.777 244 T HA -0.095 4.257 4.350 0.005 0.000 0.266 244 T C 1.929 176.613 174.700 -0.027 0.000 1.040 244 T CA 0.653 62.738 62.100 -0.025 0.000 1.141 244 T CB -0.265 68.612 68.868 0.014 0.000 0.868 244 T HN 0.143 nan 8.240 nan 0.000 0.444 245 L N 2.135 123.344 121.223 -0.023 0.000 2.042 245 L HA 0.028 4.371 4.340 0.005 0.000 0.210 245 L C 1.910 178.767 176.870 -0.021 0.000 1.076 245 L CA 1.607 56.458 54.840 0.018 0.000 0.749 245 L CB -0.564 41.556 42.059 0.102 0.000 0.893 245 L HN 0.473 nan 8.230 nan 0.000 0.432 246 I N -4.509 115.962 120.570 -0.164 0.000 3.749 246 I HA 0.023 4.195 4.170 0.005 0.000 0.314 246 I C 1.687 177.744 176.117 -0.100 0.000 1.267 246 I CA 0.233 61.438 61.300 -0.159 0.000 1.169 246 I CB -0.540 37.262 38.000 -0.331 0.000 1.009 246 I HN 0.116 nan 8.210 nan 0.000 0.444 247 K N 1.268 121.628 120.400 -0.066 0.000 2.155 247 K HA -0.061 4.261 4.320 0.005 0.000 0.203 247 K C 0.430 177.016 176.600 -0.024 0.000 1.052 247 K CA 0.803 57.065 56.287 -0.042 0.000 0.948 247 K CB -0.134 32.349 32.500 -0.028 0.000 0.728 247 K HN 0.434 nan 8.250 nan 0.000 0.448 248 D N 0.865 121.260 120.400 -0.008 0.000 2.308 248 D HA -0.026 4.617 4.640 0.005 0.000 0.251 248 D C 1.019 177.312 176.300 -0.012 0.000 1.127 248 D CA -0.056 53.944 54.000 0.000 0.000 0.876 248 D CB 1.054 41.868 40.800 0.024 0.000 1.176 248 D HN -0.229 nan 8.370 nan 0.000 0.446 249 K N 2.945 123.333 120.400 -0.021 0.000 2.032 249 K HA -0.128 4.195 4.320 0.005 0.000 0.209 249 K C 1.587 178.157 176.600 -0.050 0.000 1.048 249 K CA 1.309 57.576 56.287 -0.034 0.000 0.927 249 K CB -0.442 32.039 32.500 -0.032 0.000 0.712 249 K HN 0.463 nan 8.250 nan 0.000 0.441 250 V N 2.303 122.185 119.914 -0.053 0.000 2.332 250 V HA -0.266 3.857 4.120 0.005 0.000 0.248 250 V C 2.117 178.139 176.094 -0.121 0.000 1.055 250 V CA 2.026 64.271 62.300 -0.092 0.000 1.038 250 V CB -0.675 31.097 31.823 -0.085 0.000 0.651 250 V HN 0.348 nan 8.190 nan 0.000 0.450 251 N N 0.148 118.827 118.700 -0.035 0.000 2.120 251 N HA -0.178 4.565 4.740 0.005 0.000 0.188 251 N C 1.952 177.477 175.510 0.026 0.000 1.024 251 N CA 1.516 54.605 53.050 0.065 0.000 0.852 251 N CB -0.470 38.148 38.487 0.218 0.000 1.003 251 N HN 0.451 nan 8.380 nan 0.000 0.424 252 R N 0.792 121.282 120.500 -0.018 0.000 2.081 252 R HA -0.091 4.251 4.340 0.005 0.000 0.235 252 R C 0.985 177.244 176.300 -0.068 0.000 1.131 252 R CA 1.439 57.515 56.100 -0.040 0.000 0.960 252 R CB 0.013 30.284 30.300 -0.049 0.000 0.856 252 R HN 0.126 nan 8.270 nan 0.000 0.436 253 D N -0.338 120.001 120.400 -0.102 0.000 2.117 253 D HA -0.101 4.541 4.640 0.005 0.000 0.197 253 D C 1.930 178.113 176.300 -0.196 0.000 0.987 253 D CA 1.416 55.335 54.000 -0.135 0.000 0.829 253 D CB -0.188 40.528 40.800 -0.140 0.000 0.961 253 D HN 0.150 nan 8.370 nan 0.000 0.460 254 S N -0.032 115.504 115.700 -0.274 0.000 2.368 254 S HA -0.089 4.383 4.470 0.005 0.000 0.224 254 S C 2.333 176.736 174.600 -0.330 0.000 1.029 254 S CA 0.474 58.424 58.200 -0.416 0.000 0.988 254 S CB -0.194 62.490 63.200 -0.859 0.000 0.838 254 S HN 0.073 nan 8.310 nan 0.000 0.462 255 V N 2.247 122.065 119.914 -0.160 0.000 2.343 255 V HA -0.191 3.932 4.120 0.005 0.000 0.247 255 V C 2.446 178.458 176.094 -0.137 0.000 1.051 255 V CA 1.658 63.888 62.300 -0.118 0.000 1.036 255 V CB -0.628 31.283 31.823 0.146 0.000 0.654 255 V HN 0.395 nan 8.190 nan 0.000 0.451 256 R N -0.215 120.229 120.500 -0.093 0.000 2.081 256 R HA -0.155 4.188 4.340 0.005 0.000 0.235 256 R C 2.653 178.858 176.300 -0.157 0.000 1.131 256 R CA 1.631 57.677 56.100 -0.091 0.000 0.960 256 R CB -0.649 29.603 30.300 -0.080 0.000 0.856 256 R HN 0.496 nan 8.270 nan 0.000 0.436 257 S N 0.914 116.507 115.700 -0.180 0.000 2.368 257 S HA -0.109 4.364 4.470 0.005 0.000 0.225 257 S C 1.976 176.550 174.600 -0.043 0.000 1.030 257 S CA 1.048 59.169 58.200 -0.132 0.000 0.999 257 S CB -0.126 62.941 63.200 -0.222 0.000 0.844 257 S HN 0.209 nan 8.310 nan 0.000 0.459 258 I N 1.178 121.596 120.570 -0.254 0.000 2.179 258 I HA -0.218 3.955 4.170 0.005 0.000 0.242 258 I C 2.814 178.780 176.117 -0.251 0.000 1.088 258 I CA 1.428 62.503 61.300 -0.375 0.000 1.357 258 I CB -0.489 36.940 38.000 -0.952 0.000 1.051 258 I HN 0.404 nan 8.210 nan 0.000 0.409 259 Q N 0.753 120.437 119.800 -0.192 0.000 2.124 259 Q HA -0.218 4.124 4.340 0.005 0.000 0.202 259 Q C 2.053 178.026 176.000 -0.044 0.000 0.977 259 Q CA 1.424 57.235 55.803 0.015 0.000 0.850 259 Q CB -0.094 28.731 28.738 0.145 0.000 0.901 259 Q HN 0.485 nan 8.270 nan 0.000 0.429 260 K N 0.813 121.027 120.400 -0.310 0.000 2.365 260 K HA 0.024 4.347 4.320 0.005 0.000 0.197 260 K C 0.761 177.192 176.600 -0.282 0.000 1.042 260 K CA 0.247 56.200 56.287 -0.557 0.000 0.987 260 K CB 0.219 32.348 32.500 -0.618 0.000 0.779 260 K HN 0.131 nan 8.250 nan 0.000 0.484 261 S N 0.769 116.303 115.700 -0.276 0.000 2.558 261 S HA 0.012 4.485 4.470 0.005 0.000 0.288 261 S C 1.309 175.799 174.600 -0.184 0.000 1.318 261 S CA -0.358 57.536 58.200 -0.511 0.000 1.056 261 S CB 0.389 63.404 63.200 -0.309 0.000 0.853 261 S HN 0.100 nan 8.310 nan 0.000 0.505 262 I N 1.132 121.607 120.570 -0.157 0.000 2.194 262 I HA -0.070 4.103 4.170 0.005 0.000 0.246 262 I C 0.801 177.125 176.117 0.345 0.000 1.093 262 I CA 1.597 62.980 61.300 0.138 0.000 1.355 262 I CB -0.457 37.689 38.000 0.243 0.000 1.046 262 I HN 0.831 nan 8.210 nan 0.000 0.413 263 F N -2.715 117.251 119.950 0.027 0.000 2.926 263 F HA 0.527 5.057 4.527 0.005 0.000 0.321 263 F C -1.093 174.771 175.800 0.107 0.000 1.168 263 F CA -1.269 56.788 58.000 0.095 0.000 0.890 263 F CB 0.819 39.910 39.000 0.151 0.000 1.357 263 F HN -0.506 nan 8.300 nan 0.000 0.468 264 T N 1.595 116.255 114.554 0.175 0.000 2.863 264 T HA 0.686 5.039 4.350 0.005 0.000 0.285 264 T C -1.337 173.472 174.700 0.182 0.000 1.009 264 T CA -0.645 61.498 62.100 0.072 0.000 0.989 264 T CB 1.915 70.906 68.868 0.204 0.000 1.004 264 T HN 0.612 nan 8.240 nan 0.000 0.455 265 V N 2.380 122.334 119.914 0.067 0.000 2.409 265 V HA 0.342 4.464 4.120 0.005 0.000 0.291 265 V C -0.263 175.913 176.094 0.137 0.000 1.020 265 V CA -0.808 61.593 62.300 0.167 0.000 0.848 265 V CB 1.255 33.123 31.823 0.075 0.000 0.990 265 V HN 1.066 nan 8.190 nan 0.000 0.430 266 C N 6.458 125.864 119.300 0.176 0.000 2.239 266 C HA 0.510 4.973 4.460 0.005 0.000 0.325 266 C C 0.430 175.516 174.990 0.161 0.000 1.231 266 C CA -0.902 58.196 59.018 0.133 0.000 1.652 266 C CB -0.268 27.544 27.740 0.122 0.000 2.284 266 C HN 0.714 nan 8.230 nan 0.000 0.499 267 L N 3.702 125.013 121.223 0.148 0.000 2.358 267 L HA 0.234 4.576 4.340 0.005 0.000 0.274 267 L C -0.137 176.873 176.870 0.233 0.000 1.136 267 L CA 0.103 55.065 54.840 0.203 0.000 0.970 267 L CB -0.415 41.725 42.059 0.135 0.000 1.314 267 L HN 0.625 nan 8.230 nan 0.000 0.427 268 D N 2.101 122.622 120.400 0.202 0.000 2.372 268 D HA 0.342 4.985 4.640 0.005 0.000 0.243 268 D C 0.315 176.714 176.300 0.164 0.000 1.121 268 D CA 0.201 54.297 54.000 0.160 0.000 0.898 268 D CB 1.401 42.302 40.800 0.169 0.000 1.202 268 D HN 0.497 nan 8.370 nan 0.000 0.428 269 A N 1.687 124.563 122.820 0.094 0.000 2.340 269 A HA 0.417 4.740 4.320 0.005 0.000 0.268 269 A C 0.328 177.976 177.584 0.106 0.000 1.100 269 A CA -0.474 51.613 52.037 0.083 0.000 0.803 269 A CB 0.369 19.373 19.000 0.007 0.000 1.043 269 A HN 0.483 nan 8.150 nan 0.000 0.488 270 T N 4.314 118.938 114.554 0.116 0.000 2.916 270 T HA 0.234 4.587 4.350 0.005 0.000 0.303 270 T C 0.863 175.602 174.700 0.066 0.000 1.025 270 T CA -0.051 62.112 62.100 0.106 0.000 1.142 270 T CB -0.038 68.901 68.868 0.119 0.000 0.947 270 T HN 0.518 nan 8.240 nan 0.000 0.544 271 M N 3.072 122.696 119.600 0.040 0.000 2.184 271 M HA 0.197 4.679 4.480 0.005 0.000 0.296 271 M C -1.641 174.656 176.300 -0.004 0.000 1.165 271 M CA -1.985 53.319 55.300 0.007 0.000 1.175 271 M CB -1.168 31.407 32.600 -0.042 0.000 1.392 271 M HN 0.331 nan 8.290 nan 0.000 0.457 272 P HA 0.017 nan 4.420 nan 0.000 0.270 272 P C -0.470 176.801 177.300 -0.048 0.000 1.221 272 P CA -0.034 63.042 63.100 -0.039 0.000 0.788 272 P CB 0.266 31.928 31.700 -0.064 0.000 0.904 273 R N 1.272 121.755 120.500 -0.028 0.000 3.150 273 R HA -0.110 4.233 4.340 0.005 0.000 0.279 273 R C 1.611 177.891 176.300 -0.033 0.000 0.742 273 R CA 0.526 56.617 56.100 -0.015 0.000 1.080 273 R CB -1.228 29.062 30.300 -0.017 0.000 0.918 273 R HN 0.453 nan 8.270 nan 0.000 0.386 274 V N 1.058 120.999 119.914 0.046 0.000 2.310 274 V HA -0.415 3.708 4.120 0.005 0.000 0.254 274 V C 1.356 177.478 176.094 0.046 0.000 1.078 274 V CA 2.341 64.725 62.300 0.139 0.000 1.104 274 V CB -0.987 30.950 31.823 0.191 0.000 0.786 274 V HN 0.925 nan 8.190 nan 0.000 0.469 275 S N -1.030 114.688 115.700 0.030 0.000 3.482 275 S HA -0.285 4.188 4.470 0.005 0.000 0.294 275 S C 0.574 175.214 174.600 0.067 0.000 1.244 275 S CA 1.943 60.158 58.200 0.025 0.000 0.911 275 S CB -1.425 61.765 63.200 -0.017 0.000 1.070 275 S HN 1.269 nan 8.310 nan 0.000 0.614 276 E N -1.315 118.937 120.200 0.087 0.000 3.028 276 E HA -0.217 4.136 4.350 0.005 0.000 0.346 276 E C -0.158 176.505 176.600 0.106 0.000 1.360 276 E CA 0.842 57.289 56.400 0.078 0.000 1.303 276 E CB -1.727 28.002 29.700 0.048 0.000 1.682 276 E HN 0.381 nan 8.360 nan 0.000 0.509 277 D N 0.801 121.254 120.400 0.088 0.000 2.371 277 D HA 0.020 4.663 4.640 0.005 0.000 0.221 277 D C 1.339 177.717 176.300 0.129 0.000 0.986 277 D CA 0.747 54.802 54.000 0.092 0.000 0.899 277 D CB 0.239 41.077 40.800 0.063 0.000 0.902 277 D HN 0.076 nan 8.370 nan 0.000 0.530 278 V N 1.001 121.013 119.914 0.163 0.000 3.577 278 V HA -0.062 4.061 4.120 0.005 0.000 0.294 278 V C 1.505 177.761 176.094 0.269 0.000 1.317 278 V CA -0.081 62.340 62.300 0.201 0.000 1.169 278 V CB -0.955 31.024 31.823 0.260 0.000 1.011 278 V HN 0.120 nan 8.190 nan 0.000 0.426 279 Y N 1.867 122.235 120.300 0.113 0.000 2.089 279 Y HA -0.254 4.299 4.550 0.004 0.000 0.282 279 Y C 2.700 178.652 175.900 0.086 0.000 1.139 279 Y CA 1.982 60.138 58.100 0.094 0.000 1.123 279 Y CB 0.022 38.509 38.460 0.045 0.000 0.980 279 Y HN 0.126 nan 8.280 nan 0.000 0.493 280 R N -0.534 120.117 120.500 0.252 0.000 2.091 280 R HA -0.166 4.177 4.340 0.005 0.000 0.238 280 R C 2.373 178.663 176.300 -0.017 0.000 1.136 280 R CA 1.683 57.863 56.100 0.133 0.000 0.959 280 R CB -0.599 29.786 30.300 0.141 0.000 0.856 280 R HN 0.272 nan 8.270 nan 0.000 0.437 281 S N -0.212 115.468 115.700 -0.033 0.000 2.402 281 S HA -0.102 4.370 4.470 0.005 0.000 0.229 281 S C 1.666 176.117 174.600 -0.248 0.000 1.021 281 S CA 0.813 58.919 58.200 -0.156 0.000 0.974 281 S CB -0.234 62.880 63.200 -0.143 0.000 0.800 281 S HN 0.398 nan 8.310 nan 0.000 0.484 282 H N 0.272 119.259 119.070 -0.139 0.000 2.428 282 H HA 0.109 4.668 4.556 0.005 0.000 0.296 282 H C 2.180 177.386 175.328 -0.203 0.000 1.062 282 H CA 1.065 57.021 56.048 -0.152 0.000 1.350 282 H CB -0.153 29.521 29.762 -0.147 0.000 1.403 282 H HN 0.221 nan 8.280 nan 0.000 0.533 283 V N 1.026 120.850 119.914 -0.150 0.000 2.515 283 V HA -0.191 3.932 4.120 0.005 0.000 0.250 283 V C 2.780 178.794 176.094 -0.134 0.000 1.058 283 V CA 1.277 63.490 62.300 -0.144 0.000 1.064 283 V CB -0.864 30.876 31.823 -0.139 0.000 0.675 283 V HN 0.416 nan 8.190 nan 0.000 0.461 284 A N 0.748 123.405 122.820 -0.272 0.000 1.902 284 A HA -0.114 4.209 4.320 0.005 0.000 0.217 284 A C 2.429 179.697 177.584 -0.527 0.000 1.181 284 A CA 1.979 53.631 52.037 -0.641 0.000 0.623 284 A CB -1.189 17.182 19.000 -1.050 0.000 0.818 284 A HN 0.517 nan 8.150 nan 0.000 0.443 285 G N -0.775 107.780 108.800 -0.409 0.000 2.418 285 G HA2 -0.294 3.668 3.960 0.005 0.000 0.217 285 G HA3 -0.294 3.668 3.960 0.005 0.000 0.217 285 G C 1.618 176.174 174.900 -0.573 0.000 1.158 285 G CA 1.142 45.927 45.100 -0.525 0.000 0.771 285 G HN 0.675 nan 8.290 nan 0.000 0.545 286 Q N -0.662 119.018 119.800 -0.200 0.000 2.096 286 Q HA -0.134 4.209 4.340 0.005 0.000 0.204 286 Q C 2.458 178.464 176.000 0.011 0.000 0.982 286 Q CA 1.500 57.274 55.803 -0.048 0.000 0.850 286 Q CB -0.168 28.580 28.738 0.017 0.000 0.901 286 Q HN 0.348 nan 8.270 nan 0.000 0.422 287 M N -0.140 119.497 119.600 0.060 0.000 2.254 287 M HA -0.062 4.421 4.480 0.005 0.000 0.265 287 M C 2.057 178.492 176.300 0.225 0.000 1.066 287 M CA 0.787 56.206 55.300 0.198 0.000 1.123 287 M CB -0.803 32.011 32.600 0.357 0.000 1.388 287 M HN 0.317 nan 8.290 nan 0.000 0.425 288 L N 0.318 121.637 121.223 0.160 0.000 2.102 288 L HA -0.100 4.242 4.340 0.005 0.000 0.202 288 L C 2.374 179.293 176.870 0.081 0.000 1.076 288 L CA 1.708 56.637 54.840 0.148 0.000 0.761 288 L CB -0.436 41.699 42.059 0.127 0.000 0.921 288 L HN 0.524 nan 8.230 nan 0.000 0.444 289 H N -4.283 114.865 119.070 0.130 0.000 3.360 289 H HA 0.412 4.971 4.556 0.004 0.000 0.262 289 H C 1.298 176.743 175.328 0.194 0.000 1.149 289 H CA 0.584 56.673 56.048 0.069 0.000 1.181 289 H CB 0.697 30.423 29.762 -0.060 0.000 1.564 289 H HN 0.250 nan 8.280 nan 0.000 0.565 290 G N 0.664 109.621 108.800 0.263 0.000 2.213 290 G HA2 -0.228 3.734 3.960 0.005 0.000 0.226 290 G HA3 -0.228 3.734 3.960 0.005 0.000 0.226 290 G C 1.296 176.360 174.900 0.274 0.000 0.992 290 G CA 0.675 45.941 45.100 0.277 0.000 0.632 290 G HN 1.319 nan 8.290 nan 0.000 0.511 291 G N -1.143 107.940 108.800 0.472 0.000 2.268 291 G HA2 0.459 4.421 3.960 0.005 0.000 0.240 291 G HA3 0.459 4.421 3.960 0.005 0.000 0.240 291 G C 1.489 176.505 174.900 0.193 0.000 1.010 291 G CA 0.950 46.250 45.100 0.333 0.000 0.618 291 G HN 2.900 nan 8.290 nan 0.000 0.516 292 G N -1.603 107.287 108.800 0.150 0.000 2.345 292 G HA2 0.521 4.484 3.960 0.005 0.000 0.310 292 G HA3 0.521 4.484 3.960 0.005 0.000 0.310 292 G C 0.743 175.678 174.900 0.059 0.000 1.476 292 G CA 0.958 46.094 45.100 0.061 0.000 0.978 292 G HN 1.706 nan 8.290 nan 0.000 0.656 293 S N -0.566 115.144 115.700 0.016 0.000 2.440 293 S HA -0.137 4.336 4.470 0.005 0.000 0.238 293 S C 1.854 176.475 174.600 0.035 0.000 1.010 293 S CA 1.874 60.069 58.200 -0.008 0.000 0.972 293 S CB -0.016 63.167 63.200 -0.029 0.000 0.774 293 S HN 0.773 nan 8.310 nan 0.000 0.501 294 R N 0.123 120.666 120.500 0.071 0.000 2.362 294 R HA 0.509 4.852 4.340 0.005 0.000 0.227 294 R C 1.217 177.605 176.300 0.146 0.000 0.905 294 R CA 0.204 56.369 56.100 0.109 0.000 1.067 294 R CB -0.284 30.056 30.300 0.068 0.000 1.078 294 R HN 0.493 nan 8.270 nan 0.000 0.516 295 L N -1.451 119.866 121.223 0.156 0.000 2.864 295 L HA 0.304 4.647 4.340 0.005 0.000 0.177 295 L C 0.729 177.744 176.870 0.242 0.000 1.341 295 L CA 0.029 54.965 54.840 0.160 0.000 0.892 295 L CB 0.035 42.172 42.059 0.131 0.000 1.290 295 L HN 0.100 nan 8.230 nan 0.000 0.545 296 N N -2.122 116.722 118.700 0.240 0.000 1.893 296 N HA 0.037 4.779 4.740 0.005 0.000 0.232 296 N C 1.414 177.057 175.510 0.222 0.000 1.392 296 N CA 0.191 53.375 53.050 0.223 0.000 0.801 296 N CB 0.711 39.294 38.487 0.161 0.000 1.084 296 N HN -0.069 nan 8.380 nan 0.000 0.479 297 S N 0.324 116.144 115.700 0.200 0.000 2.399 297 S HA -0.044 4.429 4.470 0.005 0.000 0.231 297 S C 1.823 176.487 174.600 0.106 0.000 1.022 297 S CA 1.433 59.754 58.200 0.201 0.000 0.983 297 S CB -0.213 63.076 63.200 0.149 0.000 0.803 297 S HN 0.502 nan 8.310 nan 0.000 0.480 298 G N 0.836 109.598 108.800 -0.063 0.000 2.813 298 G HA2 -0.022 3.941 3.960 0.005 0.000 0.209 298 G HA3 -0.022 3.941 3.960 0.005 0.000 0.209 298 G C 0.626 175.498 174.900 -0.047 0.000 1.150 298 G CA -0.259 44.657 45.100 -0.305 0.000 0.785 298 G HN 0.477 nan 8.290 nan 0.000 0.535 299 N N 0.665 119.469 118.700 0.174 0.000 2.843 299 N HA 0.115 4.858 4.740 0.005 0.000 0.284 299 N C -0.205 175.306 175.510 0.001 0.000 1.274 299 N CA -0.083 53.052 53.050 0.142 0.000 1.045 299 N CB -0.062 38.523 38.487 0.163 0.000 1.370 299 N HN 0.175 nan 8.380 nan 0.000 0.525 300 R N -0.194 120.304 120.500 -0.002 0.000 2.781 300 R HA 0.280 4.623 4.340 0.005 0.000 0.268 300 R C -1.478 174.950 176.300 0.212 0.000 1.047 300 R CA -0.670 55.376 56.100 -0.090 0.000 0.925 300 R CB 1.140 31.009 30.300 -0.719 0.000 1.246 300 R HN 0.207 nan 8.270 nan 0.000 0.456 301 W N 1.844 123.044 121.300 -0.167 0.000 2.183 301 W HA 0.249 4.912 4.660 0.005 0.000 0.289 301 W C -0.902 175.567 176.519 -0.083 0.000 1.029 301 W CA -0.628 56.698 57.345 -0.033 0.000 1.264 301 W CB 0.367 29.886 29.460 0.098 0.000 1.232 301 W HN 0.575 nan 8.180 nan 0.000 0.311 302 F N 1.170 121.054 119.950 -0.111 0.000 2.583 302 F HA -0.135 4.395 4.527 0.005 0.000 0.297 302 F C 1.837 177.622 175.800 -0.025 0.000 1.131 302 F CA 1.237 59.195 58.000 -0.070 0.000 1.467 302 F CB -0.185 38.725 39.000 -0.150 0.000 1.097 302 F HN 0.018 nan 8.300 nan 0.000 0.586 303 D N -0.259 120.195 120.400 0.091 0.000 2.289 303 D HA -0.060 4.583 4.640 0.005 0.000 0.207 303 D C 1.065 177.567 176.300 0.337 0.000 0.966 303 D CA 0.593 54.730 54.000 0.229 0.000 0.868 303 D CB -0.093 40.896 40.800 0.315 0.000 0.943 303 D HN -0.004 nan 8.370 nan 0.000 0.514 304 K N 0.934 121.598 120.400 0.438 0.000 2.416 304 K HA 0.042 4.365 4.320 0.005 0.000 0.283 304 K C 1.045 177.797 176.600 0.254 0.000 1.037 304 K CA 0.245 56.748 56.287 0.360 0.000 0.995 304 K CB 0.580 33.297 32.500 0.361 0.000 0.938 304 K HN -0.219 nan 8.250 nan 0.000 0.475 305 T N 3.327 118.015 114.554 0.223 0.000 2.684 305 T HA -0.134 4.219 4.350 0.005 0.000 0.267 305 T C 0.404 175.215 174.700 0.184 0.000 1.036 305 T CA 1.015 63.227 62.100 0.188 0.000 1.148 305 T CB -0.079 68.883 68.868 0.157 0.000 0.863 305 T HN 0.476 nan 8.240 nan 0.000 0.436 306 L N 1.498 122.832 121.223 0.184 0.000 2.372 306 L HA 0.404 4.747 4.340 0.005 0.000 0.274 306 L C -1.404 175.592 176.870 0.210 0.000 0.988 306 L CA -0.597 54.325 54.840 0.136 0.000 0.833 306 L CB 1.656 43.771 42.059 0.093 0.000 1.236 306 L HN 0.118 nan 8.230 nan 0.000 0.410 307 Q N 4.977 124.847 119.800 0.117 0.000 2.320 307 Q HA 0.400 4.742 4.340 0.005 0.000 0.268 307 Q C -1.441 174.619 176.000 0.100 0.000 1.023 307 Q CA -0.495 55.414 55.803 0.176 0.000 0.744 307 Q CB 2.583 31.388 28.738 0.113 0.000 1.246 307 Q HN 0.456 nan 8.270 nan 0.000 0.462 308 F N 2.155 122.244 119.950 0.232 0.000 2.375 308 F HA 0.465 4.995 4.527 0.005 0.000 0.333 308 F C 0.263 176.174 175.800 0.184 0.000 1.104 308 F CA -0.383 57.734 58.000 0.194 0.000 1.149 308 F CB 0.913 40.040 39.000 0.212 0.000 1.190 308 F HN 0.339 nan 8.300 nan 0.000 0.533 309 I N 3.286 124.074 120.570 0.363 0.000 2.466 309 I HA 0.422 4.595 4.170 0.005 0.000 0.289 309 I C -1.312 175.008 176.117 0.339 0.000 1.026 309 I CA -0.771 60.703 61.300 0.291 0.000 1.078 309 I CB 1.878 40.008 38.000 0.217 0.000 1.249 309 I HN 0.109 nan 8.210 nan 0.000 0.429 310 V N 5.572 125.680 119.914 0.325 0.000 2.447 310 V HA 0.629 4.752 4.120 0.005 0.000 0.292 310 V C 0.198 176.498 176.094 0.343 0.000 1.021 310 V CA -0.498 62.033 62.300 0.385 0.000 0.850 310 V CB 1.475 33.542 31.823 0.406 0.000 1.005 310 V HN 0.827 nan 8.190 nan 0.000 0.426 311 A N 3.045 126.073 122.820 0.346 0.000 2.264 311 A HA 0.619 4.942 4.320 0.005 0.000 0.304 311 A C 0.974 178.796 177.584 0.396 0.000 1.100 311 A CA -0.393 51.829 52.037 0.308 0.000 0.839 311 A CB 0.597 19.732 19.000 0.225 0.000 1.121 311 A HN 0.857 nan 8.150 nan 0.000 0.496 312 E N 0.314 120.723 120.200 0.349 0.000 2.160 312 E HA -0.218 4.135 4.350 0.005 0.000 0.195 312 E C 0.692 177.526 176.600 0.389 0.000 0.991 312 E CA 1.491 58.118 56.400 0.377 0.000 0.810 312 E CB -0.012 29.876 29.700 0.314 0.000 0.742 312 E HN 0.832 nan 8.360 nan 0.000 0.466 313 D N -0.958 119.596 120.400 0.256 0.000 2.363 313 D HA -0.036 4.607 4.640 0.005 0.000 0.226 313 D C 1.305 177.586 176.300 -0.031 0.000 1.020 313 D CA 0.965 55.051 54.000 0.143 0.000 0.892 313 D CB 0.445 41.338 40.800 0.154 0.000 0.900 313 D HN 0.263 nan 8.370 nan 0.000 0.531 314 G N -0.364 108.375 108.800 -0.102 0.000 2.201 314 G HA2 -0.235 3.728 3.960 0.005 0.000 0.212 314 G HA3 -0.235 3.728 3.960 0.005 0.000 0.212 314 G C 0.208 174.985 174.900 -0.206 0.000 0.994 314 G CA 0.094 44.799 45.100 -0.658 0.000 0.644 314 G HN 0.371 nan 8.290 nan 0.000 0.508 315 S N 0.391 116.115 115.700 0.039 0.000 2.510 315 S HA 0.538 5.011 4.470 0.005 0.000 0.279 315 S C 0.330 175.033 174.600 0.172 0.000 1.284 315 S CA 0.387 58.653 58.200 0.109 0.000 1.059 315 S CB 1.090 64.362 63.200 0.120 0.000 0.901 315 S HN 0.661 nan 8.310 nan 0.000 0.491 316 C N 2.012 121.422 119.300 0.182 0.000 3.080 316 C HA 1.018 5.481 4.460 0.005 0.000 0.307 316 C C 0.842 175.991 174.990 0.264 0.000 1.311 316 C CA -0.346 58.840 59.018 0.280 0.000 1.533 316 C CB 1.453 29.418 27.740 0.375 0.000 1.970 316 C HN 1.069 nan 8.230 nan 0.000 0.467 317 G N 0.280 109.257 108.800 0.295 0.000 2.392 317 G HA2 0.650 4.613 3.960 0.005 0.000 0.260 317 G HA3 0.650 4.613 3.960 0.005 0.000 0.260 317 G C -2.029 172.959 174.900 0.146 0.000 1.226 317 G CA 0.218 45.449 45.100 0.219 0.000 0.913 317 G HN 1.515 nan 8.290 nan 0.000 0.483 318 L N -2.804 118.432 121.223 0.021 0.000 2.838 318 L HA 0.969 5.312 4.340 0.005 0.000 0.266 318 L C -1.262 175.588 176.870 -0.034 0.000 1.040 318 L CA -1.235 53.541 54.840 -0.106 0.000 0.906 318 L CB 1.508 43.280 42.059 -0.478 0.000 1.501 318 L HN 1.402 nan 8.230 nan 0.000 0.407 319 V N 1.217 121.130 119.914 -0.003 0.000 2.733 319 V HA 0.776 4.899 4.120 0.005 0.000 0.306 319 V C -1.738 174.413 176.094 0.097 0.000 1.084 319 V CA -0.188 62.151 62.300 0.066 0.000 0.905 319 V CB 1.903 33.830 31.823 0.174 0.000 1.010 319 V HN 1.162 nan 8.190 nan 0.000 0.424 320 Y N 3.577 123.849 120.300 -0.048 0.000 2.499 320 Y HA 0.748 5.300 4.550 0.004 0.000 0.347 320 Y C -0.345 175.545 175.900 -0.016 0.000 0.987 320 Y CA -1.004 57.063 58.100 -0.056 0.000 1.044 320 Y CB 1.546 39.918 38.460 -0.147 0.000 1.245 320 Y HN 0.625 nan 8.280 nan 0.000 0.461 321 E N 2.621 122.855 120.200 0.056 0.000 2.344 321 E HA -0.014 4.339 4.350 0.005 0.000 0.270 321 E C 0.038 176.600 176.600 -0.064 0.000 1.021 321 E CA 0.326 56.721 56.400 -0.008 0.000 0.887 321 E CB 0.435 30.190 29.700 0.092 0.000 0.997 321 E HN 0.961 nan 8.360 nan 0.000 0.429 322 H N 3.726 122.618 119.070 -0.297 0.000 2.482 322 H HA 0.106 4.665 4.556 0.005 0.000 0.286 322 H C 1.460 176.391 175.328 -0.662 0.000 1.017 322 H CA 1.221 57.046 56.048 -0.372 0.000 1.322 322 H CB 0.347 29.917 29.762 -0.320 0.000 1.426 322 H HN 0.586 nan 8.280 nan 0.000 0.546 323 A N 0.628 123.102 122.820 -0.576 0.000 2.032 323 A HA -0.157 4.166 4.320 0.005 0.000 0.221 323 A C 2.593 180.018 177.584 -0.265 0.000 1.165 323 A CA 1.740 53.368 52.037 -0.682 0.000 0.645 323 A CB -0.738 18.097 19.000 -0.275 0.000 0.807 323 A HN 0.479 nan 8.150 nan 0.000 0.453 324 A N -1.714 121.054 122.820 -0.087 0.000 1.975 324 A HA 0.579 4.902 4.320 0.005 0.000 0.215 324 A C 1.175 178.751 177.584 -0.014 0.000 1.170 324 A CA 1.628 53.656 52.037 -0.014 0.000 0.656 324 A CB -0.330 18.686 19.000 0.026 0.000 0.821 324 A HN 1.623 nan 8.150 nan 0.000 0.449 325 A N -1.576 121.257 122.820 0.022 0.000 2.467 325 A HA 0.614 4.937 4.320 0.005 0.000 0.301 325 A C -1.445 176.166 177.584 0.046 0.000 1.126 325 A CA -0.713 51.300 52.037 -0.040 0.000 0.632 325 A CB 0.395 19.248 19.000 -0.245 0.000 1.331 325 A HN 0.022 nan 8.150 nan 0.000 0.482 326 E N -0.542 119.631 120.200 -0.045 0.000 2.254 326 E HA 0.482 4.835 4.350 0.005 0.000 0.258 326 E C 1.356 177.868 176.600 -0.147 0.000 1.033 326 E CA 0.033 56.453 56.400 0.032 0.000 0.893 326 E CB 0.857 30.597 29.700 0.068 0.000 1.204 326 E HN 0.817 nan 8.360 nan 0.000 0.425 327 G N 1.079 109.857 108.800 -0.037 0.000 2.433 327 G HA2 -0.175 3.788 3.960 0.005 0.000 0.216 327 G HA3 -0.175 3.788 3.960 0.005 0.000 0.216 327 G C -1.068 173.749 174.900 -0.139 0.000 1.186 327 G CA 0.670 45.725 45.100 -0.076 0.000 0.779 327 G HN 0.370 nan 8.290 nan 0.000 0.543 328 P HA -0.091 nan 4.420 nan 0.000 0.216 328 P C -1.303 175.940 177.300 -0.095 0.000 1.157 328 P CA 1.948 65.007 63.100 -0.069 0.000 0.880 328 P CB -0.707 30.972 31.700 -0.034 0.000 0.791 329 P HA -0.111 nan 4.420 nan 0.000 0.217 329 P C 1.541 178.679 177.300 -0.269 0.000 1.150 329 P CA 1.111 63.998 63.100 -0.355 0.000 0.832 329 P CB -0.470 30.712 31.700 -0.863 0.000 0.787 330 I N -0.416 119.916 120.570 -0.397 0.000 2.179 330 I HA -0.157 4.016 4.170 0.005 0.000 0.242 330 I C 2.246 178.214 176.117 -0.249 0.000 1.088 330 I CA 1.820 62.854 61.300 -0.444 0.000 1.357 330 I CB -1.514 36.017 38.000 -0.782 0.000 1.051 330 I HN -0.064 nan 8.210 nan 0.000 0.409 331 V N -2.411 117.403 119.914 -0.167 0.000 2.970 331 V HA -0.114 4.009 4.120 0.005 0.000 0.260 331 V C 2.211 178.297 176.094 -0.013 0.000 1.100 331 V CA 1.624 63.878 62.300 -0.076 0.000 1.122 331 V CB -1.409 30.385 31.823 -0.048 0.000 0.721 331 V HN 0.271 nan 8.190 nan 0.000 0.483 332 T N 1.333 115.899 114.554 0.019 0.000 2.857 332 T HA -0.003 4.350 4.350 0.005 0.000 0.266 332 T C 1.770 176.512 174.700 0.069 0.000 1.048 332 T CA 1.798 63.958 62.100 0.101 0.000 1.139 332 T CB -0.224 68.774 68.868 0.217 0.000 0.874 332 T HN 0.460 nan 8.240 nan 0.000 0.455 333 L N 1.359 122.553 121.223 -0.048 0.000 2.056 333 L HA 0.109 4.452 4.340 0.005 0.000 0.207 333 L C 2.084 178.857 176.870 -0.160 0.000 1.078 333 L CA 1.462 56.084 54.840 -0.363 0.000 0.749 333 L CB -1.030 40.690 42.059 -0.564 0.000 0.901 333 L HN 0.152 nan 8.230 nan 0.000 0.433 334 L N -0.174 121.018 121.223 -0.052 0.000 2.017 334 L HA -0.196 4.147 4.340 0.005 0.000 0.208 334 L C 2.113 179.044 176.870 0.102 0.000 1.073 334 L CA 1.921 56.803 54.840 0.069 0.000 0.745 334 L CB -1.071 41.018 42.059 0.050 0.000 0.894 334 L HN 0.309 nan 8.230 nan 0.000 0.432 335 D N -1.482 118.971 120.400 0.089 0.000 2.123 335 D HA -0.277 4.366 4.640 0.005 0.000 0.196 335 D C 2.030 178.405 176.300 0.125 0.000 0.992 335 D CA 1.728 55.790 54.000 0.103 0.000 0.833 335 D CB -0.359 40.499 40.800 0.096 0.000 0.954 335 D HN 0.487 nan 8.370 nan 0.000 0.455 336 Y N 1.498 121.820 120.300 0.036 0.000 2.128 336 Y HA -0.242 4.311 4.550 0.004 0.000 0.284 336 Y C 2.279 178.227 175.900 0.080 0.000 1.154 336 Y CA 1.227 59.373 58.100 0.077 0.000 1.149 336 Y CB -0.380 38.152 38.460 0.119 0.000 0.976 336 Y HN -0.197 nan 8.280 nan 0.000 0.505 337 V N 0.250 120.310 119.914 0.243 0.000 2.295 337 V HA -0.326 3.796 4.120 0.005 0.000 0.246 337 V C 2.366 178.514 176.094 0.090 0.000 1.049 337 V CA 1.790 64.160 62.300 0.117 0.000 1.024 337 V CB -0.691 31.115 31.823 -0.028 0.000 0.648 337 V HN 0.410 nan 8.190 nan 0.000 0.447 338 I N 0.123 120.755 120.570 0.103 0.000 2.226 338 I HA -0.208 3.965 4.170 0.005 0.000 0.245 338 I C 2.520 178.692 176.117 0.091 0.000 1.100 338 I CA 1.580 62.956 61.300 0.126 0.000 1.374 338 I CB -1.277 36.814 38.000 0.151 0.000 1.057 338 I HN 0.467 nan 8.210 nan 0.000 0.413 339 E N -0.170 120.055 120.200 0.041 0.000 2.085 339 E HA -0.279 4.074 4.350 0.005 0.000 0.194 339 E C 2.205 178.780 176.600 -0.042 0.000 0.994 339 E CA 1.364 57.752 56.400 -0.019 0.000 0.801 339 E CB -0.341 29.310 29.700 -0.082 0.000 0.743 339 E HN 0.484 nan 8.360 nan 0.000 0.453 340 Y N 1.678 121.881 120.300 -0.162 0.000 2.181 340 Y HA -0.242 4.311 4.550 0.004 0.000 0.288 340 Y C 2.644 178.503 175.900 -0.068 0.000 1.146 340 Y CA 2.005 60.021 58.100 -0.140 0.000 1.164 340 Y CB -0.503 37.882 38.460 -0.125 0.000 0.982 340 Y HN 0.073 nan 8.280 nan 0.000 0.515 341 T N -2.309 112.335 114.554 0.150 0.000 2.977 341 T HA -0.156 4.196 4.350 0.005 0.000 0.271 341 T C 1.531 176.248 174.700 0.029 0.000 1.105 341 T CA 1.556 63.715 62.100 0.099 0.000 1.116 341 T CB -0.330 68.608 68.868 0.117 0.000 0.878 341 T HN 0.377 nan 8.240 nan 0.000 0.509 342 K N 0.558 120.953 120.400 -0.008 0.000 2.400 342 K HA 0.178 4.501 4.320 0.005 0.000 0.194 342 K C 0.598 177.148 176.600 -0.083 0.000 1.033 342 K CA 0.245 56.521 56.287 -0.018 0.000 1.021 342 K CB 0.259 32.758 32.500 -0.002 0.000 0.808 342 K HN 0.392 nan 8.250 nan 0.000 0.505 343 K N 2.234 122.528 120.400 -0.177 0.000 2.144 343 K HA 0.172 4.494 4.320 0.005 0.000 0.270 343 K C -2.365 174.114 176.600 -0.202 0.000 1.005 343 K CA -1.807 54.353 56.287 -0.212 0.000 0.932 343 K CB 0.482 32.790 32.500 -0.320 0.000 1.021 343 K HN -0.077 nan 8.250 nan 0.000 0.462 344 P HA 0.029 nan 4.420 nan 0.000 0.275 344 P C -0.929 176.295 177.300 -0.126 0.000 1.228 344 P CA -0.275 62.759 63.100 -0.109 0.000 0.786 344 P CB 0.782 32.437 31.700 -0.075 0.000 0.927 345 E N 1.801 121.946 120.200 -0.093 0.000 2.344 345 E HA 0.066 4.419 4.350 0.005 0.000 0.270 345 E C 0.403 176.976 176.600 -0.044 0.000 1.021 345 E CA -0.260 56.100 56.400 -0.066 0.000 0.887 345 E CB 0.252 29.937 29.700 -0.026 0.000 0.997 345 E HN 0.389 nan 8.360 nan 0.000 0.429 346 L N 3.450 124.655 121.223 -0.031 0.000 2.316 346 L HA 0.184 4.527 4.340 0.005 0.000 0.207 346 L C -0.095 176.776 176.870 0.001 0.000 1.070 346 L CA 0.092 54.922 54.840 -0.017 0.000 0.820 346 L CB 0.569 42.619 42.059 -0.014 0.000 0.992 346 L HN 0.350 nan 8.230 nan 0.000 0.466 347 V N 0.756 120.680 119.914 0.017 0.000 2.525 347 V HA 0.346 4.468 4.120 0.005 0.000 0.299 347 V C -0.423 175.691 176.094 0.034 0.000 1.034 347 V CA -0.684 61.631 62.300 0.025 0.000 0.863 347 V CB 1.858 33.703 31.823 0.035 0.000 0.999 347 V HN 0.170 nan 8.190 nan 0.000 0.423 348 R N 2.206 122.721 120.500 0.025 0.000 2.265 348 R HA 0.502 4.845 4.340 0.005 0.000 0.319 348 R C 0.278 176.599 176.300 0.035 0.000 1.006 348 R CA -0.281 55.837 56.100 0.030 0.000 0.880 348 R CB 1.673 31.982 30.300 0.015 0.000 1.077 348 R HN 0.701 nan 8.270 nan 0.000 0.454 349 S N 3.845 119.579 115.700 0.056 0.000 2.568 349 S HA 0.135 4.608 4.470 0.005 0.000 0.282 349 S C -1.750 172.854 174.600 0.007 0.000 1.338 349 S CA -1.214 57.015 58.200 0.049 0.000 1.045 349 S CB 0.385 63.663 63.200 0.130 0.000 0.873 349 S HN 0.401 nan 8.310 nan 0.000 0.516 350 P HA -0.006 nan 4.420 nan 0.000 0.265 350 P C -0.178 177.097 177.300 -0.043 0.000 1.187 350 P CA 0.013 63.089 63.100 -0.040 0.000 0.766 350 P CB 0.095 31.760 31.700 -0.057 0.000 0.820 351 M N 2.846 122.434 119.600 -0.020 0.000 2.251 351 M HA 0.374 4.856 4.480 0.005 0.000 0.346 351 M C -0.295 175.994 176.300 -0.018 0.000 1.499 351 M CA -0.129 55.166 55.300 -0.008 0.000 1.128 351 M CB -0.058 32.542 32.600 -0.000 0.000 1.809 351 M HN 0.162 nan 8.290 nan 0.000 0.464 352 V N 1.952 121.858 119.914 -0.013 0.000 3.159 352 V HA 0.786 4.909 4.120 0.005 0.000 0.308 352 V C -2.623 173.481 176.094 0.016 0.000 1.190 352 V CA -1.693 60.599 62.300 -0.014 0.000 1.037 352 V CB 1.392 33.184 31.823 -0.052 0.000 1.060 352 V HN 0.859 nan 8.190 nan 0.000 0.437 353 P HA 0.372 nan 4.420 nan 0.000 0.269 353 P C -1.068 176.260 177.300 0.047 0.000 1.209 353 P CA 0.019 63.136 63.100 0.028 0.000 0.776 353 P CB 0.823 32.536 31.700 0.020 0.000 0.876 354 L N 3.996 125.247 121.223 0.046 0.000 2.365 354 L HA 0.475 4.818 4.340 0.005 0.000 0.273 354 L C -1.690 175.201 176.870 0.035 0.000 1.000 354 L CA -2.145 52.727 54.840 0.054 0.000 0.819 354 L CB 1.970 44.061 42.059 0.053 0.000 1.284 354 L HN 0.351 nan 8.230 nan 0.000 0.418 355 P HA 0.169 nan 4.420 nan 0.000 0.274 355 P C -0.864 176.446 177.300 0.018 0.000 1.256 355 P CA -0.715 62.399 63.100 0.024 0.000 0.795 355 P CB 0.880 32.594 31.700 0.024 0.000 1.038 356 M N 1.650 121.261 119.600 0.019 0.000 2.146 356 M HA 0.356 4.839 4.480 0.005 0.000 0.352 356 M C -2.422 173.901 176.300 0.039 0.000 1.343 356 M CA -2.328 52.987 55.300 0.024 0.000 1.115 356 M CB -0.298 32.320 32.600 0.031 0.000 1.657 356 M HN 0.075 nan 8.290 nan 0.000 0.471 357 P HA 0.027 nan 4.420 nan 0.000 0.265 357 P C -1.404 175.994 177.300 0.163 0.000 1.193 357 P CA 0.067 63.217 63.100 0.084 0.000 0.765 357 P CB 0.301 32.037 31.700 0.060 0.000 0.823 358 K N 3.336 123.801 120.400 0.108 0.000 2.349 358 K HA 0.095 4.418 4.320 0.005 0.000 0.288 358 K C 0.095 176.704 176.600 0.016 0.000 1.058 358 K CA -0.431 55.886 56.287 0.049 0.000 0.953 358 K CB 0.327 32.804 32.500 -0.038 0.000 0.997 358 K HN 0.259 nan 8.250 nan 0.000 0.477 359 K N 5.259 125.601 120.400 -0.097 0.000 2.322 359 K HA 0.127 4.449 4.320 0.005 0.000 0.283 359 K C -0.652 175.719 176.600 -0.382 0.000 1.042 359 K CA -0.346 55.632 56.287 -0.515 0.000 0.958 359 K CB 0.497 32.706 32.500 -0.486 0.000 0.984 359 K HN 0.571 nan 8.250 nan 0.000 0.473 360 L N 6.531 127.498 121.223 -0.427 0.000 2.288 360 L HA 0.314 4.657 4.340 0.005 0.000 0.283 360 L C 0.383 176.953 176.870 -0.499 0.000 1.072 360 L CA -0.491 54.108 54.840 -0.402 0.000 0.862 360 L CB 0.546 42.389 42.059 -0.361 0.000 1.245 360 L HN 0.551 nan 8.230 nan 0.000 0.432 361 R N 2.249 122.487 120.500 -0.437 0.000 2.560 361 R HA 0.558 4.901 4.340 0.005 0.000 0.270 361 R C -1.128 174.848 176.300 -0.540 0.000 1.074 361 R CA -0.319 55.572 56.100 -0.348 0.000 1.140 361 R CB 0.920 31.111 30.300 -0.182 0.000 1.073 361 R HN 0.195 nan 8.270 nan 0.000 0.527 362 F N 0.204 120.151 119.950 -0.006 0.000 2.547 362 F HA 0.277 4.807 4.527 0.005 0.000 0.316 362 F C -0.050 175.760 175.800 0.016 0.000 1.121 362 F CA -0.987 57.022 58.000 0.015 0.000 0.911 362 F CB 1.688 40.723 39.000 0.058 0.000 1.179 362 F HN 0.265 nan 8.300 nan 0.000 0.443 363 N N 4.443 123.260 118.700 0.196 0.000 2.420 363 N HA 0.310 5.053 4.740 0.005 0.000 0.249 363 N C -0.733 174.852 175.510 0.124 0.000 1.033 363 N CA -0.216 52.904 53.050 0.115 0.000 0.944 363 N CB 1.283 39.809 38.487 0.066 0.000 1.113 363 N HN 0.317 nan 8.380 nan 0.000 0.502 364 I N 2.039 122.670 120.570 0.101 0.000 2.331 364 I HA 0.200 4.372 4.170 0.005 0.000 0.292 364 I C 1.241 177.389 176.117 0.052 0.000 0.998 364 I CA -0.405 60.941 61.300 0.077 0.000 1.267 364 I CB 0.610 38.651 38.000 0.068 0.000 1.386 364 I HN 0.364 nan 8.210 nan 0.000 0.476 365 T N 3.813 118.393 114.554 0.043 0.000 2.949 365 T HA 0.495 4.847 4.350 0.005 0.000 0.287 365 T C -1.770 172.945 174.700 0.026 0.000 1.034 365 T CA -1.761 60.358 62.100 0.032 0.000 1.018 365 T CB 1.979 70.864 68.868 0.028 0.000 1.135 365 T HN 0.353 nan 8.240 nan 0.000 0.532 366 P HA -0.121 nan 4.420 nan 0.000 0.216 366 P C 1.154 178.464 177.300 0.016 0.000 1.150 366 P CA 1.262 64.372 63.100 0.016 0.000 0.837 366 P CB 0.190 31.898 31.700 0.013 0.000 0.786 367 E N -0.147 120.063 120.200 0.018 0.000 2.051 367 E HA -0.127 4.226 4.350 0.005 0.000 0.192 367 E C 2.281 178.895 176.600 0.024 0.000 0.991 367 E CA 0.976 57.387 56.400 0.019 0.000 0.799 367 E CB -0.492 29.219 29.700 0.019 0.000 0.748 367 E HN 0.278 nan 8.360 nan 0.000 0.449 368 I N 1.123 121.711 120.570 0.029 0.000 2.226 368 I HA -0.255 3.918 4.170 0.005 0.000 0.245 368 I C 2.490 178.619 176.117 0.020 0.000 1.100 368 I CA 0.919 62.239 61.300 0.033 0.000 1.374 368 I CB -0.179 37.844 38.000 0.038 0.000 1.057 368 I HN -0.003 nan 8.210 nan 0.000 0.413 369 K N 1.356 121.766 120.400 0.017 0.000 2.063 369 K HA -0.137 4.185 4.320 0.005 0.000 0.208 369 K C 2.107 178.709 176.600 0.004 0.000 1.048 369 K CA 1.938 58.230 56.287 0.009 0.000 0.928 369 K CB -0.413 32.094 32.500 0.012 0.000 0.713 369 K HN 0.108 nan 8.250 nan 0.000 0.442 370 S N 1.083 116.788 115.700 0.008 0.000 2.382 370 S HA -0.119 4.354 4.470 0.005 0.000 0.228 370 S C 1.328 175.931 174.600 0.006 0.000 1.027 370 S CA 1.488 59.691 58.200 0.005 0.000 0.991 370 S CB -0.422 62.783 63.200 0.008 0.000 0.823 370 S HN 0.417 nan 8.310 nan 0.000 0.469 371 D N 1.255 121.664 120.400 0.016 0.000 2.144 371 D HA 0.028 4.671 4.640 0.005 0.000 0.200 371 D C 1.830 178.130 176.300 -0.000 0.000 0.978 371 D CA 0.673 54.688 54.000 0.025 0.000 0.833 371 D CB -0.268 40.569 40.800 0.062 0.000 0.961 371 D HN 0.354 nan 8.370 nan 0.000 0.470 372 I N 1.196 121.757 120.570 -0.015 0.000 2.226 372 I HA -0.210 3.963 4.170 0.005 0.000 0.245 372 I C 2.294 178.382 176.117 -0.048 0.000 1.100 372 I CA 0.951 62.222 61.300 -0.049 0.000 1.374 372 I CB -0.056 37.913 38.000 -0.052 0.000 1.057 372 I HN -0.101 nan 8.210 nan 0.000 0.413 373 E N 1.158 121.340 120.200 -0.030 0.000 2.077 373 E HA -0.200 4.152 4.350 0.005 0.000 0.193 373 E C 2.124 178.707 176.600 -0.029 0.000 0.989 373 E CA 1.189 57.572 56.400 -0.027 0.000 0.800 373 E CB -0.189 29.502 29.700 -0.016 0.000 0.746 373 E HN 0.486 nan 8.360 nan 0.000 0.452 374 K N 0.567 120.954 120.400 -0.022 0.000 2.097 374 K HA -0.048 4.275 4.320 0.005 0.000 0.206 374 K C 2.133 178.714 176.600 -0.033 0.000 1.049 374 K CA 1.137 57.411 56.287 -0.022 0.000 0.933 374 K CB -0.106 32.388 32.500 -0.010 0.000 0.717 374 K HN 0.040 nan 8.250 nan 0.000 0.442 375 A N 1.815 124.608 122.820 -0.045 0.000 1.930 375 A HA -0.170 4.153 4.320 0.005 0.000 0.217 375 A C 1.855 179.393 177.584 -0.077 0.000 1.175 375 A CA 1.367 53.361 52.037 -0.071 0.000 0.627 375 A CB -0.216 18.717 19.000 -0.112 0.000 0.815 375 A HN 0.162 nan 8.150 nan 0.000 0.443 376 K N -0.486 119.871 120.400 -0.070 0.000 2.057 376 K HA -0.173 4.149 4.320 0.005 0.000 0.207 376 K C 2.311 178.881 176.600 -0.051 0.000 1.049 376 K CA 1.663 57.910 56.287 -0.065 0.000 0.931 376 K CB -0.208 32.257 32.500 -0.058 0.000 0.714 376 K HN 0.632 nan 8.250 nan 0.000 0.440 377 Q N 0.508 120.283 119.800 -0.042 0.000 2.079 377 Q HA -0.151 4.191 4.340 0.005 0.000 0.200 377 Q C 2.098 178.075 176.000 -0.038 0.000 0.974 377 Q CA 1.232 57.014 55.803 -0.034 0.000 0.840 377 Q CB -0.218 28.504 28.738 -0.028 0.000 0.898 377 Q HN 0.360 nan 8.270 nan 0.000 0.430 378 N N 0.839 119.516 118.700 -0.040 0.000 2.084 378 N HA -0.185 4.557 4.740 0.005 0.000 0.190 378 N C 1.887 177.369 175.510 -0.047 0.000 1.030 378 N CA 0.965 53.994 53.050 -0.035 0.000 0.849 378 N CB 0.012 38.482 38.487 -0.027 0.000 1.012 378 N HN 0.164 nan 8.380 nan 0.000 0.423 379 L N 1.471 122.652 121.223 -0.070 0.000 2.093 379 L HA -0.020 4.323 4.340 0.005 0.000 0.208 379 L C 2.418 179.227 176.870 -0.102 0.000 1.085 379 L CA 1.406 56.186 54.840 -0.100 0.000 0.755 379 L CB -0.870 41.124 42.059 -0.109 0.000 0.904 379 L HN 0.068 nan 8.230 nan 0.000 0.435 380 S N -0.276 115.379 115.700 -0.074 0.000 2.359 380 S HA -0.169 4.304 4.470 0.005 0.000 0.224 380 S C 1.977 176.540 174.600 -0.062 0.000 1.035 380 S CA 1.818 59.978 58.200 -0.066 0.000 1.018 380 S CB -0.438 62.738 63.200 -0.041 0.000 0.876 380 S HN 0.474 nan 8.310 nan 0.000 0.448 381 I N 1.201 121.744 120.570 -0.045 0.000 2.208 381 I HA -0.257 3.916 4.170 0.005 0.000 0.245 381 I C 2.410 178.510 176.117 -0.028 0.000 1.097 381 I CA 1.298 62.580 61.300 -0.030 0.000 1.363 381 I CB -0.349 37.637 38.000 -0.023 0.000 1.051 381 I HN 0.306 nan 8.210 nan 0.000 0.413 382 M N 0.093 119.670 119.600 -0.037 0.000 2.086 382 M HA -0.224 4.258 4.480 0.005 0.000 0.261 382 M C 2.355 178.605 176.300 -0.083 0.000 1.067 382 M CA 2.034 57.319 55.300 -0.026 0.000 1.116 382 M CB -0.379 32.179 32.600 -0.069 0.000 1.348 382 M HN 0.164 nan 8.290 nan 0.000 0.407 383 I N -0.256 120.197 120.570 -0.195 0.000 2.226 383 I HA -0.294 3.878 4.170 0.005 0.000 0.245 383 I C 2.325 178.358 176.117 -0.141 0.000 1.100 383 I CA 1.390 62.492 61.300 -0.330 0.000 1.374 383 I CB -0.397 37.316 38.000 -0.479 0.000 1.057 383 I HN 0.367 nan 8.210 nan 0.000 0.413 384 Q N 0.020 119.776 119.800 -0.073 0.000 2.226 384 Q HA -0.251 4.091 4.340 0.005 0.000 0.204 384 Q C 1.438 177.449 176.000 0.019 0.000 0.975 384 Q CA 1.540 57.333 55.803 -0.018 0.000 0.866 384 Q CB -0.071 28.660 28.738 -0.011 0.000 0.915 384 Q HN 0.365 nan 8.270 nan 0.000 0.440 385 D N -0.761 119.662 120.400 0.039 0.000 2.349 385 D HA -0.006 4.637 4.640 0.005 0.000 0.215 385 D C -0.559 175.860 176.300 0.197 0.000 1.016 385 D CA -0.071 53.993 54.000 0.106 0.000 0.870 385 D CB 0.366 41.224 40.800 0.096 0.000 0.917 385 D HN 0.010 nan 8.370 nan 0.000 0.524 386 L N 1.010 122.317 121.223 0.140 0.000 2.290 386 L HA 0.345 4.687 4.340 0.005 0.000 0.284 386 L C -0.929 175.973 176.870 0.054 0.000 1.078 386 L CA -0.270 54.651 54.840 0.134 0.000 0.815 386 L CB 1.403 43.528 42.059 0.111 0.000 1.162 386 L HN -0.185 nan 8.230 nan 0.000 0.435 387 D N 5.739 126.146 120.400 0.012 0.000 2.453 387 D HA 0.361 5.004 4.640 0.005 0.000 0.238 387 D C -1.127 175.152 176.300 -0.034 0.000 1.088 387 D CA -0.118 53.878 54.000 -0.007 0.000 0.854 387 D CB 0.748 41.556 40.800 0.013 0.000 1.076 387 D HN 0.571 nan 8.370 nan 0.000 0.533 388 I N 2.634 123.166 120.570 -0.064 0.000 2.545 388 I HA 0.556 4.729 4.170 0.005 0.000 0.292 388 I C -1.221 174.829 176.117 -0.112 0.000 1.040 388 I CA -0.339 60.903 61.300 -0.096 0.000 1.068 388 I CB 2.117 40.023 38.000 -0.158 0.000 1.251 388 I HN 0.302 nan 8.210 nan 0.000 0.424 389 T N 5.638 120.149 114.554 -0.072 0.000 2.909 389 T HA 0.638 4.991 4.350 0.005 0.000 0.299 389 T C -1.592 173.097 174.700 -0.019 0.000 1.073 389 T CA -0.393 61.680 62.100 -0.045 0.000 0.999 389 T CB 1.548 70.422 68.868 0.010 0.000 1.098 389 T HN 0.294 nan 8.240 nan 0.000 0.477 390 V N 5.509 125.424 119.914 0.002 0.000 2.495 390 V HA 0.641 4.763 4.120 0.005 0.000 0.298 390 V C -0.193 175.973 176.094 0.121 0.000 1.031 390 V CA -0.793 61.547 62.300 0.066 0.000 0.871 390 V CB 1.602 33.449 31.823 0.039 0.000 0.988 390 V HN 0.932 nan 8.190 nan 0.000 0.432 391 M N 5.705 125.421 119.600 0.195 0.000 2.259 391 M HA 0.628 5.111 4.480 0.005 0.000 0.304 391 M C -1.815 174.671 176.300 0.310 0.000 1.019 391 M CA -0.523 54.909 55.300 0.221 0.000 0.922 391 M CB 1.905 34.623 32.600 0.197 0.000 1.600 391 M HN 0.391 nan 8.290 nan 0.000 0.433 392 V N 5.855 125.920 119.914 0.253 0.000 2.334 392 V HA 0.249 4.371 4.120 0.005 0.000 0.267 392 V C -0.659 175.601 176.094 0.276 0.000 1.040 392 V CA -0.335 62.128 62.300 0.272 0.000 0.866 392 V CB 0.614 32.540 31.823 0.171 0.000 1.019 392 V HN 0.738 nan 8.190 nan 0.000 0.468 393 F N 6.300 126.376 119.950 0.210 0.000 2.439 393 F HA 0.298 4.827 4.527 0.005 0.000 0.356 393 F C 1.445 177.244 175.800 -0.001 0.000 1.161 393 F CA -0.492 57.557 58.000 0.082 0.000 1.151 393 F CB 0.258 39.386 39.000 0.213 0.000 1.222 393 F HN 0.768 nan 8.300 nan 0.000 0.558 394 H N 2.378 121.202 119.070 -0.410 0.000 2.551 394 H HA 0.047 4.606 4.556 0.005 0.000 0.266 394 H C 1.524 176.564 175.328 -0.481 0.000 0.964 394 H CA 1.024 56.848 56.048 -0.373 0.000 1.180 394 H CB -0.607 28.931 29.762 -0.372 0.000 1.408 394 H HN 0.642 nan 8.280 nan 0.000 0.563 395 H N 0.510 119.028 119.070 -0.919 0.000 2.352 395 H HA 0.011 4.570 4.556 0.005 0.000 0.299 395 H C 0.028 175.335 175.328 -0.035 0.000 1.097 395 H CA 1.713 57.446 56.048 -0.525 0.000 1.311 395 H CB -0.040 29.194 29.762 -0.880 0.000 1.377 395 H HN 0.550 nan 8.280 nan 0.000 0.504 396 F N -2.832 117.191 119.950 0.121 0.000 2.900 396 F HA 0.578 5.108 4.527 0.004 0.000 0.321 396 F C -0.002 176.004 175.800 0.344 0.000 1.160 396 F CA -0.648 57.498 58.000 0.245 0.000 0.890 396 F CB 0.834 39.974 39.000 0.232 0.000 1.334 396 F HN -0.014 nan 8.300 nan 0.000 0.459 397 G N 0.498 109.632 108.800 0.557 0.000 3.377 397 G HA2 0.307 4.269 3.960 0.005 0.000 0.182 397 G HA3 0.307 4.269 3.960 0.005 0.000 0.182 397 G C -0.154 174.942 174.900 0.327 0.000 1.166 397 G CA -0.630 44.679 45.100 0.348 0.000 0.771 397 G HN 0.640 nan 8.290 nan 0.000 0.701 398 K N 0.729 121.225 120.400 0.159 0.000 2.283 398 K HA -0.045 4.278 4.320 0.005 0.000 0.202 398 K C 2.117 178.749 176.600 0.054 0.000 1.048 398 K CA 1.488 57.829 56.287 0.090 0.000 0.948 398 K CB -0.022 32.510 32.500 0.053 0.000 0.742 398 K HN 0.511 nan 8.250 nan 0.000 0.458 399 D N 1.121 121.580 120.400 0.099 0.000 2.106 399 D HA -0.256 4.387 4.640 0.005 0.000 0.191 399 D C 1.777 178.071 176.300 -0.009 0.000 0.997 399 D CA 1.275 55.311 54.000 0.060 0.000 0.834 399 D CB -0.736 40.130 40.800 0.110 0.000 0.956 399 D HN 0.176 nan 8.370 nan 0.000 0.448 400 F N 2.518 122.377 119.950 -0.151 0.000 2.075 400 F HA -0.025 4.505 4.527 0.004 0.000 0.297 400 F C -0.875 174.684 175.800 -0.401 0.000 1.113 400 F CA 1.155 58.934 58.000 -0.368 0.000 1.218 400 F CB -1.361 37.140 39.000 -0.831 0.000 0.984 400 F HN -0.014 nan 8.300 nan 0.000 0.472 401 P HA -0.218 nan 4.420 nan 0.000 0.216 401 P C 1.145 178.179 177.300 -0.443 0.000 1.150 401 P CA 2.026 64.691 63.100 -0.724 0.000 0.837 401 P CB -0.227 31.165 31.700 -0.513 0.000 0.786 402 K N 0.443 120.674 120.400 -0.283 0.000 2.097 402 K HA -0.082 4.241 4.320 0.005 0.000 0.206 402 K C 2.418 178.892 176.600 -0.210 0.000 1.049 402 K CA 1.881 58.060 56.287 -0.179 0.000 0.933 402 K CB -0.475 31.967 32.500 -0.097 0.000 0.717 402 K HN 0.231 nan 8.250 nan 0.000 0.442 403 S N 0.809 116.339 115.700 -0.283 0.000 2.474 403 S HA -0.063 4.410 4.470 0.005 0.000 0.235 403 S C 1.316 175.741 174.600 -0.291 0.000 0.997 403 S CA 0.837 58.890 58.200 -0.246 0.000 0.949 403 S CB 0.060 63.130 63.200 -0.218 0.000 0.766 403 S HN 0.160 nan 8.310 nan 0.000 0.517 404 E N 0.983 120.934 120.200 -0.416 0.000 2.501 404 E HA 0.216 4.568 4.350 0.005 0.000 0.201 404 E C -0.322 176.160 176.600 -0.196 0.000 1.016 404 E CA -0.097 56.105 56.400 -0.331 0.000 0.920 404 E CB 0.093 29.505 29.700 -0.480 0.000 1.023 404 E HN 0.584 nan 8.360 nan 0.000 0.474 405 K N 0.531 120.830 120.400 -0.169 0.000 3.096 405 K HA -0.179 4.144 4.320 0.005 0.000 0.266 405 K C -0.396 176.156 176.600 -0.080 0.000 1.043 405 K CA 0.408 56.634 56.287 -0.102 0.000 0.758 405 K CB -1.601 30.856 32.500 -0.072 0.000 1.260 405 K HN 0.127 nan 8.250 nan 0.000 0.481 406 L N 0.001 121.166 121.223 -0.096 0.000 2.370 406 L HA 0.327 4.670 4.340 0.005 0.000 0.266 406 L C 0.593 177.457 176.870 -0.009 0.000 1.002 406 L CA -0.944 53.878 54.840 -0.031 0.000 0.818 406 L CB 1.964 44.033 42.059 0.017 0.000 1.325 406 L HN 0.090 nan 8.230 nan 0.000 0.418 407 S N 3.265 118.991 115.700 0.043 0.000 2.498 407 S HA 0.162 4.634 4.470 0.005 0.000 0.281 407 S C -1.330 173.338 174.600 0.113 0.000 1.265 407 S CA -1.029 57.212 58.200 0.068 0.000 1.071 407 S CB 0.702 63.958 63.200 0.093 0.000 0.894 407 S HN 0.432 nan 8.310 nan 0.000 0.491 408 P HA -0.131 nan 4.420 nan 0.000 0.215 408 P C 0.955 178.378 177.300 0.206 0.000 1.153 408 P CA 1.274 64.445 63.100 0.118 0.000 0.853 408 P CB 0.008 31.756 31.700 0.079 0.000 0.788 409 D N 0.057 120.577 120.400 0.200 0.000 2.117 409 D HA -0.120 4.523 4.640 0.005 0.000 0.197 409 D C 2.054 178.486 176.300 0.220 0.000 0.987 409 D CA 1.484 55.637 54.000 0.255 0.000 0.829 409 D CB -0.616 40.339 40.800 0.258 0.000 0.961 409 D HN 0.003 nan 8.370 nan 0.000 0.460 410 A N -0.587 122.366 122.820 0.223 0.000 1.930 410 A HA -0.089 4.234 4.320 0.005 0.000 0.217 410 A C 2.136 179.751 177.584 0.052 0.000 1.175 410 A CA 1.033 53.169 52.037 0.166 0.000 0.627 410 A CB -1.112 18.032 19.000 0.240 0.000 0.815 410 A HN 0.416 nan 8.150 nan 0.000 0.443 411 F N 0.679 120.627 119.950 -0.003 0.000 2.102 411 F HA -0.161 4.369 4.527 0.005 0.000 0.298 411 F C 1.972 177.764 175.800 -0.013 0.000 1.105 411 F CA 1.817 59.813 58.000 -0.006 0.000 1.239 411 F CB -0.225 38.805 39.000 0.050 0.000 0.991 411 F HN 0.179 nan 8.300 nan 0.000 0.474 412 I N -0.002 120.728 120.570 0.266 0.000 2.226 412 I HA -0.315 3.857 4.170 0.005 0.000 0.245 412 I C 2.440 178.499 176.117 -0.098 0.000 1.100 412 I CA 1.112 62.452 61.300 0.068 0.000 1.374 412 I CB -0.612 37.333 38.000 -0.092 0.000 1.057 412 I HN 0.222 nan 8.210 nan 0.000 0.413 413 Q N -0.083 119.647 119.800 -0.117 0.000 2.124 413 Q HA -0.178 4.164 4.340 0.005 0.000 0.202 413 Q C 2.252 178.141 176.000 -0.186 0.000 0.977 413 Q CA 1.383 57.073 55.803 -0.188 0.000 0.850 413 Q CB -0.207 28.259 28.738 -0.453 0.000 0.901 413 Q HN 0.479 nan 8.270 nan 0.000 0.429 414 M N -0.548 118.926 119.600 -0.211 0.000 2.319 414 M HA -0.016 4.467 4.480 0.005 0.000 0.265 414 M C 2.118 178.400 176.300 -0.030 0.000 1.068 414 M CA 0.981 56.208 55.300 -0.122 0.000 1.118 414 M CB -1.085 31.367 32.600 -0.247 0.000 1.395 414 M HN 0.103 nan 8.290 nan 0.000 0.435 415 A N 0.158 122.896 122.820 -0.136 0.000 1.930 415 A HA -0.130 4.193 4.320 0.005 0.000 0.217 415 A C 2.188 179.738 177.584 -0.057 0.000 1.175 415 A CA 1.168 53.144 52.037 -0.101 0.000 0.627 415 A CB -0.769 18.139 19.000 -0.152 0.000 0.815 415 A HN 0.406 nan 8.150 nan 0.000 0.443 416 L N -0.646 120.535 121.223 -0.070 0.000 2.093 416 L HA -0.132 4.211 4.340 0.005 0.000 0.208 416 L C 2.315 179.221 176.870 0.061 0.000 1.085 416 L CA 1.884 56.703 54.840 -0.035 0.000 0.755 416 L CB -0.581 41.458 42.059 -0.034 0.000 0.904 416 L HN 0.327 nan 8.230 nan 0.000 0.435 417 Q N -0.725 119.117 119.800 0.069 0.000 2.119 417 Q HA -0.171 4.172 4.340 0.005 0.000 0.201 417 Q C 2.245 178.348 176.000 0.173 0.000 0.972 417 Q CA 1.620 57.502 55.803 0.132 0.000 0.847 417 Q CB -0.612 28.196 28.738 0.116 0.000 0.903 417 Q HN 0.479 nan 8.270 nan 0.000 0.433 418 L N 0.692 121.985 121.223 0.116 0.000 2.027 418 L HA -0.063 4.280 4.340 0.005 0.000 0.206 418 L C 2.144 179.077 176.870 0.104 0.000 1.074 418 L CA 2.112 56.986 54.840 0.058 0.000 0.745 418 L CB -0.953 41.108 42.059 0.004 0.000 0.898 418 L HN 0.112 nan 8.230 nan 0.000 0.433 419 A N -1.348 121.523 122.820 0.085 0.000 1.883 419 A HA -0.313 4.010 4.320 0.005 0.000 0.217 419 A C 2.338 179.952 177.584 0.050 0.000 1.186 419 A CA 2.023 54.108 52.037 0.080 0.000 0.624 419 A CB -1.305 17.710 19.000 0.026 0.000 0.822 419 A HN 0.631 nan 8.150 nan 0.000 0.444 420 Y N -1.729 118.588 120.300 0.029 0.000 2.181 420 Y HA -0.256 4.297 4.550 0.004 0.000 0.288 420 Y C 2.280 178.264 175.900 0.140 0.000 1.146 420 Y CA 2.204 60.369 58.100 0.109 0.000 1.164 420 Y CB -0.462 38.091 38.460 0.155 0.000 0.982 420 Y HN 0.429 nan 8.280 nan 0.000 0.515 421 Y N 0.746 121.155 120.300 0.180 0.000 2.224 421 Y HA -0.195 4.358 4.550 0.004 0.000 0.289 421 Y C 2.450 178.320 175.900 -0.051 0.000 1.146 421 Y CA 1.726 59.880 58.100 0.089 0.000 1.182 421 Y CB -0.299 38.194 38.460 0.055 0.000 0.983 421 Y HN -0.000 nan 8.280 nan 0.000 0.524 422 R N -0.397 120.104 120.500 0.001 0.000 2.120 422 R HA -0.129 4.214 4.340 0.005 0.000 0.234 422 R C 2.115 178.224 176.300 -0.320 0.000 1.123 422 R CA 1.771 57.828 56.100 -0.072 0.000 0.975 422 R CB -0.262 30.106 30.300 0.112 0.000 0.866 422 R HN 0.409 nan 8.270 nan 0.000 0.446 423 I N -1.222 118.988 120.570 -0.599 0.000 2.339 423 I HA -0.183 3.990 4.170 0.005 0.000 0.245 423 I C 1.376 176.933 176.117 -0.934 0.000 1.096 423 I CA 1.113 61.831 61.300 -0.970 0.000 1.408 423 I CB 0.012 37.223 38.000 -1.314 0.000 1.092 423 I HN 0.094 nan 8.210 nan 0.000 0.423 424 Y N 0.123 120.110 120.300 -0.521 0.000 2.353 424 Y HA 0.286 4.839 4.550 0.004 0.000 0.294 424 Y C 1.946 177.610 175.900 -0.393 0.000 1.135 424 Y CA 0.639 58.469 58.100 -0.449 0.000 1.176 424 Y CB -0.350 37.767 38.460 -0.572 0.000 1.124 424 Y HN 0.199 nan 8.280 nan 0.000 0.537 425 G N 0.011 108.519 108.800 -0.487 0.000 2.168 425 G HA2 -0.135 3.828 3.960 0.005 0.000 0.197 425 G HA3 -0.135 3.828 3.960 0.005 0.000 0.197 425 G C -0.177 174.346 174.900 -0.628 0.000 0.997 425 G CA 0.053 44.742 45.100 -0.685 0.000 0.658 425 G HN 0.480 nan 8.290 nan 0.000 0.513 426 Q N -1.148 118.467 119.800 -0.308 0.000 2.575 426 Q HA 0.787 5.130 4.340 0.005 0.000 0.290 426 Q C -0.306 175.953 176.000 0.432 0.000 0.963 426 Q CA -0.538 55.365 55.803 0.168 0.000 0.783 426 Q CB 1.040 29.852 28.738 0.123 0.000 1.467 426 Q HN 1.336 nan 8.270 nan 0.000 0.402 427 A N 0.451 123.523 122.820 0.419 0.000 2.272 427 A HA 0.803 5.125 4.320 0.005 0.000 0.275 427 A C 0.128 177.830 177.584 0.197 0.000 1.096 427 A CA 0.091 52.322 52.037 0.324 0.000 0.822 427 A CB 0.487 19.613 19.000 0.210 0.000 1.088 427 A HN 1.141 nan 8.150 nan 0.000 0.495 428 C N -1.498 117.823 119.300 0.034 0.000 3.090 428 C HA 0.855 5.318 4.460 0.005 0.000 0.305 428 C C 0.414 175.455 174.990 0.084 0.000 1.292 428 C CA -0.505 58.526 59.018 0.022 0.000 1.482 428 C CB 0.652 28.260 27.740 -0.219 0.000 1.897 428 C HN 1.758 nan 8.230 nan 0.000 0.469 429 A N 2.113 125.045 122.820 0.186 0.000 2.548 429 A HA 0.516 4.839 4.320 0.005 0.000 0.247 429 A C 0.408 178.215 177.584 0.370 0.000 1.067 429 A CA 0.776 52.948 52.037 0.226 0.000 0.757 429 A CB -0.471 18.566 19.000 0.061 0.000 0.996 429 A HN 1.062 nan 8.150 nan 0.000 0.504 430 T N 2.358 117.156 114.554 0.406 0.000 2.886 430 T HA 0.496 4.849 4.350 0.005 0.000 0.292 430 T C -1.163 173.638 174.700 0.168 0.000 1.012 430 T CA -0.100 62.180 62.100 0.300 0.000 0.982 430 T CB 1.002 69.950 68.868 0.134 0.000 1.018 430 T HN 0.548 nan 8.240 nan 0.000 0.451 431 Y N 2.154 122.277 120.300 -0.295 0.000 2.393 431 Y HA 0.645 5.197 4.550 0.004 0.000 0.341 431 Y C -0.321 175.443 175.900 -0.227 0.000 0.988 431 Y CA -0.986 56.737 58.100 -0.628 0.000 1.078 431 Y CB 1.331 38.904 38.460 -1.477 0.000 1.203 431 Y HN 0.686 nan 8.280 nan 0.000 0.453 432 E N 4.054 123.786 120.200 -0.779 0.000 2.256 432 E HA 0.411 4.764 4.350 0.005 0.000 0.268 432 E C -1.316 174.753 176.600 -0.886 0.000 0.877 432 E CA -0.922 55.186 56.400 -0.487 0.000 0.757 432 E CB 1.330 30.979 29.700 -0.085 0.000 1.183 432 E HN 0.742 nan 8.360 nan 0.000 0.418 433 S N 2.455 117.826 115.700 -0.549 0.000 2.549 433 S HA 0.540 5.012 4.470 0.005 0.000 0.283 433 S C -0.003 174.476 174.600 -0.201 0.000 1.320 433 S CA -0.515 57.485 58.200 -0.334 0.000 1.058 433 S CB 1.345 64.563 63.200 0.030 0.000 0.882 433 S HN 0.563 nan 8.310 nan 0.000 0.498 434 A N 2.364 125.078 122.820 -0.177 0.000 2.342 434 A HA 0.697 5.020 4.320 0.005 0.000 0.323 434 A C 0.119 177.668 177.584 -0.057 0.000 1.125 434 A CA -0.752 51.223 52.037 -0.103 0.000 0.785 434 A CB 1.411 20.342 19.000 -0.114 0.000 1.221 434 A HN 0.964 nan 8.150 nan 0.000 0.463 435 S N 1.775 117.459 115.700 -0.026 0.000 2.489 435 S HA 0.431 4.904 4.470 0.005 0.000 0.277 435 S C 0.262 174.866 174.600 0.007 0.000 1.230 435 S CA -0.462 57.732 58.200 -0.010 0.000 1.053 435 S CB -0.033 63.164 63.200 -0.005 0.000 0.955 435 S HN 0.593 nan 8.310 nan 0.000 0.488 436 L N 5.636 126.869 121.223 0.017 0.000 2.791 436 L HA 0.329 4.671 4.340 0.005 0.000 0.239 436 L C 2.040 178.971 176.870 0.102 0.000 1.203 436 L CA -0.138 54.762 54.840 0.101 0.000 1.002 436 L CB -0.074 42.024 42.059 0.065 0.000 1.295 436 L HN 0.670 nan 8.230 nan 0.000 0.504 437 R N -0.104 120.407 120.500 0.017 0.000 2.341 437 R HA -0.052 4.291 4.340 0.005 0.000 0.213 437 R C 1.788 178.036 176.300 -0.087 0.000 1.082 437 R CA 0.865 56.959 56.100 -0.011 0.000 1.017 437 R CB -0.105 30.189 30.300 -0.010 0.000 0.860 437 R HN 0.479 nan 8.270 nan 0.000 0.473 438 M N -0.369 119.103 119.600 -0.214 0.000 2.557 438 M HA -0.029 4.453 4.480 0.005 0.000 0.259 438 M C -0.256 175.695 176.300 -0.583 0.000 1.086 438 M CA 1.083 56.115 55.300 -0.447 0.000 1.096 438 M CB 0.141 32.352 32.600 -0.649 0.000 1.424 438 M HN -0.112 nan 8.290 nan 0.000 0.488 439 F N -1.345 118.604 119.950 -0.001 0.000 2.458 439 F HA 0.289 4.818 4.527 0.005 0.000 0.330 439 F C 0.772 176.597 175.800 0.042 0.000 1.082 439 F CA -1.445 56.568 58.000 0.021 0.000 0.995 439 F CB 0.288 39.289 39.000 0.002 0.000 1.170 439 F HN -0.053 nan 8.300 nan 0.000 0.478 440 H N 4.146 123.308 119.070 0.155 0.000 3.157 440 H HA 0.029 4.588 4.556 0.004 0.000 0.299 440 H C 0.728 176.084 175.328 0.047 0.000 0.961 440 H CA 0.578 56.666 56.048 0.067 0.000 1.428 440 H CB 0.287 30.080 29.762 0.052 0.000 1.459 440 H HN 0.835 nan 8.280 nan 0.000 0.566 441 L N 3.024 124.077 121.223 -0.283 0.000 4.429 441 L HA -0.239 4.104 4.340 0.005 0.000 0.422 441 L C 1.014 177.816 176.870 -0.114 0.000 1.149 441 L CA 0.616 55.299 54.840 -0.263 0.000 0.972 441 L CB -1.792 40.017 42.059 -0.417 0.000 2.059 441 L HN 0.773 nan 8.230 nan 0.000 0.870 442 G N -0.248 108.532 108.800 -0.032 0.000 2.441 442 G HA2 0.375 4.338 3.960 0.005 0.000 0.243 442 G HA3 0.375 4.338 3.960 0.005 0.000 0.243 442 G C 0.749 175.632 174.900 -0.029 0.000 1.281 442 G CA -0.269 44.822 45.100 -0.015 0.000 0.854 442 G HN 0.121 nan 8.290 nan 0.000 0.560 443 R N 0.148 120.603 120.500 -0.075 0.000 1.889 443 R HA 0.367 4.710 4.340 0.005 0.000 0.134 443 R C 0.959 177.215 176.300 -0.074 0.000 2.065 443 R CA 0.983 57.062 56.100 -0.035 0.000 1.705 443 R CB -0.477 29.839 30.300 0.027 0.000 1.387 443 R HN 0.700 nan 8.270 nan 0.000 0.484 444 T N -1.368 113.059 114.554 -0.212 0.000 2.841 444 T HA 0.595 4.948 4.350 0.005 0.000 0.296 444 T C -1.018 173.488 174.700 -0.323 0.000 1.166 444 T CA -0.770 61.218 62.100 -0.187 0.000 1.007 444 T CB 2.893 71.731 68.868 -0.051 0.000 1.253 444 T HN 0.094 nan 8.240 nan 0.000 0.511 445 D N -1.046 119.229 120.400 -0.208 0.000 2.677 445 D HA 0.511 5.154 4.640 0.005 0.000 0.298 445 D C -1.165 175.027 176.300 -0.181 0.000 1.250 445 D CA -0.229 53.646 54.000 -0.208 0.000 0.888 445 D CB 2.445 43.153 40.800 -0.153 0.000 1.397 445 D HN 0.677 nan 8.370 nan 0.000 0.461 446 T N 0.962 115.401 114.554 -0.192 0.000 2.829 446 T HA 0.610 4.963 4.350 0.005 0.000 0.282 446 T C 0.070 174.568 174.700 -0.337 0.000 0.990 446 T CA -0.366 61.547 62.100 -0.312 0.000 1.028 446 T CB 0.638 69.431 68.868 -0.124 0.000 0.951 446 T HN 0.152 nan 8.240 nan 0.000 0.460 447 I N 3.079 123.396 120.570 -0.422 0.000 2.362 447 I HA 0.367 4.540 4.170 0.005 0.000 0.289 447 I C 0.601 176.592 176.117 -0.210 0.000 0.994 447 I CA -0.782 60.353 61.300 -0.275 0.000 1.158 447 I CB 1.224 39.092 38.000 -0.221 0.000 1.315 447 I HN 0.301 nan 8.210 nan 0.000 0.451 448 R N 4.673 125.090 120.500 -0.138 0.000 2.593 448 R HA 0.222 4.565 4.340 0.005 0.000 0.282 448 R C 0.563 176.868 176.300 0.009 0.000 1.300 448 R CA -0.171 55.902 56.100 -0.046 0.000 1.221 448 R CB 0.535 30.836 30.300 0.002 0.000 1.157 448 R HN 0.645 nan 8.270 nan 0.000 0.555 449 S N 1.193 116.971 115.700 0.130 0.000 2.453 449 S HA -0.059 4.414 4.470 0.005 0.000 0.231 449 S C 1.085 175.788 174.600 0.173 0.000 1.005 449 S CA 0.583 58.931 58.200 0.247 0.000 0.949 449 S CB 0.243 63.553 63.200 0.183 0.000 0.774 449 S HN 0.637 nan 8.310 nan 0.000 0.510 450 A N 2.257 125.152 122.820 0.125 0.000 2.309 450 A HA 0.616 4.939 4.320 0.005 0.000 0.290 450 A C 0.453 178.095 177.584 0.097 0.000 1.206 450 A CA -0.515 51.589 52.037 0.113 0.000 0.850 450 A CB 0.298 19.364 19.000 0.111 0.000 1.118 450 A HN 0.356 nan 8.150 nan 0.000 0.523 451 S N 2.480 118.248 115.700 0.113 0.000 2.732 451 S HA 0.579 5.051 4.470 0.005 0.000 0.293 451 S C 0.700 175.362 174.600 0.102 0.000 1.159 451 S CA -0.734 57.533 58.200 0.110 0.000 0.847 451 S CB 0.796 64.118 63.200 0.203 0.000 1.169 451 S HN 0.379 nan 8.310 nan 0.000 0.501 452 M N 1.300 120.957 119.600 0.095 0.000 2.229 452 M HA -0.006 4.477 4.480 0.005 0.000 0.264 452 M C 1.016 177.356 176.300 0.067 0.000 1.063 452 M CA 1.344 56.678 55.300 0.056 0.000 1.114 452 M CB -1.560 31.059 32.600 0.033 0.000 1.387 452 M HN 0.706 nan 8.290 nan 0.000 0.420 453 D N 0.052 120.516 120.400 0.107 0.000 2.117 453 D HA -0.083 4.560 4.640 0.005 0.000 0.198 453 D C 2.098 178.471 176.300 0.122 0.000 0.982 453 D CA 1.744 55.803 54.000 0.098 0.000 0.828 453 D CB -0.095 40.764 40.800 0.098 0.000 0.967 453 D HN 0.406 nan 8.370 nan 0.000 0.464 454 S N 0.629 116.414 115.700 0.143 0.000 2.383 454 S HA -0.124 4.349 4.470 0.005 0.000 0.227 454 S C 2.064 176.731 174.600 0.111 0.000 1.026 454 S CA 0.424 58.730 58.200 0.176 0.000 0.981 454 S CB -0.481 62.815 63.200 0.161 0.000 0.818 454 S HN 0.144 nan 8.310 nan 0.000 0.472 455 L N 2.351 123.595 121.223 0.036 0.000 2.046 455 L HA -0.003 4.340 4.340 0.005 0.000 0.208 455 L C 2.470 179.262 176.870 -0.131 0.000 1.077 455 L CA 2.291 57.083 54.840 -0.080 0.000 0.747 455 L CB -1.512 40.526 42.059 -0.035 0.000 0.896 455 L HN 0.342 nan 8.230 nan 0.000 0.432 456 T N -0.363 114.172 114.554 -0.032 0.000 2.788 456 T HA -0.209 4.143 4.350 0.005 0.000 0.268 456 T C 1.596 176.289 174.700 -0.013 0.000 1.044 456 T CA 1.736 63.819 62.100 -0.027 0.000 1.139 456 T CB -0.551 68.326 68.868 0.016 0.000 0.867 456 T HN 0.434 nan 8.240 nan 0.000 0.454 457 F N 3.020 122.910 119.950 -0.099 0.000 2.075 457 F HA -0.120 4.410 4.527 0.004 0.000 0.297 457 F C 2.330 178.053 175.800 -0.128 0.000 1.113 457 F CA 1.189 59.132 58.000 -0.096 0.000 1.218 457 F CB -0.941 38.011 39.000 -0.080 0.000 0.984 457 F HN 0.061 nan 8.300 nan 0.000 0.472 458 V N -1.146 118.382 119.914 -0.642 0.000 2.626 458 V HA -0.179 3.944 4.120 0.005 0.000 0.252 458 V C 2.146 177.871 176.094 -0.615 0.000 1.067 458 V CA 1.986 63.811 62.300 -0.792 0.000 1.081 458 V CB -1.128 30.337 31.823 -0.596 0.000 0.686 458 V HN 0.364 nan 8.190 nan 0.000 0.468 459 K N 0.828 120.912 120.400 -0.527 0.000 2.217 459 K HA 0.220 4.543 4.320 0.005 0.000 0.202 459 K C 2.192 178.695 176.600 -0.162 0.000 1.051 459 K CA 1.213 57.310 56.287 -0.316 0.000 0.952 459 K CB -0.173 32.191 32.500 -0.226 0.000 0.736 459 K HN 0.608 nan 8.250 nan 0.000 0.453 460 A N 0.493 123.206 122.820 -0.178 0.000 2.063 460 A HA -0.010 4.313 4.320 0.005 0.000 0.211 460 A C 1.915 179.433 177.584 -0.110 0.000 1.177 460 A CA 0.231 52.209 52.037 -0.097 0.000 0.759 460 A CB -0.126 18.848 19.000 -0.042 0.000 0.857 460 A HN 0.139 nan 8.150 nan 0.000 0.468 461 M N 0.696 120.156 119.600 -0.233 0.000 2.106 461 M HA -0.164 4.319 4.480 0.005 0.000 0.259 461 M C 0.058 176.300 176.300 -0.097 0.000 1.068 461 M CA 1.925 57.102 55.300 -0.206 0.000 1.100 461 M CB -0.296 32.038 32.600 -0.445 0.000 1.351 461 M HN 0.280 nan 8.290 nan 0.000 0.404 462 D N -0.146 120.205 120.400 -0.081 0.000 2.424 462 D HA 0.084 4.727 4.640 0.005 0.000 0.220 462 D C -0.383 175.909 176.300 -0.013 0.000 1.150 462 D CA 0.102 54.083 54.000 -0.031 0.000 0.831 462 D CB -0.293 40.499 40.800 -0.012 0.000 0.981 462 D HN 0.360 nan 8.370 nan 0.000 0.500 463 D N 0.953 121.342 120.400 -0.018 0.000 2.347 463 D HA 0.017 4.660 4.640 0.005 0.000 0.235 463 D C 1.235 177.535 176.300 0.001 0.000 1.149 463 D CA -0.119 53.878 54.000 -0.004 0.000 0.850 463 D CB 1.082 41.877 40.800 -0.008 0.000 1.061 463 D HN -0.103 nan 8.370 nan 0.000 0.487 464 S N 1.480 117.183 115.700 0.005 0.000 2.603 464 S HA -0.133 4.340 4.470 0.005 0.000 0.229 464 S C 1.524 176.131 174.600 0.012 0.000 0.972 464 S CA 0.572 58.777 58.200 0.009 0.000 0.935 464 S CB -0.216 62.989 63.200 0.008 0.000 0.769 464 S HN 0.370 nan 8.310 nan 0.000 0.536 465 S N 0.027 115.734 115.700 0.011 0.000 2.556 465 S HA 0.304 4.777 4.470 0.005 0.000 0.216 465 S C 0.293 174.903 174.600 0.017 0.000 0.970 465 S CA -0.480 57.728 58.200 0.013 0.000 0.912 465 S CB -0.169 63.038 63.200 0.011 0.000 0.790 465 S HN 0.262 nan 8.310 nan 0.000 0.504 466 V N 3.512 123.437 119.914 0.017 0.000 2.472 466 V HA 0.455 4.578 4.120 0.005 0.000 0.290 466 V C 0.806 176.920 176.094 0.033 0.000 1.037 466 V CA -0.594 61.720 62.300 0.023 0.000 0.908 466 V CB 1.303 33.135 31.823 0.015 0.000 0.985 466 V HN 0.597 nan 8.190 nan 0.000 0.454 467 T N 1.141 115.724 114.554 0.048 0.000 2.900 467 T HA 0.144 4.496 4.350 0.005 0.000 0.307 467 T C 0.996 175.739 174.700 0.072 0.000 1.065 467 T CA -0.406 61.734 62.100 0.067 0.000 1.105 467 T CB 0.904 69.831 68.868 0.098 0.000 0.979 467 T HN 0.643 nan 8.240 nan 0.000 0.544 468 E N 0.625 120.873 120.200 0.079 0.000 2.110 468 E HA -0.183 4.169 4.350 0.005 0.000 0.193 468 E C 1.777 178.432 176.600 0.092 0.000 0.988 468 E CA 1.661 58.108 56.400 0.078 0.000 0.804 468 E CB -0.596 29.150 29.700 0.077 0.000 0.745 468 E HN 0.976 nan 8.360 nan 0.000 0.458 469 H N 1.088 120.178 119.070 0.034 0.000 2.319 469 H HA -0.090 4.468 4.556 0.004 0.000 0.299 469 H C 2.161 177.510 175.328 0.035 0.000 1.092 469 H CA 2.329 58.396 56.048 0.032 0.000 1.302 469 H CB -0.019 29.757 29.762 0.024 0.000 1.373 469 H HN 0.115 nan 8.280 nan 0.000 0.497 470 Q N 0.152 119.902 119.800 -0.084 0.000 2.167 470 Q HA -0.116 4.227 4.340 0.005 0.000 0.202 470 Q C 1.990 177.950 176.000 -0.068 0.000 0.970 470 Q CA 1.250 56.979 55.803 -0.123 0.000 0.855 470 Q CB 0.114 28.850 28.738 -0.003 0.000 0.911 470 Q HN 0.476 nan 8.270 nan 0.000 0.438 471 K N -0.516 119.882 120.400 -0.004 0.000 2.057 471 K HA -0.113 4.210 4.320 0.005 0.000 0.207 471 K C 2.017 178.652 176.600 0.058 0.000 1.049 471 K CA 1.406 57.729 56.287 0.060 0.000 0.931 471 K CB 0.011 32.556 32.500 0.075 0.000 0.714 471 K HN 0.073 nan 8.250 nan 0.000 0.440 472 V N 1.645 121.556 119.914 -0.006 0.000 2.343 472 V HA -0.247 3.875 4.120 0.005 0.000 0.247 472 V C 2.310 178.354 176.094 -0.083 0.000 1.051 472 V CA 1.809 64.094 62.300 -0.024 0.000 1.036 472 V CB -0.373 31.439 31.823 -0.019 0.000 0.654 472 V HN 0.392 nan 8.190 nan 0.000 0.451 473 E N -0.009 120.095 120.200 -0.160 0.000 2.077 473 E HA -0.213 4.140 4.350 0.005 0.000 0.193 473 E C 2.227 178.774 176.600 -0.088 0.000 0.989 473 E CA 1.352 57.661 56.400 -0.151 0.000 0.800 473 E CB -0.113 29.452 29.700 -0.225 0.000 0.746 473 E HN 0.562 nan 8.360 nan 0.000 0.452 474 L N 0.803 122.001 121.223 -0.042 0.000 2.093 474 L HA -0.151 4.192 4.340 0.005 0.000 0.208 474 L C 2.660 179.483 176.870 -0.078 0.000 1.085 474 L CA 0.549 55.397 54.840 0.014 0.000 0.755 474 L CB -0.316 41.815 42.059 0.120 0.000 0.904 474 L HN 0.302 nan 8.230 nan 0.000 0.435 475 L N -0.181 120.943 121.223 -0.166 0.000 2.005 475 L HA -0.213 4.130 4.340 0.005 0.000 0.207 475 L C 2.919 179.528 176.870 -0.434 0.000 1.072 475 L CA 1.419 55.871 54.840 -0.647 0.000 0.744 475 L CB -0.175 41.641 42.059 -0.405 0.000 0.895 475 L HN 0.161 nan 8.230 nan 0.000 0.433 476 R N -0.224 120.147 120.500 -0.214 0.000 2.096 476 R HA -0.217 4.126 4.340 0.005 0.000 0.235 476 R C 2.336 178.562 176.300 -0.123 0.000 1.127 476 R CA 1.626 57.644 56.100 -0.138 0.000 0.968 476 R CB -0.285 29.967 30.300 -0.080 0.000 0.861 476 R HN 0.368 nan 8.270 nan 0.000 0.440 477 K N 0.672 121.003 120.400 -0.115 0.000 2.097 477 K HA -0.088 4.235 4.320 0.005 0.000 0.205 477 K C 2.043 178.596 176.600 -0.079 0.000 1.050 477 K CA 1.270 57.510 56.287 -0.078 0.000 0.938 477 K CB -0.028 32.443 32.500 -0.050 0.000 0.718 477 K HN 0.149 nan 8.250 nan 0.000 0.442 478 A N 0.487 123.230 122.820 -0.127 0.000 1.898 478 A HA -0.079 4.244 4.320 0.005 0.000 0.216 478 A C 2.197 179.738 177.584 -0.072 0.000 1.181 478 A CA 1.392 53.373 52.037 -0.092 0.000 0.620 478 A CB -0.533 18.358 19.000 -0.181 0.000 0.819 478 A HN 0.154 nan 8.150 nan 0.000 0.442 479 V N 0.095 119.919 119.914 -0.150 0.000 2.295 479 V HA -0.312 3.811 4.120 0.005 0.000 0.246 479 V C 2.630 178.731 176.094 0.011 0.000 1.049 479 V CA 2.264 64.525 62.300 -0.064 0.000 1.024 479 V CB -0.944 30.830 31.823 -0.081 0.000 0.648 479 V HN 0.642 nan 8.190 nan 0.000 0.447 480 Q N -0.245 119.535 119.800 -0.033 0.000 2.167 480 Q HA -0.124 4.219 4.340 0.005 0.000 0.202 480 Q C 2.382 178.334 176.000 -0.079 0.000 0.970 480 Q CA 1.591 57.370 55.803 -0.040 0.000 0.855 480 Q CB -0.372 28.334 28.738 -0.052 0.000 0.911 480 Q HN 0.679 nan 8.270 nan 0.000 0.438 481 A N 0.322 123.085 122.820 -0.094 0.000 1.930 481 A HA -0.223 4.099 4.320 0.005 0.000 0.217 481 A C 1.740 179.145 177.584 -0.299 0.000 1.175 481 A CA 1.710 53.603 52.037 -0.240 0.000 0.627 481 A CB -0.639 18.281 19.000 -0.134 0.000 0.815 481 A HN 0.420 nan 8.150 nan 0.000 0.443 482 H N -0.216 118.821 119.070 -0.054 0.000 2.389 482 H HA -0.084 4.475 4.556 0.004 0.000 0.299 482 H C 2.183 177.539 175.328 0.047 0.000 1.081 482 H CA 1.910 58.029 56.048 0.118 0.000 1.345 482 H CB -0.052 29.777 29.762 0.113 0.000 1.393 482 H HN 0.465 nan 8.280 nan 0.000 0.520 483 R N -0.058 120.467 120.500 0.042 0.000 2.092 483 R HA -0.034 4.309 4.340 0.005 0.000 0.231 483 R C 2.488 178.735 176.300 -0.089 0.000 1.119 483 R CA 1.485 57.585 56.100 0.001 0.000 0.970 483 R CB -0.741 29.576 30.300 0.028 0.000 0.864 483 R HN 0.400 nan 8.270 nan 0.000 0.440 484 G N -0.255 108.440 108.800 -0.174 0.000 2.446 484 G HA2 -0.279 3.683 3.960 0.005 0.000 0.217 484 G HA3 -0.279 3.683 3.960 0.005 0.000 0.217 484 G C 0.838 175.626 174.900 -0.186 0.000 1.168 484 G CA 0.926 45.896 45.100 -0.216 0.000 0.771 484 G HN 0.364 nan 8.290 nan 0.000 0.551 485 Y N 1.341 121.567 120.300 -0.124 0.000 2.224 485 Y HA -0.062 4.490 4.550 0.004 0.000 0.289 485 Y C 3.269 179.067 175.900 -0.171 0.000 1.146 485 Y CA 1.282 59.289 58.100 -0.154 0.000 1.182 485 Y CB -1.049 37.293 38.460 -0.196 0.000 0.983 485 Y HN 0.116 nan 8.280 nan 0.000 0.524 486 T N -0.210 114.297 114.554 -0.078 0.000 2.674 486 T HA -0.169 4.184 4.350 0.005 0.000 0.265 486 T C 1.412 176.099 174.700 -0.023 0.000 1.039 486 T CA 1.715 63.764 62.100 -0.085 0.000 1.150 486 T CB -0.401 68.415 68.868 -0.087 0.000 0.864 486 T HN 0.285 nan 8.240 nan 0.000 0.427 487 D N 0.784 121.175 120.400 -0.014 0.000 2.144 487 D HA -0.035 4.608 4.640 0.005 0.000 0.199 487 D C 2.375 178.694 176.300 0.033 0.000 0.984 487 D CA 0.892 54.896 54.000 0.008 0.000 0.834 487 D CB -0.206 40.595 40.800 0.001 0.000 0.955 487 D HN 0.310 nan 8.370 nan 0.000 0.465 488 R N 0.430 120.954 120.500 0.039 0.000 2.090 488 R HA 0.055 4.397 4.340 0.005 0.000 0.228 488 R C 2.254 178.607 176.300 0.089 0.000 1.110 488 R CA 0.943 57.090 56.100 0.077 0.000 0.973 488 R CB -0.130 30.225 30.300 0.090 0.000 0.869 488 R HN 0.081 nan 8.270 nan 0.000 0.440 489 A N 1.345 124.198 122.820 0.055 0.000 1.902 489 A HA -0.131 4.192 4.320 0.005 0.000 0.217 489 A C 2.085 179.703 177.584 0.057 0.000 1.181 489 A CA 1.170 53.226 52.037 0.032 0.000 0.623 489 A CB -0.452 18.528 19.000 -0.034 0.000 0.818 489 A HN 0.178 nan 8.150 nan 0.000 0.443 490 I N -1.039 119.562 120.570 0.053 0.000 2.493 490 I HA -0.189 3.984 4.170 0.005 0.000 0.254 490 I C 2.062 178.273 176.117 0.157 0.000 1.160 490 I CA 0.989 62.331 61.300 0.071 0.000 1.445 490 I CB -0.210 37.807 38.000 0.028 0.000 1.086 490 I HN 0.246 nan 8.210 nan 0.000 0.433 491 R N 0.813 121.419 120.500 0.177 0.000 2.335 491 R HA 0.169 4.512 4.340 0.005 0.000 0.223 491 R C 1.127 177.681 176.300 0.423 0.000 0.940 491 R CA 0.515 56.785 56.100 0.283 0.000 1.086 491 R CB 0.185 30.591 30.300 0.176 0.000 1.073 491 R HN 0.406 nan 8.270 nan 0.000 0.504 492 G N 1.486 110.472 108.800 0.310 0.000 2.176 492 G HA2 -0.298 3.664 3.960 0.005 0.000 0.252 492 G HA3 -0.298 3.664 3.960 0.005 0.000 0.252 492 G C 0.249 175.191 174.900 0.070 0.000 1.024 492 G CA 0.207 45.353 45.100 0.076 0.000 0.755 492 G HN 0.487 nan 8.290 nan 0.000 0.507 493 E N -0.386 119.891 120.200 0.128 0.000 2.501 493 E HA 0.523 4.876 4.350 0.005 0.000 0.200 493 E C 1.613 178.346 176.600 0.223 0.000 1.016 493 E CA 0.209 56.708 56.400 0.166 0.000 0.921 493 E CB 0.563 30.368 29.700 0.176 0.000 1.034 493 E HN 0.722 nan 8.360 nan 0.000 0.468 494 A N 0.468 123.385 122.820 0.162 0.000 2.251 494 A HA 0.327 4.649 4.320 0.005 0.000 0.278 494 A C 0.500 178.252 177.584 0.279 0.000 1.206 494 A CA -0.149 51.977 52.037 0.149 0.000 0.822 494 A CB 0.058 19.044 19.000 -0.024 0.000 1.187 494 A HN 0.347 nan 8.150 nan 0.000 0.504 495 F N -3.102 116.987 119.950 0.231 0.000 2.789 495 F HA 0.269 4.799 4.527 0.006 0.000 0.320 495 F C 1.006 176.956 175.800 0.249 0.000 1.079 495 F CA 0.269 58.437 58.000 0.280 0.000 1.205 495 F CB -0.001 39.176 39.000 0.295 0.000 1.046 495 F HN 0.439 nan 8.300 nan 0.000 0.586 496 D N 1.539 121.743 120.400 -0.326 0.000 2.104 496 D HA -0.123 4.520 4.640 0.005 0.000 0.194 496 D C 1.874 178.253 176.300 0.132 0.000 0.994 496 D CA 1.188 55.147 54.000 -0.069 0.000 0.830 496 D CB 0.019 40.720 40.800 -0.165 0.000 0.959 496 D HN 0.158 nan 8.370 nan 0.000 0.452 497 R N 0.205 120.758 120.500 0.088 0.000 2.096 497 R HA -0.088 4.254 4.340 0.005 0.000 0.235 497 R C 2.130 178.675 176.300 0.407 0.000 1.127 497 R CA 0.690 56.867 56.100 0.128 0.000 0.968 497 R CB -1.345 28.929 30.300 -0.044 0.000 0.861 497 R HN 0.576 nan 8.270 nan 0.000 0.440 498 H N 0.456 119.718 119.070 0.320 0.000 2.321 498 H HA -0.004 4.555 4.556 0.004 0.000 0.300 498 H C 1.966 177.455 175.328 0.268 0.000 1.087 498 H CA 1.285 57.534 56.048 0.335 0.000 1.319 498 H CB 0.157 30.077 29.762 0.263 0.000 1.379 498 H HN 0.051 nan 8.280 nan 0.000 0.501 499 L N 0.347 121.735 121.223 0.275 0.000 2.083 499 L HA -0.177 4.166 4.340 0.005 0.000 0.209 499 L C 2.692 179.596 176.870 0.057 0.000 1.083 499 L CA 0.508 55.454 54.840 0.177 0.000 0.752 499 L CB -0.354 41.861 42.059 0.260 0.000 0.899 499 L HN 0.338 nan 8.230 nan 0.000 0.433 500 L N 0.475 121.764 121.223 0.109 0.000 2.046 500 L HA -0.054 4.289 4.340 0.005 0.000 0.208 500 L C 2.346 179.207 176.870 -0.015 0.000 1.077 500 L CA 2.121 56.954 54.840 -0.011 0.000 0.747 500 L CB -1.117 41.012 42.059 0.117 0.000 0.896 500 L HN 0.100 nan 8.230 nan 0.000 0.432 501 G N -0.247 108.713 108.800 0.268 0.000 2.440 501 G HA2 -0.243 3.720 3.960 0.005 0.000 0.218 501 G HA3 -0.243 3.720 3.960 0.005 0.000 0.218 501 G C 1.601 176.569 174.900 0.113 0.000 1.154 501 G CA 1.131 46.464 45.100 0.389 0.000 0.767 501 G HN 0.455 nan 8.290 nan 0.000 0.552 502 L N 0.073 121.362 121.223 0.109 0.000 2.083 502 L HA -0.057 4.286 4.340 0.005 0.000 0.209 502 L C 2.797 179.679 176.870 0.020 0.000 1.083 502 L CA 1.566 56.484 54.840 0.130 0.000 0.752 502 L CB -0.334 41.885 42.059 0.266 0.000 0.899 502 L HN 0.228 nan 8.230 nan 0.000 0.433 503 K N 0.682 120.910 120.400 -0.286 0.000 2.057 503 K HA -0.151 4.172 4.320 0.005 0.000 0.206 503 K C 2.124 178.506 176.600 -0.363 0.000 1.050 503 K CA 1.214 57.177 56.287 -0.541 0.000 0.935 503 K CB -0.024 31.819 32.500 -1.095 0.000 0.715 503 K HN 0.235 nan 8.250 nan 0.000 0.439 504 L N 0.586 121.528 121.223 -0.468 0.000 2.156 504 L HA -0.136 4.206 4.340 0.005 0.000 0.208 504 L C 2.635 179.220 176.870 -0.475 0.000 1.095 504 L CA 0.827 55.251 54.840 -0.694 0.000 0.770 504 L CB -0.365 40.814 42.059 -1.468 0.000 0.914 504 L HN 0.284 nan 8.230 nan 0.000 0.439 505 Q N 0.655 120.322 119.800 -0.223 0.000 2.119 505 Q HA -0.135 4.208 4.340 0.005 0.000 0.201 505 Q C 2.193 178.230 176.000 0.061 0.000 0.972 505 Q CA 1.886 57.754 55.803 0.108 0.000 0.847 505 Q CB -0.171 28.683 28.738 0.193 0.000 0.903 505 Q HN 0.411 nan 8.270 nan 0.000 0.433 506 A N 0.183 123.011 122.820 0.014 0.000 1.902 506 A HA -0.131 4.192 4.320 0.005 0.000 0.217 506 A C 2.111 179.701 177.584 0.009 0.000 1.181 506 A CA 1.430 53.488 52.037 0.034 0.000 0.623 506 A CB -0.702 18.332 19.000 0.056 0.000 0.818 506 A HN 0.475 nan 8.150 nan 0.000 0.443 507 I N -0.687 119.858 120.570 -0.040 0.000 2.179 507 I HA -0.266 3.907 4.170 0.005 0.000 0.242 507 I C 2.561 178.687 176.117 0.016 0.000 1.088 507 I CA 1.880 63.159 61.300 -0.035 0.000 1.357 507 I CB -0.344 37.600 38.000 -0.093 0.000 1.051 507 I HN 0.521 nan 8.210 nan 0.000 0.409 508 E N 0.948 121.182 120.200 0.056 0.000 2.204 508 E HA -0.255 4.098 4.350 0.005 0.000 0.195 508 E C 0.981 177.633 176.600 0.087 0.000 0.990 508 E CA 1.346 57.816 56.400 0.117 0.000 0.821 508 E CB 0.091 29.933 29.700 0.237 0.000 0.750 508 E HN 0.415 nan 8.360 nan 0.000 0.477 509 D N -0.474 119.968 120.400 0.071 0.000 2.340 509 D HA 0.114 4.756 4.640 0.005 0.000 0.220 509 D C 0.287 176.610 176.300 0.037 0.000 1.039 509 D CA 0.176 54.208 54.000 0.054 0.000 0.866 509 D CB 0.273 41.104 40.800 0.052 0.000 0.913 509 D HN 0.175 nan 8.370 nan 0.000 0.523 510 L N -1.147 120.096 121.223 0.033 0.000 4.232 510 L HA -0.201 4.142 4.340 0.005 0.000 0.415 510 L C -0.030 176.851 176.870 0.019 0.000 1.168 510 L CA -0.115 54.739 54.840 0.023 0.000 0.966 510 L CB -2.338 39.734 42.059 0.021 0.000 2.052 510 L HN 0.031 nan 8.230 nan 0.000 0.887 511 V N -2.337 117.591 119.914 0.023 0.000 2.612 511 V HA 0.767 4.889 4.120 0.005 0.000 0.301 511 V C 0.991 177.100 176.094 0.024 0.000 1.046 511 V CA -0.117 62.198 62.300 0.025 0.000 0.946 511 V CB 1.736 33.580 31.823 0.035 0.000 1.003 511 V HN 0.331 nan 8.190 nan 0.000 0.459 512 S N 2.640 118.353 115.700 0.023 0.000 2.576 512 S HA 0.139 4.612 4.470 0.005 0.000 0.272 512 S C 0.425 175.045 174.600 0.033 0.000 1.352 512 S CA -0.051 58.161 58.200 0.020 0.000 1.021 512 S CB -0.021 63.188 63.200 0.016 0.000 0.887 512 S HN 1.052 nan 8.310 nan 0.000 0.542 513 T N 4.804 119.376 114.554 0.029 0.000 2.822 513 T HA 0.176 4.528 4.350 0.005 0.000 0.288 513 T C -2.027 172.712 174.700 0.064 0.000 0.991 513 T CA -0.415 61.717 62.100 0.054 0.000 1.176 513 T CB -0.482 68.410 68.868 0.040 0.000 0.951 513 T HN 0.586 nan 8.240 nan 0.000 0.526 514 P HA 0.067 nan 4.420 nan 0.000 0.266 514 P C 0.657 177.861 177.300 -0.160 0.000 1.195 514 P CA -0.272 62.818 63.100 -0.017 0.000 0.768 514 P CB 0.741 32.410 31.700 -0.051 0.000 0.838 515 D N 1.975 122.278 120.400 -0.162 0.000 2.190 515 D HA -0.163 4.479 4.640 0.005 0.000 0.200 515 D C 1.766 177.883 176.300 -0.305 0.000 0.992 515 D CA 1.356 55.254 54.000 -0.171 0.000 0.854 515 D CB -0.189 40.538 40.800 -0.122 0.000 0.936 515 D HN 0.533 nan 8.370 nan 0.000 0.462 516 I N -2.399 117.810 120.570 -0.602 0.000 2.530 516 I HA -0.212 3.961 4.170 0.005 0.000 0.257 516 I C 1.589 177.244 176.117 -0.771 0.000 1.179 516 I CA 1.210 62.049 61.300 -0.768 0.000 1.440 516 I CB -0.531 36.734 38.000 -1.224 0.000 1.087 516 I HN -0.223 nan 8.210 nan 0.000 0.440 517 F N 0.892 120.558 119.950 -0.475 0.000 2.754 517 F HA 0.292 4.822 4.527 0.006 0.000 0.297 517 F C 2.060 177.801 175.800 -0.098 0.000 1.122 517 F CA 0.513 58.227 58.000 -0.476 0.000 1.400 517 F CB -0.392 38.320 39.000 -0.480 0.000 1.117 517 F HN 0.012 nan 8.300 nan 0.000 0.587 518 M N -0.829 118.800 119.600 0.048 0.000 2.371 518 M HA 0.091 4.573 4.480 0.005 0.000 0.246 518 M C -0.020 176.324 176.300 0.075 0.000 1.103 518 M CA -0.041 55.303 55.300 0.074 0.000 1.010 518 M CB -0.110 32.511 32.600 0.036 0.000 1.457 518 M HN -0.160 nan 8.290 nan 0.000 0.486 519 D N 0.746 121.185 120.400 0.064 0.000 2.414 519 D HA 0.019 4.662 4.640 0.005 0.000 0.242 519 D C 0.891 177.270 176.300 0.132 0.000 1.129 519 D CA 0.630 54.685 54.000 0.091 0.000 0.885 519 D CB 1.263 42.087 40.800 0.040 0.000 1.198 519 D HN -0.034 nan 8.370 nan 0.000 0.437 520 T N 1.871 116.488 114.554 0.106 0.000 2.737 520 T HA -0.157 4.196 4.350 0.005 0.000 0.269 520 T C 1.903 176.659 174.700 0.093 0.000 1.040 520 T CA 1.624 63.771 62.100 0.078 0.000 1.142 520 T CB -0.158 68.739 68.868 0.048 0.000 0.861 520 T HN 0.382 nan 8.240 nan 0.000 0.456 521 S N 0.086 115.857 115.700 0.118 0.000 2.382 521 S HA -0.096 4.377 4.470 0.005 0.000 0.228 521 S C 1.687 176.411 174.600 0.206 0.000 1.027 521 S CA 0.871 59.145 58.200 0.123 0.000 0.991 521 S CB -0.419 62.826 63.200 0.074 0.000 0.823 521 S HN 0.577 nan 8.310 nan 0.000 0.469 522 Y N 2.208 122.592 120.300 0.141 0.000 2.242 522 Y HA -0.007 4.545 4.550 0.004 0.000 0.291 522 Y C 2.384 178.340 175.900 0.093 0.000 1.137 522 Y CA 0.595 58.803 58.100 0.181 0.000 1.181 522 Y CB -0.836 37.708 38.460 0.140 0.000 0.989 522 Y HN 0.212 nan 8.280 nan 0.000 0.527 523 A N 0.282 123.136 122.820 0.057 0.000 1.902 523 A HA -0.183 4.140 4.320 0.005 0.000 0.217 523 A C 2.309 179.832 177.584 -0.101 0.000 1.181 523 A CA 2.032 54.040 52.037 -0.047 0.000 0.623 523 A CB -1.087 17.918 19.000 0.009 0.000 0.818 523 A HN 0.527 nan 8.150 nan 0.000 0.443 524 I N -0.388 120.151 120.570 -0.052 0.000 2.252 524 I HA -0.247 3.925 4.170 0.005 0.000 0.245 524 I C 2.948 179.003 176.117 -0.104 0.000 1.102 524 I CA 1.000 62.267 61.300 -0.055 0.000 1.385 524 I CB -0.382 37.622 38.000 0.006 0.000 1.064 524 I HN 0.355 nan 8.210 nan 0.000 0.414 525 A N 0.609 123.374 122.820 -0.092 0.000 1.972 525 A HA -0.158 4.165 4.320 0.005 0.000 0.219 525 A C 2.125 179.425 177.584 -0.474 0.000 1.169 525 A CA 1.418 53.389 52.037 -0.110 0.000 0.635 525 A CB -0.292 18.795 19.000 0.144 0.000 0.810 525 A HN 0.317 nan 8.150 nan 0.000 0.446 526 M N -0.491 118.756 119.600 -0.588 0.000 2.495 526 M HA 0.104 4.587 4.480 0.005 0.000 0.237 526 M C 0.482 176.309 176.300 -0.788 0.000 1.131 526 M CA 0.388 55.214 55.300 -0.789 0.000 1.032 526 M CB -0.793 31.433 32.600 -0.624 0.000 1.513 526 M HN 0.433 nan 8.290 nan 0.000 0.488 527 H N 0.591 119.240 119.070 -0.701 0.000 2.702 527 H HA 0.229 4.788 4.556 0.005 0.000 0.252 527 H C -1.211 173.785 175.328 -0.553 0.000 1.493 527 H CA -0.534 55.206 56.048 -0.514 0.000 1.273 527 H CB -0.122 29.421 29.762 -0.366 0.000 1.537 527 H HN -0.056 nan 8.280 nan 0.000 0.547 528 F N 4.376 124.191 119.950 -0.224 0.000 2.494 528 F HA 0.059 4.588 4.527 0.004 0.000 0.351 528 F C 1.715 177.448 175.800 -0.111 0.000 1.205 528 F CA -0.255 57.681 58.000 -0.107 0.000 1.125 528 F CB 0.240 39.217 39.000 -0.039 0.000 1.268 528 F HN 0.576 nan 8.300 nan 0.000 0.593 529 H N 2.890 122.094 119.070 0.223 0.000 2.491 529 H HA 0.091 4.649 4.556 0.004 0.000 0.290 529 H C 0.446 175.910 175.328 0.228 0.000 1.050 529 H CA 0.977 57.135 56.048 0.184 0.000 1.309 529 H CB 0.354 30.186 29.762 0.117 0.000 1.392 529 H HN 0.314 nan 8.280 nan 0.000 0.554 530 L N 0.776 122.182 121.223 0.304 0.000 2.372 530 L HA 0.244 4.587 4.340 0.005 0.000 0.273 530 L C -0.262 176.773 176.870 0.274 0.000 0.989 530 L CA -0.352 54.651 54.840 0.272 0.000 0.841 530 L CB 2.206 44.342 42.059 0.128 0.000 1.225 530 L HN -0.148 nan 8.230 nan 0.000 0.414 531 S N 1.931 117.813 115.700 0.304 0.000 2.474 531 S HA 0.716 5.189 4.470 0.005 0.000 0.321 531 S C -0.228 174.643 174.600 0.452 0.000 1.080 531 S CA -0.396 57.978 58.200 0.289 0.000 1.106 531 S CB 0.993 64.288 63.200 0.158 0.000 0.984 531 S HN 0.672 nan 8.310 nan 0.000 0.464 532 T N 1.035 115.852 114.554 0.438 0.000 2.916 532 T HA 0.826 5.178 4.350 0.005 0.000 0.292 532 T C -0.599 174.331 174.700 0.383 0.000 1.064 532 T CA -0.812 61.564 62.100 0.459 0.000 1.011 532 T CB 1.774 70.866 68.868 0.375 0.000 1.152 532 T HN 0.511 nan 8.240 nan 0.000 0.510 533 S N 0.268 116.163 115.700 0.326 0.000 2.563 533 S HA 0.347 4.820 4.470 0.005 0.000 0.279 533 S C -1.666 172.773 174.600 -0.269 0.000 1.155 533 S CA -0.685 57.580 58.200 0.108 0.000 0.928 533 S CB 1.702 65.034 63.200 0.221 0.000 1.107 533 S HN 1.008 nan 8.310 nan 0.000 0.462 534 Q N 3.600 123.166 119.800 -0.389 0.000 2.303 534 Q HA 0.620 4.963 4.340 0.005 0.000 0.257 534 Q C -1.464 174.365 176.000 -0.284 0.000 0.941 534 Q CA -0.491 54.901 55.803 -0.684 0.000 0.931 534 Q CB 1.106 29.629 28.738 -0.359 0.000 1.215 534 Q HN 0.540 nan 8.270 nan 0.000 0.437 535 V N 7.220 126.984 119.914 -0.250 0.000 2.320 535 V HA 0.324 4.447 4.120 0.005 0.000 0.268 535 V C -2.354 173.692 176.094 -0.079 0.000 1.021 535 V CA -1.600 60.637 62.300 -0.105 0.000 0.813 535 V CB 0.997 32.787 31.823 -0.054 0.000 1.054 535 V HN 0.794 nan 8.190 nan 0.000 0.444 536 P HA 0.578 nan 4.420 nan 0.000 0.275 536 P C -0.497 176.801 177.300 -0.003 0.000 1.227 536 P CA 0.119 63.206 63.100 -0.021 0.000 0.781 536 P CB 1.250 32.949 31.700 -0.001 0.000 0.906 537 A N 2.389 125.213 122.820 0.006 0.000 2.572 537 A HA 0.385 4.707 4.320 0.005 0.000 0.295 537 A C 0.600 178.203 177.584 0.032 0.000 1.072 537 A CA -0.624 51.427 52.037 0.024 0.000 0.691 537 A CB 1.284 20.299 19.000 0.024 0.000 1.291 537 A HN 0.385 nan 8.150 nan 0.000 0.404 538 K N 0.090 120.517 120.400 0.045 0.000 2.167 538 K HA 0.028 4.351 4.320 0.005 0.000 0.203 538 K C 0.251 176.886 176.600 0.058 0.000 1.052 538 K CA 1.207 57.523 56.287 0.048 0.000 0.956 538 K CB -0.070 32.461 32.500 0.051 0.000 0.735 538 K HN 0.716 nan 8.250 nan 0.000 0.451 539 T N 1.724 116.318 114.554 0.067 0.000 2.907 539 T HA -0.016 4.337 4.350 0.005 0.000 0.298 539 T C -0.013 174.740 174.700 0.089 0.000 1.017 539 T CA -0.180 61.970 62.100 0.083 0.000 1.118 539 T CB 0.979 69.904 68.868 0.095 0.000 0.948 539 T HN 0.032 nan 8.240 nan 0.000 0.531 540 D N 2.182 122.648 120.400 0.110 0.000 2.767 540 D HA 0.124 4.767 4.640 0.005 0.000 0.231 540 D C 0.504 176.887 176.300 0.139 0.000 1.105 540 D CA -0.483 53.604 54.000 0.145 0.000 1.024 540 D CB -0.927 39.978 40.800 0.175 0.000 1.123 540 D HN 0.599 nan 8.370 nan 0.000 0.470 541 C N -0.807 118.561 119.300 0.114 0.000 2.451 541 C HA 0.894 5.357 4.460 0.005 0.000 0.391 541 C C 0.003 175.058 174.990 0.108 0.000 1.286 541 C CA -0.884 58.203 59.018 0.115 0.000 1.935 541 C CB 1.278 29.073 27.740 0.092 0.000 2.188 541 C HN 0.161 nan 8.230 nan 0.000 0.523 542 V N 1.094 121.082 119.914 0.122 0.000 2.969 542 V HA 0.595 4.718 4.120 0.005 0.000 0.304 542 V C -0.916 175.201 176.094 0.038 0.000 1.192 542 V CA -0.419 61.958 62.300 0.129 0.000 0.962 542 V CB 1.959 33.919 31.823 0.229 0.000 1.045 542 V HN 1.149 nan 8.190 nan 0.000 0.428 543 M N 6.162 125.735 119.600 -0.045 0.000 2.598 543 M HA 0.846 5.329 4.480 0.005 0.000 0.317 543 M C -1.657 174.535 176.300 -0.181 0.000 1.201 543 M CA -0.356 54.765 55.300 -0.297 0.000 0.971 543 M CB 1.735 34.273 32.600 -0.104 0.000 1.657 543 M HN 0.692 nan 8.290 nan 0.000 0.470 544 F N 1.263 121.235 119.950 0.036 0.000 2.668 544 F HA 0.850 5.380 4.527 0.004 0.000 0.309 544 F C -1.614 174.184 175.800 -0.003 0.000 1.117 544 F CA -1.400 56.520 58.000 -0.133 0.000 0.951 544 F CB 0.958 39.893 39.000 -0.108 0.000 1.323 544 F HN 0.589 nan 8.300 nan 0.000 0.451 545 F N -1.285 118.822 119.950 0.261 0.000 2.713 545 F HA 0.878 5.408 4.527 0.004 0.000 0.311 545 F C -0.207 175.679 175.800 0.142 0.000 1.141 545 F CA -1.814 56.285 58.000 0.166 0.000 0.939 545 F CB 0.815 39.887 39.000 0.120 0.000 1.325 545 F HN 0.843 nan 8.300 nan 0.000 0.453 546 G N 0.417 109.435 108.800 0.362 0.000 2.572 546 G HA2 0.578 4.541 3.960 0.005 0.000 0.261 546 G HA3 0.578 4.541 3.960 0.005 0.000 0.261 546 G C -2.991 172.094 174.900 0.309 0.000 1.197 546 G CA -1.739 43.498 45.100 0.227 0.000 0.870 546 G HN 0.501 nan 8.290 nan 0.000 0.548 547 P HA 0.099 nan 4.420 nan 0.000 0.270 547 P C 1.101 178.583 177.300 0.304 0.000 1.223 547 P CA -0.287 62.903 63.100 0.151 0.000 0.785 547 P CB 1.012 32.654 31.700 -0.096 0.000 0.923 548 V N -0.332 119.699 119.914 0.196 0.000 3.608 548 V HA 0.136 4.258 4.120 0.005 0.000 0.269 548 V C 0.478 176.580 176.094 0.014 0.000 1.245 548 V CA 0.426 62.783 62.300 0.094 0.000 1.138 548 V CB -0.663 31.148 31.823 -0.019 0.000 0.841 548 V HN 0.325 nan 8.190 nan 0.000 0.451 549 V N -4.765 115.170 119.914 0.035 0.000 3.007 549 V HA 0.623 4.745 4.120 0.005 0.000 0.311 549 V C -1.647 174.529 176.094 0.137 0.000 1.120 549 V CA -1.496 60.746 62.300 -0.097 0.000 0.980 549 V CB 1.510 33.005 31.823 -0.547 0.000 1.033 549 V HN -0.025 nan 8.190 nan 0.000 0.429 550 P HA -0.150 nan 4.420 nan 0.000 0.217 550 P C 0.374 177.819 177.300 0.242 0.000 1.148 550 P CA 1.921 65.105 63.100 0.139 0.000 0.828 550 P CB 0.065 31.770 31.700 0.009 0.000 0.783 551 D N -0.792 119.732 120.400 0.206 0.000 2.615 551 D HA 0.278 4.920 4.640 0.005 0.000 0.236 551 D C 0.796 177.220 176.300 0.207 0.000 1.233 551 D CA -0.604 53.511 54.000 0.193 0.000 0.829 551 D CB -0.185 40.758 40.800 0.239 0.000 1.024 551 D HN 0.062 nan 8.370 nan 0.000 0.490 552 G N -0.881 107.993 108.800 0.124 0.000 3.108 552 G HA2 0.580 4.543 3.960 0.005 0.000 0.268 552 G HA3 0.580 4.543 3.960 0.005 0.000 0.268 552 G C -1.583 173.263 174.900 -0.091 0.000 1.361 552 G CA -0.812 44.357 45.100 0.115 0.000 1.047 552 G HN 0.077 nan 8.290 nan 0.000 0.540 553 Y N -1.437 118.963 120.300 0.167 0.000 2.536 553 Y HA 0.609 5.162 4.550 0.004 0.000 0.347 553 Y C 0.637 176.619 175.900 0.137 0.000 1.000 553 Y CA -0.590 57.579 58.100 0.114 0.000 1.051 553 Y CB 2.706 41.261 38.460 0.157 0.000 1.259 553 Y HN 0.705 nan 8.280 nan 0.000 0.468 554 G N 1.150 110.105 108.800 0.259 0.000 2.422 554 G HA2 0.573 4.536 3.960 0.005 0.000 0.317 554 G HA3 0.573 4.536 3.960 0.005 0.000 0.317 554 G C -1.813 173.098 174.900 0.019 0.000 1.210 554 G CA -0.574 44.652 45.100 0.210 0.000 0.930 554 G HN 0.412 nan 8.290 nan 0.000 0.468 555 V N 1.685 121.674 119.914 0.124 0.000 2.531 555 V HA 0.585 4.708 4.120 0.005 0.000 0.301 555 V C -0.454 175.771 176.094 0.219 0.000 1.034 555 V CA -0.862 61.528 62.300 0.150 0.000 0.865 555 V CB 1.416 33.389 31.823 0.250 0.000 0.995 555 V HN 0.876 nan 8.190 nan 0.000 0.424 556 C N 6.206 125.606 119.300 0.166 0.000 2.712 556 C HA 0.978 5.441 4.460 0.005 0.000 0.308 556 C C -1.404 173.753 174.990 0.279 0.000 1.201 556 C CA -0.560 58.558 59.018 0.167 0.000 1.554 556 C CB 1.310 29.058 27.740 0.014 0.000 2.117 556 C HN 0.955 nan 8.230 nan 0.000 0.480 557 Y N 1.778 122.113 120.300 0.058 0.000 2.581 557 Y HA 0.535 5.087 4.550 0.004 0.000 0.337 557 Y C -0.795 175.030 175.900 -0.124 0.000 1.108 557 Y CA -1.214 56.803 58.100 -0.138 0.000 1.033 557 Y CB 0.972 39.158 38.460 -0.456 0.000 1.318 557 Y HN 0.704 nan 8.280 nan 0.000 0.459 558 N N 2.650 121.321 118.700 -0.048 0.000 2.626 558 N HA 0.474 5.217 4.740 0.005 0.000 0.249 558 N C -3.180 172.288 175.510 -0.071 0.000 1.021 558 N CA -1.878 51.142 53.050 -0.051 0.000 0.886 558 N CB 1.639 40.113 38.487 -0.023 0.000 1.149 558 N HN 0.333 nan 8.380 nan 0.000 0.517 559 P HA 0.192 nan 4.420 nan 0.000 0.282 559 P C -0.301 176.953 177.300 -0.077 0.000 1.274 559 P CA -0.146 62.932 63.100 -0.038 0.000 0.770 559 P CB 0.791 32.530 31.700 0.065 0.000 0.867 560 M N 1.799 121.286 119.600 -0.188 0.000 2.705 560 M HA 0.265 4.747 4.480 0.005 0.000 0.272 560 M C 1.680 177.930 176.300 -0.084 0.000 1.172 560 M CA -0.719 54.457 55.300 -0.207 0.000 0.901 560 M CB 0.208 32.485 32.600 -0.538 0.000 1.516 560 M HN 0.228 nan 8.290 nan 0.000 0.530 561 E N 1.142 121.328 120.200 -0.024 0.000 2.047 561 E HA -0.023 4.330 4.350 0.005 0.000 0.191 561 E C 1.214 177.878 176.600 0.106 0.000 0.987 561 E CA 2.141 58.570 56.400 0.048 0.000 0.799 561 E CB 0.075 29.811 29.700 0.059 0.000 0.752 561 E HN 0.689 nan 8.360 nan 0.000 0.449 562 A N -0.292 122.613 122.820 0.141 0.000 2.431 562 A HA 0.208 4.530 4.320 0.005 0.000 0.239 562 A C 0.013 177.775 177.584 0.298 0.000 1.230 562 A CA 0.108 52.281 52.037 0.226 0.000 0.928 562 A CB -0.228 18.896 19.000 0.207 0.000 1.006 562 A HN 0.494 nan 8.150 nan 0.000 0.520 563 H N -2.226 116.929 119.070 0.143 0.000 2.981 563 H HA 0.672 5.231 4.556 0.005 0.000 0.327 563 H C -2.022 173.389 175.328 0.138 0.000 1.342 563 H CA -1.258 54.872 56.048 0.136 0.000 1.123 563 H CB 0.684 30.502 29.762 0.092 0.000 1.851 563 H HN 0.005 nan 8.280 nan 0.000 0.531 564 I N 1.797 122.477 120.570 0.183 0.000 2.533 564 I HA 0.207 4.380 4.170 0.005 0.000 0.290 564 I C -0.803 175.334 176.117 0.032 0.000 1.056 564 I CA -0.895 60.378 61.300 -0.045 0.000 1.057 564 I CB 2.039 39.915 38.000 -0.206 0.000 1.240 564 I HN 0.365 nan 8.210 nan 0.000 0.423 565 N N 5.753 124.423 118.700 -0.049 0.000 2.422 565 N HA 0.482 5.225 4.740 0.005 0.000 0.266 565 N C -1.175 174.315 175.510 -0.034 0.000 1.007 565 N CA -0.088 53.014 53.050 0.086 0.000 0.941 565 N CB 1.187 39.756 38.487 0.137 0.000 1.115 565 N HN 0.297 nan 8.380 nan 0.000 0.492 566 F N -0.014 120.051 119.950 0.193 0.000 2.492 566 F HA 0.413 4.943 4.527 0.004 0.000 0.327 566 F C 0.796 176.684 175.800 0.147 0.000 1.079 566 F CA -0.692 57.414 58.000 0.177 0.000 0.967 566 F CB 1.871 40.938 39.000 0.112 0.000 1.169 566 F HN 0.161 nan 8.300 nan 0.000 0.472 567 S N 2.943 118.859 115.700 0.359 0.000 2.532 567 S HA 0.860 5.333 4.470 0.005 0.000 0.299 567 S C -1.505 173.177 174.600 0.136 0.000 1.105 567 S CA -0.439 57.886 58.200 0.207 0.000 1.018 567 S CB 0.582 63.923 63.200 0.235 0.000 1.021 567 S HN 0.474 nan 8.310 nan 0.000 0.483 568 L N 3.771 125.037 121.223 0.071 0.000 2.436 568 L HA 0.649 4.991 4.340 0.005 0.000 0.268 568 L C -0.242 176.655 176.870 0.045 0.000 0.974 568 L CA -0.313 54.564 54.840 0.062 0.000 0.826 568 L CB 2.237 44.331 42.059 0.060 0.000 1.291 568 L HN 0.706 nan 8.230 nan 0.000 0.406 569 S N 1.329 117.061 115.700 0.054 0.000 2.599 569 S HA 1.037 5.510 4.470 0.005 0.000 0.294 569 S C -0.623 173.979 174.600 0.003 0.000 1.094 569 S CA -0.315 57.881 58.200 -0.006 0.000 0.931 569 S CB 2.534 65.682 63.200 -0.086 0.000 1.093 569 S HN 0.995 nan 8.310 nan 0.000 0.488 570 A N 0.628 123.355 122.820 -0.155 0.000 2.599 570 A HA 0.729 5.052 4.320 0.005 0.000 0.290 570 A C -2.298 175.076 177.584 -0.351 0.000 1.101 570 A CA -0.825 51.032 52.037 -0.299 0.000 0.674 570 A CB 0.639 19.528 19.000 -0.186 0.000 1.277 570 A HN 0.755 nan 8.150 nan 0.000 0.419 571 Y N 1.319 121.609 120.300 -0.018 0.000 2.352 571 Y HA 0.329 4.881 4.550 0.004 0.000 0.339 571 Y C 1.365 177.266 175.900 0.002 0.000 0.992 571 Y CA -1.195 56.914 58.100 0.015 0.000 1.100 571 Y CB 1.459 39.938 38.460 0.031 0.000 1.192 571 Y HN 0.714 nan 8.280 nan 0.000 0.458 572 N N 0.603 119.408 118.700 0.175 0.000 2.289 572 N HA -0.152 4.590 4.740 0.005 0.000 0.184 572 N C 1.716 177.278 175.510 0.085 0.000 1.016 572 N CA 1.432 54.542 53.050 0.099 0.000 0.872 572 N CB -0.098 38.435 38.487 0.077 0.000 0.973 572 N HN 0.680 nan 8.380 nan 0.000 0.433 573 S N -0.646 115.112 115.700 0.097 0.000 2.469 573 S HA -0.072 4.401 4.470 0.005 0.000 0.238 573 S C 1.308 175.942 174.600 0.056 0.000 0.998 573 S CA 0.072 58.305 58.200 0.055 0.000 0.957 573 S CB -0.520 62.694 63.200 0.024 0.000 0.764 573 S HN 0.358 nan 8.310 nan 0.000 0.514 574 C N 2.548 121.895 119.300 0.079 0.000 2.176 574 C HA 0.817 5.279 4.460 0.005 0.000 0.329 574 C C 1.739 176.759 174.990 0.051 0.000 1.113 574 C CA -0.644 58.413 59.018 0.064 0.000 1.562 574 C CB -0.877 26.908 27.740 0.076 0.000 2.040 574 C HN 0.584 nan 8.230 nan 0.000 0.460 575 A N 3.687 126.534 122.820 0.045 0.000 2.076 575 A HA -0.121 4.201 4.320 0.005 0.000 0.220 575 A C 1.791 179.406 177.584 0.052 0.000 1.160 575 A CA 1.731 53.794 52.037 0.042 0.000 0.653 575 A CB -0.211 18.809 19.000 0.032 0.000 0.801 575 A HN 0.900 nan 8.150 nan 0.000 0.455 576 E N -0.045 120.194 120.200 0.066 0.000 2.427 576 E HA 0.026 4.379 4.350 0.005 0.000 0.196 576 E C 0.762 177.466 176.600 0.173 0.000 1.028 576 E CA 0.883 57.352 56.400 0.114 0.000 0.864 576 E CB -0.051 29.729 29.700 0.134 0.000 0.813 576 E HN 0.717 nan 8.360 nan 0.000 0.514 577 T N -1.065 113.540 114.554 0.085 0.000 2.888 577 T HA 0.483 4.836 4.350 0.005 0.000 0.284 577 T C -0.397 174.360 174.700 0.095 0.000 1.017 577 T CA -1.043 61.087 62.100 0.049 0.000 1.022 577 T CB 1.600 70.235 68.868 -0.388 0.000 1.013 577 T HN -0.063 nan 8.240 nan 0.000 0.465 578 N N 0.501 119.359 118.700 0.263 0.000 2.578 578 N HA 0.326 5.068 4.740 0.005 0.000 0.282 578 N C 0.762 176.475 175.510 0.338 0.000 1.119 578 N CA -0.200 52.979 53.050 0.215 0.000 0.948 578 N CB 2.047 40.615 38.487 0.135 0.000 1.546 578 N HN 0.766 nan 8.380 nan 0.000 0.525 579 A N 3.373 126.359 122.820 0.276 0.000 1.883 579 A HA -0.059 4.264 4.320 0.005 0.000 0.217 579 A C 2.049 179.711 177.584 0.130 0.000 1.186 579 A CA 2.230 54.410 52.037 0.238 0.000 0.624 579 A CB -0.674 18.411 19.000 0.141 0.000 0.822 579 A HN 0.758 nan 8.150 nan 0.000 0.444 580 A N -0.598 122.285 122.820 0.103 0.000 1.933 580 A HA -0.136 4.186 4.320 0.005 0.000 0.218 580 A C 2.209 179.864 177.584 0.118 0.000 1.175 580 A CA 1.828 53.917 52.037 0.087 0.000 0.628 580 A CB -0.430 18.608 19.000 0.063 0.000 0.814 580 A HN 0.556 nan 8.150 nan 0.000 0.444 581 R N -0.941 119.638 120.500 0.132 0.000 2.066 581 R HA -0.079 4.264 4.340 0.005 0.000 0.232 581 R C 1.999 178.423 176.300 0.206 0.000 1.131 581 R CA 1.524 57.734 56.100 0.184 0.000 0.955 581 R CB -0.425 29.950 30.300 0.126 0.000 0.851 581 R HN 0.414 nan 8.270 nan 0.000 0.432 582 L N 0.513 121.771 121.223 0.058 0.000 2.083 582 L HA -0.008 4.334 4.340 0.005 0.000 0.209 582 L C 2.124 178.975 176.870 -0.031 0.000 1.083 582 L CA 2.081 56.871 54.840 -0.084 0.000 0.752 582 L CB -0.725 41.094 42.059 -0.400 0.000 0.899 582 L HN 0.275 nan 8.230 nan 0.000 0.433 583 A N -1.268 121.550 122.820 -0.003 0.000 1.902 583 A HA -0.311 4.012 4.320 0.005 0.000 0.217 583 A C 2.289 179.880 177.584 0.012 0.000 1.181 583 A CA 1.833 53.850 52.037 -0.033 0.000 0.623 583 A CB -1.034 17.979 19.000 0.022 0.000 0.818 583 A HN 0.718 nan 8.150 nan 0.000 0.443 584 H N -1.926 117.155 119.070 0.018 0.000 2.321 584 H HA -0.170 4.388 4.556 0.005 0.000 0.300 584 H C 1.743 177.042 175.328 -0.048 0.000 1.087 584 H CA 2.211 58.254 56.048 -0.008 0.000 1.319 584 H CB -0.429 29.327 29.762 -0.010 0.000 1.379 584 H HN 0.516 nan 8.280 nan 0.000 0.501 585 Y N -0.558 119.622 120.300 -0.200 0.000 2.224 585 Y HA -0.132 4.421 4.550 0.005 0.000 0.289 585 Y C 2.470 178.222 175.900 -0.246 0.000 1.146 585 Y CA 1.145 59.093 58.100 -0.254 0.000 1.182 585 Y CB -0.438 37.929 38.460 -0.154 0.000 0.983 585 Y HN 0.291 nan 8.280 nan 0.000 0.524 586 L N 0.519 121.682 121.223 -0.101 0.000 2.046 586 L HA -0.187 4.155 4.340 0.005 0.000 0.208 586 L C 2.268 178.966 176.870 -0.287 0.000 1.077 586 L CA 2.021 56.717 54.840 -0.239 0.000 0.747 586 L CB -0.846 40.971 42.059 -0.402 0.000 0.896 586 L HN 0.311 nan 8.230 nan 0.000 0.432 587 E N -0.390 119.676 120.200 -0.224 0.000 2.058 587 E HA -0.324 4.029 4.350 0.005 0.000 0.194 587 E C 2.275 178.837 176.600 -0.063 0.000 0.997 587 E CA 1.662 58.033 56.400 -0.048 0.000 0.801 587 E CB -0.177 29.567 29.700 0.073 0.000 0.746 587 E HN 0.536 nan 8.360 nan 0.000 0.450 588 K N -0.104 120.161 120.400 -0.225 0.000 2.097 588 K HA -0.090 4.232 4.320 0.005 0.000 0.205 588 K C 2.002 178.535 176.600 -0.111 0.000 1.050 588 K CA 1.000 57.161 56.287 -0.211 0.000 0.938 588 K CB -0.147 32.136 32.500 -0.361 0.000 0.718 588 K HN 0.183 nan 8.250 nan 0.000 0.442 589 A N 1.338 124.094 122.820 -0.106 0.000 1.883 589 A HA -0.148 4.174 4.320 0.005 0.000 0.217 589 A C 2.087 179.673 177.584 0.002 0.000 1.186 589 A CA 1.402 53.411 52.037 -0.047 0.000 0.624 589 A CB -0.686 18.284 19.000 -0.050 0.000 0.822 589 A HN 0.315 nan 8.150 nan 0.000 0.444 590 L N -0.702 120.509 121.223 -0.020 0.000 2.012 590 L HA -0.201 4.141 4.340 0.005 0.000 0.210 590 L C 2.606 179.705 176.870 0.382 0.000 1.073 590 L CA 1.225 56.158 54.840 0.156 0.000 0.748 590 L CB -0.529 41.368 42.059 -0.270 0.000 0.891 590 L HN 0.381 nan 8.230 nan 0.000 0.431 591 L N -0.662 120.702 121.223 0.236 0.000 2.046 591 L HA -0.220 4.123 4.340 0.005 0.000 0.208 591 L C 2.215 179.145 176.870 0.099 0.000 1.077 591 L CA 1.031 55.971 54.840 0.168 0.000 0.747 591 L CB -0.619 41.409 42.059 -0.051 0.000 0.896 591 L HN 0.283 nan 8.230 nan 0.000 0.432 592 D N -0.259 120.179 120.400 0.063 0.000 2.144 592 D HA -0.165 4.477 4.640 0.005 0.000 0.200 592 D C 2.315 178.674 176.300 0.099 0.000 0.978 592 D CA 1.294 55.324 54.000 0.050 0.000 0.833 592 D CB -0.065 40.747 40.800 0.019 0.000 0.961 592 D HN 0.299 nan 8.370 nan 0.000 0.470 593 M N -0.116 119.573 119.600 0.149 0.000 2.132 593 M HA -0.094 4.388 4.480 0.005 0.000 0.263 593 M C 2.301 178.778 176.300 0.295 0.000 1.065 593 M CA 1.012 56.427 55.300 0.191 0.000 1.122 593 M CB -0.025 32.594 32.600 0.031 0.000 1.365 593 M HN -0.104 nan 8.290 nan 0.000 0.411 594 R N 0.672 121.319 120.500 0.246 0.000 2.066 594 R HA -0.115 4.227 4.340 0.005 0.000 0.232 594 R C 2.160 178.410 176.300 -0.084 0.000 1.131 594 R CA 1.638 57.637 56.100 -0.167 0.000 0.955 594 R CB -0.290 29.553 30.300 -0.762 0.000 0.851 594 R HN 0.326 nan 8.270 nan 0.000 0.432 595 A N 1.303 124.111 122.820 -0.021 0.000 1.908 595 A HA -0.187 4.136 4.320 0.005 0.000 0.218 595 A C 2.063 179.681 177.584 0.056 0.000 1.181 595 A CA 1.457 53.496 52.037 0.004 0.000 0.627 595 A CB -0.682 18.323 19.000 0.010 0.000 0.818 595 A HN 0.416 nan 8.150 nan 0.000 0.445 596 L N -0.246 121.031 121.223 0.090 0.000 2.017 596 L HA -0.107 4.236 4.340 0.005 0.000 0.208 596 L C 2.308 179.252 176.870 0.124 0.000 1.073 596 L CA 1.764 56.665 54.840 0.103 0.000 0.745 596 L CB -0.495 41.635 42.059 0.118 0.000 0.894 596 L HN 0.407 nan 8.230 nan 0.000 0.432 597 L N -0.984 120.348 121.223 0.182 0.000 2.046 597 L HA -0.215 4.128 4.340 0.005 0.000 0.208 597 L C 2.573 179.556 176.870 0.188 0.000 1.077 597 L CA 1.305 56.269 54.840 0.207 0.000 0.747 597 L CB -0.604 41.656 42.059 0.334 0.000 0.896 597 L HN 0.395 nan 8.230 nan 0.000 0.432 598 Q N -0.161 119.759 119.800 0.200 0.000 2.437 598 Q HA -0.059 4.284 4.340 0.005 0.000 0.210 598 Q C 1.219 177.274 176.000 0.092 0.000 0.972 598 Q CA 0.662 56.555 55.803 0.151 0.000 0.903 598 Q CB 0.016 28.817 28.738 0.105 0.000 0.967 598 Q HN 0.599 nan 8.270 nan 0.000 0.486 599 S N 0.000 115.749 115.700 0.081 0.000 2.498 599 S HA 0.000 4.473 4.470 0.005 0.000 0.327 599 S CA 0.000 58.238 58.200 0.063 0.000 1.107 599 S CB 0.000 63.235 63.200 0.058 0.000 0.593 599 S HN 0.000 nan 8.310 nan 0.000 0.517