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 1tyu_1_A DATA FIRST_RESID 113 DATA SEQUENCE YSIEADKKFK YSVKLSDYPT LQDAASAAVD GLLIDRDYNF YGGETVDFGG DATA SEQUENCE KVLTIECKAK FIGDGNLIFT KLGKGSRIAG VFMESTTTPW VIKPWTDDNQ DATA SEQUENCE WLTDAAAVVA TLKQSKTDGY QPTVSDYVKF PGIETLLPPN AKGQNITSTL DATA SEQUENCE EIRECIGVEV HRASGLMAGF LFRGCHFCKM VDANNPSGGK DGIITFENLS DATA SEQUENCE GDWGKGNYVI GGRTSYGSVS SAQFLRNNGG FERDGGVIGF TSYRAGESGV DATA SEQUENCE KTWQGTVGST TSRNYNLQFR DSVVIYPVWD GFDLGADTXX XXXXDRPGDY DATA SEQUENCE PITQYPLHQL PLNHLIDNLL VRGALGVGFG MDGKGMYVSN ITVEDCAGSG DATA SEQUENCE AYLLTHESVF TNIAIIDTNT KDFQANQIYI SGACRVNGLR LIGIRSXXXX DATA SEQUENCE XLTIDAPNST VSGITGMVDP SRINVANLAE EGLGNIRANS FGYDSAAIKL DATA SEQUENCE RIHKLSKTLD SGALYSHING GAGSGSAYTQ LTAISGSTPD AVSLKVNHKD DATA SEQUENCE CRGAEIPFVP DIASDDFIKD SSCFLPYWEN NSTSLKALVK KPNGELVRLT DATA SEQUENCE LATL 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 113 Y HA 0.000 nan 4.550 nan 0.000 0.201 113 Y C 0.000 175.919 175.900 0.032 0.000 1.272 113 Y CA 0.000 58.114 58.100 0.024 0.000 1.940 113 Y CB 0.000 38.481 38.460 0.036 0.000 1.050 114 S N 1.375 117.072 115.700 -0.005 0.000 2.383 114 S HA -0.170 4.301 4.470 0.000 0.000 0.229 114 S C 1.727 176.258 174.600 -0.116 0.000 1.030 114 S CA 1.639 59.797 58.200 -0.069 0.000 1.002 114 S CB -0.590 62.626 63.200 0.027 0.000 0.829 114 S HN 0.389 nan 8.310 nan 0.000 0.467 115 I N 2.507 123.031 120.570 -0.077 0.000 2.226 115 I HA -0.117 4.053 4.170 0.000 0.000 0.245 115 I C 2.846 178.890 176.117 -0.123 0.000 1.100 115 I CA 1.703 62.964 61.300 -0.065 0.000 1.374 115 I CB -1.493 36.488 38.000 -0.033 0.000 1.057 115 I HN 0.565 nan 8.210 nan 0.000 0.413 116 E N 1.314 121.399 120.200 -0.191 0.000 2.028 116 E HA -0.188 4.163 4.350 0.000 0.000 0.191 116 E C 2.326 178.683 176.600 -0.405 0.000 0.988 116 E CA 1.411 57.658 56.400 -0.254 0.000 0.799 116 E CB 0.058 29.623 29.700 -0.225 0.000 0.755 116 E HN 0.370 nan 8.360 nan 0.000 0.447 117 A N 1.459 123.912 122.820 -0.611 0.000 1.908 117 A HA -0.225 4.095 4.320 0.000 0.000 0.218 117 A C 1.827 179.264 177.584 -0.245 0.000 1.181 117 A CA 1.983 53.681 52.037 -0.565 0.000 0.627 117 A CB -0.668 18.052 19.000 -0.467 0.000 0.818 117 A HN 0.313 nan 8.150 nan 0.000 0.445 118 D N -0.405 119.922 120.400 -0.121 0.000 2.221 118 D HA -0.095 4.545 4.640 0.000 0.000 0.204 118 D C 1.722 178.087 176.300 0.108 0.000 0.982 118 D CA 1.208 55.241 54.000 0.056 0.000 0.857 118 D CB -0.110 40.740 40.800 0.084 0.000 0.934 118 D HN 0.566 nan 8.370 nan 0.000 0.475 119 K N -0.088 120.284 120.400 -0.046 0.000 2.352 119 K HA 0.057 4.377 4.320 0.000 0.000 0.194 119 K C 1.648 178.185 176.600 -0.104 0.000 1.038 119 K CA 0.237 56.499 56.287 -0.043 0.000 1.023 119 K CB 0.520 32.978 32.500 -0.071 0.000 0.840 119 K HN 0.149 nan 8.250 nan 0.000 0.519 120 K N -0.376 119.854 120.400 -0.283 0.000 2.374 120 K HA 0.167 4.487 4.320 0.000 0.000 0.202 120 K C -0.284 176.091 176.600 -0.376 0.000 1.040 120 K CA -0.186 55.871 56.287 -0.384 0.000 1.085 120 K CB 0.389 32.551 32.500 -0.563 0.000 0.873 120 K HN -0.202 nan 8.250 nan 0.000 0.539 121 F N 2.159 122.114 119.950 0.008 0.000 2.492 121 F HA 0.390 4.917 4.527 0.000 0.000 0.327 121 F C 0.194 176.023 175.800 0.048 0.000 1.079 121 F CA -1.729 56.263 58.000 -0.014 0.000 0.967 121 F CB 1.557 40.497 39.000 -0.101 0.000 1.169 121 F HN -0.224 nan 8.300 nan 0.000 0.472 122 K N 1.822 122.387 120.400 0.274 0.000 2.379 122 K HA 0.167 4.487 4.320 0.000 0.000 0.284 122 K C -1.532 175.180 176.600 0.186 0.000 1.044 122 K CA 0.129 56.551 56.287 0.226 0.000 0.974 122 K CB -0.118 32.469 32.500 0.144 0.000 0.962 122 K HN 0.377 nan 8.250 nan 0.000 0.474 123 Y N 2.283 122.625 120.300 0.070 0.000 2.335 123 Y HA 0.356 4.906 4.550 0.000 0.000 0.331 123 Y C 0.467 176.394 175.900 0.045 0.000 1.094 123 Y CA 0.119 58.254 58.100 0.058 0.000 1.253 123 Y CB 1.424 39.912 38.460 0.047 0.000 1.203 123 Y HN 0.601 nan 8.280 nan 0.000 0.508 124 S N 2.665 118.441 115.700 0.127 0.000 2.563 124 S HA 0.640 5.110 4.470 0.000 0.000 0.279 124 S C -1.412 173.242 174.600 0.089 0.000 1.155 124 S CA -0.810 57.449 58.200 0.098 0.000 0.928 124 S CB 0.278 63.517 63.200 0.065 0.000 1.107 124 S HN 0.613 nan 8.310 nan 0.000 0.462 125 V N 2.249 122.228 119.914 0.108 0.000 2.850 125 V HA 0.869 4.989 4.120 0.000 0.000 0.315 125 V C -0.763 175.428 176.094 0.162 0.000 1.064 125 V CA -0.872 61.525 62.300 0.161 0.000 0.979 125 V CB 1.526 33.444 31.823 0.158 0.000 1.039 125 V HN 0.971 nan 8.190 nan 0.000 0.452 126 K N 2.553 123.092 120.400 0.232 0.000 2.378 126 K HA 0.552 4.872 4.320 0.000 0.000 0.252 126 K C 0.098 176.868 176.600 0.283 0.000 0.931 126 K CA -0.854 55.543 56.287 0.184 0.000 0.794 126 K CB 2.419 34.982 32.500 0.105 0.000 1.181 126 K HN 0.483 nan 8.250 nan 0.000 0.425 127 L N 2.626 123.986 121.223 0.228 0.000 2.129 127 L HA -0.224 4.116 4.340 0.000 0.000 0.212 127 L C 2.082 179.097 176.870 0.241 0.000 1.087 127 L CA 2.406 57.406 54.840 0.266 0.000 0.757 127 L CB -0.663 41.507 42.059 0.186 0.000 0.896 127 L HN 0.938 nan 8.230 nan 0.000 0.434 128 S N -2.145 113.642 115.700 0.146 0.000 2.469 128 S HA -0.144 4.326 4.470 0.000 0.000 0.238 128 S C 1.437 176.037 174.600 -0.000 0.000 0.998 128 S CA 1.140 59.388 58.200 0.080 0.000 0.957 128 S CB -0.555 62.673 63.200 0.047 0.000 0.764 128 S HN 0.518 nan 8.310 nan 0.000 0.514 129 D N -0.029 120.318 120.400 -0.088 0.000 2.339 129 D HA 0.223 4.864 4.640 0.000 0.000 0.217 129 D C -0.576 175.280 176.300 -0.740 0.000 1.050 129 D CA 0.353 54.094 54.000 -0.432 0.000 0.856 129 D CB 0.156 40.568 40.800 -0.647 0.000 0.922 129 D HN 0.497 nan 8.370 nan 0.000 0.518 130 Y N -0.461 119.875 120.300 0.061 0.000 2.536 130 Y HA 0.287 4.837 4.550 0.000 0.000 0.347 130 Y C -1.498 174.463 175.900 0.102 0.000 1.000 130 Y CA -1.965 56.174 58.100 0.066 0.000 1.051 130 Y CB 1.576 40.066 38.460 0.050 0.000 1.259 130 Y HN -0.290 nan 8.280 nan 0.000 0.468 131 P HA -0.016 nan 4.420 nan 0.000 0.221 131 P C 0.161 177.637 177.300 0.293 0.000 1.155 131 P CA 1.061 64.288 63.100 0.211 0.000 0.812 131 P CB 0.627 32.416 31.700 0.149 0.000 0.801 132 T N -3.805 110.921 114.554 0.287 0.000 2.901 132 T HA 0.363 4.713 4.350 0.000 0.000 0.293 132 T C 0.635 175.400 174.700 0.109 0.000 1.084 132 T CA -0.804 61.487 62.100 0.317 0.000 1.008 132 T CB 1.385 70.386 68.868 0.222 0.000 1.170 132 T HN -0.185 nan 8.240 nan 0.000 0.509 133 L N 0.799 121.954 121.223 -0.114 0.000 2.093 133 L HA 0.105 4.446 4.340 0.000 0.000 0.208 133 L C 2.643 179.340 176.870 -0.288 0.000 1.085 133 L CA 1.934 56.563 54.840 -0.352 0.000 0.755 133 L CB -1.196 40.500 42.059 -0.606 0.000 0.904 133 L HN 0.916 nan 8.230 nan 0.000 0.435 134 Q N -0.270 119.398 119.800 -0.219 0.000 2.124 134 Q HA -0.210 4.130 4.340 0.000 0.000 0.202 134 Q C 1.817 177.677 176.000 -0.233 0.000 0.977 134 Q CA 2.080 57.726 55.803 -0.262 0.000 0.850 134 Q CB -0.309 28.333 28.738 -0.159 0.000 0.901 134 Q HN 0.551 nan 8.270 nan 0.000 0.429 135 D N -0.391 119.920 120.400 -0.148 0.000 2.117 135 D HA -0.126 4.514 4.640 0.000 0.000 0.197 135 D C 1.611 177.632 176.300 -0.464 0.000 0.987 135 D CA 1.451 55.359 54.000 -0.153 0.000 0.829 135 D CB -0.253 40.580 40.800 0.056 0.000 0.961 135 D HN 0.414 nan 8.370 nan 0.000 0.460 136 A N 1.279 123.751 122.820 -0.581 0.000 1.902 136 A HA -0.056 4.264 4.320 0.000 0.000 0.217 136 A C 2.354 179.662 177.584 -0.459 0.000 1.181 136 A CA 2.197 53.733 52.037 -0.835 0.000 0.623 136 A CB -0.687 18.074 19.000 -0.398 0.000 0.818 136 A HN 0.235 nan 8.150 nan 0.000 0.443 137 A N -0.507 122.102 122.820 -0.351 0.000 1.908 137 A HA -0.092 4.229 4.320 0.000 0.000 0.218 137 A C 2.433 179.886 177.584 -0.218 0.000 1.181 137 A CA 2.130 53.991 52.037 -0.294 0.000 0.627 137 A CB -0.886 17.694 19.000 -0.700 0.000 0.818 137 A HN 0.456 nan 8.150 nan 0.000 0.445 138 S N -0.304 115.250 115.700 -0.242 0.000 2.382 138 S HA -0.007 4.463 4.470 0.000 0.000 0.228 138 S C 2.166 176.699 174.600 -0.113 0.000 1.027 138 S CA 1.135 59.243 58.200 -0.154 0.000 0.991 138 S CB -0.332 62.789 63.200 -0.131 0.000 0.823 138 S HN 0.794 nan 8.310 nan 0.000 0.469 139 A N 1.235 123.952 122.820 -0.171 0.000 2.016 139 A HA 0.543 4.863 4.320 0.000 0.000 0.217 139 A C 1.208 178.773 177.584 -0.032 0.000 1.162 139 A CA 0.551 52.533 52.037 -0.091 0.000 0.662 139 A CB -0.586 18.333 19.000 -0.136 0.000 0.812 139 A HN 0.483 nan 8.150 nan 0.000 0.450 140 A N -0.634 122.153 122.820 -0.057 0.000 2.531 140 A HA 0.416 4.736 4.320 0.000 0.000 0.236 140 A C 0.965 178.571 177.584 0.036 0.000 1.062 140 A CA 0.493 52.537 52.037 0.012 0.000 0.760 140 A CB 0.436 19.448 19.000 0.021 0.000 0.995 140 A HN 0.494 nan 8.150 nan 0.000 0.501 141 V N 0.918 120.869 119.914 0.062 0.000 3.058 141 V HA 0.092 4.212 4.120 0.000 0.000 0.233 141 V C 1.335 177.437 176.094 0.013 0.000 1.255 141 V CA 1.420 63.737 62.300 0.029 0.000 1.267 141 V CB 0.207 32.048 31.823 0.030 0.000 1.049 141 V HN 1.008 nan 8.190 nan 0.000 0.486 142 D N -0.301 120.131 120.400 0.054 0.000 3.163 142 D HA 0.230 4.871 4.640 0.000 0.000 0.228 142 D C 0.929 177.257 176.300 0.046 0.000 1.521 142 D CA 1.115 55.140 54.000 0.042 0.000 1.334 142 D CB 0.595 41.438 40.800 0.071 0.000 1.126 142 D HN 0.296 nan 8.370 nan 0.000 0.304 143 G N 0.425 109.270 108.800 0.074 0.000 2.434 143 G HA2 0.561 4.521 3.960 0.000 0.000 0.330 143 G HA3 0.561 4.521 3.960 0.000 0.000 0.330 143 G C -1.481 173.454 174.900 0.058 0.000 1.155 143 G CA -0.278 44.855 45.100 0.055 0.000 0.917 143 G HN 0.245 nan 8.290 nan 0.000 0.493 144 L N 1.113 122.364 121.223 0.046 0.000 2.482 144 L HA 0.611 4.951 4.340 0.000 0.000 0.269 144 L C -1.431 175.476 176.870 0.063 0.000 0.967 144 L CA -0.938 53.936 54.840 0.056 0.000 0.851 144 L CB 1.821 43.912 42.059 0.053 0.000 1.242 144 L HN 0.446 nan 8.230 nan 0.000 0.404 145 L N 6.206 127.472 121.223 0.072 0.000 2.282 145 L HA 0.608 4.949 4.340 0.000 0.000 0.288 145 L C -0.898 176.017 176.870 0.075 0.000 1.033 145 L CA -0.181 54.698 54.840 0.064 0.000 0.807 145 L CB 1.140 43.231 42.059 0.054 0.000 1.209 145 L HN 0.462 nan 8.230 nan 0.000 0.423 146 I N 5.754 126.358 120.570 0.056 0.000 2.282 146 I HA 0.225 4.395 4.170 0.000 0.000 0.290 146 I C 0.249 176.377 176.117 0.019 0.000 1.090 146 I CA -0.148 61.177 61.300 0.042 0.000 1.231 146 I CB 0.424 38.394 38.000 -0.050 0.000 1.434 146 I HN 0.671 nan 8.210 nan 0.000 0.487 147 D N 5.777 126.207 120.400 0.050 0.000 2.431 147 D HA 0.072 4.712 4.640 0.000 0.000 0.213 147 D C 0.431 176.757 176.300 0.044 0.000 1.130 147 D CA -0.241 53.781 54.000 0.036 0.000 0.834 147 D CB 0.571 41.395 40.800 0.039 0.000 0.985 147 D HN 0.585 nan 8.370 nan 0.000 0.504 148 R N -0.694 119.849 120.500 0.072 0.000 2.668 148 R HA 0.439 4.779 4.340 0.000 0.000 0.272 148 R C -1.441 174.935 176.300 0.128 0.000 1.019 148 R CA -0.785 55.369 56.100 0.089 0.000 0.894 148 R CB 0.824 31.192 30.300 0.113 0.000 1.228 148 R HN -0.370 nan 8.270 nan 0.000 0.460 149 D N 1.457 121.924 120.400 0.111 0.000 2.443 149 D HA 0.015 4.655 4.640 0.000 0.000 0.239 149 D C -1.105 175.361 176.300 0.276 0.000 1.136 149 D CA 0.742 54.833 54.000 0.152 0.000 0.879 149 D CB 0.504 41.362 40.800 0.096 0.000 1.195 149 D HN 0.431 nan 8.370 nan 0.000 0.443 150 Y N 1.921 122.364 120.300 0.238 0.000 2.338 150 Y HA 0.212 4.762 4.550 0.000 0.000 0.333 150 Y C -0.589 175.511 175.900 0.334 0.000 0.968 150 Y CA -0.866 57.422 58.100 0.313 0.000 1.123 150 Y CB 0.942 39.681 38.460 0.465 0.000 1.165 150 Y HN 0.197 nan 8.280 nan 0.000 0.452 151 N N 7.337 125.917 118.700 -0.201 0.000 2.414 151 N HA 0.203 4.944 4.740 0.000 0.000 0.256 151 N C -1.135 174.217 175.510 -0.264 0.000 1.029 151 N CA -0.045 52.906 53.050 -0.165 0.000 0.948 151 N CB 0.927 39.314 38.487 -0.167 0.000 1.102 151 N HN 0.546 nan 8.380 nan 0.000 0.496 152 F N 1.067 120.979 119.950 -0.064 0.000 2.483 152 F HA 0.587 5.114 4.527 0.000 0.000 0.329 152 F C -0.305 175.484 175.800 -0.018 0.000 1.064 152 F CA -1.487 56.483 58.000 -0.050 0.000 0.986 152 F CB 0.424 39.434 39.000 0.016 0.000 1.218 152 F HN 0.319 nan 8.300 nan 0.000 0.484 153 Y N 0.290 120.673 120.300 0.139 0.000 2.352 153 Y HA 0.763 5.313 4.550 0.000 0.000 0.326 153 Y C 0.397 176.424 175.900 0.211 0.000 1.166 153 Y CA -2.051 56.071 58.100 0.037 0.000 1.182 153 Y CB 0.488 38.965 38.460 0.027 0.000 1.216 153 Y HN 1.024 nan 8.280 nan 0.000 0.474 154 G N 0.889 109.839 108.800 0.250 0.000 2.225 154 G HA2 0.365 4.325 3.960 0.000 0.000 0.245 154 G HA3 0.365 4.325 3.960 0.000 0.000 0.245 154 G C 0.908 175.930 174.900 0.204 0.000 1.249 154 G CA 0.110 45.346 45.100 0.226 0.000 0.919 154 G HN 1.921 nan 8.290 nan 0.000 0.486 155 G N 1.367 110.221 108.800 0.089 0.000 2.176 155 G HA2 -0.255 3.705 3.960 0.000 0.000 0.232 155 G HA3 -0.255 3.705 3.960 0.000 0.000 0.232 155 G C 0.401 175.272 174.900 -0.048 0.000 0.986 155 G CA 0.380 45.509 45.100 0.047 0.000 0.643 155 G HN 0.981 nan 8.290 nan 0.000 0.522 156 E N 1.443 121.462 120.200 -0.303 0.000 2.493 156 E HA 0.388 4.738 4.350 0.000 0.000 0.255 156 E C -0.180 176.287 176.600 -0.223 0.000 0.999 156 E CA 0.605 56.688 56.400 -0.528 0.000 0.934 156 E CB 0.201 29.409 29.700 -0.820 0.000 0.940 156 E HN 0.185 nan 8.360 nan 0.000 0.473 157 T N 3.887 118.369 114.554 -0.120 0.000 2.807 157 T HA 0.394 4.744 4.350 0.000 0.000 0.279 157 T C -0.794 173.841 174.700 -0.108 0.000 0.993 157 T CA -0.685 61.370 62.100 -0.075 0.000 0.970 157 T CB 1.403 70.251 68.868 -0.033 0.000 0.950 157 T HN 0.224 nan 8.240 nan 0.000 0.441 158 V N 3.143 122.975 119.914 -0.138 0.000 2.448 158 V HA 0.427 4.547 4.120 0.000 0.000 0.295 158 V C -0.383 175.456 176.094 -0.424 0.000 1.025 158 V CA -0.884 61.191 62.300 -0.375 0.000 0.859 158 V CB 1.856 33.299 31.823 -0.634 0.000 0.988 158 V HN 0.826 nan 8.190 nan 0.000 0.431 159 D N 3.262 123.400 120.400 -0.436 0.000 2.329 159 D HA 0.342 4.982 4.640 0.000 0.000 0.232 159 D C -0.036 176.014 176.300 -0.416 0.000 1.088 159 D CA -0.400 53.433 54.000 -0.279 0.000 0.835 159 D CB 1.262 41.971 40.800 -0.152 0.000 1.078 159 D HN 0.370 nan 8.370 nan 0.000 0.495 160 F N 1.593 121.469 119.950 -0.123 0.000 2.692 160 F HA 0.238 4.766 4.527 0.000 0.000 0.303 160 F C 2.109 177.860 175.800 -0.082 0.000 1.114 160 F CA 0.036 57.957 58.000 -0.131 0.000 1.361 160 F CB 0.142 39.048 39.000 -0.157 0.000 1.063 160 F HN 0.645 nan 8.300 nan 0.000 0.550 161 G N 0.541 109.367 108.800 0.044 0.000 2.296 161 G HA2 -0.175 3.785 3.960 0.000 0.000 0.282 161 G HA3 -0.175 3.785 3.960 0.000 0.000 0.282 161 G C 1.378 176.304 174.900 0.043 0.000 1.014 161 G CA 0.414 45.530 45.100 0.027 0.000 0.812 161 G HN 1.135 nan 8.290 nan 0.000 0.508 162 G N -1.556 107.285 108.800 0.068 0.000 2.155 162 G HA2 -0.317 3.643 3.960 0.000 0.000 0.257 162 G HA3 -0.317 3.643 3.960 0.000 0.000 0.257 162 G C 0.428 175.352 174.900 0.041 0.000 0.983 162 G CA 1.175 46.307 45.100 0.053 0.000 0.676 162 G HN 0.997 nan 8.290 nan 0.000 0.528 163 K N -0.093 120.337 120.400 0.050 0.000 2.270 163 K HA 0.459 4.779 4.320 0.000 0.000 0.276 163 K C 0.463 177.066 176.600 0.004 0.000 1.023 163 K CA -0.538 55.765 56.287 0.026 0.000 0.955 163 K CB 1.808 34.329 32.500 0.036 0.000 0.975 163 K HN 0.007 nan 8.250 nan 0.000 0.471 164 V N 5.612 125.521 119.914 -0.008 0.000 2.338 164 V HA 0.149 4.270 4.120 0.000 0.000 0.255 164 V C -0.009 176.067 176.094 -0.031 0.000 1.082 164 V CA -0.239 62.049 62.300 -0.019 0.000 0.951 164 V CB -0.611 31.205 31.823 -0.012 0.000 1.102 164 V HN 0.522 nan 8.190 nan 0.000 0.489 165 L N 3.766 124.951 121.223 -0.063 0.000 2.330 165 L HA 0.643 4.983 4.340 0.000 0.000 0.271 165 L C 0.280 177.110 176.870 -0.067 0.000 1.013 165 L CA -0.451 54.349 54.840 -0.066 0.000 0.816 165 L CB 2.171 44.165 42.059 -0.108 0.000 1.287 165 L HN 0.376 nan 8.230 nan 0.000 0.435 166 T N 2.828 117.360 114.554 -0.037 0.000 2.821 166 T HA 0.531 4.881 4.350 0.000 0.000 0.307 166 T C -0.141 174.550 174.700 -0.015 0.000 1.034 166 T CA -0.201 61.882 62.100 -0.028 0.000 0.953 166 T CB 0.274 69.133 68.868 -0.015 0.000 0.968 166 T HN 0.243 nan 8.240 nan 0.000 0.462 167 I N 3.040 123.601 120.570 -0.015 0.000 2.307 167 I HA 0.303 4.473 4.170 0.000 0.000 0.289 167 I C 0.533 176.681 176.117 0.051 0.000 1.021 167 I CA -0.539 60.775 61.300 0.023 0.000 1.224 167 I CB 1.069 39.085 38.000 0.027 0.000 1.376 167 I HN 0.526 nan 8.210 nan 0.000 0.470 168 E N 6.216 126.444 120.200 0.048 0.000 2.109 168 E HA 0.362 4.712 4.350 0.000 0.000 0.278 168 E C -1.348 175.277 176.600 0.041 0.000 0.954 168 E CA -0.638 55.787 56.400 0.042 0.000 0.779 168 E CB 1.006 30.724 29.700 0.030 0.000 1.093 168 E HN 0.626 nan 8.360 nan 0.000 0.401 169 C N 4.859 124.181 119.300 0.037 0.000 2.307 169 C HA 0.374 4.834 4.460 0.000 0.000 0.340 169 C C 0.700 175.684 174.990 -0.009 0.000 1.275 169 C CA -0.616 58.397 59.018 -0.009 0.000 1.811 169 C CB 0.196 27.918 27.740 -0.031 0.000 2.372 169 C HN 0.799 nan 8.230 nan 0.000 0.531 170 K N 1.331 121.713 120.400 -0.030 0.000 2.592 170 K HA 0.499 4.819 4.320 0.000 0.000 0.203 170 K C 0.034 176.604 176.600 -0.050 0.000 1.070 170 K CA 0.082 56.354 56.287 -0.025 0.000 1.062 170 K CB 0.813 33.308 32.500 -0.008 0.000 0.814 170 K HN 0.787 nan 8.250 nan 0.000 0.502 171 A N 0.855 123.625 122.820 -0.083 0.000 2.568 171 A HA 0.571 4.891 4.320 0.000 0.000 0.291 171 A C -1.476 176.029 177.584 -0.132 0.000 1.159 171 A CA -0.879 51.104 52.037 -0.091 0.000 0.679 171 A CB 1.134 20.108 19.000 -0.044 0.000 1.285 171 A HN 0.065 nan 8.150 nan 0.000 0.428 172 K N -0.302 120.059 120.400 -0.066 0.000 2.123 172 K HA 0.653 4.973 4.320 0.000 0.000 0.248 172 K C -1.690 174.984 176.600 0.123 0.000 0.969 172 K CA -0.275 56.039 56.287 0.046 0.000 0.882 172 K CB 0.995 33.582 32.500 0.145 0.000 1.080 172 K HN 0.368 nan 8.250 nan 0.000 0.441 173 F N 2.143 122.301 119.950 0.346 0.000 2.388 173 F HA 0.404 4.931 4.527 0.000 0.000 0.358 173 F C 0.035 176.109 175.800 0.457 0.000 1.122 173 F CA -1.012 57.242 58.000 0.424 0.000 1.056 173 F CB 0.570 39.750 39.000 0.300 0.000 1.155 173 F HN 0.198 nan 8.300 nan 0.000 0.461 174 I N 3.025 123.921 120.570 0.543 0.000 2.378 174 I HA 0.809 4.979 4.170 0.000 0.000 0.291 174 I C 0.265 176.208 176.117 -0.290 0.000 0.992 174 I CA -0.465 60.952 61.300 0.195 0.000 1.154 174 I CB 1.609 39.675 38.000 0.110 0.000 1.315 174 I HN 0.664 nan 8.210 nan 0.000 0.448 175 G N 4.139 112.656 108.800 -0.471 0.000 2.358 175 G HA2 0.186 4.146 3.960 0.000 0.000 0.301 175 G HA3 0.186 4.146 3.960 0.000 0.000 0.301 175 G C -2.142 172.464 174.900 -0.491 0.000 1.539 175 G CA -0.823 43.721 45.100 -0.927 0.000 0.893 175 G HN 0.389 nan 8.290 nan 0.000 0.636 176 D N -0.020 120.195 120.400 -0.309 0.000 2.210 176 D HA 0.702 5.342 4.640 0.000 0.000 0.249 176 D C 0.939 177.234 176.300 -0.008 0.000 1.062 176 D CA 1.502 55.447 54.000 -0.090 0.000 0.891 176 D CB 1.531 42.297 40.800 -0.057 0.000 1.186 176 D HN 1.536 nan 8.370 nan 0.000 0.432 177 G N 1.874 110.725 108.800 0.085 0.000 2.582 177 G HA2 -0.174 3.786 3.960 0.000 0.000 0.222 177 G HA3 -0.174 3.786 3.960 0.000 0.000 0.222 177 G C -0.877 174.153 174.900 0.216 0.000 1.311 177 G CA -0.940 44.238 45.100 0.131 0.000 0.915 177 G HN 0.482 nan 8.290 nan 0.000 0.528 178 N N -0.469 118.300 118.700 0.116 0.000 2.430 178 N HA 0.619 5.360 4.740 0.000 0.000 0.292 178 N C -0.492 174.881 175.510 -0.229 0.000 1.051 178 N CA -0.500 52.505 53.050 -0.076 0.000 0.917 178 N CB 1.809 40.222 38.487 -0.124 0.000 1.164 178 N HN 0.751 nan 8.380 nan 0.000 0.484 179 L N 3.052 123.882 121.223 -0.655 0.000 2.280 179 L HA 0.576 4.916 4.340 0.000 0.000 0.287 179 L C -1.149 175.387 176.870 -0.558 0.000 1.023 179 L CA -0.310 54.008 54.840 -0.871 0.000 0.819 179 L CB 0.234 41.364 42.059 -1.548 0.000 1.212 179 L HN 0.500 nan 8.230 nan 0.000 0.420 180 I N 5.714 126.111 120.570 -0.288 0.000 2.321 180 I HA 0.292 4.462 4.170 0.000 0.000 0.291 180 I C -0.810 175.402 176.117 0.158 0.000 0.998 180 I CA -0.353 60.870 61.300 -0.128 0.000 1.227 180 I CB 0.740 38.688 38.000 -0.087 0.000 1.368 180 I HN 0.373 nan 8.210 nan 0.000 0.466 181 F N 4.423 124.324 119.950 -0.082 0.000 2.404 181 F HA 0.492 5.020 4.527 0.000 0.000 0.354 181 F C 0.734 176.595 175.800 0.102 0.000 1.122 181 F CA -1.098 56.967 58.000 0.110 0.000 1.080 181 F CB 1.681 40.751 39.000 0.116 0.000 1.131 181 F HN 0.409 nan 8.300 nan 0.000 0.471 182 T N -0.761 113.977 114.554 0.307 0.000 2.901 182 T HA 0.470 4.820 4.350 0.000 0.000 0.293 182 T C -0.344 174.489 174.700 0.221 0.000 1.084 182 T CA -1.127 61.087 62.100 0.190 0.000 1.008 182 T CB 1.934 70.856 68.868 0.089 0.000 1.170 182 T HN 0.533 nan 8.240 nan 0.000 0.509 183 K N 0.368 120.858 120.400 0.150 0.000 3.148 183 K HA -0.137 4.183 4.320 0.000 0.000 0.267 183 K C -0.528 176.167 176.600 0.157 0.000 0.996 183 K CA 0.139 56.505 56.287 0.130 0.000 0.737 183 K CB -1.784 30.771 32.500 0.091 0.000 1.308 183 K HN 0.545 nan 8.250 nan 0.000 0.470 184 L N 0.629 121.925 121.223 0.121 0.000 2.312 184 L HA 0.305 4.645 4.340 0.000 0.000 0.281 184 L C 1.314 178.207 176.870 0.039 0.000 1.070 184 L CA -0.261 54.590 54.840 0.019 0.000 0.805 184 L CB 1.175 43.180 42.059 -0.090 0.000 1.174 184 L HN 0.304 nan 8.230 nan 0.000 0.434 185 G N 2.060 110.872 108.800 0.020 0.000 2.569 185 G HA2 0.079 4.039 3.960 0.000 0.000 0.249 185 G HA3 0.079 4.039 3.960 0.000 0.000 0.249 185 G C -0.377 174.543 174.900 0.034 0.000 1.216 185 G CA -0.506 44.611 45.100 0.029 0.000 0.845 185 G HN 0.634 nan 8.290 nan 0.000 0.568 186 K N 0.233 120.659 120.400 0.044 0.000 2.447 186 K HA 0.351 4.671 4.320 0.000 0.000 0.281 186 K C 1.241 177.861 176.600 0.033 0.000 1.031 186 K CA 1.006 57.324 56.287 0.052 0.000 1.019 186 K CB -0.022 32.503 32.500 0.042 0.000 0.918 186 K HN 1.085 nan 8.250 nan 0.000 0.476 187 G N 2.174 111.001 108.800 0.044 0.000 2.184 187 G HA2 -0.215 3.746 3.960 0.000 0.000 0.206 187 G HA3 -0.215 3.746 3.960 0.000 0.000 0.206 187 G C -0.150 174.762 174.900 0.020 0.000 0.995 187 G CA 0.006 45.123 45.100 0.029 0.000 0.651 187 G HN 0.616 nan 8.290 nan 0.000 0.511 188 S N 0.752 116.463 115.700 0.019 0.000 2.572 188 S HA 0.626 5.096 4.470 0.000 0.000 0.279 188 S C 0.532 175.144 174.600 0.019 0.000 1.341 188 S CA 0.083 58.276 58.200 -0.011 0.000 1.043 188 S CB 0.963 64.129 63.200 -0.055 0.000 0.887 188 S HN 0.519 nan 8.310 nan 0.000 0.516 189 R N 1.397 121.894 120.500 -0.005 0.000 2.686 189 R HA 0.579 4.919 4.340 0.000 0.000 0.283 189 R C -1.179 175.137 176.300 0.026 0.000 0.978 189 R CA -0.540 55.570 56.100 0.017 0.000 0.897 189 R CB 1.605 31.860 30.300 -0.074 0.000 1.192 189 R HN 0.508 nan 8.270 nan 0.000 0.457 190 I N 1.848 122.476 120.570 0.097 0.000 2.418 190 I HA 0.504 4.675 4.170 0.000 0.000 0.287 190 I C -0.498 175.701 176.117 0.137 0.000 1.008 190 I CA -0.632 60.743 61.300 0.126 0.000 1.104 190 I CB 2.062 40.177 38.000 0.192 0.000 1.264 190 I HN 0.613 nan 8.210 nan 0.000 0.438 191 A N 3.949 126.831 122.820 0.103 0.000 2.371 191 A HA 0.741 5.062 4.320 0.000 0.000 0.311 191 A C 0.643 178.286 177.584 0.100 0.000 1.068 191 A CA 0.009 52.109 52.037 0.105 0.000 0.744 191 A CB 1.388 20.418 19.000 0.050 0.000 1.239 191 A HN 1.150 nan 8.150 nan 0.000 0.435 192 G N 0.634 109.499 108.800 0.109 0.000 2.153 192 G HA2 -0.049 3.911 3.960 0.000 0.000 0.252 192 G HA3 -0.049 3.911 3.960 0.000 0.000 0.252 192 G C 0.568 175.549 174.900 0.135 0.000 0.994 192 G CA 0.343 45.508 45.100 0.109 0.000 0.698 192 G HN 2.081 nan 8.290 nan 0.000 0.521 193 V N -0.142 119.862 119.914 0.150 0.000 2.788 193 V HA 0.538 4.658 4.120 0.000 0.000 0.307 193 V C 0.120 176.386 176.094 0.286 0.000 1.069 193 V CA 0.318 62.734 62.300 0.194 0.000 1.173 193 V CB 0.909 32.909 31.823 0.295 0.000 0.925 193 V HN 0.661 nan 8.190 nan 0.000 0.492 194 F N 8.056 128.066 119.950 0.101 0.000 2.539 194 F HA 0.638 5.165 4.527 0.000 0.000 0.328 194 F C -0.392 175.517 175.800 0.181 0.000 1.148 194 F CA -1.035 57.053 58.000 0.147 0.000 0.940 194 F CB 1.616 40.660 39.000 0.073 0.000 1.194 194 F HN 0.384 nan 8.300 nan 0.000 0.438 195 M N 4.774 124.400 119.600 0.044 0.000 2.300 195 M HA 0.410 4.891 4.480 0.000 0.000 0.348 195 M C -0.760 175.569 176.300 0.048 0.000 1.151 195 M CA -0.314 55.051 55.300 0.110 0.000 1.046 195 M CB 1.393 33.929 32.600 -0.108 0.000 1.647 195 M HN 0.689 nan 8.290 nan 0.000 0.451 196 E N 1.360 121.692 120.200 0.220 0.000 2.304 196 E HA 0.406 4.757 4.350 0.000 0.000 0.277 196 E C -0.948 175.728 176.600 0.126 0.000 0.898 196 E CA -0.337 56.174 56.400 0.185 0.000 0.764 196 E CB 1.764 31.663 29.700 0.332 0.000 1.216 196 E HN 0.778 nan 8.360 nan 0.000 0.419 197 S N 1.794 117.533 115.700 0.064 0.000 2.600 197 S HA 0.086 4.556 4.470 0.000 0.000 0.265 197 S C 1.135 175.730 174.600 -0.009 0.000 1.325 197 S CA 0.277 58.484 58.200 0.013 0.000 1.002 197 S CB 1.274 64.478 63.200 0.007 0.000 0.921 197 S HN 0.677 nan 8.310 nan 0.000 0.554 198 T N -1.954 112.567 114.554 -0.054 0.000 3.044 198 T HA 0.127 4.477 4.350 0.000 0.000 0.255 198 T C 0.731 175.406 174.700 -0.041 0.000 1.073 198 T CA 0.365 62.432 62.100 -0.055 0.000 1.125 198 T CB -0.600 68.215 68.868 -0.089 0.000 0.908 198 T HN 0.597 nan 8.240 nan 0.000 0.480 199 T N 2.883 117.414 114.554 -0.039 0.000 2.889 199 T HA 0.439 4.789 4.350 0.000 0.000 0.291 199 T C -0.381 174.292 174.700 -0.046 0.000 0.995 199 T CA -0.227 61.851 62.100 -0.038 0.000 1.092 199 T CB 1.273 70.127 68.868 -0.024 0.000 0.954 199 T HN 0.165 nan 8.240 nan 0.000 0.506 200 T N 6.252 120.759 114.554 -0.078 0.000 2.853 200 T HA 0.401 4.751 4.350 0.000 0.000 0.317 200 T C -2.075 172.519 174.700 -0.176 0.000 1.059 200 T CA -1.089 60.940 62.100 -0.118 0.000 0.954 200 T CB 0.933 69.711 68.868 -0.151 0.000 0.994 200 T HN 0.423 nan 8.240 nan 0.000 0.479 201 P HA 0.323 nan 4.420 nan 0.000 0.282 201 P C -0.841 176.330 177.300 -0.216 0.000 1.287 201 P CA -0.885 62.151 63.100 -0.107 0.000 0.792 201 P CB 1.086 32.794 31.700 0.014 0.000 1.163 202 W N 0.348 121.636 121.300 -0.019 0.000 2.322 202 W HA 0.405 5.065 4.660 0.000 0.000 0.307 202 W C 0.112 176.597 176.519 -0.056 0.000 1.220 202 W CA 0.000 57.321 57.345 -0.040 0.000 1.210 202 W CB 0.960 30.398 29.460 -0.036 0.000 1.223 202 W HN 0.123 nan 8.180 nan 0.000 0.511 203 V N 3.491 123.472 119.914 0.113 0.000 2.914 203 V HA 0.715 4.835 4.120 0.000 0.000 0.314 203 V C -0.304 175.737 176.094 -0.088 0.000 1.084 203 V CA -1.552 60.740 62.300 -0.012 0.000 0.963 203 V CB 1.427 33.219 31.823 -0.053 0.000 1.025 203 V HN 0.492 nan 8.190 nan 0.000 0.432 204 I N -0.023 120.397 120.570 -0.249 0.000 2.676 204 I HA 0.708 4.878 4.170 0.000 0.000 0.309 204 I C -0.253 175.647 176.117 -0.361 0.000 0.990 204 I CA -0.779 60.338 61.300 -0.305 0.000 1.168 204 I CB 1.826 39.605 38.000 -0.369 0.000 1.343 204 I HN 0.820 nan 8.210 nan 0.000 0.482 205 K N 4.818 124.989 120.400 -0.381 0.000 2.701 205 K HA 0.444 4.764 4.320 0.000 0.000 0.212 205 K C -2.500 173.783 176.600 -0.527 0.000 1.035 205 K CA -1.490 54.409 56.287 -0.646 0.000 1.048 205 K CB 1.381 33.379 32.500 -0.836 0.000 1.234 205 K HN 0.354 nan 8.250 nan 0.000 0.540 206 P HA 0.026 nan 4.420 nan 0.000 0.286 206 P C -1.532 176.086 177.300 0.530 0.000 1.577 206 P CA 0.184 63.432 63.100 0.247 0.000 0.805 206 P CB -0.651 31.351 31.700 0.504 0.000 1.706 207 W N -1.974 119.380 121.300 0.089 0.000 3.167 207 W HA 0.590 5.250 4.660 0.000 0.000 0.324 207 W C -0.422 176.080 176.519 -0.027 0.000 1.230 207 W CA -0.961 56.375 57.345 -0.016 0.000 1.184 207 W CB 0.162 29.465 29.460 -0.261 0.000 1.414 207 W HN -0.213 nan 8.180 nan 0.000 0.551 208 T N -1.830 112.802 114.554 0.130 0.000 2.849 208 T HA 0.210 4.561 4.350 0.000 0.000 0.276 208 T C 0.471 175.216 174.700 0.074 0.000 0.971 208 T CA -0.081 62.041 62.100 0.037 0.000 0.949 208 T CB 0.983 69.882 68.868 0.053 0.000 1.093 208 T HN 0.525 nan 8.240 nan 0.000 0.545 209 D N 0.129 120.546 120.400 0.029 0.000 2.350 209 D HA -0.031 4.609 4.640 0.000 0.000 0.216 209 D C 0.744 177.070 176.300 0.045 0.000 0.968 209 D CA 0.816 54.839 54.000 0.038 0.000 0.894 209 D CB -0.001 40.806 40.800 0.012 0.000 0.909 209 D HN 0.608 nan 8.370 nan 0.000 0.520 210 D N 0.241 120.667 120.400 0.044 0.000 2.402 210 D HA -0.027 4.613 4.640 0.000 0.000 0.216 210 D C 0.207 176.516 176.300 0.015 0.000 1.128 210 D CA -0.211 53.806 54.000 0.028 0.000 0.833 210 D CB 0.233 41.051 40.800 0.030 0.000 0.971 210 D HN -0.041 nan 8.370 nan 0.000 0.503 211 N N 1.882 120.600 118.700 0.031 0.000 2.735 211 N HA -0.198 4.542 4.740 0.000 0.000 0.248 211 N C -0.823 174.628 175.510 -0.098 0.000 1.083 211 N CA 0.583 53.592 53.050 -0.069 0.000 0.703 211 N CB -1.179 37.175 38.487 -0.222 0.000 1.005 211 N HN 0.364 nan 8.380 nan 0.000 0.550 212 Q N -0.607 119.208 119.800 0.025 0.000 2.230 212 Q HA 0.327 4.667 4.340 0.000 0.000 0.253 212 Q C -0.279 175.823 176.000 0.171 0.000 0.919 212 Q CA -0.640 55.214 55.803 0.085 0.000 0.908 212 Q CB 0.753 29.562 28.738 0.120 0.000 1.245 212 Q HN 0.291 nan 8.270 nan 0.000 0.437 213 W N 2.475 123.907 121.300 0.220 0.000 2.190 213 W HA 0.206 4.866 4.660 0.000 0.000 0.330 213 W C -0.339 176.322 176.519 0.236 0.000 1.299 213 W CA -0.356 57.155 57.345 0.276 0.000 1.215 213 W CB 0.458 30.080 29.460 0.269 0.000 1.147 213 W HN 0.337 nan 8.180 nan 0.000 0.563 214 L N 3.194 124.746 121.223 0.549 0.000 2.289 214 L HA 0.313 4.654 4.340 0.000 0.000 0.285 214 L C 1.144 178.261 176.870 0.411 0.000 1.049 214 L CA -0.238 54.800 54.840 0.331 0.000 0.804 214 L CB 1.395 43.551 42.059 0.162 0.000 1.195 214 L HN 0.626 nan 8.230 nan 0.000 0.428 215 T N -3.394 111.364 114.554 0.340 0.000 2.975 215 T HA 0.058 4.408 4.350 0.000 0.000 0.257 215 T C 0.224 175.112 174.700 0.314 0.000 1.003 215 T CA -0.392 61.946 62.100 0.396 0.000 0.932 215 T CB 0.058 69.121 68.868 0.326 0.000 1.087 215 T HN 0.443 nan 8.240 nan 0.000 0.512 216 D N 1.323 121.836 120.400 0.187 0.000 2.317 216 D HA 0.601 5.241 4.640 0.000 0.000 0.252 216 D C 1.469 177.805 176.300 0.060 0.000 1.174 216 D CA 0.143 54.211 54.000 0.113 0.000 0.866 216 D CB 1.305 42.150 40.800 0.074 0.000 1.127 216 D HN 0.151 nan 8.370 nan 0.000 0.467 217 A N 4.211 127.074 122.820 0.072 0.000 1.917 217 A HA -0.148 4.173 4.320 0.000 0.000 0.219 217 A C 2.149 179.708 177.584 -0.042 0.000 1.182 217 A CA 2.117 54.166 52.037 0.020 0.000 0.633 217 A CB -1.035 17.999 19.000 0.057 0.000 0.819 217 A HN 0.715 nan 8.150 nan 0.000 0.448 218 A N -0.462 122.344 122.820 -0.023 0.000 1.933 218 A HA 0.188 4.509 4.320 0.000 0.000 0.218 218 A C 2.484 180.036 177.584 -0.053 0.000 1.175 218 A CA 2.039 54.053 52.037 -0.038 0.000 0.628 218 A CB -0.923 18.063 19.000 -0.022 0.000 0.814 218 A HN 1.096 nan 8.150 nan 0.000 0.444 219 A N -0.604 122.191 122.820 -0.043 0.000 1.930 219 A HA 0.055 4.376 4.320 0.000 0.000 0.217 219 A C 2.180 179.704 177.584 -0.100 0.000 1.175 219 A CA 1.667 53.674 52.037 -0.050 0.000 0.627 219 A CB -0.748 18.243 19.000 -0.014 0.000 0.815 219 A HN 0.375 nan 8.150 nan 0.000 0.443 220 V N -0.456 119.364 119.914 -0.157 0.000 2.453 220 V HA -0.184 3.936 4.120 0.000 0.000 0.247 220 V C 2.521 178.488 176.094 -0.211 0.000 1.048 220 V CA 1.754 63.897 62.300 -0.262 0.000 1.049 220 V CB -0.684 30.815 31.823 -0.540 0.000 0.672 220 V HN 0.350 nan 8.190 nan 0.000 0.457 221 V N 0.627 120.445 119.914 -0.160 0.000 2.407 221 V HA -0.245 3.875 4.120 0.000 0.000 0.248 221 V C 2.687 178.714 176.094 -0.112 0.000 1.055 221 V CA 1.898 64.122 62.300 -0.128 0.000 1.049 221 V CB -1.080 30.682 31.823 -0.102 0.000 0.662 221 V HN 0.564 nan 8.190 nan 0.000 0.455 222 A N 0.513 123.273 122.820 -0.100 0.000 2.125 222 A HA -0.187 4.133 4.320 0.000 0.000 0.219 222 A C 2.318 179.850 177.584 -0.087 0.000 1.156 222 A CA 2.014 54.002 52.037 -0.082 0.000 0.671 222 A CB -0.738 18.221 19.000 -0.068 0.000 0.794 222 A HN 0.662 nan 8.150 nan 0.000 0.459 223 T N -2.991 111.491 114.554 -0.119 0.000 3.129 223 T HA 0.239 4.589 4.350 0.000 0.000 0.251 223 T C 0.497 175.137 174.700 -0.099 0.000 1.117 223 T CA -0.302 61.715 62.100 -0.139 0.000 1.034 223 T CB -0.471 68.264 68.868 -0.220 0.000 0.968 223 T HN 0.040 nan 8.240 nan 0.000 0.526 224 L N 3.276 124.468 121.223 -0.051 0.000 2.578 224 L HA 0.281 4.622 4.340 0.000 0.000 0.279 224 L C 0.304 177.293 176.870 0.198 0.000 1.227 224 L CA 0.675 55.552 54.840 0.062 0.000 0.900 224 L CB -0.205 41.866 42.059 0.021 0.000 1.144 224 L HN 0.625 nan 8.230 nan 0.000 0.496 225 K N 3.026 123.572 120.400 0.243 0.000 2.579 225 K HA 0.483 4.803 4.320 0.000 0.000 0.284 225 K C -1.286 175.210 176.600 -0.173 0.000 0.990 225 K CA -0.953 55.394 56.287 0.101 0.000 0.880 225 K CB 1.187 33.665 32.500 -0.037 0.000 1.488 225 K HN 0.395 nan 8.250 nan 0.000 0.425 226 Q N 1.212 120.681 119.800 -0.553 0.000 2.331 226 Q HA 0.396 4.736 4.340 0.000 0.000 0.257 226 Q C -1.156 174.634 176.000 -0.351 0.000 0.957 226 Q CA -0.458 54.917 55.803 -0.712 0.000 0.923 226 Q CB 1.724 29.892 28.738 -0.950 0.000 1.212 226 Q HN 0.599 nan 8.270 nan 0.000 0.443 227 S N 1.604 117.154 115.700 -0.249 0.000 2.567 227 S HA 0.260 4.730 4.470 0.000 0.000 0.270 227 S C -0.621 173.917 174.600 -0.104 0.000 1.152 227 S CA -0.680 57.428 58.200 -0.153 0.000 0.835 227 S CB 1.137 64.259 63.200 -0.129 0.000 1.115 227 S HN 0.617 nan 8.310 nan 0.000 0.459 228 K N 1.101 121.465 120.400 -0.060 0.000 2.387 228 K HA 0.254 4.574 4.320 0.000 0.000 0.198 228 K C 0.288 176.888 176.600 0.001 0.000 1.022 228 K CA 0.079 56.357 56.287 -0.016 0.000 1.128 228 K CB 0.713 33.223 32.500 0.016 0.000 0.853 228 K HN 0.551 nan 8.250 nan 0.000 0.523 229 T N -0.875 113.647 114.554 -0.052 0.000 2.661 229 T HA 0.056 4.406 4.350 0.000 0.000 0.305 229 T C -1.572 172.949 174.700 -0.298 0.000 1.441 229 T CA -0.426 61.602 62.100 -0.120 0.000 0.999 229 T CB 1.105 69.982 68.868 0.014 0.000 1.650 229 T HN 0.183 nan 8.240 nan 0.000 0.489 230 D N -0.503 119.475 120.400 -0.704 0.000 2.699 230 D HA 0.069 4.709 4.640 0.000 0.000 0.239 230 D C -0.058 176.026 176.300 -0.359 0.000 1.136 230 D CA 2.890 56.541 54.000 -0.581 0.000 0.668 230 D CB -1.288 39.430 40.800 -0.137 0.000 1.060 230 D HN 1.204 nan 8.370 nan 0.000 0.429 231 G N -0.949 107.634 108.800 -0.361 0.000 2.341 231 G HA2 0.493 4.454 3.960 0.000 0.000 0.293 231 G HA3 0.493 4.454 3.960 0.000 0.000 0.293 231 G C -1.495 173.517 174.900 0.186 0.000 1.298 231 G CA -0.291 44.811 45.100 0.004 0.000 0.868 231 G HN 0.802 nan 8.290 nan 0.000 0.540 232 Y N -1.785 118.584 120.300 0.115 0.000 2.597 232 Y HA 0.789 5.339 4.550 0.000 0.000 0.340 232 Y C -0.348 175.627 175.900 0.125 0.000 1.097 232 Y CA -1.393 56.791 58.100 0.139 0.000 1.037 232 Y CB 0.872 39.461 38.460 0.215 0.000 1.305 232 Y HN 0.630 nan 8.280 nan 0.000 0.463 233 Q N 3.457 123.396 119.800 0.232 0.000 2.297 233 Q HA 0.304 4.645 4.340 0.000 0.000 0.267 233 Q C -2.459 173.668 176.000 0.212 0.000 1.006 233 Q CA -1.704 54.192 55.803 0.155 0.000 0.896 233 Q CB 0.496 29.331 28.738 0.162 0.000 1.186 233 Q HN 0.388 nan 8.270 nan 0.000 0.392 234 P HA -0.063 nan 4.420 nan 0.000 0.267 234 P C -0.584 176.803 177.300 0.146 0.000 1.200 234 P CA 0.192 63.385 63.100 0.156 0.000 0.772 234 P CB 0.782 32.559 31.700 0.129 0.000 0.855 235 T N -2.434 112.175 114.554 0.092 0.000 2.858 235 T HA 0.318 4.668 4.350 0.000 0.000 0.285 235 T C 1.142 175.566 174.700 -0.459 0.000 1.052 235 T CA -0.343 61.711 62.100 -0.077 0.000 1.009 235 T CB 0.601 69.469 68.868 0.001 0.000 1.241 235 T HN 0.132 nan 8.240 nan 0.000 0.542 236 V N -0.634 118.988 119.914 -0.486 0.000 2.594 236 V HA -0.049 4.071 4.120 0.000 0.000 0.253 236 V C 2.303 178.141 176.094 -0.428 0.000 1.069 236 V CA 1.975 63.845 62.300 -0.716 0.000 1.082 236 V CB -1.647 30.026 31.823 -0.250 0.000 0.680 236 V HN 0.825 nan 8.190 nan 0.000 0.469 237 S N 0.493 116.073 115.700 -0.200 0.000 2.402 237 S HA -0.159 4.311 4.470 0.000 0.000 0.229 237 S C 1.677 176.415 174.600 0.230 0.000 1.021 237 S CA 1.493 59.690 58.200 -0.004 0.000 0.974 237 S CB -0.535 62.567 63.200 -0.164 0.000 0.800 237 S HN 0.705 nan 8.310 nan 0.000 0.484 238 D N 0.434 120.931 120.400 0.162 0.000 2.218 238 D HA -0.081 4.559 4.640 0.000 0.000 0.204 238 D C 1.319 177.851 176.300 0.386 0.000 0.976 238 D CA 0.904 55.111 54.000 0.345 0.000 0.853 238 D CB -0.150 40.922 40.800 0.453 0.000 0.939 238 D HN 0.406 nan 8.370 nan 0.000 0.481 239 Y N 0.661 121.076 120.300 0.191 0.000 2.333 239 Y HA -0.095 4.455 4.550 0.000 0.000 0.290 239 Y C 2.506 178.454 175.900 0.079 0.000 1.144 239 Y CA -0.103 58.072 58.100 0.125 0.000 1.228 239 Y CB -0.950 37.562 38.460 0.088 0.000 0.985 239 Y HN -0.123 nan 8.280 nan 0.000 0.542 240 V N -0.403 119.646 119.914 0.224 0.000 2.500 240 V HA -0.143 3.977 4.120 0.000 0.000 0.243 240 V C 2.357 178.398 176.094 -0.088 0.000 1.039 240 V CA 1.588 63.953 62.300 0.109 0.000 1.053 240 V CB -0.391 31.553 31.823 0.202 0.000 0.695 240 V HN 0.115 nan 8.190 nan 0.000 0.463 241 K N 0.828 121.109 120.400 -0.199 0.000 2.057 241 K HA -0.083 4.237 4.320 0.000 0.000 0.207 241 K C 0.281 176.379 176.600 -0.836 0.000 1.049 241 K CA 1.582 57.403 56.287 -0.777 0.000 0.931 241 K CB -0.211 31.655 32.500 -1.056 0.000 0.714 241 K HN 0.408 nan 8.250 nan 0.000 0.440 242 F N 2.516 122.430 119.950 -0.061 0.000 2.366 242 F HA 0.341 4.868 4.527 0.000 0.000 0.357 242 F C -2.244 173.554 175.800 -0.003 0.000 1.107 242 F CA -3.012 54.965 58.000 -0.039 0.000 1.208 242 F CB 0.930 39.942 39.000 0.020 0.000 1.464 242 F HN -0.077 nan 8.300 nan 0.000 0.501 243 P HA 0.059 nan 4.420 nan 0.000 0.258 243 P C 0.939 178.275 177.300 0.060 0.000 1.172 243 P CA 1.286 64.415 63.100 0.049 0.000 0.762 243 P CB 0.899 32.593 31.700 -0.009 0.000 0.764 244 G N 3.549 112.375 108.800 0.042 0.000 2.194 244 G HA2 -0.317 3.643 3.960 0.000 0.000 0.236 244 G HA3 -0.317 3.643 3.960 0.000 0.000 0.236 244 G C 0.790 175.689 174.900 -0.002 0.000 0.987 244 G CA 0.134 45.239 45.100 0.007 0.000 0.635 244 G HN 0.536 nan 8.290 nan 0.000 0.520 245 I N 0.966 121.569 120.570 0.054 0.000 2.454 245 I HA -0.018 4.152 4.170 0.000 0.000 0.254 245 I C 2.389 178.472 176.117 -0.057 0.000 1.156 245 I CA 2.235 63.562 61.300 0.046 0.000 1.433 245 I CB -0.035 38.067 38.000 0.169 0.000 1.082 245 I HN 0.495 nan 8.210 nan 0.000 0.432 246 E N 0.165 120.242 120.200 -0.206 0.000 2.118 246 E HA -0.288 4.062 4.350 0.000 0.000 0.195 246 E C 1.898 178.315 176.600 -0.305 0.000 0.992 246 E CA 2.049 58.112 56.400 -0.562 0.000 0.804 246 E CB -0.054 29.130 29.700 -0.861 0.000 0.741 246 E HN 0.635 nan 8.360 nan 0.000 0.458 247 T N -1.821 112.622 114.554 -0.184 0.000 3.067 247 T HA 0.066 4.416 4.350 0.000 0.000 0.257 247 T C 1.836 176.477 174.700 -0.099 0.000 1.105 247 T CA 0.245 62.269 62.100 -0.128 0.000 1.104 247 T CB -0.029 68.783 68.868 -0.093 0.000 0.925 247 T HN 0.126 nan 8.240 nan 0.000 0.498 248 L N -0.087 121.082 121.223 -0.089 0.000 2.307 248 L HA 0.396 4.737 4.340 0.000 0.000 0.211 248 L C 0.948 177.765 176.870 -0.090 0.000 1.099 248 L CA 0.003 54.796 54.840 -0.077 0.000 0.816 248 L CB -0.281 41.742 42.059 -0.061 0.000 0.952 248 L HN 0.211 nan 8.230 nan 0.000 0.455 249 L N 2.432 123.602 121.223 -0.089 0.000 2.453 249 L HA 0.123 4.463 4.340 0.000 0.000 0.272 249 L C -1.795 175.006 176.870 -0.116 0.000 1.182 249 L CA -1.557 53.227 54.840 -0.093 0.000 0.858 249 L CB 0.205 42.239 42.059 -0.043 0.000 1.120 249 L HN -0.119 nan 8.230 nan 0.000 0.474 250 P HA 0.120 nan 4.420 nan 0.000 0.274 250 P C -2.201 175.005 177.300 -0.157 0.000 1.231 250 P CA -1.535 61.456 63.100 -0.183 0.000 0.790 250 P CB 0.382 31.912 31.700 -0.282 0.000 0.951 251 P HA -0.209 nan 4.420 nan 0.000 0.217 251 P C 0.883 178.138 177.300 -0.075 0.000 1.148 251 P CA 1.721 64.774 63.100 -0.078 0.000 0.828 251 P CB -0.357 31.307 31.700 -0.060 0.000 0.783 252 N N 0.346 118.964 118.700 -0.138 0.000 2.550 252 N HA -0.011 4.729 4.740 0.000 0.000 0.186 252 N C 1.440 176.896 175.510 -0.090 0.000 1.110 252 N CA 1.110 54.099 53.050 -0.102 0.000 0.912 252 N CB -1.173 37.241 38.487 -0.121 0.000 0.968 252 N HN 0.122 nan 8.380 nan 0.000 0.448 253 A N -0.597 122.130 122.820 -0.155 0.000 2.267 253 A HA 0.193 4.513 4.320 0.000 0.000 0.213 253 A C 0.453 178.069 177.584 0.053 0.000 1.192 253 A CA -0.092 51.916 52.037 -0.048 0.000 0.851 253 A CB 0.041 18.957 19.000 -0.140 0.000 0.881 253 A HN 0.189 nan 8.150 nan 0.000 0.494 254 K N -1.009 119.421 120.400 0.050 0.000 2.123 254 K HA 0.496 4.817 4.320 0.000 0.000 0.259 254 K C 0.801 177.466 176.600 0.108 0.000 0.960 254 K CA 0.166 56.521 56.287 0.114 0.000 0.872 254 K CB 1.184 33.751 32.500 0.111 0.000 1.079 254 K HN 0.421 nan 8.250 nan 0.000 0.440 255 G N 1.720 110.595 108.800 0.126 0.000 2.198 255 G HA2 -0.314 3.646 3.960 0.000 0.000 0.260 255 G HA3 -0.314 3.646 3.960 0.000 0.000 0.260 255 G C -0.244 174.705 174.900 0.083 0.000 1.025 255 G CA 0.117 45.274 45.100 0.096 0.000 0.769 255 G HN 0.582 nan 8.290 nan 0.000 0.507 256 Q N -0.406 119.451 119.800 0.095 0.000 2.340 256 Q HA 0.401 4.741 4.340 0.000 0.000 0.249 256 Q C 0.615 176.662 176.000 0.077 0.000 0.957 256 Q CA -0.028 55.830 55.803 0.092 0.000 0.882 256 Q CB 0.702 29.509 28.738 0.116 0.000 1.235 256 Q HN 0.384 nan 8.270 nan 0.000 0.439 257 N N 2.409 121.147 118.700 0.063 0.000 2.664 257 N HA 0.155 4.895 4.740 0.000 0.000 0.287 257 N C -1.248 174.287 175.510 0.041 0.000 1.869 257 N CA -0.062 53.018 53.050 0.050 0.000 0.832 257 N CB 0.573 39.083 38.487 0.039 0.000 1.293 257 N HN 0.427 nan 8.380 nan 0.000 0.498 258 I N 2.035 122.633 120.570 0.046 0.000 2.312 258 I HA 0.323 4.493 4.170 0.000 0.000 0.291 258 I C -0.010 176.124 176.117 0.029 0.000 1.031 258 I CA 0.064 61.383 61.300 0.033 0.000 1.293 258 I CB 0.687 38.706 38.000 0.030 0.000 1.403 258 I HN 0.118 nan 8.210 nan 0.000 0.484 259 T N 3.475 118.038 114.554 0.015 0.000 3.041 259 T HA 0.161 4.511 4.350 0.000 0.000 0.321 259 T C -0.336 174.364 174.700 0.001 0.000 1.184 259 T CA -0.584 61.514 62.100 -0.003 0.000 1.050 259 T CB 1.926 70.779 68.868 -0.024 0.000 1.159 259 T HN 0.473 nan 8.240 nan 0.000 0.469 260 S N 2.326 118.022 115.700 -0.008 0.000 2.434 260 S HA 0.546 5.016 4.470 0.000 0.000 0.318 260 S C -0.340 174.201 174.600 -0.098 0.000 1.062 260 S CA -0.387 57.857 58.200 0.072 0.000 1.116 260 S CB -0.141 63.126 63.200 0.111 0.000 0.977 260 S HN 0.658 nan 8.310 nan 0.000 0.480 261 T N 5.639 120.117 114.554 -0.126 0.000 2.797 261 T HA 0.401 4.751 4.350 0.000 0.000 0.279 261 T C -0.649 173.768 174.700 -0.470 0.000 0.991 261 T CA -0.473 61.423 62.100 -0.340 0.000 0.979 261 T CB 1.113 69.829 68.868 -0.252 0.000 0.943 261 T HN 0.534 nan 8.240 nan 0.000 0.444 262 L N 3.717 124.574 121.223 -0.611 0.000 2.261 262 L HA 0.443 4.783 4.340 0.000 0.000 0.289 262 L C 0.139 176.683 176.870 -0.543 0.000 1.059 262 L CA -0.155 54.311 54.840 -0.623 0.000 0.816 262 L CB 0.457 42.229 42.059 -0.479 0.000 1.191 262 L HN 0.659 nan 8.230 nan 0.000 0.431 263 E N 5.765 125.658 120.200 -0.511 0.000 2.133 263 E HA 0.326 4.677 4.350 0.000 0.000 0.274 263 E C -1.185 175.211 176.600 -0.341 0.000 0.930 263 E CA -0.773 55.390 56.400 -0.395 0.000 0.770 263 E CB 0.946 30.479 29.700 -0.278 0.000 1.104 263 E HN 0.512 nan 8.360 nan 0.000 0.403 264 I N 5.005 125.355 120.570 -0.367 0.000 2.304 264 I HA 0.297 4.467 4.170 0.000 0.000 0.291 264 I C 0.203 176.276 176.117 -0.073 0.000 1.018 264 I CA -0.310 60.881 61.300 -0.182 0.000 1.260 264 I CB 0.952 38.802 38.000 -0.249 0.000 1.390 264 I HN 0.573 nan 8.210 nan 0.000 0.475 265 R N 5.670 126.176 120.500 0.010 0.000 2.387 265 R HA 0.305 4.645 4.340 0.000 0.000 0.314 265 R C -0.219 176.121 176.300 0.066 0.000 0.958 265 R CA -0.301 55.812 56.100 0.022 0.000 0.846 265 R CB 0.737 31.040 30.300 0.004 0.000 1.147 265 R HN 0.626 nan 8.270 nan 0.000 0.447 266 E N 1.479 121.722 120.200 0.071 0.000 2.228 266 E HA -0.266 4.084 4.350 0.000 0.000 0.213 266 E C -1.014 175.665 176.600 0.131 0.000 1.282 266 E CA 0.523 56.982 56.400 0.099 0.000 0.707 266 E CB -1.192 28.555 29.700 0.079 0.000 1.150 266 E HN 0.497 nan 8.360 nan 0.000 0.362 267 C N -0.031 119.363 119.300 0.157 0.000 2.595 267 C HA 0.776 5.236 4.460 0.000 0.000 0.338 267 C C 0.458 175.581 174.990 0.221 0.000 1.219 267 C CA -0.686 58.437 59.018 0.174 0.000 1.811 267 C CB 1.031 28.873 27.740 0.170 0.000 2.313 267 C HN 0.373 nan 8.230 nan 0.000 0.499 268 I N 1.116 121.818 120.570 0.220 0.000 2.582 268 I HA 0.510 4.680 4.170 0.000 0.000 0.292 268 I C 0.749 177.008 176.117 0.236 0.000 1.066 268 I CA 0.056 61.525 61.300 0.281 0.000 1.053 268 I CB 1.703 39.876 38.000 0.289 0.000 1.241 268 I HN 0.968 nan 8.210 nan 0.000 0.421 269 G N 4.290 113.260 108.800 0.284 0.000 2.246 269 G HA2 -0.169 3.791 3.960 0.000 0.000 0.273 269 G HA3 -0.169 3.791 3.960 0.000 0.000 0.273 269 G C -0.384 174.623 174.900 0.178 0.000 1.055 269 G CA -0.183 45.045 45.100 0.213 0.000 0.851 269 G HN 0.400 nan 8.290 nan 0.000 0.500 270 V N -0.041 120.003 119.914 0.216 0.000 2.435 270 V HA 0.595 4.716 4.120 0.000 0.000 0.290 270 V C 0.248 176.502 176.094 0.267 0.000 1.030 270 V CA -0.635 61.794 62.300 0.214 0.000 0.881 270 V CB 1.825 33.785 31.823 0.228 0.000 0.983 270 V HN 0.425 nan 8.190 nan 0.000 0.445 271 E N 2.883 123.234 120.200 0.252 0.000 2.222 271 E HA 0.615 4.965 4.350 0.000 0.000 0.267 271 E C -1.528 175.291 176.600 0.366 0.000 0.884 271 E CA -0.723 55.862 56.400 0.308 0.000 0.764 271 E CB 2.784 32.705 29.700 0.367 0.000 1.169 271 E HN 0.403 nan 8.360 nan 0.000 0.413 272 V N 3.678 123.789 119.914 0.329 0.000 2.357 272 V HA 0.239 4.359 4.120 0.000 0.000 0.284 272 V C -0.435 175.747 176.094 0.147 0.000 1.018 272 V CA -0.607 61.846 62.300 0.255 0.000 0.841 272 V CB 0.911 32.861 31.823 0.212 0.000 0.991 272 V HN 0.637 nan 8.190 nan 0.000 0.437 273 H N 4.806 123.899 119.070 0.038 0.000 2.469 273 H HA 0.485 5.041 4.556 0.000 0.000 0.342 273 H C 0.134 175.466 175.328 0.007 0.000 1.115 273 H CA -0.824 55.238 56.048 0.023 0.000 1.204 273 H CB 1.369 31.152 29.762 0.035 0.000 1.492 273 H HN 0.551 nan 8.280 nan 0.000 0.499 274 R N 0.235 120.781 120.500 0.075 0.000 3.405 274 R HA -0.171 4.169 4.340 0.000 0.000 0.258 274 R C -0.222 176.097 176.300 0.033 0.000 1.030 274 R CA 0.299 56.434 56.100 0.058 0.000 0.691 274 R CB -1.496 28.862 30.300 0.096 0.000 1.093 274 R HN 0.604 nan 8.270 nan 0.000 0.448 275 A N 0.414 123.191 122.820 -0.072 0.000 2.351 275 A HA 0.622 4.942 4.320 0.000 0.000 0.257 275 A C 0.522 178.068 177.584 -0.063 0.000 1.087 275 A CA 0.335 52.289 52.037 -0.138 0.000 0.798 275 A CB 1.430 20.057 19.000 -0.621 0.000 1.033 275 A HN 0.310 nan 8.150 nan 0.000 0.488 276 S N -0.913 114.821 115.700 0.057 0.000 2.819 276 S HA 0.894 5.364 4.470 0.000 0.000 0.299 276 S C -0.262 174.153 174.600 -0.308 0.000 1.192 276 S CA 0.295 58.496 58.200 0.001 0.000 0.847 276 S CB 1.454 64.732 63.200 0.129 0.000 1.224 276 S HN 2.511 nan 8.310 nan 0.000 0.537 277 G N -0.009 108.338 108.800 -0.756 0.000 2.356 277 G HA2 0.344 4.304 3.960 0.000 0.000 0.300 277 G HA3 0.344 4.304 3.960 0.000 0.000 0.300 277 G C -2.531 172.080 174.900 -0.481 0.000 1.331 277 G CA -0.758 43.625 45.100 -1.196 0.000 0.905 277 G HN 0.796 nan 8.290 nan 0.000 0.587 278 L N 0.698 121.767 121.223 -0.256 0.000 2.406 278 L HA 0.553 4.893 4.340 0.000 0.000 0.272 278 L C 0.678 177.554 176.870 0.012 0.000 0.980 278 L CA -0.886 53.957 54.840 0.005 0.000 0.831 278 L CB 1.793 43.927 42.059 0.125 0.000 1.253 278 L HN 0.709 nan 8.230 nan 0.000 0.406 279 M N 1.000 120.624 119.600 0.041 0.000 2.461 279 M HA -0.187 4.293 4.480 0.000 0.000 0.203 279 M C -0.021 176.270 176.300 -0.014 0.000 0.428 279 M CA 0.719 56.041 55.300 0.036 0.000 0.509 279 M CB -1.878 30.741 32.600 0.033 0.000 1.851 279 M HN 0.722 nan 8.290 nan 0.000 0.834 280 A N -0.082 122.711 122.820 -0.045 0.000 2.304 280 A HA 0.847 5.167 4.320 0.000 0.000 0.301 280 A C 0.788 178.239 177.584 -0.221 0.000 1.132 280 A CA 0.351 52.285 52.037 -0.172 0.000 0.819 280 A CB 1.090 19.985 19.000 -0.176 0.000 1.094 280 A HN 0.777 nan 8.150 nan 0.000 0.492 281 G N -0.247 108.250 108.800 -0.504 0.000 2.659 281 G HA2 0.643 4.603 3.960 0.000 0.000 0.296 281 G HA3 0.643 4.603 3.960 0.000 0.000 0.296 281 G C -1.494 172.855 174.900 -0.918 0.000 1.369 281 G CA -0.440 44.393 45.100 -0.445 0.000 0.937 281 G HN 0.438 nan 8.290 nan 0.000 0.485 282 F N 0.743 120.596 119.950 -0.162 0.000 2.539 282 F HA 0.527 5.054 4.527 0.000 0.000 0.328 282 F C -0.404 175.197 175.800 -0.332 0.000 1.148 282 F CA -0.830 57.010 58.000 -0.268 0.000 0.940 282 F CB 2.478 41.364 39.000 -0.190 0.000 1.194 282 F HN 0.386 nan 8.300 nan 0.000 0.438 283 L N 4.579 125.593 121.223 -0.348 0.000 2.349 283 L HA 0.665 5.005 4.340 0.000 0.000 0.278 283 L C -1.757 174.827 176.870 -0.477 0.000 0.996 283 L CA -0.521 54.119 54.840 -0.332 0.000 0.825 283 L CB 0.666 42.572 42.059 -0.256 0.000 1.243 283 L HN 0.365 nan 8.230 nan 0.000 0.412 284 F N 4.703 124.464 119.950 -0.315 0.000 2.334 284 F HA 0.526 5.053 4.527 0.000 0.000 0.367 284 F C 0.464 176.185 175.800 -0.131 0.000 1.115 284 F CA -0.369 57.516 58.000 -0.192 0.000 1.116 284 F CB 0.914 39.798 39.000 -0.193 0.000 1.230 284 F HN 0.438 nan 8.300 nan 0.000 0.484 285 R N 1.928 122.430 120.500 0.004 0.000 2.265 285 R HA 0.513 4.853 4.340 0.000 0.000 0.328 285 R C 0.826 177.125 176.300 -0.002 0.000 0.969 285 R CA 0.073 56.157 56.100 -0.026 0.000 0.832 285 R CB 0.898 31.157 30.300 -0.068 0.000 1.139 285 R HN 0.883 nan 8.270 nan 0.000 0.457 286 G N 2.988 111.771 108.800 -0.029 0.000 2.198 286 G HA2 -0.291 3.669 3.960 0.000 0.000 0.260 286 G HA3 -0.291 3.669 3.960 0.000 0.000 0.260 286 G C -0.040 174.825 174.900 -0.058 0.000 1.025 286 G CA 0.252 45.328 45.100 -0.041 0.000 0.769 286 G HN 0.627 nan 8.290 nan 0.000 0.507 287 C N -0.805 118.451 119.300 -0.073 0.000 2.335 287 C HA 0.858 5.318 4.460 0.000 0.000 0.363 287 C C 0.413 175.165 174.990 -0.397 0.000 1.198 287 C CA -0.551 58.451 59.018 -0.027 0.000 2.279 287 C CB 1.034 28.912 27.740 0.230 0.000 2.334 287 C HN 0.601 nan 8.230 nan 0.000 0.559 288 H N -1.295 117.805 119.070 0.050 0.000 2.930 288 H HA 0.477 5.033 4.556 0.000 0.000 0.371 288 H C -0.340 174.957 175.328 -0.052 0.000 1.169 288 H CA -0.654 55.288 56.048 -0.177 0.000 1.157 288 H CB 0.600 30.246 29.762 -0.192 0.000 1.789 288 H HN 0.576 nan 8.280 nan 0.000 0.547 289 F N -0.963 119.057 119.950 0.118 0.000 3.091 289 F HA -0.279 4.248 4.527 0.000 0.000 0.288 289 F C -0.308 175.541 175.800 0.082 0.000 0.907 289 F CA -0.106 57.949 58.000 0.092 0.000 1.028 289 F CB -2.258 36.807 39.000 0.107 0.000 1.022 289 F HN 0.338 nan 8.300 nan 0.000 0.665 290 C N 0.580 119.934 119.300 0.089 0.000 2.397 290 C HA 0.787 5.247 4.460 0.000 0.000 0.343 290 C C 0.430 175.399 174.990 -0.035 0.000 1.188 290 C CA -1.104 57.967 59.018 0.088 0.000 1.992 290 C CB 1.982 29.809 27.740 0.145 0.000 2.358 290 C HN 0.334 nan 8.230 nan 0.000 0.518 291 K N 1.432 121.843 120.400 0.018 0.000 2.469 291 K HA 0.593 4.913 4.320 0.000 0.000 0.254 291 K C -1.220 175.383 176.600 0.004 0.000 0.939 291 K CA -0.697 55.599 56.287 0.015 0.000 0.812 291 K CB 1.969 34.485 32.500 0.026 0.000 1.301 291 K HN 0.444 nan 8.250 nan 0.000 0.433 292 M N 3.079 122.686 119.600 0.011 0.000 2.044 292 M HA 0.252 4.732 4.480 0.000 0.000 0.333 292 M C -1.729 174.524 176.300 -0.078 0.000 1.004 292 M CA -0.630 54.667 55.300 -0.005 0.000 0.954 292 M CB 1.058 33.654 32.600 -0.006 0.000 1.468 292 M HN 0.335 nan 8.290 nan 0.000 0.414 293 V N 5.030 124.821 119.914 -0.206 0.000 2.459 293 V HA 0.399 4.519 4.120 0.000 0.000 0.295 293 V C -0.206 175.780 176.094 -0.180 0.000 1.029 293 V CA -0.652 61.481 62.300 -0.279 0.000 0.874 293 V CB 1.646 33.069 31.823 -0.665 0.000 0.985 293 V HN 0.877 nan 8.190 nan 0.000 0.438 294 D N 2.248 122.615 120.400 -0.055 0.000 2.686 294 D HA -0.183 4.457 4.640 0.000 0.000 0.235 294 D C 0.660 176.970 176.300 0.017 0.000 1.160 294 D CA 1.181 55.188 54.000 0.010 0.000 0.645 294 D CB -0.610 40.201 40.800 0.020 0.000 1.039 294 D HN 0.994 nan 8.370 nan 0.000 0.423 295 A N 0.885 123.721 122.820 0.025 0.000 2.566 295 A HA 0.016 4.336 4.320 0.000 0.000 0.245 295 A C 1.034 178.641 177.584 0.039 0.000 1.056 295 A CA 0.210 52.246 52.037 -0.001 0.000 0.757 295 A CB 0.166 19.192 19.000 0.044 0.000 0.979 295 A HN 0.239 nan 8.150 nan 0.000 0.508 296 N N 2.635 121.352 118.700 0.028 0.000 3.303 296 N HA -0.025 4.715 4.740 0.000 0.000 0.304 296 N C 0.318 175.870 175.510 0.070 0.000 1.302 296 N CA 0.381 53.465 53.050 0.057 0.000 1.213 296 N CB -1.112 37.421 38.487 0.077 0.000 1.481 296 N HN 0.777 nan 8.380 nan 0.000 0.546 297 N N 0.240 118.979 118.700 0.064 0.000 2.714 297 N HA -0.133 4.607 4.740 0.000 0.000 0.253 297 N C -2.361 173.207 175.510 0.097 0.000 1.024 297 N CA -0.237 52.855 53.050 0.070 0.000 0.726 297 N CB -0.013 38.507 38.487 0.054 0.000 0.908 297 N HN 0.370 nan 8.380 nan 0.000 0.542 298 P HA 0.034 nan 4.420 nan 0.000 0.271 298 P C -0.484 176.907 177.300 0.152 0.000 1.218 298 P CA 0.042 63.212 63.100 0.115 0.000 0.780 298 P CB 1.431 33.264 31.700 0.222 0.000 0.901 299 S N 1.619 117.412 115.700 0.155 0.000 2.422 299 S HA 0.501 4.971 4.470 0.000 0.000 0.298 299 S C 0.631 175.352 174.600 0.202 0.000 1.118 299 S CA -0.549 57.807 58.200 0.260 0.000 1.083 299 S CB -0.278 63.103 63.200 0.302 0.000 0.971 299 S HN 0.590 nan 8.310 nan 0.000 0.478 300 G N 3.152 112.090 108.800 0.230 0.000 2.606 300 G HA2 0.512 4.472 3.960 0.000 0.000 0.252 300 G HA3 0.512 4.472 3.960 0.000 0.000 0.252 300 G C 0.531 175.518 174.900 0.146 0.000 1.206 300 G CA -0.135 45.065 45.100 0.167 0.000 0.861 300 G HN 0.874 nan 8.290 nan 0.000 0.561 301 G N -0.824 108.031 108.800 0.092 0.000 2.940 301 G HA2 0.334 4.294 3.960 0.000 0.000 0.164 301 G HA3 0.334 4.294 3.960 0.000 0.000 0.164 301 G C 1.033 175.991 174.900 0.097 0.000 1.326 301 G CA -0.183 44.966 45.100 0.081 0.000 1.020 301 G HN 0.514 nan 8.290 nan 0.000 0.586 302 K N -0.050 120.395 120.400 0.076 0.000 2.103 302 K HA -0.002 4.318 4.320 0.000 0.000 0.204 302 K C 0.215 176.853 176.600 0.062 0.000 1.052 302 K CA 0.765 57.102 56.287 0.084 0.000 0.945 302 K CB -0.249 32.294 32.500 0.070 0.000 0.722 302 K HN 0.364 nan 8.250 nan 0.000 0.443 303 D N -0.473 119.948 120.400 0.035 0.000 2.451 303 D HA 0.161 4.801 4.640 0.000 0.000 0.259 303 D C 0.048 176.367 176.300 0.031 0.000 1.201 303 D CA -0.145 53.870 54.000 0.024 0.000 1.028 303 D CB 0.351 41.143 40.800 -0.013 0.000 1.095 303 D HN 0.137 nan 8.370 nan 0.000 0.539 304 G N -0.099 108.723 108.800 0.036 0.000 2.414 304 G HA2 0.117 4.077 3.960 0.000 0.000 0.236 304 G HA3 0.117 4.077 3.960 0.000 0.000 0.236 304 G C 1.280 176.202 174.900 0.036 0.000 1.293 304 G CA -0.276 44.853 45.100 0.048 0.000 0.869 304 G HN 0.430 nan 8.290 nan 0.000 0.556 305 I N 1.006 121.622 120.570 0.076 0.000 2.286 305 I HA 0.038 4.208 4.170 0.000 0.000 0.245 305 I C 0.671 176.881 176.117 0.154 0.000 1.104 305 I CA 1.115 62.492 61.300 0.128 0.000 1.397 305 I CB -0.148 37.965 38.000 0.188 0.000 1.072 305 I HN 0.270 nan 8.210 nan 0.000 0.417 306 I N 0.452 121.057 120.570 0.059 0.000 2.468 306 I HA 0.257 4.427 4.170 0.000 0.000 0.285 306 I C -0.920 175.081 176.117 -0.194 0.000 1.039 306 I CA -0.161 61.113 61.300 -0.044 0.000 1.074 306 I CB 1.894 39.827 38.000 -0.112 0.000 1.228 306 I HN -0.145 nan 8.210 nan 0.000 0.436 307 T N 5.679 120.073 114.554 -0.267 0.000 2.848 307 T HA 0.545 4.895 4.350 0.000 0.000 0.285 307 T C -0.769 173.652 174.700 -0.466 0.000 0.995 307 T CA -0.398 61.519 62.100 -0.305 0.000 0.970 307 T CB 1.084 69.846 68.868 -0.177 0.000 0.976 307 T HN 0.099 nan 8.240 nan 0.000 0.441 308 F N 2.373 122.149 119.950 -0.290 0.000 2.325 308 F HA 0.379 4.906 4.527 0.000 0.000 0.369 308 F C 0.640 176.342 175.800 -0.164 0.000 1.095 308 F CA -0.858 57.009 58.000 -0.222 0.000 1.082 308 F CB 1.145 39.916 39.000 -0.382 0.000 1.289 308 F HN 0.474 nan 8.300 nan 0.000 0.462 309 E N 2.856 123.048 120.200 -0.013 0.000 2.133 309 E HA 0.336 4.686 4.350 0.000 0.000 0.274 309 E C -0.875 175.674 176.600 -0.084 0.000 0.930 309 E CA -0.430 55.911 56.400 -0.098 0.000 0.770 309 E CB 0.692 30.290 29.700 -0.169 0.000 1.104 309 E HN 0.598 nan 8.360 nan 0.000 0.403 310 N N 4.602 123.234 118.700 -0.113 0.000 2.642 310 N HA 0.186 4.926 4.740 0.000 0.000 0.308 310 N C 0.421 175.810 175.510 -0.202 0.000 1.914 310 N CA -0.072 52.896 53.050 -0.136 0.000 0.893 310 N CB 0.675 39.087 38.487 -0.124 0.000 1.322 310 N HN 0.445 nan 8.380 nan 0.000 0.490 311 L N -0.981 120.126 121.223 -0.193 0.000 2.217 311 L HA 0.097 4.437 4.340 0.000 0.000 0.211 311 L C 0.215 176.980 176.870 -0.175 0.000 1.107 311 L CA 0.920 55.632 54.840 -0.213 0.000 0.783 311 L CB 0.019 41.965 42.059 -0.187 0.000 0.919 311 L HN 0.137 nan 8.230 nan 0.000 0.442 312 S N -1.266 114.361 115.700 -0.122 0.000 2.568 312 S HA 0.720 5.190 4.470 0.000 0.000 0.302 312 S C 0.303 174.880 174.600 -0.039 0.000 1.082 312 S CA -0.104 58.050 58.200 -0.076 0.000 1.009 312 S CB 1.989 65.159 63.200 -0.049 0.000 1.069 312 S HN 0.463 nan 8.310 nan 0.000 0.500 313 G N 2.553 111.346 108.800 -0.012 0.000 2.542 313 G HA2 -0.158 3.802 3.960 0.000 0.000 0.235 313 G HA3 -0.158 3.802 3.960 0.000 0.000 0.235 313 G C -1.215 173.716 174.900 0.052 0.000 1.286 313 G CA -0.441 44.682 45.100 0.038 0.000 0.904 313 G HN 0.652 nan 8.290 nan 0.000 0.577 314 D N -0.168 120.307 120.400 0.125 0.000 2.360 314 D HA 0.367 5.008 4.640 0.000 0.000 0.242 314 D C 0.406 176.858 176.300 0.252 0.000 1.184 314 D CA 0.086 54.193 54.000 0.179 0.000 0.930 314 D CB 0.253 41.116 40.800 0.105 0.000 1.161 314 D HN 0.400 nan 8.370 nan 0.000 0.447 315 W N 0.570 121.923 121.300 0.087 0.000 2.223 315 W HA 0.292 4.952 4.660 0.000 0.000 0.334 315 W C 1.322 177.922 176.519 0.135 0.000 1.334 315 W CA -0.071 57.319 57.345 0.075 0.000 1.246 315 W CB 0.204 29.677 29.460 0.022 0.000 1.184 315 W HN 0.226 nan 8.180 nan 0.000 0.563 316 G N 3.021 111.947 108.800 0.210 0.000 2.432 316 G HA2 0.302 4.262 3.960 0.000 0.000 0.239 316 G HA3 0.302 4.262 3.960 0.000 0.000 0.239 316 G C -0.878 174.044 174.900 0.038 0.000 1.291 316 G CA -0.305 44.799 45.100 0.006 0.000 0.863 316 G HN 0.443 nan 8.290 nan 0.000 0.560 317 K N 0.673 121.026 120.400 -0.079 0.000 2.527 317 K HA 0.524 4.844 4.320 0.000 0.000 0.260 317 K C 0.533 176.730 176.600 -0.673 0.000 0.937 317 K CA -0.151 55.961 56.287 -0.291 0.000 0.826 317 K CB 1.401 33.766 32.500 -0.226 0.000 1.359 317 K HN 1.304 nan 8.250 nan 0.000 0.434 318 G N 1.798 110.286 108.800 -0.520 0.000 2.148 318 G HA2 -0.285 3.675 3.960 0.000 0.000 0.254 318 G HA3 -0.285 3.675 3.960 0.000 0.000 0.254 318 G C -0.787 173.920 174.900 -0.321 0.000 0.981 318 G CA 0.401 45.307 45.100 -0.323 0.000 0.670 318 G HN 0.689 nan 8.290 nan 0.000 0.528 319 N N -0.113 118.216 118.700 -0.618 0.000 2.434 319 N HA 0.636 5.376 4.740 0.000 0.000 0.272 319 N C -0.829 174.142 175.510 -0.898 0.000 1.040 319 N CA -0.326 52.189 53.050 -0.891 0.000 0.956 319 N CB 0.714 38.361 38.487 -1.400 0.000 1.108 319 N HN 0.290 nan 8.380 nan 0.000 0.481 320 Y N 0.174 120.125 120.300 -0.582 0.000 2.576 320 Y HA 0.486 5.036 4.550 0.000 0.000 0.346 320 Y C -0.407 175.454 175.900 -0.064 0.000 1.018 320 Y CA -1.047 56.912 58.100 -0.235 0.000 1.050 320 Y CB 1.465 39.843 38.460 -0.138 0.000 1.280 320 Y HN 0.101 nan 8.280 nan 0.000 0.474 321 V N 4.642 124.685 119.914 0.215 0.000 2.350 321 V HA 0.397 4.517 4.120 0.000 0.000 0.285 321 V C -0.812 175.338 176.094 0.092 0.000 1.014 321 V CA -0.583 61.765 62.300 0.080 0.000 0.831 321 V CB 0.967 32.714 31.823 -0.127 0.000 1.000 321 V HN 0.446 nan 8.190 nan 0.000 0.433 322 I N 4.546 125.151 120.570 0.058 0.000 2.382 322 I HA 0.706 4.876 4.170 0.000 0.000 0.286 322 I C 0.777 176.941 176.117 0.078 0.000 1.002 322 I CA 0.159 61.491 61.300 0.053 0.000 1.135 322 I CB 0.750 38.727 38.000 -0.038 0.000 1.288 322 I HN 0.830 nan 8.210 nan 0.000 0.448 323 G N 4.602 113.491 108.800 0.147 0.000 2.752 323 G HA2 0.233 4.193 3.960 0.000 0.000 0.234 323 G HA3 0.233 4.193 3.960 0.000 0.000 0.234 323 G C 0.265 175.305 174.900 0.234 0.000 1.367 323 G CA 0.158 45.352 45.100 0.157 0.000 0.879 323 G HN 1.675 nan 8.290 nan 0.000 0.563 324 G N -1.185 107.706 108.800 0.151 0.000 2.750 324 G HA2 0.397 4.357 3.960 0.000 0.000 0.228 324 G HA3 0.397 4.357 3.960 0.000 0.000 0.228 324 G C -0.035 174.925 174.900 0.100 0.000 1.367 324 G CA 1.367 46.552 45.100 0.141 0.000 0.871 324 G HN 2.683 nan 8.290 nan 0.000 0.560 325 R N -2.052 118.484 120.500 0.059 0.000 2.716 325 R HA 0.841 5.181 4.340 0.000 0.000 0.271 325 R C -0.415 175.896 176.300 0.018 0.000 1.028 325 R CA -0.292 55.735 56.100 -0.122 0.000 0.883 325 R CB 1.408 31.628 30.300 -0.132 0.000 1.250 325 R HN 1.611 nan 8.270 nan 0.000 0.465 326 T N -1.727 112.802 114.554 -0.042 0.000 2.883 326 T HA 0.699 5.050 4.350 0.000 0.000 0.296 326 T C -0.705 174.006 174.700 0.018 0.000 1.117 326 T CA -0.854 61.295 62.100 0.081 0.000 1.006 326 T CB 2.023 71.023 68.868 0.221 0.000 1.191 326 T HN 0.494 nan 8.240 nan 0.000 0.508 327 S N 0.614 116.334 115.700 0.033 0.000 2.549 327 S HA 0.752 5.222 4.470 0.000 0.000 0.280 327 S C -1.311 173.248 174.600 -0.069 0.000 1.109 327 S CA -0.601 57.529 58.200 -0.116 0.000 0.905 327 S CB 0.544 63.624 63.200 -0.201 0.000 1.081 327 S HN 0.887 nan 8.310 nan 0.000 0.477 328 Y N 0.192 120.552 120.300 0.101 0.000 2.903 328 Y HA -0.077 4.474 4.550 0.000 0.000 0.466 328 Y C 0.860 176.807 175.900 0.078 0.000 1.201 328 Y CA 1.081 59.243 58.100 0.104 0.000 2.493 328 Y CB -1.510 37.080 38.460 0.217 0.000 1.237 328 Y HN 1.753 nan 8.280 nan 0.000 0.633 329 G N -1.181 107.813 108.800 0.323 0.000 2.785 329 G HA2 0.127 4.087 3.960 0.000 0.000 0.686 329 G HA3 0.127 4.087 3.960 0.000 0.000 0.686 329 G C 0.309 175.260 174.900 0.085 0.000 1.155 329 G CA -0.035 45.174 45.100 0.181 0.000 0.760 329 G HN 1.134 nan 8.290 nan 0.000 0.624 330 S N -0.401 115.362 115.700 0.106 0.000 2.428 330 S HA 0.188 4.658 4.470 0.000 0.000 0.230 330 S C 1.817 176.374 174.600 -0.071 0.000 1.014 330 S CA 1.944 60.176 58.200 0.052 0.000 0.957 330 S CB -0.194 63.134 63.200 0.213 0.000 0.784 330 S HN 1.784 nan 8.310 nan 0.000 0.499 331 V N -1.924 117.973 119.914 -0.028 0.000 5.502 331 V HA 0.581 4.701 4.120 0.000 0.000 0.283 331 V C 0.114 176.184 176.094 -0.040 0.000 1.523 331 V CA -0.962 61.305 62.300 -0.054 0.000 0.749 331 V CB 0.375 32.188 31.823 -0.016 0.000 1.393 331 V HN 0.032 nan 8.190 nan 0.000 0.425 332 S N 0.704 116.392 115.700 -0.020 0.000 2.580 332 S HA 0.310 4.780 4.470 0.000 0.000 0.274 332 S C 1.231 175.869 174.600 0.063 0.000 1.329 332 S CA 0.153 58.358 58.200 0.008 0.000 1.036 332 S CB 1.233 64.435 63.200 0.004 0.000 0.919 332 S HN 0.749 nan 8.310 nan 0.000 0.515 333 S N 1.512 117.269 115.700 0.096 0.000 2.345 333 S HA 0.135 4.605 4.470 0.000 0.000 0.219 333 S C 0.767 175.457 174.600 0.150 0.000 1.031 333 S CA 0.751 59.059 58.200 0.179 0.000 0.984 333 S CB -0.046 63.333 63.200 0.300 0.000 0.874 333 S HN 0.890 nan 8.310 nan 0.000 0.451 334 A N 1.595 124.483 122.820 0.113 0.000 2.356 334 A HA 0.678 4.998 4.320 0.000 0.000 0.310 334 A C -0.687 176.950 177.584 0.087 0.000 1.075 334 A CA -0.815 51.214 52.037 -0.015 0.000 0.746 334 A CB 1.130 20.019 19.000 -0.185 0.000 1.221 334 A HN 0.376 nan 8.150 nan 0.000 0.443 335 Q N 1.000 120.802 119.800 0.003 0.000 2.377 335 Q HA 0.805 5.145 4.340 0.000 0.000 0.279 335 Q C -1.950 174.058 176.000 0.014 0.000 1.049 335 Q CA -0.661 55.255 55.803 0.189 0.000 0.825 335 Q CB 1.791 30.723 28.738 0.324 0.000 1.401 335 Q HN 0.444 nan 8.270 nan 0.000 0.404 336 F N 0.933 121.058 119.950 0.292 0.000 2.551 336 F HA 0.622 5.149 4.527 0.000 0.000 0.316 336 F C -1.036 174.866 175.800 0.170 0.000 1.089 336 F CA -0.892 57.243 58.000 0.225 0.000 0.915 336 F CB 1.970 41.098 39.000 0.213 0.000 1.186 336 F HN 0.403 nan 8.300 nan 0.000 0.456 337 L N 2.437 123.775 121.223 0.190 0.000 2.406 337 L HA 0.549 4.889 4.340 0.000 0.000 0.272 337 L C 0.159 177.029 176.870 -0.001 0.000 0.980 337 L CA -0.700 54.147 54.840 0.011 0.000 0.831 337 L CB 1.877 43.768 42.059 -0.280 0.000 1.253 337 L HN 0.613 nan 8.230 nan 0.000 0.406 338 R N 1.899 122.389 120.500 -0.017 0.000 3.264 338 R HA -0.222 4.119 4.340 0.000 0.000 0.251 338 R C -0.883 175.453 176.300 0.058 0.000 0.971 338 R CA 0.327 56.272 56.100 -0.258 0.000 0.658 338 R CB -1.049 28.868 30.300 -0.638 0.000 1.095 338 R HN 0.792 nan 8.270 nan 0.000 0.443 339 N N 0.307 119.225 118.700 0.364 0.000 2.361 339 N HA 0.392 5.132 4.740 0.000 0.000 0.302 339 N C -1.277 174.522 175.510 0.481 0.000 1.074 339 N CA -0.813 52.454 53.050 0.361 0.000 0.850 339 N CB 1.419 40.039 38.487 0.220 0.000 1.228 339 N HN 0.249 nan 8.380 nan 0.000 0.491 340 N N 0.255 119.148 118.700 0.322 0.000 2.533 340 N HA 0.291 5.031 4.740 0.000 0.000 0.289 340 N C 0.138 175.642 175.510 -0.011 0.000 1.103 340 N CA -0.454 52.677 53.050 0.136 0.000 0.877 340 N CB 1.396 39.824 38.487 -0.100 0.000 1.419 340 N HN 0.646 nan 8.380 nan 0.000 0.517 341 G N 1.097 109.867 108.800 -0.050 0.000 2.848 341 G HA2 0.356 4.316 3.960 0.000 0.000 0.208 341 G HA3 0.356 4.316 3.960 0.000 0.000 0.208 341 G C 0.776 175.627 174.900 -0.082 0.000 1.152 341 G CA 0.419 45.453 45.100 -0.111 0.000 0.789 341 G HN 1.004 nan 8.290 nan 0.000 0.531 342 G N -0.631 108.105 108.800 -0.107 0.000 2.855 342 G HA2 -0.215 3.745 3.960 0.000 0.000 0.352 342 G HA3 -0.215 3.745 3.960 0.000 0.000 0.352 342 G C 0.443 175.325 174.900 -0.031 0.000 1.415 342 G CA -0.156 44.827 45.100 -0.195 0.000 0.871 342 G HN 0.096 nan 8.290 nan 0.000 0.543 343 F N 1.225 121.155 119.950 -0.035 0.000 2.202 343 F HA -0.031 4.496 4.527 0.000 0.000 0.301 343 F C 2.771 178.561 175.800 -0.017 0.000 1.082 343 F CA 2.005 59.989 58.000 -0.028 0.000 1.313 343 F CB -0.484 38.500 39.000 -0.028 0.000 1.024 343 F HN 0.685 nan 8.300 nan 0.000 0.495 344 E N 0.466 120.756 120.200 0.149 0.000 2.478 344 E HA -0.195 4.155 4.350 0.000 0.000 0.198 344 E C 0.091 176.731 176.600 0.067 0.000 1.046 344 E CA 0.323 56.780 56.400 0.095 0.000 0.870 344 E CB -0.417 29.328 29.700 0.077 0.000 0.818 344 E HN 0.186 nan 8.360 nan 0.000 0.527 345 R N 1.356 121.884 120.500 0.046 0.000 3.333 345 R HA -0.159 4.181 4.340 0.000 0.000 0.256 345 R C -0.760 175.519 176.300 -0.035 0.000 1.010 345 R CA 0.927 57.026 56.100 -0.003 0.000 0.680 345 R CB -2.923 27.384 30.300 0.010 0.000 1.102 345 R HN 0.274 nan 8.270 nan 0.000 0.440 346 D N 0.697 121.068 120.400 -0.048 0.000 2.517 346 D HA 0.478 5.119 4.640 0.000 0.000 0.220 346 D C 0.629 176.666 176.300 -0.439 0.000 1.158 346 D CA 1.259 55.233 54.000 -0.043 0.000 0.992 346 D CB 0.157 41.002 40.800 0.074 0.000 1.058 346 D HN 0.588 nan 8.370 nan 0.000 0.516 347 G N 0.190 108.435 108.800 -0.925 0.000 2.350 347 G HA2 0.542 4.502 3.960 0.000 0.000 0.305 347 G HA3 0.542 4.502 3.960 0.000 0.000 0.305 347 G C -0.207 174.073 174.900 -1.032 0.000 1.479 347 G CA -0.054 44.231 45.100 -1.357 0.000 0.949 347 G HN 0.754 nan 8.290 nan 0.000 0.651 348 G N -2.163 106.087 108.800 -0.917 0.000 2.270 348 G HA2 0.483 4.443 3.960 0.000 0.000 0.268 348 G HA3 0.483 4.443 3.960 0.000 0.000 0.268 348 G C -1.409 173.360 174.900 -0.218 0.000 1.312 348 G CA 0.425 45.038 45.100 -0.811 0.000 1.050 348 G HN 1.833 nan 8.290 nan 0.000 0.474 349 V N 0.745 120.554 119.914 -0.175 0.000 2.483 349 V HA 0.723 4.843 4.120 0.000 0.000 0.297 349 V C -0.099 176.100 176.094 0.175 0.000 1.027 349 V CA -0.414 61.976 62.300 0.150 0.000 0.855 349 V CB 1.246 33.290 31.823 0.369 0.000 0.995 349 V HN 0.696 nan 8.190 nan 0.000 0.424 350 I N 3.168 123.855 120.570 0.194 0.000 2.499 350 I HA 0.639 4.809 4.170 0.000 0.000 0.288 350 I C 0.929 177.163 176.117 0.195 0.000 1.048 350 I CA -0.497 60.905 61.300 0.170 0.000 1.062 350 I CB 2.057 40.120 38.000 0.105 0.000 1.238 350 I HN 0.802 nan 8.210 nan 0.000 0.426 351 G N 4.264 113.184 108.800 0.200 0.000 2.198 351 G HA2 -0.309 3.651 3.960 0.000 0.000 0.260 351 G HA3 -0.309 3.651 3.960 0.000 0.000 0.260 351 G C -0.311 174.740 174.900 0.251 0.000 1.025 351 G CA 0.018 45.227 45.100 0.183 0.000 0.769 351 G HN 0.482 nan 8.290 nan 0.000 0.507 352 F N 1.228 121.259 119.950 0.136 0.000 2.397 352 F HA 0.738 5.265 4.527 0.000 0.000 0.331 352 F C 0.329 176.204 175.800 0.125 0.000 1.090 352 F CA -0.400 57.678 58.000 0.130 0.000 1.065 352 F CB 1.957 41.058 39.000 0.168 0.000 1.184 352 F HN -0.002 nan 8.300 nan 0.000 0.499 353 T N 3.558 117.672 114.554 -0.733 0.000 2.841 353 T HA 0.408 4.758 4.350 0.000 0.000 0.285 353 T C -1.153 172.954 174.700 -0.988 0.000 0.991 353 T CA -0.668 61.068 62.100 -0.607 0.000 0.966 353 T CB 1.263 69.968 68.868 -0.272 0.000 0.962 353 T HN 0.604 nan 8.240 nan 0.000 0.438 354 S N 2.886 118.223 115.700 -0.605 0.000 2.473 354 S HA 0.663 5.133 4.470 0.000 0.000 0.307 354 S C -1.525 173.006 174.600 -0.115 0.000 1.094 354 S CA -0.651 57.331 58.200 -0.364 0.000 1.070 354 S CB 0.668 63.765 63.200 -0.172 0.000 1.019 354 S HN 0.649 nan 8.310 nan 0.000 0.480 355 Y N 4.413 124.588 120.300 -0.208 0.000 2.376 355 Y HA 0.600 5.150 4.550 0.000 0.000 0.340 355 Y C 0.317 176.097 175.900 -0.200 0.000 0.965 355 Y CA -0.614 57.377 58.100 -0.181 0.000 1.078 355 Y CB 1.101 39.422 38.460 -0.231 0.000 1.193 355 Y HN 0.929 nan 8.280 nan 0.000 0.452 356 R N 3.118 123.068 120.500 -0.915 0.000 3.322 356 R HA -0.191 4.149 4.340 0.000 0.000 0.253 356 R C -1.163 174.968 176.300 -0.281 0.000 0.987 356 R CA 0.714 56.348 56.100 -0.776 0.000 0.666 356 R CB -1.741 27.672 30.300 -1.478 0.000 1.072 356 R HN 0.857 nan 8.270 nan 0.000 0.447 357 A N -0.035 122.696 122.820 -0.147 0.000 2.511 357 A HA 0.443 4.763 4.320 0.000 0.000 0.242 357 A C 1.731 179.259 177.584 -0.094 0.000 1.069 357 A CA 0.245 52.237 52.037 -0.074 0.000 0.763 357 A CB 0.305 19.282 19.000 -0.039 0.000 1.001 357 A HN 0.639 nan 8.150 nan 0.000 0.498 358 G N 0.699 109.367 108.800 -0.220 0.000 2.448 358 G HA2 -0.080 3.880 3.960 0.000 0.000 0.219 358 G HA3 -0.080 3.880 3.960 0.000 0.000 0.219 358 G C 1.006 175.836 174.900 -0.117 0.000 1.127 358 G CA 1.324 46.117 45.100 -0.512 0.000 0.766 358 G HN 0.860 nan 8.290 nan 0.000 0.552 359 E N -1.112 119.053 120.200 -0.059 0.000 3.376 359 E HA 0.327 4.677 4.350 0.000 0.000 0.294 359 E C -0.099 176.517 176.600 0.026 0.000 0.882 359 E CA -0.286 56.096 56.400 -0.030 0.000 1.130 359 E CB 0.612 30.156 29.700 -0.260 0.000 2.830 359 E HN 0.207 nan 8.360 nan 0.000 0.562 360 S N -0.872 114.793 115.700 -0.058 0.000 2.607 360 S HA 0.442 4.912 4.470 0.000 0.000 0.303 360 S C 0.532 175.098 174.600 -0.056 0.000 1.086 360 S CA -0.330 57.840 58.200 -0.050 0.000 0.995 360 S CB 1.633 64.780 63.200 -0.089 0.000 1.084 360 S HN 0.553 nan 8.310 nan 0.000 0.507 361 G N 0.783 109.517 108.800 -0.110 0.000 2.434 361 G HA2 0.065 4.025 3.960 0.000 0.000 0.214 361 G HA3 0.065 4.025 3.960 0.000 0.000 0.214 361 G C 0.045 174.933 174.900 -0.021 0.000 1.202 361 G CA 0.755 45.790 45.100 -0.109 0.000 0.788 361 G HN 0.537 nan 8.290 nan 0.000 0.539 362 V N 0.057 119.884 119.914 -0.145 0.000 2.588 362 V HA 0.567 4.687 4.120 0.000 0.000 0.304 362 V C -0.558 175.544 176.094 0.012 0.000 1.042 362 V CA -0.909 61.411 62.300 0.034 0.000 0.877 362 V CB 1.984 33.893 31.823 0.142 0.000 0.996 362 V HN 0.328 nan 8.190 nan 0.000 0.425 363 K N 2.756 123.216 120.400 0.100 0.000 2.482 363 K HA 0.658 4.979 4.320 0.000 0.000 0.251 363 K C -0.670 176.043 176.600 0.188 0.000 0.936 363 K CA -0.398 55.911 56.287 0.037 0.000 0.791 363 K CB 2.135 34.595 32.500 -0.067 0.000 1.213 363 K HN 0.806 nan 8.250 nan 0.000 0.428 364 T N 0.476 115.078 114.554 0.080 0.000 2.758 364 T HA 0.343 4.693 4.350 0.000 0.000 0.285 364 T C -0.191 174.617 174.700 0.180 0.000 0.981 364 T CA -0.696 61.529 62.100 0.208 0.000 0.965 364 T CB 0.178 69.092 68.868 0.077 0.000 0.927 364 T HN 0.419 nan 8.240 nan 0.000 0.448 365 W N 2.417 123.764 121.300 0.078 0.000 2.123 365 W HA 0.393 5.053 4.660 0.000 0.000 0.351 365 W C 0.533 177.069 176.519 0.028 0.000 1.292 365 W CA 0.139 57.504 57.345 0.034 0.000 1.263 365 W CB 0.362 29.839 29.460 0.029 0.000 1.165 365 W HN 0.634 nan 8.180 nan 0.000 0.590 366 Q N 1.277 121.171 119.800 0.157 0.000 2.387 366 Q HA 0.685 5.026 4.340 0.000 0.000 0.273 366 Q C 0.432 176.523 176.000 0.151 0.000 1.089 366 Q CA -0.101 55.768 55.803 0.110 0.000 0.824 366 Q CB 1.863 30.609 28.738 0.013 0.000 1.367 366 Q HN 0.753 nan 8.270 nan 0.000 0.443 367 G N 0.367 109.238 108.800 0.119 0.000 2.698 367 G HA2 -0.217 3.743 3.960 0.000 0.000 0.233 367 G HA3 -0.217 3.743 3.960 0.000 0.000 0.233 367 G C -0.761 174.211 174.900 0.119 0.000 1.352 367 G CA -0.455 44.709 45.100 0.107 0.000 0.879 367 G HN 0.621 nan 8.290 nan 0.000 0.567 368 T N 0.271 114.879 114.554 0.090 0.000 2.806 368 T HA 0.545 4.896 4.350 0.000 0.000 0.290 368 T C 0.050 174.786 174.700 0.060 0.000 0.966 368 T CA -0.123 62.014 62.100 0.062 0.000 1.060 368 T CB 1.626 70.519 68.868 0.043 0.000 0.927 368 T HN 1.012 nan 8.240 nan 0.000 0.485 369 V N 3.471 123.394 119.914 0.015 0.000 2.443 369 V HA 0.705 4.825 4.120 0.000 0.000 0.293 369 V C 0.879 176.937 176.094 -0.060 0.000 1.021 369 V CA 0.307 62.590 62.300 -0.027 0.000 0.848 369 V CB 0.701 32.450 31.823 -0.124 0.000 0.998 369 V HN 1.235 nan 8.190 nan 0.000 0.424 370 G N 5.168 113.942 108.800 -0.043 0.000 2.552 370 G HA2 -0.265 3.695 3.960 0.000 0.000 0.267 370 G HA3 -0.265 3.695 3.960 0.000 0.000 0.267 370 G C 0.775 175.658 174.900 -0.028 0.000 1.174 370 G CA 0.499 45.571 45.100 -0.046 0.000 0.955 370 G HN 0.998 nan 8.290 nan 0.000 0.546 371 S N 0.256 115.935 115.700 -0.035 0.000 2.663 371 S HA 0.585 5.055 4.470 0.000 0.000 0.243 371 S C 0.317 174.903 174.600 -0.024 0.000 1.009 371 S CA 1.365 59.552 58.200 -0.021 0.000 0.988 371 S CB -0.084 63.105 63.200 -0.019 0.000 0.896 371 S HN 1.096 nan 8.310 nan 0.000 0.502 372 T N -0.148 114.381 114.554 -0.041 0.000 2.778 372 T HA 0.432 4.782 4.350 0.000 0.000 0.293 372 T C -0.615 174.057 174.700 -0.046 0.000 1.144 372 T CA -0.261 61.809 62.100 -0.049 0.000 1.010 372 T CB 1.710 70.519 68.868 -0.097 0.000 1.325 372 T HN 0.044 nan 8.240 nan 0.000 0.515 373 T N 0.835 115.362 114.554 -0.044 0.000 2.919 373 T HA 0.332 4.682 4.350 0.000 0.000 0.302 373 T C 1.193 175.845 174.700 -0.081 0.000 1.031 373 T CA 0.398 62.497 62.100 -0.002 0.000 1.127 373 T CB 0.278 69.208 68.868 0.103 0.000 0.952 373 T HN 0.664 nan 8.240 nan 0.000 0.540 374 S N 3.884 119.594 115.700 0.017 0.000 2.578 374 S HA 0.300 4.771 4.470 0.000 0.000 0.231 374 S C 0.649 175.332 174.600 0.138 0.000 0.994 374 S CA -0.696 57.513 58.200 0.015 0.000 0.956 374 S CB 0.088 63.337 63.200 0.080 0.000 0.870 374 S HN 0.716 nan 8.310 nan 0.000 0.494 375 R N 1.381 121.990 120.500 0.182 0.000 2.801 375 R HA 0.428 4.768 4.340 0.000 0.000 0.273 375 R C -0.786 175.732 176.300 0.363 0.000 1.080 375 R CA 0.055 56.303 56.100 0.246 0.000 1.197 375 R CB 0.087 30.525 30.300 0.230 0.000 1.109 375 R HN 0.377 nan 8.270 nan 0.000 0.535 376 N N -0.563 118.282 118.700 0.243 0.000 2.242 376 N HA 0.371 5.112 4.740 0.000 0.000 0.292 376 N C -1.713 173.853 175.510 0.093 0.000 1.125 376 N CA -0.603 52.655 53.050 0.346 0.000 0.783 376 N CB 1.518 40.196 38.487 0.319 0.000 1.558 376 N HN 0.354 nan 8.380 nan 0.000 0.472 377 Y N -0.129 120.327 120.300 0.260 0.000 2.576 377 Y HA 0.439 4.989 4.550 0.000 0.000 0.346 377 Y C 0.043 175.980 175.900 0.061 0.000 1.018 377 Y CA -0.991 57.129 58.100 0.033 0.000 1.050 377 Y CB 1.399 39.800 38.460 -0.098 0.000 1.280 377 Y HN 0.470 nan 8.280 nan 0.000 0.474 378 N N 0.892 119.685 118.700 0.155 0.000 2.716 378 N HA -0.201 4.539 4.740 0.000 0.000 0.250 378 N C -1.326 174.238 175.510 0.091 0.000 1.033 378 N CA 0.830 53.960 53.050 0.134 0.000 0.727 378 N CB -1.068 37.470 38.487 0.085 0.000 0.950 378 N HN 0.509 nan 8.380 nan 0.000 0.541 379 L N 0.140 121.485 121.223 0.204 0.000 2.332 379 L HA 0.362 4.702 4.340 0.000 0.000 0.269 379 L C 0.820 177.438 176.870 -0.418 0.000 1.016 379 L CA -0.735 53.934 54.840 -0.284 0.000 0.809 379 L CB 1.324 43.001 42.059 -0.637 0.000 1.280 379 L HN -0.013 nan 8.230 nan 0.000 0.447 380 Q N 1.021 120.437 119.800 -0.640 0.000 2.245 380 Q HA 0.510 4.850 4.340 0.000 0.000 0.256 380 Q C -1.695 173.802 176.000 -0.838 0.000 0.942 380 Q CA -0.367 55.161 55.803 -0.458 0.000 0.896 380 Q CB 2.096 30.720 28.738 -0.191 0.000 1.272 380 Q HN 0.302 nan 8.270 nan 0.000 0.442 381 F N 1.914 121.859 119.950 -0.009 0.000 2.771 381 F HA 0.455 4.982 4.527 0.000 0.000 0.365 381 F C -0.245 175.560 175.800 0.010 0.000 1.169 381 F CA -0.540 57.473 58.000 0.023 0.000 1.093 381 F CB 1.115 40.115 39.000 0.001 0.000 1.363 381 F HN 0.253 nan 8.300 nan 0.000 0.496 382 R N 0.879 121.470 120.500 0.152 0.000 2.774 382 R HA 0.385 4.725 4.340 0.000 0.000 0.272 382 R C -1.039 175.335 176.300 0.124 0.000 1.000 382 R CA -1.177 54.980 56.100 0.097 0.000 0.906 382 R CB 1.868 32.203 30.300 0.058 0.000 1.227 382 R HN 0.414 nan 8.270 nan 0.000 0.468 383 D N 0.462 120.913 120.400 0.085 0.000 2.701 383 D HA -0.153 4.488 4.640 0.000 0.000 0.235 383 D C -0.878 175.516 176.300 0.157 0.000 1.155 383 D CA 1.240 55.297 54.000 0.095 0.000 0.649 383 D CB -0.830 40.017 40.800 0.079 0.000 1.050 383 D HN 0.365 nan 8.370 nan 0.000 0.425 384 S N -1.025 114.808 115.700 0.222 0.000 2.600 384 S HA 0.765 5.235 4.470 0.000 0.000 0.300 384 S C 0.038 174.854 174.600 0.360 0.000 1.087 384 S CA -0.765 57.644 58.200 0.347 0.000 0.965 384 S CB 3.124 66.668 63.200 0.573 0.000 1.089 384 S HN 0.031 nan 8.310 nan 0.000 0.496 385 V N 1.933 122.008 119.914 0.269 0.000 2.638 385 V HA 0.593 4.713 4.120 0.000 0.000 0.306 385 V C -1.015 175.116 176.094 0.062 0.000 1.052 385 V CA -0.616 61.791 62.300 0.178 0.000 0.885 385 V CB 1.859 33.720 31.823 0.064 0.000 0.999 385 V HN 0.660 nan 8.190 nan 0.000 0.424 386 V N 6.066 126.009 119.914 0.048 0.000 2.483 386 V HA 0.590 4.710 4.120 0.000 0.000 0.297 386 V C -0.442 175.612 176.094 -0.067 0.000 1.027 386 V CA -0.458 61.781 62.300 -0.101 0.000 0.855 386 V CB 1.702 33.336 31.823 -0.315 0.000 0.995 386 V HN 0.814 nan 8.190 nan 0.000 0.424 387 I N 1.408 121.939 120.570 -0.066 0.000 2.509 387 I HA 0.655 4.826 4.170 0.000 0.000 0.293 387 I C -0.407 175.679 176.117 -0.052 0.000 1.020 387 I CA -1.001 60.219 61.300 -0.135 0.000 1.088 387 I CB 1.565 39.544 38.000 -0.035 0.000 1.267 387 I HN 0.621 nan 8.210 nan 0.000 0.430 388 Y N 2.472 122.812 120.300 0.066 0.000 3.305 388 Y HA -0.138 4.412 4.550 0.000 0.000 0.212 388 Y C -2.212 173.798 175.900 0.183 0.000 1.248 388 Y CA -0.058 58.108 58.100 0.109 0.000 1.359 388 Y CB -2.185 36.129 38.460 -0.243 0.000 1.407 388 Y HN 0.558 nan 8.280 nan 0.000 0.572 389 P HA 0.191 nan 4.420 nan 0.000 0.278 389 P C 1.008 178.398 177.300 0.150 0.000 1.238 389 P CA -0.160 63.016 63.100 0.127 0.000 0.794 389 P CB 2.055 33.771 31.700 0.027 0.000 0.955 390 V N 0.968 120.946 119.914 0.105 0.000 2.515 390 V HA -0.141 3.979 4.120 0.000 0.000 0.250 390 V C 1.308 177.201 176.094 -0.336 0.000 1.058 390 V CA 1.797 64.008 62.300 -0.149 0.000 1.064 390 V CB -0.950 30.922 31.823 0.081 0.000 0.675 390 V HN 0.590 nan 8.190 nan 0.000 0.461 391 W N -0.866 120.317 121.300 -0.195 0.000 4.339 391 W HA 0.336 4.996 4.660 0.000 0.000 0.547 391 W C 0.258 176.684 176.519 -0.154 0.000 3.316 391 W CA -0.132 57.091 57.345 -0.203 0.000 1.224 391 W CB -0.535 28.806 29.460 -0.198 0.000 2.202 391 W HN -0.072 nan 8.180 nan 0.000 0.395 392 D N -0.603 119.890 120.400 0.155 0.000 2.268 392 D HA 0.331 4.972 4.640 0.000 0.000 0.249 392 D C 1.053 177.353 176.300 0.000 0.000 1.008 392 D CA -0.102 53.931 54.000 0.055 0.000 0.939 392 D CB 1.160 41.982 40.800 0.036 0.000 1.170 392 D HN 0.260 nan 8.370 nan 0.000 0.468 393 G N -0.062 108.752 108.800 0.023 0.000 2.454 393 G HA2 -0.043 3.918 3.960 0.000 0.000 0.214 393 G HA3 -0.043 3.918 3.960 0.000 0.000 0.214 393 G C -0.065 174.661 174.900 -0.291 0.000 1.217 393 G CA 0.453 45.516 45.100 -0.062 0.000 0.799 393 G HN 0.358 nan 8.290 nan 0.000 0.538 394 F N 0.361 120.352 119.950 0.068 0.000 2.507 394 F HA 0.427 4.954 4.527 0.000 0.000 0.328 394 F C -1.062 174.631 175.800 -0.179 0.000 1.136 394 F CA -1.263 56.725 58.000 -0.019 0.000 0.930 394 F CB 2.315 41.368 39.000 0.089 0.000 1.166 394 F HN -0.037 nan 8.300 nan 0.000 0.436 395 D N 4.813 125.173 120.400 -0.066 0.000 2.477 395 D HA 0.324 4.964 4.640 0.000 0.000 0.239 395 D C -0.204 175.982 176.300 -0.189 0.000 1.102 395 D CA -0.095 53.821 54.000 -0.140 0.000 0.901 395 D CB 0.597 41.311 40.800 -0.143 0.000 1.026 395 D HN 0.544 nan 8.370 nan 0.000 0.515 396 L N 2.544 123.613 121.223 -0.258 0.000 2.872 396 L HA 0.432 4.772 4.340 0.000 0.000 0.245 396 L C 1.293 178.096 176.870 -0.112 0.000 1.211 396 L CA -0.654 54.020 54.840 -0.275 0.000 1.013 396 L CB 0.552 42.372 42.059 -0.399 0.000 1.326 396 L HN 0.301 nan 8.230 nan 0.000 0.525 397 G N -0.554 108.198 108.800 -0.079 0.000 2.537 397 G HA2 0.449 4.409 3.960 0.000 0.000 0.273 397 G HA3 0.449 4.409 3.960 0.000 0.000 0.273 397 G C 0.557 175.475 174.900 0.030 0.000 1.189 397 G CA 0.417 45.517 45.100 0.000 0.000 0.881 397 G HN 0.221 nan 8.290 nan 0.000 0.535 398 A N -0.066 122.789 122.820 0.060 0.000 2.138 398 A HA 0.352 4.672 4.320 0.000 0.000 0.203 398 A C 0.576 178.199 177.584 0.066 0.000 1.286 398 A CA 0.250 52.319 52.037 0.053 0.000 0.929 398 A CB 0.543 19.538 19.000 -0.008 0.000 0.975 398 A HN 0.508 nan 8.150 nan 0.000 0.480 399 D N 0.876 121.322 120.400 0.076 0.000 2.198 399 D HA 0.489 5.129 4.640 0.000 0.000 0.247 399 D C -0.026 176.309 176.300 0.059 0.000 1.010 399 D CA 0.237 54.239 54.000 0.003 0.000 0.880 399 D CB 1.827 42.507 40.800 -0.200 0.000 1.209 399 D HN 0.310 nan 8.370 nan 0.000 0.451 408 R N 1.780 122.332 120.500 0.086 0.000 2.587 408 R HA 0.314 4.654 4.340 0.000 0.000 0.283 408 R C -2.687 173.671 176.300 0.096 0.000 1.472 408 R CA -1.414 54.749 56.100 0.105 0.000 1.578 408 R CB 1.235 31.628 30.300 0.155 0.000 1.130 408 R HN -0.016 nan 8.270 nan 0.000 0.602 409 P HA -0.049 nan 4.420 nan 0.000 0.263 409 P C 0.773 178.110 177.300 0.062 0.000 1.195 409 P CA 0.986 64.119 63.100 0.055 0.000 0.762 409 P CB 0.914 32.635 31.700 0.035 0.000 0.799 410 G N 1.518 110.357 108.800 0.066 0.000 2.159 410 G HA2 -0.186 3.775 3.960 0.000 0.000 0.256 410 G HA3 -0.186 3.775 3.960 0.000 0.000 0.256 410 G C -0.021 174.974 174.900 0.159 0.000 0.977 410 G CA 0.279 45.430 45.100 0.085 0.000 0.652 410 G HN 0.638 nan 8.290 nan 0.000 0.531 411 D N -1.748 118.732 120.400 0.133 0.000 2.798 411 D HA 0.509 5.150 4.640 0.000 0.000 0.308 411 D C -0.331 176.011 176.300 0.070 0.000 1.187 411 D CA -0.729 53.348 54.000 0.128 0.000 1.033 411 D CB 0.684 41.645 40.800 0.269 0.000 1.445 411 D HN -0.077 nan 8.370 nan 0.000 0.550 412 Y N 1.145 121.583 120.300 0.230 0.000 2.610 412 Y HA 0.170 4.720 4.550 0.000 0.000 0.332 412 Y C -1.380 174.632 175.900 0.186 0.000 1.201 412 Y CA -0.783 57.457 58.100 0.233 0.000 1.465 412 Y CB -0.065 38.652 38.460 0.428 0.000 1.283 412 Y HN -0.025 nan 8.280 nan 0.000 0.563 413 P HA 0.027 nan 4.420 nan 0.000 0.274 413 P C 0.686 178.079 177.300 0.155 0.000 1.231 413 P CA -0.260 62.943 63.100 0.171 0.000 0.790 413 P CB 1.193 32.958 31.700 0.108 0.000 0.951 414 I N 1.772 122.410 120.570 0.112 0.000 2.530 414 I HA -0.184 3.986 4.170 0.000 0.000 0.257 414 I C 2.228 178.374 176.117 0.048 0.000 1.179 414 I CA 2.037 63.388 61.300 0.086 0.000 1.440 414 I CB -1.804 36.230 38.000 0.057 0.000 1.087 414 I HN 0.451 nan 8.210 nan 0.000 0.440 415 T N -1.880 112.691 114.554 0.029 0.000 2.821 415 T HA -0.221 4.129 4.350 0.000 0.000 0.267 415 T C 1.792 176.455 174.700 -0.061 0.000 1.046 415 T CA 1.127 63.223 62.100 -0.007 0.000 1.139 415 T CB -0.250 68.615 68.868 -0.004 0.000 0.871 415 T HN 0.374 nan 8.240 nan 0.000 0.454 416 Q N -0.077 119.667 119.800 -0.093 0.000 2.008 416 Q HA 0.073 4.413 4.340 0.000 0.000 0.196 416 Q C -0.466 175.244 176.000 -0.483 0.000 0.973 416 Q CA 0.751 56.363 55.803 -0.319 0.000 0.826 416 Q CB 0.258 28.797 28.738 -0.331 0.000 0.894 416 Q HN 0.655 nan 8.270 nan 0.000 0.439 417 Y N 0.300 120.602 120.300 0.004 0.000 2.332 417 Y HA 0.426 4.976 4.550 0.000 0.000 0.326 417 Y C -2.221 173.693 175.900 0.023 0.000 0.978 417 Y CA -3.135 54.961 58.100 -0.007 0.000 1.205 417 Y CB 1.445 39.883 38.460 -0.036 0.000 1.131 417 Y HN 0.178 nan 8.280 nan 0.000 0.462 418 P HA -0.062 nan 4.420 nan 0.000 0.271 418 P C -0.354 176.991 177.300 0.075 0.000 1.238 418 P CA -0.384 62.766 63.100 0.083 0.000 0.794 418 P CB 0.729 32.461 31.700 0.054 0.000 0.959 419 L N 3.405 124.635 121.223 0.011 0.000 2.540 419 L HA -0.041 4.299 4.340 0.000 0.000 0.276 419 L C 0.888 177.725 176.870 -0.054 0.000 1.212 419 L CA 1.019 55.792 54.840 -0.111 0.000 0.893 419 L CB -0.927 41.017 42.059 -0.193 0.000 1.138 419 L HN 0.509 nan 8.230 nan 0.000 0.491 420 H N 2.196 121.302 119.070 0.060 0.000 3.237 420 H HA -0.181 4.375 4.556 0.000 0.000 0.231 420 H C 0.175 175.529 175.328 0.043 0.000 1.148 420 H CA 1.303 57.377 56.048 0.044 0.000 1.155 420 H CB -1.140 28.644 29.762 0.037 0.000 1.210 420 H HN 0.792 nan 8.280 nan 0.000 0.317 421 Q N 0.403 120.283 119.800 0.134 0.000 2.155 421 Q HA 0.342 4.682 4.340 0.000 0.000 0.273 421 Q C 0.345 176.364 176.000 0.030 0.000 0.857 421 Q CA -0.197 55.676 55.803 0.116 0.000 1.116 421 Q CB 1.045 29.876 28.738 0.154 0.000 1.209 421 Q HN 0.265 nan 8.270 nan 0.000 0.460 422 L N 2.812 124.013 121.223 -0.037 0.000 2.417 422 L HA 0.200 4.540 4.340 0.000 0.000 0.268 422 L C -1.704 175.004 176.870 -0.271 0.000 1.158 422 L CA -1.622 53.085 54.840 -0.223 0.000 0.819 422 L CB 0.365 42.403 42.059 -0.035 0.000 1.112 422 L HN -0.039 nan 8.230 nan 0.000 0.458 423 P HA 0.098 nan 4.420 nan 0.000 0.220 423 P C 0.841 178.123 177.300 -0.031 0.000 1.806 423 P CA -0.070 62.884 63.100 -0.244 0.000 0.976 423 P CB 0.116 31.594 31.700 -0.371 0.000 1.952 424 L N 0.809 121.946 121.223 -0.143 0.000 2.079 424 L HA -0.221 4.119 4.340 0.000 0.000 0.210 424 L C 0.941 177.611 176.870 -0.333 0.000 1.081 424 L CA 1.268 55.891 54.840 -0.362 0.000 0.752 424 L CB -1.299 40.449 42.059 -0.518 0.000 0.896 424 L HN 0.256 nan 8.230 nan 0.000 0.433 425 N N -2.209 116.384 118.700 -0.178 0.000 2.708 425 N HA -0.185 4.555 4.740 0.000 0.000 0.251 425 N C -0.258 175.240 175.510 -0.020 0.000 1.123 425 N CA 0.178 53.192 53.050 -0.061 0.000 0.739 425 N CB -0.858 37.641 38.487 0.020 0.000 1.113 425 N HN 0.404 nan 8.380 nan 0.000 0.561 426 H N 0.263 119.393 119.070 0.101 0.000 2.771 426 H HA 0.184 4.740 4.556 0.000 0.000 0.364 426 H C 0.323 175.716 175.328 0.109 0.000 1.133 426 H CA 0.019 56.145 56.048 0.130 0.000 1.423 426 H CB 0.658 30.586 29.762 0.276 0.000 1.425 426 H HN 0.106 nan 8.280 nan 0.000 0.606 427 L N 4.322 125.667 121.223 0.204 0.000 2.259 427 L HA 0.312 4.652 4.340 0.000 0.000 0.288 427 L C -0.672 176.287 176.870 0.147 0.000 1.051 427 L CA 0.083 54.993 54.840 0.117 0.000 0.824 427 L CB -0.370 41.717 42.059 0.046 0.000 1.206 427 L HN 0.397 nan 8.230 nan 0.000 0.429 428 I N 4.640 125.305 120.570 0.159 0.000 2.389 428 I HA 0.491 4.661 4.170 0.000 0.000 0.288 428 I C -0.990 175.159 176.117 0.054 0.000 0.999 428 I CA -0.450 60.944 61.300 0.156 0.000 1.129 428 I CB 1.789 39.920 38.000 0.220 0.000 1.288 428 I HN 0.558 nan 8.210 nan 0.000 0.444 429 D N 4.895 125.304 120.400 0.015 0.000 2.769 429 D HA 0.235 4.875 4.640 0.000 0.000 0.219 429 D C -0.626 175.649 176.300 -0.041 0.000 1.245 429 D CA -0.353 53.634 54.000 -0.023 0.000 0.801 429 D CB 1.057 41.857 40.800 -0.000 0.000 1.598 429 D HN 0.423 nan 8.370 nan 0.000 0.485 430 N N 2.036 120.699 118.700 -0.061 0.000 2.610 430 N HA -0.155 4.586 4.740 0.000 0.000 0.271 430 N C -1.750 173.727 175.510 -0.056 0.000 1.146 430 N CA 0.846 53.868 53.050 -0.047 0.000 0.711 430 N CB -0.904 37.577 38.487 -0.010 0.000 0.883 430 N HN 0.479 nan 8.380 nan 0.000 0.548 431 L N 0.929 122.075 121.223 -0.128 0.000 2.381 431 L HA 0.715 5.055 4.340 0.000 0.000 0.268 431 L C -0.203 176.637 176.870 -0.049 0.000 0.997 431 L CA -1.207 53.548 54.840 -0.141 0.000 0.818 431 L CB 1.784 43.541 42.059 -0.504 0.000 1.310 431 L HN 0.235 nan 8.230 nan 0.000 0.416 432 L N 3.114 124.396 121.223 0.098 0.000 2.386 432 L HA 0.803 5.143 4.340 0.000 0.000 0.271 432 L C -1.219 175.767 176.870 0.193 0.000 0.993 432 L CA -0.350 54.549 54.840 0.099 0.000 0.819 432 L CB 2.139 44.236 42.059 0.064 0.000 1.294 432 L HN 0.297 nan 8.230 nan 0.000 0.414 433 V N 5.028 125.025 119.914 0.139 0.000 2.709 433 V HA 0.703 4.823 4.120 0.000 0.000 0.308 433 V C -0.666 175.438 176.094 0.017 0.000 1.062 433 V CA -0.667 61.707 62.300 0.124 0.000 0.901 433 V CB 2.011 33.960 31.823 0.210 0.000 1.003 433 V HN 0.849 nan 8.190 nan 0.000 0.425 434 R N 2.336 122.790 120.500 -0.077 0.000 2.604 434 R HA 0.598 4.938 4.340 0.000 0.000 0.281 434 R C 0.577 176.651 176.300 -0.377 0.000 1.020 434 R CA 0.354 56.354 56.100 -0.166 0.000 0.899 434 R CB 1.904 32.103 30.300 -0.169 0.000 1.205 434 R HN 1.211 nan 8.270 nan 0.000 0.450 435 G N 1.625 110.273 108.800 -0.254 0.000 2.143 435 G HA2 -0.280 3.680 3.960 0.000 0.000 0.249 435 G HA3 -0.280 3.680 3.960 0.000 0.000 0.249 435 G C 0.079 175.097 174.900 0.198 0.000 0.981 435 G CA 0.169 45.155 45.100 -0.190 0.000 0.665 435 G HN 0.886 nan 8.290 nan 0.000 0.528 436 A N -0.553 122.320 122.820 0.089 0.000 2.477 436 A HA 0.644 4.964 4.320 0.000 0.000 0.246 436 A C 1.339 178.916 177.584 -0.012 0.000 1.078 436 A CA 0.674 52.761 52.037 0.083 0.000 0.770 436 A CB 0.554 19.572 19.000 0.030 0.000 1.011 436 A HN 1.214 nan 8.150 nan 0.000 0.494 437 L N 2.953 124.002 121.223 -0.291 0.000 2.375 437 L HA 0.257 4.597 4.340 0.000 0.000 0.215 437 L C 1.499 178.176 176.870 -0.322 0.000 1.108 437 L CA 1.996 56.482 54.840 -0.590 0.000 0.830 437 L CB -0.610 40.633 42.059 -1.361 0.000 0.959 437 L HN 0.774 nan 8.230 nan 0.000 0.457 438 G N -1.274 107.365 108.800 -0.269 0.000 3.380 438 G HA2 0.365 4.326 3.960 0.000 0.000 0.188 438 G HA3 0.365 4.326 3.960 0.000 0.000 0.188 438 G C -0.728 174.133 174.900 -0.066 0.000 1.892 438 G CA 0.010 44.984 45.100 -0.210 0.000 0.912 438 G HN -0.099 nan 8.290 nan 0.000 0.609 439 V N 1.015 120.921 119.914 -0.015 0.000 2.435 439 V HA 0.508 4.628 4.120 0.000 0.000 0.290 439 V C 1.537 177.680 176.094 0.082 0.000 1.030 439 V CA 0.210 62.531 62.300 0.035 0.000 0.881 439 V CB 1.179 33.024 31.823 0.037 0.000 0.983 439 V HN 0.740 nan 8.190 nan 0.000 0.445 440 G N 3.712 112.584 108.800 0.119 0.000 2.433 440 G HA2 -0.146 3.814 3.960 0.000 0.000 0.216 440 G HA3 -0.146 3.814 3.960 0.000 0.000 0.216 440 G C 0.154 175.245 174.900 0.317 0.000 1.186 440 G CA 0.957 46.164 45.100 0.178 0.000 0.779 440 G HN 0.491 nan 8.290 nan 0.000 0.543 441 F N 0.773 120.800 119.950 0.130 0.000 2.579 441 F HA 0.646 5.173 4.527 0.000 0.000 0.325 441 F C -0.100 175.776 175.800 0.126 0.000 1.162 441 F CA -1.018 57.074 58.000 0.153 0.000 0.946 441 F CB 1.693 40.757 39.000 0.106 0.000 1.211 441 F HN 0.199 nan 8.300 nan 0.000 0.447 442 G N 6.959 115.512 108.800 -0.411 0.000 2.542 442 G HA2 0.733 4.694 3.960 0.000 0.000 0.311 442 G HA3 0.733 4.694 3.960 0.000 0.000 0.311 442 G C -1.475 173.171 174.900 -0.424 0.000 1.298 442 G CA -0.884 44.052 45.100 -0.273 0.000 0.973 442 G HN 0.903 nan 8.290 nan 0.000 0.487 443 M N 0.564 120.020 119.600 -0.240 0.000 2.895 443 M HA 0.684 5.164 4.480 0.000 0.000 0.271 443 M C -2.251 174.021 176.300 -0.046 0.000 1.174 443 M CA -0.990 54.211 55.300 -0.164 0.000 0.816 443 M CB 2.419 34.893 32.600 -0.209 0.000 1.647 443 M HN 0.565 nan 8.290 nan 0.000 0.506 444 D N -0.496 119.909 120.400 0.008 0.000 2.744 444 D HA 0.933 5.573 4.640 0.000 0.000 0.304 444 D C -0.199 176.136 176.300 0.059 0.000 1.179 444 D CA 0.251 54.279 54.000 0.047 0.000 1.024 444 D CB 1.500 42.382 40.800 0.137 0.000 1.453 444 D HN 1.358 nan 8.370 nan 0.000 0.529 445 G N -0.967 107.876 108.800 0.072 0.000 2.392 445 G HA2 0.315 4.275 3.960 0.000 0.000 0.677 445 G HA3 0.315 4.275 3.960 0.000 0.000 0.677 445 G C -1.612 173.307 174.900 0.031 0.000 1.334 445 G CA -0.551 44.564 45.100 0.025 0.000 0.961 445 G HN 0.640 nan 8.290 nan 0.000 0.616 446 K N -0.421 119.976 120.400 -0.006 0.000 2.318 446 K HA 0.622 4.942 4.320 0.000 0.000 0.249 446 K C 1.015 177.579 176.600 -0.061 0.000 0.942 446 K CA 0.168 56.455 56.287 -0.001 0.000 0.808 446 K CB 1.462 33.995 32.500 0.054 0.000 1.189 446 K HN 2.427 nan 8.250 nan 0.000 0.428 447 G N 3.044 111.783 108.800 -0.102 0.000 2.198 447 G HA2 -0.204 3.756 3.960 0.000 0.000 0.260 447 G HA3 -0.204 3.756 3.960 0.000 0.000 0.260 447 G C -0.037 174.793 174.900 -0.117 0.000 1.025 447 G CA 0.282 45.314 45.100 -0.114 0.000 0.769 447 G HN 0.319 nan 8.290 nan 0.000 0.507 448 M N -0.664 118.824 119.600 -0.187 0.000 2.250 448 M HA 0.528 5.008 4.480 0.000 0.000 0.344 448 M C -0.102 175.972 176.300 -0.376 0.000 1.150 448 M CA -0.641 54.555 55.300 -0.174 0.000 1.147 448 M CB 0.569 33.076 32.600 -0.154 0.000 1.498 448 M HN 0.107 nan 8.290 nan 0.000 0.461 449 Y N 0.687 120.871 120.300 -0.192 0.000 2.331 449 Y HA 0.566 5.116 4.550 0.000 0.000 0.334 449 Y C -0.335 175.454 175.900 -0.185 0.000 0.960 449 Y CA -0.619 57.355 58.100 -0.211 0.000 1.130 449 Y CB 1.710 40.093 38.460 -0.128 0.000 1.164 449 Y HN 0.350 nan 8.280 nan 0.000 0.458 450 V N 3.321 123.130 119.914 -0.175 0.000 2.656 450 V HA 0.744 4.865 4.120 0.000 0.000 0.307 450 V C -0.805 175.272 176.094 -0.028 0.000 1.051 450 V CA -0.770 61.485 62.300 -0.076 0.000 0.893 450 V CB 2.034 33.819 31.823 -0.064 0.000 0.999 450 V HN 0.769 nan 8.190 nan 0.000 0.426 451 S N 2.658 118.349 115.700 -0.015 0.000 2.541 451 S HA 0.605 5.076 4.470 0.000 0.000 0.271 451 S C -0.577 173.989 174.600 -0.056 0.000 1.133 451 S CA -0.849 57.341 58.200 -0.017 0.000 0.876 451 S CB 1.795 64.997 63.200 0.003 0.000 1.105 451 S HN 0.782 nan 8.310 nan 0.000 0.470 452 N N 0.736 119.406 118.700 -0.050 0.000 2.681 452 N HA -0.105 4.635 4.740 0.000 0.000 0.259 452 N C -1.089 174.351 175.510 -0.117 0.000 1.066 452 N CA 0.700 53.711 53.050 -0.065 0.000 0.717 452 N CB -1.148 37.313 38.487 -0.044 0.000 0.885 452 N HN 0.683 nan 8.380 nan 0.000 0.547 453 I N 0.732 121.208 120.570 -0.158 0.000 2.378 453 I HA 0.311 4.481 4.170 0.000 0.000 0.291 453 I C 0.658 176.683 176.117 -0.154 0.000 0.992 453 I CA -0.148 61.002 61.300 -0.250 0.000 1.154 453 I CB 1.765 39.478 38.000 -0.478 0.000 1.315 453 I HN -0.057 nan 8.210 nan 0.000 0.448 454 T N 5.706 120.194 114.554 -0.111 0.000 2.815 454 T HA 0.574 4.925 4.350 0.000 0.000 0.289 454 T C -0.232 174.455 174.700 -0.022 0.000 1.000 454 T CA -0.456 61.612 62.100 -0.053 0.000 0.958 454 T CB 1.856 70.706 68.868 -0.030 0.000 0.944 454 T HN 0.239 nan 8.240 nan 0.000 0.442 455 V N 4.588 124.497 119.914 -0.008 0.000 2.487 455 V HA 0.630 4.750 4.120 0.000 0.000 0.298 455 V C -0.274 175.830 176.094 0.016 0.000 1.028 455 V CA -0.851 61.465 62.300 0.026 0.000 0.860 455 V CB 1.590 33.446 31.823 0.055 0.000 0.991 455 V HN 0.982 nan 8.190 nan 0.000 0.427 456 E N 2.637 122.845 120.200 0.013 0.000 2.390 456 E HA 0.506 4.856 4.350 0.000 0.000 0.277 456 E C -1.016 175.588 176.600 0.006 0.000 0.939 456 E CA -0.904 55.501 56.400 0.008 0.000 0.769 456 E CB 2.062 31.765 29.700 0.004 0.000 1.251 456 E HN 0.444 nan 8.360 nan 0.000 0.450 457 D N 0.449 120.859 120.400 0.017 0.000 2.812 457 D HA -0.164 4.476 4.640 0.000 0.000 0.237 457 D C -1.542 174.786 176.300 0.046 0.000 1.162 457 D CA 0.457 54.477 54.000 0.033 0.000 0.740 457 D CB -1.175 39.648 40.800 0.037 0.000 1.000 457 D HN 0.589 nan 8.370 nan 0.000 0.416 458 C N 1.142 120.466 119.300 0.040 0.000 2.417 458 C HA 0.842 5.302 4.460 0.000 0.000 0.324 458 C C 1.896 176.899 174.990 0.023 0.000 1.240 458 C CA -0.126 58.921 59.018 0.049 0.000 1.632 458 C CB 1.046 28.806 27.740 0.033 0.000 2.241 458 C HN 0.627 nan 8.230 nan 0.000 0.499 459 A N 2.668 125.507 122.820 0.032 0.000 1.929 459 A HA 0.328 4.648 4.320 0.000 0.000 0.216 459 A C 1.233 178.690 177.584 -0.211 0.000 1.176 459 A CA 1.469 53.452 52.037 -0.091 0.000 0.628 459 A CB -0.568 18.398 19.000 -0.057 0.000 0.816 459 A HN 1.000 nan 8.150 nan 0.000 0.444 460 G N -1.388 107.369 108.800 -0.072 0.000 2.557 460 G HA2 0.417 4.377 3.960 0.000 0.000 0.302 460 G HA3 0.417 4.377 3.960 0.000 0.000 0.302 460 G C 0.003 174.898 174.900 -0.009 0.000 1.311 460 G CA 0.232 45.330 45.100 -0.004 0.000 1.030 460 G HN 0.217 nan 8.290 nan 0.000 0.509 461 S N -1.293 114.417 115.700 0.018 0.000 2.558 461 S HA 0.239 4.709 4.470 0.000 0.000 0.291 461 S C 1.725 176.365 174.600 0.068 0.000 1.306 461 S CA 0.416 58.643 58.200 0.044 0.000 1.056 461 S CB 0.607 63.848 63.200 0.068 0.000 0.836 461 S HN 0.854 nan 8.310 nan 0.000 0.504 462 G N 2.896 111.741 108.800 0.074 0.000 2.394 462 G HA2 0.374 4.334 3.960 0.000 0.000 0.214 462 G HA3 0.374 4.334 3.960 0.000 0.000 0.214 462 G C 0.184 175.171 174.900 0.144 0.000 1.176 462 G CA 0.655 45.808 45.100 0.088 0.000 0.786 462 G HN 1.115 nan 8.290 nan 0.000 0.533 463 A N -1.580 121.330 122.820 0.150 0.000 2.488 463 A HA 0.612 4.932 4.320 0.000 0.000 0.298 463 A C -2.110 175.600 177.584 0.210 0.000 1.044 463 A CA -0.562 51.591 52.037 0.194 0.000 0.693 463 A CB 1.401 20.491 19.000 0.150 0.000 1.272 463 A HN 0.310 nan 8.150 nan 0.000 0.402 464 Y N 2.900 123.229 120.300 0.049 0.000 2.426 464 Y HA 0.611 5.162 4.550 0.000 0.000 0.325 464 Y C -1.363 174.543 175.900 0.009 0.000 0.989 464 Y CA -0.787 57.353 58.100 0.068 0.000 1.284 464 Y CB 1.190 39.677 38.460 0.046 0.000 1.104 464 Y HN 0.553 nan 8.280 nan 0.000 0.481 465 L N 7.521 128.581 121.223 -0.272 0.000 2.295 465 L HA 0.414 4.754 4.340 0.000 0.000 0.281 465 L C -0.443 176.226 176.870 -0.334 0.000 1.018 465 L CA -0.504 54.186 54.840 -0.251 0.000 0.841 465 L CB 1.267 43.166 42.059 -0.266 0.000 1.218 465 L HN 0.591 nan 8.230 nan 0.000 0.424 466 L N 3.828 124.895 121.223 -0.260 0.000 2.865 466 L HA 0.241 4.581 4.340 0.000 0.000 0.233 466 L C 0.471 177.289 176.870 -0.088 0.000 1.320 466 L CA -0.140 54.548 54.840 -0.254 0.000 1.225 466 L CB -0.528 41.278 42.059 -0.422 0.000 1.542 466 L HN 0.652 nan 8.230 nan 0.000 0.432 467 T N -3.983 110.552 114.554 -0.032 0.000 2.940 467 T HA 0.581 4.931 4.350 0.000 0.000 0.288 467 T C -0.803 173.969 174.700 0.120 0.000 1.033 467 T CA -0.782 61.365 62.100 0.080 0.000 1.033 467 T CB 2.605 71.588 68.868 0.192 0.000 1.079 467 T HN 0.219 nan 8.240 nan 0.000 0.496 468 H N -0.388 118.681 119.070 -0.001 0.000 2.806 468 H HA 0.357 4.913 4.556 0.000 0.000 0.367 468 H C -0.385 174.922 175.328 -0.035 0.000 1.136 468 H CA -0.596 55.443 56.048 -0.015 0.000 1.178 468 H CB 1.309 31.071 29.762 -0.000 0.000 1.718 468 H HN 0.945 nan 8.280 nan 0.000 0.540 469 E N 1.427 121.317 120.200 -0.517 0.000 2.328 469 E HA -0.158 4.192 4.350 0.000 0.000 0.233 469 E C -0.747 175.681 176.600 -0.286 0.000 1.219 469 E CA 1.004 57.156 56.400 -0.413 0.000 0.717 469 E CB -1.177 28.265 29.700 -0.430 0.000 1.210 469 E HN 0.453 nan 8.360 nan 0.000 0.381 470 S N -0.444 115.106 115.700 -0.250 0.000 2.600 470 S HA 0.652 5.122 4.470 0.000 0.000 0.300 470 S C -0.152 174.170 174.600 -0.463 0.000 1.087 470 S CA -0.801 57.166 58.200 -0.388 0.000 0.965 470 S CB 2.692 65.701 63.200 -0.320 0.000 1.089 470 S HN 0.099 nan 8.310 nan 0.000 0.496 471 V N 2.236 121.695 119.914 -0.758 0.000 2.540 471 V HA 0.557 4.677 4.120 0.000 0.000 0.302 471 V C -1.510 174.164 176.094 -0.701 0.000 1.035 471 V CA -0.560 61.390 62.300 -0.582 0.000 0.873 471 V CB 1.037 32.489 31.823 -0.618 0.000 0.992 471 V HN 0.790 nan 8.190 nan 0.000 0.428 472 F N 1.747 121.633 119.950 -0.107 0.000 2.460 472 F HA 0.603 5.130 4.527 0.000 0.000 0.341 472 F C 0.507 176.279 175.800 -0.047 0.000 1.130 472 F CA -0.418 57.545 58.000 -0.062 0.000 0.962 472 F CB 2.168 41.135 39.000 -0.056 0.000 1.171 472 F HN 0.335 nan 8.300 nan 0.000 0.436 473 T N 2.570 117.176 114.554 0.087 0.000 2.792 473 T HA 0.265 4.616 4.350 0.000 0.000 0.280 473 T C -0.347 174.374 174.700 0.035 0.000 0.990 473 T CA -0.831 61.301 62.100 0.052 0.000 0.960 473 T CB 0.967 69.856 68.868 0.036 0.000 0.939 473 T HN 0.602 nan 8.240 nan 0.000 0.439 474 N N 2.605 121.318 118.700 0.022 0.000 2.648 474 N HA -0.149 4.591 4.740 0.000 0.000 0.265 474 N C -0.949 174.553 175.510 -0.012 0.000 1.100 474 N CA 0.224 53.275 53.050 0.002 0.000 0.715 474 N CB -1.108 37.376 38.487 -0.006 0.000 0.881 474 N HN 0.474 nan 8.380 nan 0.000 0.548 475 I N 0.444 121.009 120.570 -0.010 0.000 2.392 475 I HA 0.637 4.807 4.170 0.000 0.000 0.295 475 I C 0.746 176.841 176.117 -0.038 0.000 0.985 475 I CA -1.050 60.228 61.300 -0.036 0.000 1.221 475 I CB 1.117 39.096 38.000 -0.034 0.000 1.366 475 I HN 0.418 nan 8.210 nan 0.000 0.467 476 A N 7.747 130.539 122.820 -0.046 0.000 2.332 476 A HA 0.746 5.066 4.320 0.000 0.000 0.300 476 A C -0.797 176.770 177.584 -0.027 0.000 1.153 476 A CA -0.425 51.593 52.037 -0.031 0.000 0.764 476 A CB 0.860 19.845 19.000 -0.026 0.000 1.174 476 A HN 0.468 nan 8.150 nan 0.000 0.467 477 I N 4.980 125.539 120.570 -0.018 0.000 2.464 477 I HA 0.288 4.458 4.170 0.000 0.000 0.277 477 I C -0.801 175.315 176.117 -0.001 0.000 1.040 477 I CA -0.314 60.983 61.300 -0.005 0.000 1.153 477 I CB 0.856 38.853 38.000 -0.004 0.000 1.274 477 I HN 0.408 nan 8.210 nan 0.000 0.469 478 I N 5.217 125.788 120.570 0.002 0.000 2.354 478 I HA 0.274 4.444 4.170 0.000 0.000 0.286 478 I C -0.205 175.917 176.117 0.008 0.000 1.007 478 I CA -0.351 60.951 61.300 0.003 0.000 1.167 478 I CB 0.974 38.975 38.000 0.002 0.000 1.320 478 I HN 0.447 nan 8.210 nan 0.000 0.458 479 D N 3.495 123.899 120.400 0.007 0.000 2.956 479 D HA -0.136 4.504 4.640 0.000 0.000 0.240 479 D C 0.439 176.743 176.300 0.007 0.000 1.141 479 D CA 0.908 54.912 54.000 0.007 0.000 0.820 479 D CB -0.421 40.386 40.800 0.012 0.000 0.988 479 D HN 0.789 nan 8.370 nan 0.000 0.417 480 T N -2.566 111.990 114.554 0.002 0.000 2.910 480 T HA 0.564 4.914 4.350 0.000 0.000 0.287 480 T C 0.648 175.334 174.700 -0.025 0.000 1.050 480 T CA -0.309 61.790 62.100 -0.002 0.000 1.011 480 T CB 1.999 70.876 68.868 0.016 0.000 1.195 480 T HN 0.098 nan 8.240 nan 0.000 0.540 481 N N -0.144 118.528 118.700 -0.047 0.000 2.735 481 N HA -0.205 4.535 4.740 0.000 0.000 0.248 481 N C 0.911 176.338 175.510 -0.139 0.000 1.083 481 N CA 1.313 54.307 53.050 -0.094 0.000 0.703 481 N CB -1.553 36.906 38.487 -0.046 0.000 1.005 481 N HN 1.004 nan 8.380 nan 0.000 0.550 482 T N -3.610 110.863 114.554 -0.136 0.000 3.051 482 T HA -0.069 4.281 4.350 0.000 0.000 0.269 482 T C 1.153 175.727 174.700 -0.209 0.000 1.127 482 T CA 1.116 63.142 62.100 -0.123 0.000 1.107 482 T CB 0.000 68.833 68.868 -0.058 0.000 0.898 482 T HN 0.389 nan 8.240 nan 0.000 0.517 483 K N 0.630 120.778 120.400 -0.419 0.000 2.414 483 K HA 0.128 4.448 4.320 0.000 0.000 0.204 483 K C -0.181 176.069 176.600 -0.583 0.000 1.026 483 K CA -0.099 55.813 56.287 -0.624 0.000 1.108 483 K CB 0.438 32.197 32.500 -1.234 0.000 0.855 483 K HN 0.239 nan 8.250 nan 0.000 0.517 484 D N 0.630 120.832 120.400 -0.330 0.000 2.792 484 D HA -0.207 4.433 4.640 0.000 0.000 0.231 484 D C 0.429 176.727 176.300 -0.004 0.000 1.160 484 D CA 0.636 54.554 54.000 -0.137 0.000 0.697 484 D CB -0.604 40.158 40.800 -0.063 0.000 1.070 484 D HN 0.183 nan 8.370 nan 0.000 0.426 485 F N 0.181 120.083 119.950 -0.079 0.000 2.186 485 F HA -0.012 4.515 4.527 0.000 0.000 0.299 485 F C 1.909 177.643 175.800 -0.110 0.000 1.090 485 F CA 1.058 58.989 58.000 -0.115 0.000 1.307 485 F CB -0.238 38.661 39.000 -0.168 0.000 1.019 485 F HN 0.047 nan 8.300 nan 0.000 0.489 486 Q N -1.774 118.080 119.800 0.090 0.000 2.252 486 Q HA 0.656 4.996 4.340 0.000 0.000 0.256 486 Q C 0.995 177.000 176.000 0.009 0.000 1.020 486 Q CA 0.030 55.845 55.803 0.019 0.000 0.913 486 Q CB 1.447 30.190 28.738 0.007 0.000 1.286 486 Q HN 0.039 nan 8.270 nan 0.000 0.480 487 A N 0.795 123.613 122.820 -0.004 0.000 2.169 487 A HA 0.088 4.408 4.320 0.000 0.000 0.212 487 A C 0.042 177.637 177.584 0.018 0.000 1.153 487 A CA 0.905 52.941 52.037 -0.001 0.000 0.756 487 A CB -0.565 18.422 19.000 -0.023 0.000 0.813 487 A HN 0.705 nan 8.150 nan 0.000 0.471 488 N N -2.825 115.896 118.700 0.036 0.000 3.116 488 N HA 0.150 4.890 4.740 0.000 0.000 0.244 488 N C -0.374 175.172 175.510 0.059 0.000 1.485 488 N CA -0.627 52.455 53.050 0.054 0.000 0.884 488 N CB 0.470 39.010 38.487 0.088 0.000 1.415 488 N HN 0.006 nan 8.380 nan 0.000 0.524 489 Q N -0.120 119.711 119.800 0.050 0.000 2.204 489 Q HA 0.310 4.650 4.340 0.000 0.000 0.198 489 Q C 0.247 176.286 176.000 0.066 0.000 0.946 489 Q CA 0.851 56.681 55.803 0.044 0.000 0.859 489 Q CB 0.794 29.546 28.738 0.023 0.000 0.946 489 Q HN 0.572 nan 8.270 nan 0.000 0.474 490 I N -0.533 120.076 120.570 0.065 0.000 2.534 490 I HA 0.309 4.480 4.170 0.000 0.000 0.288 490 I C -1.960 174.208 176.117 0.085 0.000 1.077 490 I CA -1.126 60.207 61.300 0.055 0.000 1.051 490 I CB 1.738 39.724 38.000 -0.023 0.000 1.234 490 I HN -0.088 nan 8.210 nan 0.000 0.425 491 Y N 7.956 128.218 120.300 -0.064 0.000 2.376 491 Y HA 0.737 5.287 4.550 0.000 0.000 0.340 491 Y C -1.506 174.248 175.900 -0.244 0.000 0.965 491 Y CA -0.936 57.086 58.100 -0.130 0.000 1.078 491 Y CB 1.467 39.862 38.460 -0.108 0.000 1.193 491 Y HN 0.411 nan 8.280 nan 0.000 0.452 492 I N 5.764 125.772 120.570 -0.936 0.000 2.478 492 I HA 0.223 4.393 4.170 0.000 0.000 0.287 492 I C 0.513 176.030 176.117 -1.000 0.000 1.042 492 I CA -0.436 60.382 61.300 -0.802 0.000 1.067 492 I CB 2.381 40.114 38.000 -0.444 0.000 1.233 492 I HN 0.793 nan 8.210 nan 0.000 0.431 493 S N 3.957 119.155 115.700 -0.837 0.000 2.356 493 S HA 0.111 4.581 4.470 0.000 0.000 0.219 493 S C 1.118 175.593 174.600 -0.207 0.000 1.036 493 S CA 0.433 58.335 58.200 -0.497 0.000 0.965 493 S CB -0.242 62.816 63.200 -0.237 0.000 0.864 493 S HN 0.675 nan 8.310 nan 0.000 0.471 494 G N 0.808 109.545 108.800 -0.105 0.000 2.535 494 G HA2 0.563 4.523 3.960 0.000 0.000 0.282 494 G HA3 0.563 4.523 3.960 0.000 0.000 0.282 494 G C -0.193 174.777 174.900 0.116 0.000 1.350 494 G CA -0.460 44.685 45.100 0.075 0.000 1.039 494 G HN 0.753 nan 8.290 nan 0.000 0.509 495 A N -0.815 122.185 122.820 0.301 0.000 2.671 495 A HA 0.505 4.825 4.320 0.000 0.000 0.306 495 A C 0.132 177.700 177.584 -0.028 0.000 1.473 495 A CA -0.296 51.795 52.037 0.091 0.000 1.155 495 A CB -0.989 18.073 19.000 0.102 0.000 1.123 495 A HN 0.614 nan 8.150 nan 0.000 0.545 496 C N 1.703 120.997 119.300 -0.010 0.000 2.771 496 C HA 0.795 5.255 4.460 0.000 0.000 0.333 496 C C 0.044 175.035 174.990 0.002 0.000 1.267 496 C CA -1.023 57.998 59.018 0.004 0.000 1.721 496 C CB 1.724 29.541 27.740 0.129 0.000 2.222 496 C HN 0.788 nan 8.230 nan 0.000 0.485 497 R N 0.937 121.447 120.500 0.016 0.000 2.480 497 R HA 0.679 5.019 4.340 0.000 0.000 0.306 497 R C -1.661 174.688 176.300 0.083 0.000 0.958 497 R CA -0.375 55.730 56.100 0.007 0.000 0.861 497 R CB 1.585 31.856 30.300 -0.049 0.000 1.171 497 R HN 0.549 nan 8.270 nan 0.000 0.445 498 V N 3.534 123.484 119.914 0.061 0.000 2.444 498 V HA 0.308 4.428 4.120 0.000 0.000 0.294 498 V C -0.131 175.985 176.094 0.036 0.000 1.022 498 V CA -0.913 61.436 62.300 0.081 0.000 0.850 498 V CB 1.775 33.613 31.823 0.024 0.000 0.992 498 V HN 0.540 nan 8.190 nan 0.000 0.426 499 N N 3.890 122.616 118.700 0.043 0.000 2.626 499 N HA 0.552 5.292 4.740 0.000 0.000 0.242 499 N C -0.043 175.479 175.510 0.020 0.000 1.005 499 N CA 0.604 53.666 53.050 0.021 0.000 0.905 499 N CB 1.410 39.908 38.487 0.019 0.000 1.128 499 N HN 1.110 nan 8.380 nan 0.000 0.512 500 G N 2.111 110.917 108.800 0.009 0.000 3.251 500 G HA2 -0.064 3.896 3.960 0.000 0.000 0.680 500 G HA3 -0.064 3.896 3.960 0.000 0.000 0.680 500 G C -1.577 173.323 174.900 -0.000 0.000 1.129 500 G CA -0.539 44.563 45.100 0.003 0.000 0.994 500 G HN 0.595 nan 8.290 nan 0.000 0.450 501 L N 3.192 124.409 121.223 -0.009 0.000 2.446 501 L HA 0.729 5.069 4.340 0.000 0.000 0.268 501 L C 0.121 176.981 176.870 -0.016 0.000 0.975 501 L CA -0.942 53.888 54.840 -0.017 0.000 0.848 501 L CB 1.237 43.279 42.059 -0.027 0.000 1.225 501 L HN 0.600 nan 8.230 nan 0.000 0.410 502 R N 5.813 126.303 120.500 -0.016 0.000 2.265 502 R HA 0.746 5.086 4.340 0.000 0.000 0.319 502 R C -1.265 175.027 176.300 -0.012 0.000 1.006 502 R CA -0.657 55.436 56.100 -0.012 0.000 0.880 502 R CB 1.360 31.653 30.300 -0.011 0.000 1.077 502 R HN 0.561 nan 8.270 nan 0.000 0.454 503 L N 3.815 125.033 121.223 -0.008 0.000 2.370 503 L HA 0.561 4.901 4.340 0.000 0.000 0.266 503 L C -0.662 176.208 176.870 -0.000 0.000 1.002 503 L CA -1.224 53.613 54.840 -0.005 0.000 0.818 503 L CB 1.724 43.780 42.059 -0.006 0.000 1.325 503 L HN 0.438 nan 8.230 nan 0.000 0.418 504 I N 0.725 121.296 120.570 0.002 0.000 8.362 504 I HA -0.161 4.009 4.170 0.000 0.000 0.126 504 I C 0.540 176.660 176.117 0.004 0.000 1.855 504 I CA 0.788 62.091 61.300 0.005 0.000 2.037 504 I CB -1.626 36.379 38.000 0.008 0.000 3.817 504 I HN 0.926 nan 8.210 nan 0.000 0.169 505 G N 5.189 113.992 108.800 0.005 0.000 2.968 505 G HA2 0.525 4.485 3.960 0.000 0.000 0.206 505 G HA3 0.525 4.485 3.960 0.000 0.000 0.206 505 G C 0.931 175.834 174.900 0.006 0.000 2.051 505 G CA 0.527 45.630 45.100 0.005 0.000 0.773 505 G HN 0.659 nan 8.290 nan 0.000 0.741 506 I N -0.031 120.544 120.570 0.008 0.000 4.082 506 I HA 0.382 4.552 4.170 0.000 0.000 0.337 506 I C 1.614 177.738 176.117 0.010 0.000 1.352 506 I CA -0.189 61.116 61.300 0.009 0.000 1.097 506 I CB 0.124 38.129 38.000 0.009 0.000 1.048 506 I HN 0.127 nan 8.210 nan 0.000 0.393 507 R N -0.114 120.391 120.500 0.009 0.000 1.734 507 R HA 0.488 4.828 4.340 0.000 0.000 0.117 507 R C 0.609 176.913 176.300 0.007 0.000 1.243 507 R CA 0.115 56.220 56.100 0.008 0.000 1.776 507 R CB -0.227 30.077 30.300 0.005 0.000 1.324 507 R HN 0.157 nan 8.270 nan 0.000 0.640 515 T N 0.447 115.015 114.554 0.024 0.000 2.866 515 T HA 0.267 4.617 4.350 0.000 0.000 0.250 515 T C 0.224 174.937 174.700 0.021 0.000 1.033 515 T CA 1.016 63.127 62.100 0.018 0.000 1.145 515 T CB 0.318 69.194 68.868 0.012 0.000 0.866 515 T HN 0.428 nan 8.240 nan 0.000 0.434 516 I N 1.265 121.843 120.570 0.014 0.000 2.498 516 I HA 0.465 4.635 4.170 0.000 0.000 0.290 516 I C -2.041 174.086 176.117 0.017 0.000 1.032 516 I CA -0.842 60.462 61.300 0.006 0.000 1.073 516 I CB 2.064 40.047 38.000 -0.029 0.000 1.251 516 I HN -0.098 nan 8.210 nan 0.000 0.426 517 D N 6.694 127.122 120.400 0.047 0.000 2.440 517 D HA 0.611 5.251 4.640 0.000 0.000 0.252 517 D C -1.016 175.281 176.300 -0.004 0.000 1.180 517 D CA -0.169 53.876 54.000 0.076 0.000 0.894 517 D CB 1.762 42.675 40.800 0.188 0.000 1.111 517 D HN 0.615 nan 8.370 nan 0.000 0.544 518 A N 4.765 127.539 122.820 -0.076 0.000 3.266 518 A HA 0.465 4.785 4.320 0.000 0.000 0.310 518 A C -2.021 175.503 177.584 -0.102 0.000 1.066 518 A CA -1.000 50.937 52.037 -0.167 0.000 0.839 518 A CB 0.966 19.863 19.000 -0.171 0.000 1.192 518 A HN 0.324 nan 8.150 nan 0.000 0.496 519 P HA -0.159 nan 4.420 nan 0.000 0.217 519 P C 0.732 178.012 177.300 -0.034 0.000 1.148 519 P CA 1.448 64.529 63.100 -0.031 0.000 0.834 519 P CB 0.241 31.941 31.700 -0.000 0.000 0.783 520 N N -2.018 116.653 118.700 -0.048 0.000 2.187 520 N HA 0.107 4.847 4.740 0.000 0.000 0.212 520 N C -0.080 175.414 175.510 -0.026 0.000 1.152 520 N CA 0.231 53.267 53.050 -0.024 0.000 0.872 520 N CB 0.435 38.921 38.487 -0.002 0.000 1.025 520 N HN 0.057 nan 8.380 nan 0.000 0.514 521 S N -0.037 115.633 115.700 -0.049 0.000 2.608 521 S HA 0.442 4.912 4.470 0.000 0.000 0.291 521 S C 0.187 174.762 174.600 -0.042 0.000 1.146 521 S CA -0.322 57.851 58.200 -0.045 0.000 1.043 521 S CB 2.115 65.275 63.200 -0.065 0.000 1.037 521 S HN -0.044 nan 8.310 nan 0.000 0.520 522 T N 2.322 116.857 114.554 -0.032 0.000 2.771 522 T HA 0.586 4.936 4.350 0.000 0.000 0.281 522 T C -0.578 174.105 174.700 -0.027 0.000 0.982 522 T CA -0.409 61.673 62.100 -0.031 0.000 0.978 522 T CB 0.852 69.704 68.868 -0.026 0.000 0.930 522 T HN 0.326 nan 8.240 nan 0.000 0.447 523 V N 2.262 122.157 119.914 -0.032 0.000 2.914 523 V HA 0.860 4.980 4.120 0.000 0.000 0.314 523 V C -0.186 175.893 176.094 -0.025 0.000 1.084 523 V CA -0.757 61.526 62.300 -0.028 0.000 0.963 523 V CB 2.240 34.038 31.823 -0.042 0.000 1.025 523 V HN 0.855 nan 8.190 nan 0.000 0.432 524 S N 1.248 116.938 115.700 -0.017 0.000 2.541 524 S HA 0.682 5.152 4.470 0.000 0.000 0.271 524 S C 0.195 174.788 174.600 -0.010 0.000 1.133 524 S CA 0.457 58.648 58.200 -0.014 0.000 0.876 524 S CB 1.599 64.793 63.200 -0.010 0.000 1.105 524 S HN 2.359 nan 8.310 nan 0.000 0.470 525 G N 2.983 111.777 108.800 -0.010 0.000 2.248 525 G HA2 -0.181 3.780 3.960 0.000 0.000 0.263 525 G HA3 -0.181 3.780 3.960 0.000 0.000 0.263 525 G C -0.142 174.753 174.900 -0.009 0.000 1.082 525 G CA 0.199 45.295 45.100 -0.007 0.000 0.863 525 G HN 0.791 nan 8.290 nan 0.000 0.495 526 I N 1.533 122.096 120.570 -0.012 0.000 2.474 526 I HA 0.437 4.607 4.170 0.000 0.000 0.287 526 I C 1.097 177.210 176.117 -0.006 0.000 1.048 526 I CA 0.527 61.820 61.300 -0.012 0.000 1.383 526 I CB 1.158 39.149 38.000 -0.016 0.000 1.412 526 I HN 0.368 nan 8.210 nan 0.000 0.531 527 T N 1.973 116.524 114.554 -0.005 0.000 2.893 527 T HA 0.878 5.229 4.350 0.000 0.000 0.291 527 T C -0.247 174.453 174.700 0.000 0.000 1.028 527 T CA -0.574 61.525 62.100 -0.001 0.000 0.995 527 T CB 2.081 70.948 68.868 -0.001 0.000 1.051 527 T HN 1.147 nan 8.240 nan 0.000 0.470 528 G N 1.638 110.441 108.800 0.005 0.000 2.406 528 G HA2 0.230 4.190 3.960 0.000 0.000 0.680 528 G HA3 0.230 4.190 3.960 0.000 0.000 0.680 528 G C -0.360 174.547 174.900 0.013 0.000 1.338 528 G CA -0.936 44.168 45.100 0.006 0.000 0.941 528 G HN 0.758 nan 8.290 nan 0.000 0.633 529 M N 1.335 120.944 119.600 0.015 0.000 3.742 529 M HA 0.231 4.711 4.480 0.000 0.000 0.197 529 M C 1.022 177.335 176.300 0.020 0.000 1.417 529 M CA -0.270 55.043 55.300 0.022 0.000 1.653 529 M CB -0.647 31.968 32.600 0.025 0.000 1.079 529 M HN 0.508 nan 8.290 nan 0.000 0.558 530 V N 1.665 121.590 119.914 0.018 0.000 2.775 530 V HA 0.097 4.217 4.120 0.000 0.000 0.299 530 V C 0.043 176.152 176.094 0.025 0.000 1.062 530 V CA -0.214 62.097 62.300 0.018 0.000 1.063 530 V CB 1.274 33.104 31.823 0.012 0.000 0.994 530 V HN 0.512 nan 8.190 nan 0.000 0.483 531 D N 6.933 127.349 120.400 0.027 0.000 2.339 531 D HA 0.330 4.970 4.640 0.000 0.000 0.241 531 D C -1.717 174.612 176.300 0.048 0.000 1.183 531 D CA -2.078 51.941 54.000 0.032 0.000 0.859 531 D CB 1.859 42.676 40.800 0.028 0.000 1.067 531 D HN 0.331 nan 8.370 nan 0.000 0.484 532 P HA -0.160 nan 4.420 nan 0.000 0.217 532 P C 1.242 178.661 177.300 0.198 0.000 1.148 532 P CA 1.118 64.294 63.100 0.127 0.000 0.828 532 P CB 0.095 31.872 31.700 0.128 0.000 0.783 533 S N -1.003 114.765 115.700 0.114 0.000 2.515 533 S HA -0.042 4.428 4.470 0.000 0.000 0.231 533 S C 1.547 176.202 174.600 0.092 0.000 0.987 533 S CA 0.442 58.703 58.200 0.102 0.000 0.936 533 S CB -0.706 62.517 63.200 0.038 0.000 0.766 533 S HN 0.158 nan 8.310 nan 0.000 0.528 534 R N 0.360 120.902 120.500 0.070 0.000 2.466 534 R HA 0.457 4.798 4.340 0.000 0.000 0.279 534 R C -0.585 175.735 176.300 0.034 0.000 0.976 534 R CA -0.043 56.085 56.100 0.046 0.000 1.081 534 R CB 0.083 30.403 30.300 0.032 0.000 1.215 534 R HN 0.445 nan 8.270 nan 0.000 0.546 535 I N 0.788 121.377 120.570 0.032 0.000 2.404 535 I HA 0.207 4.377 4.170 0.000 0.000 0.293 535 I C -0.557 175.528 176.117 -0.053 0.000 0.992 535 I CA -0.931 60.355 61.300 -0.023 0.000 1.149 535 I CB 1.687 39.648 38.000 -0.064 0.000 1.315 535 I HN -0.083 nan 8.210 nan 0.000 0.446 536 N N 6.525 125.198 118.700 -0.046 0.000 2.549 536 N HA 0.602 5.342 4.740 0.000 0.000 0.281 536 N C -1.268 174.206 175.510 -0.059 0.000 1.084 536 N CA -0.437 52.585 53.050 -0.047 0.000 0.862 536 N CB 1.504 39.992 38.487 0.002 0.000 1.333 536 N HN 0.433 nan 8.380 nan 0.000 0.523 537 V N 0.242 120.105 119.914 -0.085 0.000 3.181 537 V HA 0.880 5.000 4.120 0.000 0.000 0.308 537 V C 0.826 176.881 176.094 -0.065 0.000 1.214 537 V CA -0.384 61.870 62.300 -0.076 0.000 1.053 537 V CB 1.110 32.882 31.823 -0.085 0.000 1.069 537 V HN 0.426 nan 8.190 nan 0.000 0.441 538 A N 0.702 123.491 122.820 -0.051 0.000 1.898 538 A HA 0.258 4.578 4.320 0.000 0.000 0.214 538 A C 0.901 178.462 177.584 -0.039 0.000 1.183 538 A CA 1.521 53.536 52.037 -0.037 0.000 0.622 538 A CB -0.569 18.415 19.000 -0.027 0.000 0.824 538 A HN 1.062 nan 8.150 nan 0.000 0.444 539 N N -1.473 117.200 118.700 -0.045 0.000 2.431 539 N HA 0.442 5.182 4.740 0.000 0.000 0.275 539 N C -2.385 173.096 175.510 -0.049 0.000 1.091 539 N CA -0.561 52.464 53.050 -0.042 0.000 0.922 539 N CB 1.348 39.818 38.487 -0.028 0.000 1.666 539 N HN 0.114 nan 8.380 nan 0.000 0.484 540 L N 2.944 124.136 121.223 -0.052 0.000 2.381 540 L HA 0.896 5.236 4.340 0.000 0.000 0.274 540 L C -1.393 175.457 176.870 -0.033 0.000 0.988 540 L CA -0.254 54.556 54.840 -0.050 0.000 0.824 540 L CB 1.415 43.431 42.059 -0.072 0.000 1.263 540 L HN 0.710 nan 8.230 nan 0.000 0.410 541 A N 3.619 126.424 122.820 -0.025 0.000 2.589 541 A HA 0.809 5.129 4.320 0.000 0.000 0.296 541 A C -1.554 176.022 177.584 -0.015 0.000 1.062 541 A CA -0.626 51.400 52.037 -0.018 0.000 0.686 541 A CB 1.501 20.492 19.000 -0.016 0.000 1.282 541 A HN 0.476 nan 8.150 nan 0.000 0.404 542 E N 1.987 122.179 120.200 -0.012 0.000 2.683 542 E HA 0.224 4.575 4.350 0.000 0.000 0.224 542 E C -0.173 176.422 176.600 -0.009 0.000 1.046 542 E CA -0.481 55.913 56.400 -0.010 0.000 0.811 542 E CB 0.984 30.678 29.700 -0.009 0.000 1.296 542 E HN 0.643 nan 8.360 nan 0.000 0.421 543 E N 0.682 120.877 120.200 -0.008 0.000 2.208 543 E HA -0.039 4.311 4.350 0.000 0.000 0.193 543 E C 1.039 177.635 176.600 -0.007 0.000 0.988 543 E CA 0.651 57.047 56.400 -0.008 0.000 0.828 543 E CB 0.320 30.016 29.700 -0.008 0.000 0.763 543 E HN 0.415 nan 8.360 nan 0.000 0.478 544 G N 1.075 109.871 108.800 -0.006 0.000 4.433 544 G HA2 0.382 4.342 3.960 0.000 0.000 0.304 544 G HA3 0.382 4.342 3.960 0.000 0.000 0.304 544 G C 0.165 175.062 174.900 -0.004 0.000 1.254 544 G CA -0.355 44.742 45.100 -0.005 0.000 0.999 544 G HN -0.051 nan 8.290 nan 0.000 0.576 545 L N 0.288 121.508 121.223 -0.005 0.000 2.439 545 L HA 0.601 4.942 4.340 0.000 0.000 0.261 545 L C 1.387 178.254 176.870 -0.004 0.000 1.153 545 L CA -0.621 54.216 54.840 -0.004 0.000 0.808 545 L CB 1.091 43.147 42.059 -0.005 0.000 1.126 545 L HN 0.239 nan 8.230 nan 0.000 0.460 546 G N 0.296 109.095 108.800 -0.003 0.000 2.630 546 G HA2 0.145 4.105 3.960 0.000 0.000 0.223 546 G HA3 0.145 4.105 3.960 0.000 0.000 0.223 546 G C -0.144 174.754 174.900 -0.003 0.000 1.434 546 G CA -0.732 44.367 45.100 -0.003 0.000 1.057 546 G HN 0.603 nan 8.290 nan 0.000 0.570 547 N N -0.121 118.577 118.700 -0.003 0.000 2.454 547 N HA 0.142 4.882 4.740 0.000 0.000 0.254 547 N C -0.382 175.126 175.510 -0.003 0.000 1.228 547 N CA 0.494 53.541 53.050 -0.004 0.000 0.900 547 N CB 1.206 39.691 38.487 -0.003 0.000 1.089 547 N HN 0.205 nan 8.380 nan 0.000 0.449 548 I N 1.077 121.643 120.570 -0.006 0.000 2.603 548 I HA 0.394 4.565 4.170 0.000 0.000 0.300 548 I C 0.390 176.502 176.117 -0.008 0.000 1.017 548 I CA -0.754 60.542 61.300 -0.006 0.000 1.098 548 I CB 2.080 40.074 38.000 -0.010 0.000 1.279 548 I HN 0.240 nan 8.210 nan 0.000 0.437 549 R N 4.131 124.629 120.500 -0.003 0.000 2.532 549 R HA 0.755 5.096 4.340 0.000 0.000 0.297 549 R C -1.427 174.871 176.300 -0.003 0.000 0.984 549 R CA -0.574 55.522 56.100 -0.007 0.000 0.884 549 R CB 1.850 32.148 30.300 -0.002 0.000 1.182 549 R HN 0.753 nan 8.270 nan 0.000 0.442 550 A N 4.768 127.578 122.820 -0.016 0.000 2.253 550 A HA 0.366 4.686 4.320 0.000 0.000 0.316 550 A C -0.822 176.750 177.584 -0.020 0.000 1.327 550 A CA -0.762 51.268 52.037 -0.011 0.000 0.917 550 A CB 0.425 19.406 19.000 -0.032 0.000 1.162 550 A HN 0.805 nan 8.150 nan 0.000 0.535 551 N N 1.887 120.593 118.700 0.010 0.000 2.437 551 N HA 0.234 4.975 4.740 0.000 0.000 0.259 551 N C -0.863 174.620 175.510 -0.045 0.000 0.983 551 N CA -0.006 53.016 53.050 -0.047 0.000 0.937 551 N CB 1.810 40.327 38.487 0.050 0.000 1.122 551 N HN 0.498 nan 8.380 nan 0.000 0.499 552 S N 2.614 118.207 115.700 -0.180 0.000 2.442 552 S HA 0.594 5.064 4.470 0.000 0.000 0.297 552 S C -1.014 173.416 174.600 -0.283 0.000 1.131 552 S CA -0.546 57.620 58.200 -0.057 0.000 1.092 552 S CB 0.105 63.319 63.200 0.024 0.000 0.998 552 S HN 0.304 nan 8.310 nan 0.000 0.478 553 F N 2.201 122.191 119.950 0.066 0.000 2.495 553 F HA 0.608 5.135 4.527 0.000 0.000 0.327 553 F C 1.358 177.040 175.800 -0.197 0.000 1.103 553 F CA -0.076 57.904 58.000 -0.034 0.000 0.949 553 F CB 1.923 40.898 39.000 -0.041 0.000 1.142 553 F HN 0.812 nan 8.300 nan 0.000 0.457 554 G N 1.221 109.986 108.800 -0.058 0.000 2.168 554 G HA2 -0.307 3.653 3.960 0.000 0.000 0.263 554 G HA3 -0.307 3.653 3.960 0.000 0.000 0.263 554 G C -0.638 174.002 174.900 -0.432 0.000 0.977 554 G CA 0.096 45.026 45.100 -0.283 0.000 0.659 554 G HN 0.534 nan 8.290 nan 0.000 0.533 555 Y N -0.904 119.417 120.300 0.036 0.000 2.602 555 Y HA 0.570 5.120 4.550 0.000 0.000 0.342 555 Y C 0.634 176.536 175.900 0.003 0.000 1.029 555 Y CA -1.350 56.764 58.100 0.023 0.000 1.080 555 Y CB 1.106 39.583 38.460 0.028 0.000 1.284 555 Y HN -0.064 nan 8.280 nan 0.000 0.485 556 D N 0.315 120.837 120.400 0.203 0.000 2.328 556 D HA 0.070 4.711 4.640 0.000 0.000 0.226 556 D C -0.257 176.091 176.300 0.080 0.000 1.066 556 D CA 0.502 54.568 54.000 0.109 0.000 0.861 556 D CB 0.245 41.105 40.800 0.099 0.000 0.912 556 D HN 0.437 nan 8.370 nan 0.000 0.521 557 S N -0.981 114.765 115.700 0.077 0.000 2.607 557 S HA 0.772 5.242 4.470 0.000 0.000 0.273 557 S C -0.915 173.662 174.600 -0.038 0.000 1.148 557 S CA -1.001 57.166 58.200 -0.055 0.000 0.833 557 S CB 2.669 65.787 63.200 -0.136 0.000 1.130 557 S HN 0.005 nan 8.310 nan 0.000 0.470 558 A N 0.349 123.106 122.820 -0.106 0.000 2.380 558 A HA 1.028 5.348 4.320 0.000 0.000 0.315 558 A C -0.278 177.254 177.584 -0.086 0.000 1.101 558 A CA -0.582 51.413 52.037 -0.071 0.000 0.771 558 A CB 1.326 20.275 19.000 -0.086 0.000 1.287 558 A HN 2.090 nan 8.150 nan 0.000 0.436 559 A N 0.853 123.613 122.820 -0.099 0.000 2.574 559 A HA 0.739 5.059 4.320 0.000 0.000 0.297 559 A C -1.334 176.127 177.584 -0.205 0.000 1.062 559 A CA -0.303 51.606 52.037 -0.213 0.000 0.686 559 A CB 0.959 19.811 19.000 -0.248 0.000 1.285 559 A HN 0.784 nan 8.150 nan 0.000 0.403 560 I N 2.012 122.419 120.570 -0.271 0.000 2.448 560 I HA 0.293 4.463 4.170 0.000 0.000 0.281 560 I C -0.295 175.676 176.117 -0.244 0.000 1.027 560 I CA -0.230 60.956 61.300 -0.191 0.000 1.111 560 I CB 1.815 39.731 38.000 -0.140 0.000 1.236 560 I HN 0.603 nan 8.210 nan 0.000 0.452 561 K N 6.050 126.331 120.400 -0.198 0.000 2.123 561 K HA 0.794 5.114 4.320 0.000 0.000 0.248 561 K C -1.199 175.336 176.600 -0.109 0.000 0.969 561 K CA -0.805 55.371 56.287 -0.186 0.000 0.882 561 K CB 2.125 34.529 32.500 -0.160 0.000 1.080 561 K HN 0.300 nan 8.250 nan 0.000 0.441 562 L N 1.422 122.589 121.223 -0.093 0.000 2.365 562 L HA 0.536 4.877 4.340 0.000 0.000 0.273 562 L C -0.542 176.299 176.870 -0.047 0.000 1.000 562 L CA -0.509 54.299 54.840 -0.055 0.000 0.819 562 L CB 1.863 43.891 42.059 -0.051 0.000 1.284 562 L HN 0.495 nan 8.230 nan 0.000 0.418 563 R N 3.303 123.790 120.500 -0.022 0.000 2.514 563 R HA 0.604 4.944 4.340 0.000 0.000 0.296 563 R C -1.541 174.760 176.300 0.001 0.000 1.012 563 R CA -0.474 55.593 56.100 -0.056 0.000 0.897 563 R CB 1.212 31.447 30.300 -0.109 0.000 1.184 563 R HN 0.644 nan 8.270 nan 0.000 0.440 564 I N 5.053 125.605 120.570 -0.029 0.000 2.291 564 I HA 0.157 4.327 4.170 0.000 0.000 0.290 564 I C 0.566 176.683 176.117 -0.000 0.000 1.050 564 I CA -0.580 60.735 61.300 0.026 0.000 1.245 564 I CB 1.189 39.190 38.000 0.003 0.000 1.405 564 I HN 0.742 nan 8.210 nan 0.000 0.478 565 H N 3.848 122.912 119.070 -0.010 0.000 2.489 565 H HA -0.135 4.421 4.556 0.000 0.000 0.293 565 H C 2.073 177.398 175.328 -0.005 0.000 1.066 565 H CA 1.286 57.330 56.048 -0.007 0.000 1.305 565 H CB 0.065 29.824 29.762 -0.006 0.000 1.386 565 H HN 0.496 nan 8.280 nan 0.000 0.551 566 K N 0.214 120.668 120.400 0.091 0.000 2.148 566 K HA -0.111 4.209 4.320 0.000 0.000 0.204 566 K C 1.844 178.455 176.600 0.018 0.000 1.050 566 K CA 0.855 57.171 56.287 0.048 0.000 0.942 566 K CB -0.040 32.482 32.500 0.037 0.000 0.724 566 K HN 0.206 nan 8.250 nan 0.000 0.446 567 L N -0.445 120.779 121.223 0.000 0.000 2.102 567 L HA 0.106 4.446 4.340 0.000 0.000 0.202 567 L C 0.240 177.091 176.870 -0.033 0.000 1.076 567 L CA 1.116 55.946 54.840 -0.017 0.000 0.761 567 L CB 0.366 42.410 42.059 -0.025 0.000 0.921 567 L HN 0.080 nan 8.230 nan 0.000 0.444 568 S N -1.874 113.786 115.700 -0.066 0.000 2.563 568 S HA 0.305 4.775 4.470 0.000 0.000 0.279 568 S C 0.053 174.537 174.600 -0.194 0.000 1.155 568 S CA -0.728 57.417 58.200 -0.091 0.000 0.928 568 S CB 1.088 64.239 63.200 -0.081 0.000 1.107 568 S HN 0.233 nan 8.310 nan 0.000 0.462 569 K N 1.568 121.877 120.400 -0.152 0.000 2.400 569 K HA 0.064 4.384 4.320 0.000 0.000 0.194 569 K C 1.434 177.924 176.600 -0.184 0.000 1.033 569 K CA 1.147 57.301 56.287 -0.223 0.000 1.021 569 K CB 0.139 32.653 32.500 0.024 0.000 0.808 569 K HN 0.782 nan 8.250 nan 0.000 0.505 570 T N -2.073 112.411 114.554 -0.117 0.000 2.990 570 T HA 0.258 4.608 4.350 0.000 0.000 0.250 570 T C 0.569 175.224 174.700 -0.074 0.000 1.041 570 T CA -0.272 61.784 62.100 -0.073 0.000 1.010 570 T CB 0.158 69.004 68.868 -0.036 0.000 1.003 570 T HN -0.115 nan 8.240 nan 0.000 0.499 571 L N 2.139 123.306 121.223 -0.093 0.000 2.346 571 L HA 0.549 4.889 4.340 0.000 0.000 0.276 571 L C -0.852 175.965 176.870 -0.088 0.000 1.006 571 L CA -1.182 53.615 54.840 -0.070 0.000 0.817 571 L CB 1.775 43.803 42.059 -0.051 0.000 1.272 571 L HN 0.049 nan 8.230 nan 0.000 0.421 572 D N 0.763 121.125 120.400 -0.064 0.000 2.350 572 D HA 0.063 4.703 4.640 0.000 0.000 0.249 572 D C 0.897 177.166 176.300 -0.052 0.000 1.119 572 D CA 0.111 54.072 54.000 -0.066 0.000 0.886 572 D CB 1.861 42.628 40.800 -0.055 0.000 1.195 572 D HN 0.622 nan 8.370 nan 0.000 0.437 573 S N 0.907 116.574 115.700 -0.056 0.000 2.501 573 S HA 0.258 4.728 4.470 0.000 0.000 0.220 573 S C 0.880 175.458 174.600 -0.036 0.000 0.997 573 S CA 0.098 58.272 58.200 -0.043 0.000 0.919 573 S CB 0.548 63.722 63.200 -0.043 0.000 0.778 573 S HN 0.609 nan 8.310 nan 0.000 0.523 574 G N -0.539 108.233 108.800 -0.046 0.000 2.576 574 G HA2 0.682 4.642 3.960 0.000 0.000 0.290 574 G HA3 0.682 4.642 3.960 0.000 0.000 0.290 574 G C -1.684 173.158 174.900 -0.095 0.000 1.442 574 G CA -0.277 44.795 45.100 -0.047 0.000 0.792 574 G HN 0.906 nan 8.290 nan 0.000 0.491 575 A N -0.874 121.874 122.820 -0.120 0.000 2.608 575 A HA 0.767 5.088 4.320 0.000 0.000 0.292 575 A C -2.165 175.274 177.584 -0.242 0.000 1.066 575 A CA -0.574 51.294 52.037 -0.282 0.000 0.676 575 A CB 1.847 20.491 19.000 -0.592 0.000 1.277 575 A HN 2.002 nan 8.150 nan 0.000 0.413 576 L N 1.335 122.369 121.223 -0.315 0.000 2.316 576 L HA 0.797 5.137 4.340 0.000 0.000 0.280 576 L C -1.762 174.936 176.870 -0.288 0.000 1.006 576 L CA -0.333 54.396 54.840 -0.186 0.000 0.836 576 L CB 0.458 42.443 42.059 -0.123 0.000 1.221 576 L HN 0.619 nan 8.230 nan 0.000 0.418 577 Y N 2.087 122.310 120.300 -0.128 0.000 2.587 577 Y HA 0.725 5.276 4.550 0.000 0.000 0.337 577 Y C 0.232 175.914 175.900 -0.364 0.000 1.065 577 Y CA -0.573 57.345 58.100 -0.303 0.000 1.126 577 Y CB 2.328 40.521 38.460 -0.446 0.000 1.279 577 Y HN 0.559 nan 8.280 nan 0.000 0.489 578 S N 0.666 116.180 115.700 -0.310 0.000 2.647 578 S HA 0.556 5.026 4.470 0.000 0.000 0.300 578 S C -1.815 172.486 174.600 -0.499 0.000 1.129 578 S CA -0.540 57.479 58.200 -0.300 0.000 1.029 578 S CB -0.023 63.083 63.200 -0.158 0.000 1.007 578 S HN 0.704 nan 8.310 nan 0.000 0.484 579 H N 2.681 121.509 119.070 -0.404 0.000 2.572 579 H HA 0.502 5.058 4.556 0.000 0.000 0.359 579 H C -0.090 175.109 175.328 -0.216 0.000 1.134 579 H CA -0.728 55.082 56.048 -0.397 0.000 1.187 579 H CB 1.200 30.526 29.762 -0.726 0.000 1.597 579 H HN 0.527 nan 8.280 nan 0.000 0.524 580 I N 2.148 122.747 120.570 0.047 0.000 2.710 580 I HA -0.065 4.105 4.170 0.000 0.000 0.286 580 I C 0.028 176.218 176.117 0.121 0.000 1.181 580 I CA 0.669 62.006 61.300 0.062 0.000 1.430 580 I CB 0.207 38.234 38.000 0.046 0.000 1.367 580 I HN 0.612 nan 8.210 nan 0.000 0.577 581 N N 4.305 123.069 118.700 0.107 0.000 2.437 581 N HA 0.446 5.187 4.740 0.000 0.000 0.259 581 N C 0.554 176.083 175.510 0.033 0.000 0.983 581 N CA 0.423 53.525 53.050 0.086 0.000 0.937 581 N CB 1.566 40.092 38.487 0.065 0.000 1.122 581 N HN 0.919 nan 8.380 nan 0.000 0.499 582 G N 1.746 110.555 108.800 0.016 0.000 2.866 582 G HA2 -0.161 3.799 3.960 0.000 0.000 0.274 582 G HA3 -0.161 3.799 3.960 0.000 0.000 0.274 582 G C 0.153 175.062 174.900 0.015 0.000 1.413 582 G CA -0.184 44.919 45.100 0.006 0.000 0.997 582 G HN 0.906 nan 8.290 nan 0.000 0.559 583 G N -1.005 107.804 108.800 0.014 0.000 2.749 583 G HA2 0.794 4.754 3.960 0.000 0.000 0.300 583 G HA3 0.794 4.754 3.960 0.000 0.000 0.300 583 G C 0.019 174.926 174.900 0.012 0.000 1.352 583 G CA 0.833 45.941 45.100 0.014 0.000 0.789 583 G HN 2.101 nan 8.290 nan 0.000 0.509 584 A N -1.219 121.606 122.820 0.009 0.000 2.531 584 A HA 0.501 4.821 4.320 0.000 0.000 0.236 584 A C 1.694 179.279 177.584 0.003 0.000 1.062 584 A CA 1.656 53.696 52.037 0.004 0.000 0.760 584 A CB -0.481 18.521 19.000 0.003 0.000 0.995 584 A HN 2.748 nan 8.150 nan 0.000 0.501 585 G N 0.924 109.724 108.800 -0.000 0.000 2.175 585 G HA2 -0.290 3.670 3.960 0.000 0.000 0.265 585 G HA3 -0.290 3.670 3.960 0.000 0.000 0.265 585 G C 1.119 176.020 174.900 0.002 0.000 0.979 585 G CA 1.412 46.512 45.100 0.000 0.000 0.663 585 G HN 2.115 nan 8.290 nan 0.000 0.533 586 S N -0.522 115.181 115.700 0.004 0.000 2.522 586 S HA 0.348 4.818 4.470 0.000 0.000 0.227 586 S C 2.314 176.917 174.600 0.006 0.000 0.986 586 S CA 1.291 59.495 58.200 0.005 0.000 0.929 586 S CB -0.117 63.088 63.200 0.008 0.000 0.769 586 S HN 2.318 nan 8.310 nan 0.000 0.529 587 G N 0.410 109.212 108.800 0.005 0.000 2.203 587 G HA2 -0.241 3.719 3.960 0.000 0.000 0.263 587 G HA3 -0.241 3.719 3.960 0.000 0.000 0.263 587 G C -0.008 174.898 174.900 0.011 0.000 1.012 587 G CA 0.486 45.590 45.100 0.005 0.000 0.749 587 G HN 1.095 nan 8.290 nan 0.000 0.512 588 S N -1.021 114.689 115.700 0.017 0.000 2.541 588 S HA 0.957 5.428 4.470 0.000 0.000 0.280 588 S C -0.192 174.436 174.600 0.047 0.000 1.112 588 S CA 0.743 58.961 58.200 0.030 0.000 0.925 588 S CB 1.820 65.035 63.200 0.026 0.000 1.067 588 S HN 1.976 nan 8.310 nan 0.000 0.479 589 A N 2.497 125.359 122.820 0.069 0.000 2.609 589 A HA 0.794 5.114 4.320 0.000 0.000 0.291 589 A C -1.855 175.831 177.584 0.171 0.000 1.096 589 A CA -0.752 51.339 52.037 0.089 0.000 0.684 589 A CB 1.003 20.012 19.000 0.016 0.000 1.282 589 A HN 1.445 nan 8.150 nan 0.000 0.412 590 Y N -0.857 119.495 120.300 0.087 0.000 2.485 590 Y HA 0.824 5.375 4.550 0.000 0.000 0.345 590 Y C -0.274 175.711 175.900 0.143 0.000 0.998 590 Y CA -0.790 57.376 58.100 0.110 0.000 1.059 590 Y CB 1.558 40.101 38.460 0.138 0.000 1.234 590 Y HN 0.459 nan 8.280 nan 0.000 0.461 591 T N 4.809 119.496 114.554 0.222 0.000 2.829 591 T HA 0.404 4.754 4.350 0.000 0.000 0.282 591 T C -0.949 173.892 174.700 0.235 0.000 0.990 591 T CA -0.755 61.419 62.100 0.123 0.000 1.028 591 T CB 1.030 69.947 68.868 0.081 0.000 0.951 591 T HN 0.790 nan 8.240 nan 0.000 0.460 592 Q N 2.505 122.435 119.800 0.216 0.000 2.331 592 Q HA 0.692 5.032 4.340 0.000 0.000 0.272 592 Q C -1.931 174.190 176.000 0.202 0.000 1.062 592 Q CA -1.090 54.873 55.803 0.266 0.000 0.806 592 Q CB 1.616 30.587 28.738 0.388 0.000 1.312 592 Q HN 0.437 nan 8.270 nan 0.000 0.431 593 L N 3.179 124.483 121.223 0.136 0.000 2.305 593 L HA 0.617 4.957 4.340 0.000 0.000 0.284 593 L C -0.707 176.210 176.870 0.079 0.000 1.013 593 L CA 0.218 55.104 54.840 0.076 0.000 0.819 593 L CB 1.873 43.955 42.059 0.039 0.000 1.227 593 L HN 0.959 nan 8.230 nan 0.000 0.417 594 T N 2.049 116.648 114.554 0.076 0.000 2.926 594 T HA 0.987 5.337 4.350 0.000 0.000 0.289 594 T C -0.588 174.124 174.700 0.020 0.000 1.054 594 T CA -0.356 61.785 62.100 0.069 0.000 1.015 594 T CB 1.905 70.862 68.868 0.148 0.000 1.167 594 T HN 0.918 nan 8.240 nan 0.000 0.526 595 A N 1.124 123.949 122.820 0.008 0.000 2.520 595 A HA 0.707 5.027 4.320 0.000 0.000 0.298 595 A C -0.800 176.774 177.584 -0.016 0.000 1.051 595 A CA -0.955 51.074 52.037 -0.014 0.000 0.690 595 A CB 1.176 20.158 19.000 -0.029 0.000 1.281 595 A HN 1.132 nan 8.150 nan 0.000 0.402 596 I N 1.370 121.927 120.570 -0.021 0.000 2.519 596 I HA 0.547 4.717 4.170 0.000 0.000 0.287 596 I C 0.143 176.240 176.117 -0.033 0.000 1.047 596 I CA 0.350 61.636 61.300 -0.023 0.000 1.381 596 I CB 1.161 39.146 38.000 -0.025 0.000 1.417 596 I HN 0.611 nan 8.210 nan 0.000 0.540 597 S N 4.333 120.012 115.700 -0.034 0.000 2.546 597 S HA 0.564 5.034 4.470 0.000 0.000 0.272 597 S C 0.050 174.630 174.600 -0.033 0.000 1.140 597 S CA 0.130 58.306 58.200 -0.040 0.000 0.920 597 S CB 1.295 64.463 63.200 -0.052 0.000 1.083 597 S HN 1.288 nan 8.310 nan 0.000 0.476 598 G N 2.690 111.473 108.800 -0.029 0.000 2.305 598 G HA2 -0.237 3.723 3.960 0.000 0.000 0.287 598 G HA3 -0.237 3.723 3.960 0.000 0.000 0.287 598 G C 0.531 175.419 174.900 -0.020 0.000 1.036 598 G CA 0.721 45.807 45.100 -0.022 0.000 0.887 598 G HN 1.801 nan 8.290 nan 0.000 0.505 599 S N -2.492 113.195 115.700 -0.021 0.000 3.380 599 S HA -0.222 4.248 4.470 0.000 0.000 0.300 599 S C 0.815 175.403 174.600 -0.019 0.000 1.255 599 S CA 1.573 59.761 58.200 -0.020 0.000 0.963 599 S CB -1.343 61.847 63.200 -0.017 0.000 1.106 599 S HN 1.533 nan 8.310 nan 0.000 0.629 600 T N 3.504 118.046 114.554 -0.020 0.000 2.821 600 T HA 0.416 4.767 4.350 0.000 0.000 0.307 600 T C -2.264 172.428 174.700 -0.013 0.000 1.034 600 T CA -1.210 60.880 62.100 -0.018 0.000 0.953 600 T CB 1.509 70.364 68.868 -0.021 0.000 0.968 600 T HN 0.048 nan 8.240 nan 0.000 0.462 601 P HA 0.097 nan 4.420 nan 0.000 0.266 601 P C -0.114 177.200 177.300 0.024 0.000 1.195 601 P CA 0.199 63.304 63.100 0.008 0.000 0.768 601 P CB 0.452 32.160 31.700 0.015 0.000 0.838 602 D N 0.250 120.677 120.400 0.044 0.000 2.945 602 D HA -0.214 4.426 4.640 0.000 0.000 0.225 602 D C 1.264 177.572 176.300 0.014 0.000 1.158 602 D CA 1.367 55.406 54.000 0.066 0.000 0.805 602 D CB -1.686 39.182 40.800 0.113 0.000 1.098 602 D HN 0.523 nan 8.370 nan 0.000 0.426 603 A N -0.589 122.225 122.820 -0.009 0.000 1.933 603 A HA 0.087 4.407 4.320 0.000 0.000 0.218 603 A C 1.199 178.753 177.584 -0.049 0.000 1.175 603 A CA 1.304 53.321 52.037 -0.034 0.000 0.628 603 A CB 0.445 19.422 19.000 -0.038 0.000 0.814 603 A HN 0.216 nan 8.150 nan 0.000 0.444 604 V N 0.156 120.045 119.914 -0.042 0.000 2.604 604 V HA 0.631 4.751 4.120 0.000 0.000 0.305 604 V C -0.322 175.754 176.094 -0.030 0.000 1.043 604 V CA 0.035 62.300 62.300 -0.057 0.000 0.888 604 V CB 1.481 33.264 31.823 -0.067 0.000 0.995 604 V HN 0.618 nan 8.190 nan 0.000 0.429 605 S N 3.923 119.600 115.700 -0.038 0.000 2.547 605 S HA 0.748 5.218 4.470 0.000 0.000 0.270 605 S C -1.411 173.185 174.600 -0.007 0.000 1.150 605 S CA -0.753 57.447 58.200 -0.000 0.000 0.850 605 S CB 1.752 64.977 63.200 0.040 0.000 1.118 605 S HN 0.816 nan 8.310 nan 0.000 0.461 606 L N 1.366 122.603 121.223 0.024 0.000 2.307 606 L HA 0.824 5.165 4.340 0.000 0.000 0.284 606 L C -1.319 175.594 176.870 0.072 0.000 1.023 606 L CA -0.401 54.456 54.840 0.027 0.000 0.810 606 L CB 1.242 43.316 42.059 0.024 0.000 1.231 606 L HN 0.810 nan 8.230 nan 0.000 0.423 607 K N 3.582 124.023 120.400 0.068 0.000 2.328 607 K HA 0.722 5.042 4.320 0.000 0.000 0.246 607 K C -1.483 175.193 176.600 0.125 0.000 0.955 607 K CA -0.556 55.815 56.287 0.140 0.000 0.817 607 K CB 2.445 34.998 32.500 0.088 0.000 1.208 607 K HN 0.291 nan 8.250 nan 0.000 0.432 608 V N 2.637 122.661 119.914 0.183 0.000 2.443 608 V HA 0.388 4.508 4.120 0.000 0.000 0.293 608 V C 0.275 176.479 176.094 0.183 0.000 1.021 608 V CA -0.851 61.534 62.300 0.142 0.000 0.848 608 V CB 1.050 32.941 31.823 0.113 0.000 0.998 608 V HN 0.960 nan 8.190 nan 0.000 0.424 609 N N 2.598 121.377 118.700 0.131 0.000 2.869 609 N HA -0.192 4.548 4.740 0.000 0.000 0.249 609 N C 0.325 175.901 175.510 0.109 0.000 1.104 609 N CA 0.219 53.339 53.050 0.117 0.000 0.760 609 N CB -0.553 38.008 38.487 0.123 0.000 1.108 609 N HN 0.986 nan 8.380 nan 0.000 0.555 610 H N 1.932 120.952 119.070 -0.083 0.000 2.928 610 H HA -0.002 4.554 4.556 0.000 0.000 0.338 610 H C 0.525 175.741 175.328 -0.186 0.000 1.047 610 H CA 1.429 57.255 56.048 -0.370 0.000 1.435 610 H CB 0.532 29.968 29.762 -0.543 0.000 1.428 610 H HN 0.193 nan 8.280 nan 0.000 0.590 611 K N 3.276 123.243 120.400 -0.721 0.000 3.016 611 K HA -0.276 4.044 4.320 0.000 0.000 0.262 611 K C 0.126 176.622 176.600 -0.172 0.000 1.043 611 K CA 1.128 57.154 56.287 -0.434 0.000 0.761 611 K CB -0.946 31.276 32.500 -0.464 0.000 1.230 611 K HN 0.905 nan 8.250 nan 0.000 0.485 612 D N -1.318 119.029 120.400 -0.089 0.000 2.911 612 D HA -0.232 4.408 4.640 0.000 0.000 0.227 612 D C 1.089 177.378 176.300 -0.018 0.000 1.164 612 D CA 1.366 55.352 54.000 -0.024 0.000 0.782 612 D CB -1.302 39.487 40.800 -0.018 0.000 1.094 612 D HN 0.599 nan 8.370 nan 0.000 0.425 613 C N -1.060 118.226 119.300 -0.023 0.000 2.456 613 C HA 0.206 4.667 4.460 0.000 0.000 0.279 613 C C 1.648 176.647 174.990 0.015 0.000 1.427 613 C CA 0.653 59.669 59.018 -0.004 0.000 1.778 613 C CB -0.753 26.989 27.740 0.004 0.000 1.842 613 C HN 0.540 nan 8.230 nan 0.000 0.531 614 R N 0.050 120.565 120.500 0.025 0.000 3.875 614 R HA -0.123 4.217 4.340 0.000 0.000 0.321 614 R C 0.491 176.813 176.300 0.037 0.000 1.196 614 R CA 0.618 56.737 56.100 0.033 0.000 0.868 614 R CB -2.314 28.001 30.300 0.025 0.000 1.333 614 R HN 0.827 nan 8.270 nan 0.000 0.522 615 G N -0.760 108.065 108.800 0.042 0.000 2.630 615 G HA2 0.783 4.743 3.960 0.000 0.000 0.296 615 G HA3 0.783 4.743 3.960 0.000 0.000 0.296 615 G C -1.188 173.744 174.900 0.052 0.000 1.285 615 G CA -0.105 45.021 45.100 0.044 0.000 0.958 615 G HN 0.256 nan 8.290 nan 0.000 0.479 616 A N 0.050 122.901 122.820 0.052 0.000 2.276 616 A HA 0.666 4.986 4.320 0.000 0.000 0.316 616 A C -0.043 177.568 177.584 0.046 0.000 1.229 616 A CA -0.506 51.563 52.037 0.054 0.000 0.851 616 A CB 0.856 19.889 19.000 0.055 0.000 1.165 616 A HN 0.632 nan 8.150 nan 0.000 0.513 617 E N 3.070 123.288 120.200 0.030 0.000 2.130 617 E HA 0.485 4.835 4.350 0.000 0.000 0.284 617 E C -1.157 175.451 176.600 0.013 0.000 1.018 617 E CA -0.262 56.142 56.400 0.007 0.000 0.817 617 E CB 0.459 30.127 29.700 -0.053 0.000 1.078 617 E HN 0.602 nan 8.360 nan 0.000 0.396 618 I N 6.962 127.556 120.570 0.040 0.000 2.378 618 I HA 0.335 4.505 4.170 0.000 0.000 0.291 618 I C -1.895 174.252 176.117 0.050 0.000 0.992 618 I CA -2.228 59.103 61.300 0.051 0.000 1.154 618 I CB 1.565 39.618 38.000 0.089 0.000 1.315 618 I HN 0.476 nan 8.210 nan 0.000 0.448 619 P HA 0.301 nan 4.420 nan 0.000 0.280 619 P C -1.171 176.129 177.300 0.001 0.000 1.244 619 P CA -0.143 62.890 63.100 -0.112 0.000 0.784 619 P CB 0.711 32.336 31.700 -0.126 0.000 0.913 620 F N 0.401 120.370 119.950 0.031 0.000 2.579 620 F HA 0.549 5.076 4.527 0.000 0.000 0.324 620 F C -0.395 175.471 175.800 0.111 0.000 1.058 620 F CA -1.861 56.195 58.000 0.094 0.000 0.944 620 F CB 0.352 39.438 39.000 0.143 0.000 1.245 620 F HN -0.015 nan 8.300 nan 0.000 0.477 621 V N 2.939 123.109 119.914 0.426 0.000 2.540 621 V HA 0.057 4.177 4.120 0.000 0.000 0.297 621 V C -1.493 174.899 176.094 0.497 0.000 1.024 621 V CA -0.728 61.776 62.300 0.340 0.000 1.105 621 V CB 0.599 32.656 31.823 0.389 0.000 0.938 621 V HN 0.720 nan 8.190 nan 0.000 0.482 622 P HA 0.011 nan 4.420 nan 0.000 0.234 622 P C 0.068 177.640 177.300 0.453 0.000 1.167 622 P CA 0.982 64.279 63.100 0.327 0.000 0.763 622 P CB 0.328 32.096 31.700 0.114 0.000 0.835 623 D N -2.032 118.618 120.400 0.416 0.000 2.798 623 D HA 0.209 4.849 4.640 0.000 0.000 0.308 623 D C -0.557 175.941 176.300 0.329 0.000 1.187 623 D CA -0.832 53.382 54.000 0.356 0.000 1.033 623 D CB 1.017 41.957 40.800 0.234 0.000 1.445 623 D HN -0.383 nan 8.370 nan 0.000 0.550 624 I N 1.569 122.246 120.570 0.179 0.000 2.662 624 I HA 0.192 4.363 4.170 0.000 0.000 0.285 624 I C 0.740 176.707 176.117 -0.251 0.000 1.161 624 I CA -0.171 61.095 61.300 -0.057 0.000 1.415 624 I CB -0.728 37.236 38.000 -0.060 0.000 1.385 624 I HN 0.339 nan 8.210 nan 0.000 0.552 625 A N 5.713 128.130 122.820 -0.670 0.000 2.409 625 A HA 0.304 4.624 4.320 0.000 0.000 0.262 625 A C 0.638 177.863 177.584 -0.599 0.000 1.113 625 A CA -0.193 51.619 52.037 -0.376 0.000 0.790 625 A CB 0.338 19.215 19.000 -0.204 0.000 1.046 625 A HN 0.760 nan 8.150 nan 0.000 0.496 626 S N 1.001 116.089 115.700 -1.021 0.000 2.592 626 S HA 0.141 4.611 4.470 0.000 0.000 0.271 626 S C 0.767 175.035 174.600 -0.553 0.000 1.326 626 S CA -0.392 57.305 58.200 -0.838 0.000 1.024 626 S CB 0.391 62.946 63.200 -1.074 0.000 0.921 626 S HN 0.649 nan 8.310 nan 0.000 0.527 627 D N 1.545 121.760 120.400 -0.309 0.000 2.190 627 D HA -0.126 4.514 4.640 0.000 0.000 0.200 627 D C 1.332 177.578 176.300 -0.091 0.000 0.992 627 D CA 1.531 55.439 54.000 -0.153 0.000 0.854 627 D CB -0.220 40.520 40.800 -0.100 0.000 0.936 627 D HN 0.811 nan 8.370 nan 0.000 0.462 628 D N -0.615 119.713 120.400 -0.119 0.000 2.349 628 D HA -0.121 4.520 4.640 0.000 0.000 0.224 628 D C 1.509 177.919 176.300 0.182 0.000 1.029 628 D CA 0.024 54.032 54.000 0.013 0.000 0.879 628 D CB -0.531 40.278 40.800 0.014 0.000 0.906 628 D HN 0.114 nan 8.370 nan 0.000 0.528 629 F N 1.158 121.102 119.950 -0.010 0.000 2.259 629 F HA 0.242 4.769 4.527 0.000 0.000 0.298 629 F C 1.385 177.190 175.800 0.009 0.000 1.088 629 F CA -0.598 57.401 58.000 -0.002 0.000 1.358 629 F CB -0.518 38.479 39.000 -0.005 0.000 1.040 629 F HN 0.009 nan 8.300 nan 0.000 0.505 630 I N 0.532 121.227 120.570 0.209 0.000 2.474 630 I HA 0.017 4.187 4.170 0.000 0.000 0.287 630 I C 1.238 177.409 176.117 0.089 0.000 1.048 630 I CA 0.050 61.427 61.300 0.129 0.000 1.383 630 I CB 1.066 39.136 38.000 0.117 0.000 1.412 630 I HN 0.001 nan 8.210 nan 0.000 0.531 631 K N 4.652 125.090 120.400 0.063 0.000 2.161 631 K HA 0.105 4.425 4.320 0.000 0.000 0.205 631 K C -0.121 176.502 176.600 0.038 0.000 1.035 631 K CA 0.306 56.620 56.287 0.045 0.000 0.970 631 K CB 0.275 32.793 32.500 0.030 0.000 0.866 631 K HN 0.615 nan 8.250 nan 0.000 0.461 632 D N 0.651 121.072 120.400 0.034 0.000 2.272 632 D HA 0.179 4.819 4.640 0.000 0.000 0.247 632 D C -0.677 175.648 176.300 0.041 0.000 0.990 632 D CA -0.277 53.742 54.000 0.032 0.000 0.931 632 D CB 2.015 42.828 40.800 0.023 0.000 1.195 632 D HN 0.031 nan 8.370 nan 0.000 0.477 633 S N -0.123 115.600 115.700 0.039 0.000 2.579 633 S HA 0.098 4.568 4.470 0.000 0.000 0.275 633 S C 0.755 175.386 174.600 0.052 0.000 1.345 633 S CA -0.192 58.035 58.200 0.045 0.000 1.031 633 S CB 0.879 64.101 63.200 0.036 0.000 0.892 633 S HN 0.533 nan 8.310 nan 0.000 0.529 634 S N -0.180 115.559 115.700 0.065 0.000 3.698 634 S HA -0.167 4.303 4.470 0.000 0.000 0.338 634 S C -0.260 174.400 174.600 0.099 0.000 1.089 634 S CA 0.407 58.654 58.200 0.078 0.000 0.991 634 S CB -1.609 61.626 63.200 0.059 0.000 0.909 634 S HN 0.773 nan 8.310 nan 0.000 0.485 635 C N 1.124 120.492 119.300 0.114 0.000 2.898 635 C HA 0.904 5.364 4.460 0.000 0.000 0.304 635 C C -0.385 174.724 174.990 0.199 0.000 1.237 635 C CA -0.917 58.165 59.018 0.106 0.000 1.529 635 C CB 1.445 29.205 27.740 0.033 0.000 2.021 635 C HN 0.677 nan 8.230 nan 0.000 0.474 636 F N 1.109 121.098 119.950 0.065 0.000 2.588 636 F HA 0.884 5.412 4.527 0.000 0.000 0.314 636 F C -1.293 174.570 175.800 0.104 0.000 1.069 636 F CA -1.296 56.753 58.000 0.082 0.000 0.931 636 F CB 1.092 40.133 39.000 0.068 0.000 1.260 636 F HN 0.387 nan 8.300 nan 0.000 0.465 637 L N 5.437 126.827 121.223 0.278 0.000 2.377 637 L HA 0.639 4.979 4.340 0.000 0.000 0.270 637 L C -2.711 174.391 176.870 0.387 0.000 0.991 637 L CA -2.442 52.526 54.840 0.213 0.000 0.851 637 L CB 1.645 43.830 42.059 0.209 0.000 1.218 637 L HN 0.445 nan 8.230 nan 0.000 0.420 638 P HA 0.211 nan 4.420 nan 0.000 0.271 638 P C -1.775 175.789 177.300 0.440 0.000 1.216 638 P CA 0.224 63.537 63.100 0.355 0.000 0.776 638 P CB 0.514 32.412 31.700 0.330 0.000 0.881 639 Y N 0.031 120.470 120.300 0.231 0.000 2.562 639 Y HA 0.535 5.085 4.550 0.000 0.000 0.345 639 Y C -1.332 174.700 175.900 0.219 0.000 1.045 639 Y CA -1.611 56.662 58.100 0.289 0.000 1.028 639 Y CB 1.107 39.718 38.460 0.252 0.000 1.297 639 Y HN 0.427 nan 8.280 nan 0.000 0.463 640 W N 4.114 125.562 121.300 0.247 0.000 2.316 640 W HA 0.407 5.067 4.660 0.000 0.000 0.311 640 W C -1.064 175.536 176.519 0.135 0.000 1.217 640 W CA -0.355 57.019 57.345 0.049 0.000 1.199 640 W CB 1.600 31.196 29.460 0.227 0.000 1.202 640 W HN 0.899 nan 8.180 nan 0.000 0.528 641 E N 4.551 124.317 120.200 -0.723 0.000 2.256 641 E HA 0.014 4.364 4.350 0.000 0.000 0.243 641 E C 0.530 176.547 176.600 -0.972 0.000 0.925 641 E CA -0.176 55.890 56.400 -0.556 0.000 0.748 641 E CB 0.507 29.968 29.700 -0.399 0.000 1.206 641 E HN 0.593 nan 8.360 nan 0.000 0.428 642 N N 3.188 121.466 118.700 -0.703 0.000 2.166 642 N HA -0.206 4.534 4.740 0.000 0.000 0.186 642 N C 1.496 176.884 175.510 -0.203 0.000 1.019 642 N CA 1.700 54.524 53.050 -0.377 0.000 0.856 642 N CB 0.076 38.641 38.487 0.129 0.000 0.993 642 N HN 0.532 nan 8.380 nan 0.000 0.426 643 N N -0.505 118.096 118.700 -0.165 0.000 2.609 643 N HA -0.076 4.664 4.740 0.000 0.000 0.190 643 N C 0.315 175.749 175.510 -0.127 0.000 1.157 643 N CA 1.291 54.281 53.050 -0.100 0.000 0.918 643 N CB -0.256 38.191 38.487 -0.068 0.000 0.978 643 N HN 0.309 nan 8.380 nan 0.000 0.448 644 S N -3.534 112.036 115.700 -0.217 0.000 2.817 644 S HA 0.121 4.591 4.470 0.000 0.000 0.262 644 S C -0.010 174.450 174.600 -0.234 0.000 1.051 644 S CA -0.007 58.078 58.200 -0.191 0.000 1.185 644 S CB -0.512 62.575 63.200 -0.187 0.000 1.152 644 S HN 0.102 nan 8.310 nan 0.000 0.653 645 T N 1.375 115.723 114.554 -0.344 0.000 3.886 645 T HA -0.135 4.216 4.350 0.000 0.000 0.371 645 T C -0.116 174.337 174.700 -0.411 0.000 0.760 645 T CA 1.032 62.947 62.100 -0.308 0.000 1.966 645 T CB -2.295 66.578 68.868 0.009 0.000 1.793 645 T HN 0.621 nan 8.240 nan 0.000 0.798 646 S N 0.134 115.382 115.700 -0.754 0.000 2.599 646 S HA 0.765 5.235 4.470 0.000 0.000 0.287 646 S C -0.196 174.051 174.600 -0.588 0.000 1.105 646 S CA -1.030 56.875 58.200 -0.492 0.000 0.899 646 S CB 1.899 64.892 63.200 -0.346 0.000 1.100 646 S HN 0.412 nan 8.310 nan 0.000 0.482 647 L N 2.554 123.599 121.223 -0.297 0.000 2.295 647 L HA 0.548 4.888 4.340 0.000 0.000 0.285 647 L C -0.245 176.418 176.870 -0.345 0.000 1.035 647 L CA -0.639 54.039 54.840 -0.269 0.000 0.806 647 L CB 1.000 42.959 42.059 -0.167 0.000 1.214 647 L HN 0.444 nan 8.230 nan 0.000 0.426 648 K N 2.495 122.565 120.400 -0.550 0.000 2.313 648 K HA 0.843 5.163 4.320 0.000 0.000 0.235 648 K C -0.961 175.343 176.600 -0.493 0.000 1.035 648 K CA -0.819 55.085 56.287 -0.638 0.000 0.868 648 K CB 2.144 33.977 32.500 -1.112 0.000 1.232 648 K HN 0.535 nan 8.250 nan 0.000 0.459 649 A N 1.314 124.001 122.820 -0.221 0.000 2.385 649 A HA 0.415 4.735 4.320 0.000 0.000 0.290 649 A C -1.324 176.424 177.584 0.273 0.000 1.094 649 A CA -0.685 51.414 52.037 0.104 0.000 0.729 649 A CB 0.734 19.766 19.000 0.053 0.000 1.194 649 A HN 0.488 nan 8.150 nan 0.000 0.442 650 L N 3.870 125.371 121.223 0.463 0.000 2.313 650 L HA 0.593 4.934 4.340 0.000 0.000 0.282 650 L C -0.755 176.275 176.870 0.266 0.000 1.092 650 L CA 0.266 55.314 54.840 0.346 0.000 0.831 650 L CB 0.858 43.078 42.059 0.267 0.000 1.159 650 L HN 0.397 nan 8.230 nan 0.000 0.442 651 V N 5.716 125.745 119.914 0.191 0.000 2.495 651 V HA 0.419 4.539 4.120 0.000 0.000 0.298 651 V C -0.129 176.039 176.094 0.122 0.000 1.031 651 V CA -0.848 61.556 62.300 0.174 0.000 0.871 651 V CB 1.650 33.545 31.823 0.120 0.000 0.988 651 V HN 0.732 nan 8.190 nan 0.000 0.432 652 K N 4.813 125.285 120.400 0.120 0.000 2.334 652 K HA 0.421 4.741 4.320 0.000 0.000 0.265 652 K C 0.023 176.669 176.600 0.077 0.000 1.039 652 K CA -0.567 55.771 56.287 0.084 0.000 0.920 652 K CB 0.593 33.138 32.500 0.076 0.000 1.160 652 K HN 0.596 nan 8.250 nan 0.000 0.451 653 K N 3.515 123.951 120.400 0.060 0.000 2.286 653 K HA -0.003 4.318 4.320 0.000 0.000 0.256 653 K C -1.867 174.760 176.600 0.045 0.000 0.999 653 K CA -1.411 54.906 56.287 0.050 0.000 0.908 653 K CB 0.249 32.770 32.500 0.036 0.000 0.981 653 K HN 0.321 nan 8.250 nan 0.000 0.500 654 P HA -0.221 nan 4.420 nan 0.000 0.217 654 P C 0.415 177.732 177.300 0.028 0.000 1.148 654 P CA 1.547 64.668 63.100 0.035 0.000 0.828 654 P CB -0.096 31.622 31.700 0.030 0.000 0.783 655 N N -2.223 116.492 118.700 0.025 0.000 2.461 655 N HA 0.050 4.791 4.740 0.000 0.000 0.188 655 N C 1.231 176.754 175.510 0.021 0.000 1.134 655 N CA 0.628 53.690 53.050 0.021 0.000 0.878 655 N CB -0.306 38.191 38.487 0.017 0.000 0.972 655 N HN 0.087 nan 8.380 nan 0.000 0.456 656 G N 0.296 109.111 108.800 0.026 0.000 2.213 656 G HA2 -0.284 3.676 3.960 0.000 0.000 0.236 656 G HA3 -0.284 3.676 3.960 0.000 0.000 0.236 656 G C -0.294 174.622 174.900 0.026 0.000 0.991 656 G CA -0.100 45.016 45.100 0.026 0.000 0.629 656 G HN 0.501 nan 8.290 nan 0.000 0.517 657 E N 0.422 120.637 120.200 0.025 0.000 2.366 657 E HA 0.535 4.885 4.350 0.000 0.000 0.266 657 E C 0.408 177.026 176.600 0.030 0.000 1.051 657 E CA -0.295 56.118 56.400 0.023 0.000 0.884 657 E CB 1.060 30.771 29.700 0.018 0.000 1.006 657 E HN 0.359 nan 8.360 nan 0.000 0.417 658 L N 2.337 123.576 121.223 0.027 0.000 2.357 658 L HA 0.566 4.906 4.340 0.000 0.000 0.273 658 L C -0.285 176.606 176.870 0.035 0.000 1.080 658 L CA -0.737 54.124 54.840 0.036 0.000 0.803 658 L CB 1.354 43.429 42.059 0.027 0.000 1.174 658 L HN 0.261 nan 8.230 nan 0.000 0.443 659 V N 3.395 123.338 119.914 0.049 0.000 2.932 659 V HA 0.486 4.606 4.120 0.000 0.000 0.307 659 V C -1.096 175.040 176.094 0.070 0.000 1.147 659 V CA -0.575 61.752 62.300 0.044 0.000 0.951 659 V CB 2.751 34.592 31.823 0.031 0.000 1.031 659 V HN 0.751 nan 8.190 nan 0.000 0.426 660 R N 5.744 126.286 120.500 0.071 0.000 2.343 660 R HA 0.749 5.089 4.340 0.000 0.000 0.320 660 R C -1.157 175.171 176.300 0.047 0.000 0.956 660 R CA -0.471 55.697 56.100 0.112 0.000 0.836 660 R CB 1.602 31.998 30.300 0.160 0.000 1.151 660 R HN 0.589 nan 8.270 nan 0.000 0.450 661 L N 0.961 122.194 121.223 0.016 0.000 2.303 661 L HA 0.544 4.884 4.340 0.000 0.000 0.266 661 L C 0.078 176.888 176.870 -0.100 0.000 1.011 661 L CA -1.086 53.727 54.840 -0.044 0.000 0.818 661 L CB 2.280 44.301 42.059 -0.062 0.000 1.326 661 L HN 0.483 nan 8.230 nan 0.000 0.435 662 T N 1.554 116.042 114.554 -0.110 0.000 2.780 662 T HA 0.240 4.591 4.350 0.000 0.000 0.294 662 T C 0.503 175.117 174.700 -0.143 0.000 0.949 662 T CA -0.211 61.803 62.100 -0.142 0.000 1.074 662 T CB 1.611 70.409 68.868 -0.117 0.000 0.910 662 T HN 0.366 nan 8.240 nan 0.000 0.501 663 L N 3.451 124.576 121.223 -0.163 0.000 2.349 663 L HA 0.662 5.002 4.340 0.000 0.000 0.200 663 L C 0.636 177.442 176.870 -0.108 0.000 1.064 663 L CA 0.873 55.627 54.840 -0.143 0.000 0.821 663 L CB -0.050 41.930 42.059 -0.132 0.000 1.027 663 L HN 0.711 nan 8.230 nan 0.000 0.476 664 A N -1.392 121.363 122.820 -0.108 0.000 2.520 664 A HA 0.718 5.038 4.320 0.000 0.000 0.298 664 A C -0.665 176.871 177.584 -0.079 0.000 1.051 664 A CA 0.179 52.173 52.037 -0.072 0.000 0.690 664 A CB 0.983 19.960 19.000 -0.039 0.000 1.281 664 A HN 0.242 nan 8.150 nan 0.000 0.402 665 T N -0.453 114.066 114.554 -0.057 0.000 2.841 665 T HA 0.718 5.068 4.350 0.000 0.000 0.296 665 T C -0.007 174.677 174.700 -0.028 0.000 1.166 665 T CA -0.757 61.307 62.100 -0.059 0.000 1.007 665 T CB 0.567 69.391 68.868 -0.072 0.000 1.253 665 T HN 0.546 nan 8.240 nan 0.000 0.511 666 L N 0.000 121.209 121.223 -0.024 0.000 2.949 666 L HA 0.000 4.340 4.340 0.000 0.000 0.249 666 L CA 0.000 54.836 54.840 -0.006 0.000 0.813 666 L CB 0.000 42.057 42.059 -0.003 0.000 0.961 666 L HN 0.000 nan 8.230 nan 0.000 0.502