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 1ial_1_A DATA FIRST_RESID 44 DATA SEQUENCE DEQMLKRRNV SXXXXXXXXX XXXXXXNQGT VNWSVEDIVK GINSNNLESQ DATA SEQUENCE LQATQAARKL LSREKQPPID NIIRAGLIPK FVSFLGKTDC SPIQFESAWA DATA SEQUENCE LTNIASGTSE QTKAVVDGGA IPAFISLLAS PHAHISEQAV WALGNIAGDG DATA SEQUENCE SAFRDLVIKH GAIDPLLALL AVPDLSTLAC GYLRNLTWTL SNLCRNKNPA DATA SEQUENCE PPLDAVEQIL PTLVRLLHHN DPEVLADSCW AISYLTDGPN ERIEMVVKKG DATA SEQUENCE VVPQLVKLLG ATELPIVTPA LRAIGNIVTG TDEQTQKVID AGALAVFPSL DATA SEQUENCE LTNPKTNIQK EATWTMSNIT AGRQDQIQQV VNHGLVPFLV GVLSKADFKT DATA SEQUENCE QKEAAWAITN YTSGGTVEQI VYLVHCGIIE PLMNLLSAKD TKIIQVILDA DATA SEQUENCE ISNIFQAAEK LGETEKLSIM IEECGGLDKI EALQRHENES VYKASLNLIE DATA SEQUENCE KYF 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 44 D HA 0.000 nan 4.640 nan 0.000 0.175 44 D C 0.000 176.246 176.300 -0.090 0.000 2.045 44 D CA 0.000 54.018 54.000 0.030 0.000 0.868 44 D CB 0.000 40.954 40.800 0.256 0.000 0.688 45 E N 1.200 121.313 120.200 -0.144 0.000 2.538 45 E HA 0.121 4.472 4.350 0.000 0.000 0.207 45 E C 0.334 176.754 176.600 -0.300 0.000 1.002 45 E CA -0.287 56.040 56.400 -0.121 0.000 0.952 45 E CB 0.499 30.254 29.700 0.092 0.000 1.031 45 E HN 0.221 nan 8.360 nan 0.000 0.476 46 Q N 1.642 120.973 119.800 -0.783 0.000 2.313 46 Q HA 0.113 4.454 4.340 0.000 0.000 0.266 46 Q C -0.132 175.743 176.000 -0.207 0.000 0.989 46 Q CA -0.388 55.032 55.803 -0.639 0.000 0.890 46 Q CB 0.785 28.938 28.738 -0.974 0.000 1.200 46 Q HN 0.119 nan 8.270 nan 0.000 0.396 47 M N 4.851 124.438 119.600 -0.022 0.000 2.303 47 M HA -0.075 4.406 4.480 0.000 0.000 0.350 47 M C 0.681 177.116 176.300 0.225 0.000 1.518 47 M CA 0.301 55.642 55.300 0.068 0.000 1.070 47 M CB 0.389 32.997 32.600 0.013 0.000 1.910 47 M HN 0.874 nan 8.290 nan 0.000 0.458 48 L N 4.353 125.652 121.223 0.127 0.000 1.961 48 L HA -0.091 4.249 4.340 0.000 0.000 0.210 48 L C 0.734 177.793 176.870 0.315 0.000 1.072 48 L CA 2.004 56.920 54.840 0.127 0.000 0.749 48 L CB -0.018 42.067 42.059 0.043 0.000 0.889 48 L HN 0.585 nan 8.230 nan 0.000 0.432 49 K N -0.942 119.628 120.400 0.284 0.000 2.328 49 K HA 0.598 4.919 4.320 0.000 0.000 0.246 49 K C -0.926 175.809 176.600 0.225 0.000 0.955 49 K CA -0.689 55.810 56.287 0.353 0.000 0.817 49 K CB 2.025 34.657 32.500 0.221 0.000 1.208 49 K HN -0.079 nan 8.250 nan 0.000 0.432 50 R N 1.289 121.910 120.500 0.202 0.000 2.575 50 R HA 0.332 4.672 4.340 0.000 0.000 0.293 50 R C -0.873 175.622 176.300 0.324 0.000 0.983 50 R CA -0.883 55.276 56.100 0.098 0.000 0.887 50 R CB 2.320 32.416 30.300 -0.340 0.000 1.184 50 R HN 0.440 nan 8.270 nan 0.000 0.445 51 R N 1.644 122.257 120.500 0.189 0.000 2.349 51 R HA 0.165 4.505 4.340 0.000 0.000 0.299 51 R C -0.590 175.755 176.300 0.076 0.000 1.027 51 R CA -0.348 55.804 56.100 0.088 0.000 0.958 51 R CB 0.893 31.228 30.300 0.059 0.000 1.047 51 R HN 0.633 nan 8.270 nan 0.000 0.468 52 N N 3.661 122.214 118.700 -0.245 0.000 2.469 52 N HA 0.083 4.823 4.740 0.000 0.000 0.239 52 N C 0.258 175.800 175.510 0.054 0.000 1.053 52 N CA -0.474 52.336 53.050 -0.401 0.000 0.937 52 N CB 0.887 38.578 38.487 -1.327 0.000 1.163 52 N HN 0.478 nan 8.380 nan 0.000 0.509 53 V N 0.970 120.952 119.914 0.113 0.000 3.319 53 V HA 0.189 4.309 4.120 0.000 0.000 0.317 53 V C 0.940 177.147 176.094 0.188 0.000 1.411 53 V CA -0.412 61.984 62.300 0.159 0.000 1.112 53 V CB -0.714 31.167 31.823 0.096 0.000 1.031 53 V HN 0.524 nan 8.190 nan 0.000 0.448 71 Q N -1.135 118.677 119.800 0.020 0.000 2.482 71 Q HA 0.173 4.514 4.340 0.000 0.000 0.209 71 Q C 1.776 177.824 176.000 0.080 0.000 0.961 71 Q CA 0.979 56.803 55.803 0.035 0.000 0.945 71 Q CB 0.326 29.083 28.738 0.032 0.000 1.012 71 Q HN 0.389 nan 8.270 nan 0.000 0.515 72 G N 0.928 109.788 108.800 0.100 0.000 2.511 72 G HA2 -0.161 3.799 3.960 0.000 0.000 0.217 72 G HA3 -0.161 3.799 3.960 0.000 0.000 0.217 72 G C 1.338 176.475 174.900 0.395 0.000 1.133 72 G CA 0.991 46.212 45.100 0.201 0.000 0.792 72 G HN 0.432 nan 8.290 nan 0.000 0.539 73 T N -1.232 113.396 114.554 0.123 0.000 3.206 73 T HA 0.459 4.809 4.350 0.000 0.000 0.253 73 T C 0.207 174.792 174.700 -0.192 0.000 1.042 73 T CA -0.417 61.541 62.100 -0.238 0.000 0.931 73 T CB 0.432 69.041 68.868 -0.431 0.000 1.029 73 T HN -0.108 nan 8.240 nan 0.000 0.564 74 V N 2.690 122.660 119.914 0.092 0.000 2.539 74 V HA 0.384 4.504 4.120 0.000 0.000 0.292 74 V C 0.766 176.981 176.094 0.201 0.000 1.045 74 V CA -0.824 61.523 62.300 0.078 0.000 0.945 74 V CB 0.888 32.742 31.823 0.052 0.000 0.993 74 V HN 0.629 nan 8.190 nan 0.000 0.464 75 N N 2.807 121.581 118.700 0.124 0.000 2.705 75 N HA -0.200 4.540 4.740 0.000 0.000 0.255 75 N C -0.814 174.841 175.510 0.243 0.000 1.008 75 N CA 0.404 53.536 53.050 0.137 0.000 0.742 75 N CB -0.510 38.028 38.487 0.084 0.000 0.906 75 N HN 0.605 nan 8.380 nan 0.000 0.541 76 W N 0.443 121.729 121.300 -0.023 0.000 2.215 76 W HA 0.344 5.005 4.660 0.000 0.000 0.342 76 W C 1.091 177.604 176.519 -0.011 0.000 1.237 76 W CA -0.451 56.885 57.345 -0.016 0.000 1.283 76 W CB 0.381 29.833 29.460 -0.014 0.000 1.131 76 W HN 0.244 nan 8.180 nan 0.000 0.606 77 S N 0.406 116.207 115.700 0.168 0.000 2.554 77 S HA 0.242 4.712 4.470 0.000 0.000 0.278 77 S C 0.542 175.223 174.600 0.134 0.000 1.242 77 S CA -0.777 57.479 58.200 0.094 0.000 1.051 77 S CB 1.413 64.621 63.200 0.013 0.000 0.986 77 S HN 0.309 nan 8.310 nan 0.000 0.502 78 V N 2.713 122.686 119.914 0.099 0.000 2.380 78 V HA -0.233 3.887 4.120 0.000 0.000 0.251 78 V C 2.792 178.938 176.094 0.087 0.000 1.063 78 V CA 2.525 64.882 62.300 0.096 0.000 1.055 78 V CB -1.286 30.571 31.823 0.056 0.000 0.657 78 V HN 1.081 nan 8.190 nan 0.000 0.455 79 E N -0.215 120.017 120.200 0.053 0.000 2.150 79 E HA -0.263 4.087 4.350 0.000 0.000 0.193 79 E C 1.677 178.301 176.600 0.039 0.000 0.985 79 E CA 1.544 57.963 56.400 0.031 0.000 0.814 79 E CB -0.234 29.469 29.700 0.005 0.000 0.752 79 E HN 0.554 nan 8.360 nan 0.000 0.466 80 D N 0.817 121.242 120.400 0.042 0.000 2.117 80 D HA -0.073 4.567 4.640 0.000 0.000 0.198 80 D C 2.042 178.478 176.300 0.227 0.000 0.982 80 D CA 0.922 54.916 54.000 -0.009 0.000 0.828 80 D CB -0.098 40.571 40.800 -0.219 0.000 0.967 80 D HN 0.306 nan 8.370 nan 0.000 0.464 81 I N 0.251 121.052 120.570 0.385 0.000 2.286 81 I HA -0.224 3.946 4.170 0.000 0.000 0.248 81 I C 2.307 178.564 176.117 0.234 0.000 1.115 81 I CA 0.538 62.085 61.300 0.412 0.000 1.392 81 I CB -0.001 38.164 38.000 0.276 0.000 1.065 81 I HN -0.101 nan 8.210 nan 0.000 0.418 82 V N 0.459 120.455 119.914 0.137 0.000 2.358 82 V HA -0.243 3.877 4.120 0.000 0.000 0.246 82 V C 2.546 178.687 176.094 0.079 0.000 1.047 82 V CA 1.481 63.822 62.300 0.068 0.000 1.035 82 V CB -0.640 31.199 31.823 0.026 0.000 0.658 82 V HN 0.311 nan 8.190 nan 0.000 0.452 83 K N 0.979 121.429 120.400 0.084 0.000 2.063 83 K HA -0.133 4.187 4.320 0.000 0.000 0.208 83 K C 2.155 178.817 176.600 0.102 0.000 1.048 83 K CA 1.803 58.129 56.287 0.064 0.000 0.928 83 K CB -1.157 31.358 32.500 0.024 0.000 0.713 83 K HN 0.498 nan 8.250 nan 0.000 0.442 84 G N 0.238 109.148 108.800 0.184 0.000 2.394 84 G HA2 -0.167 3.793 3.960 0.000 0.000 0.215 84 G HA3 -0.167 3.793 3.960 0.000 0.000 0.215 84 G C 1.750 176.755 174.900 0.175 0.000 1.165 84 G CA 0.526 45.755 45.100 0.215 0.000 0.784 84 G HN 0.287 nan 8.290 nan 0.000 0.535 85 I N 0.708 121.391 120.570 0.188 0.000 2.394 85 I HA -0.093 4.077 4.170 0.000 0.000 0.251 85 I C 2.304 178.520 176.117 0.165 0.000 1.136 85 I CA 0.774 62.208 61.300 0.223 0.000 1.425 85 I CB -0.082 38.042 38.000 0.206 0.000 1.079 85 I HN 0.186 nan 8.210 nan 0.000 0.425 86 N N -0.135 118.624 118.700 0.099 0.000 2.457 86 N HA -0.044 4.697 4.740 0.000 0.000 0.180 86 N C 0.849 176.397 175.510 0.064 0.000 1.050 86 N CA 0.188 53.275 53.050 0.063 0.000 0.906 86 N CB 0.169 38.676 38.487 0.033 0.000 0.968 86 N HN 0.291 nan 8.380 nan 0.000 0.445 87 S N 0.365 116.110 115.700 0.075 0.000 2.589 87 S HA 0.072 4.543 4.470 0.000 0.000 0.265 87 S C 0.328 174.964 174.600 0.060 0.000 1.342 87 S CA -0.292 57.943 58.200 0.059 0.000 1.005 87 S CB 0.813 64.050 63.200 0.062 0.000 0.909 87 S HN 0.076 nan 8.310 nan 0.000 0.555 88 N N 1.378 120.104 118.700 0.044 0.000 2.558 88 N HA 0.275 5.016 4.740 0.000 0.000 0.281 88 N C -1.013 174.516 175.510 0.032 0.000 1.219 88 N CA -0.140 52.935 53.050 0.041 0.000 0.942 88 N CB -0.035 38.471 38.487 0.032 0.000 1.241 88 N HN 0.538 nan 8.380 nan 0.000 0.511 89 N N 1.224 119.943 118.700 0.031 0.000 2.524 89 N HA 0.082 4.822 4.740 0.000 0.000 0.261 89 N C 0.609 176.115 175.510 -0.006 0.000 0.998 89 N CA -0.347 52.713 53.050 0.015 0.000 0.915 89 N CB 1.170 39.670 38.487 0.021 0.000 1.187 89 N HN 0.091 nan 8.380 nan 0.000 0.507 90 L N 3.584 124.792 121.223 -0.025 0.000 2.081 90 L HA -0.095 4.245 4.340 0.000 0.000 0.212 90 L C 1.839 178.652 176.870 -0.096 0.000 1.080 90 L CA 1.938 56.732 54.840 -0.076 0.000 0.754 90 L CB -0.073 41.947 42.059 -0.064 0.000 0.893 90 L HN 0.572 nan 8.230 nan 0.000 0.433 91 E N -0.935 119.234 120.200 -0.051 0.000 2.107 91 E HA -0.094 4.256 4.350 0.000 0.000 0.191 91 E C 2.279 178.863 176.600 -0.026 0.000 0.982 91 E CA 1.133 57.507 56.400 -0.044 0.000 0.809 91 E CB 0.000 29.689 29.700 -0.019 0.000 0.756 91 E HN 0.507 nan 8.360 nan 0.000 0.459 92 S N 1.038 116.740 115.700 0.003 0.000 2.383 92 S HA -0.129 4.341 4.470 0.000 0.000 0.227 92 S C 1.902 176.528 174.600 0.042 0.000 1.026 92 S CA 0.847 59.078 58.200 0.051 0.000 0.981 92 S CB -0.026 63.214 63.200 0.067 0.000 0.818 92 S HN 0.293 nan 8.310 nan 0.000 0.472 93 Q N 0.207 119.998 119.800 -0.015 0.000 2.119 93 Q HA -0.046 4.295 4.340 0.000 0.000 0.201 93 Q C 2.197 178.106 176.000 -0.152 0.000 0.972 93 Q CA 0.914 56.687 55.803 -0.050 0.000 0.847 93 Q CB -0.273 28.369 28.738 -0.159 0.000 0.903 93 Q HN 0.359 nan 8.270 nan 0.000 0.433 94 L N 1.270 122.379 121.223 -0.191 0.000 2.017 94 L HA -0.235 4.105 4.340 0.000 0.000 0.208 94 L C 2.176 178.946 176.870 -0.167 0.000 1.073 94 L CA 1.867 56.590 54.840 -0.195 0.000 0.745 94 L CB -0.602 41.366 42.059 -0.151 0.000 0.894 94 L HN 0.208 nan 8.230 nan 0.000 0.432 95 Q N -0.265 119.453 119.800 -0.137 0.000 2.119 95 Q HA -0.120 4.220 4.340 0.000 0.000 0.201 95 Q C 2.216 177.944 176.000 -0.453 0.000 0.972 95 Q CA 1.542 57.213 55.803 -0.220 0.000 0.847 95 Q CB -0.774 27.916 28.738 -0.081 0.000 0.903 95 Q HN 0.621 nan 8.270 nan 0.000 0.433 96 A N 1.578 124.227 122.820 -0.285 0.000 1.902 96 A HA -0.155 4.166 4.320 0.000 0.000 0.217 96 A C 2.334 179.789 177.584 -0.214 0.000 1.181 96 A CA 1.981 53.843 52.037 -0.291 0.000 0.623 96 A CB -0.922 18.151 19.000 0.121 0.000 0.818 96 A HN 0.396 nan 8.150 nan 0.000 0.443 97 T N -0.613 113.889 114.554 -0.087 0.000 2.821 97 T HA -0.152 4.198 4.350 0.000 0.000 0.267 97 T C 2.055 176.588 174.700 -0.278 0.000 1.046 97 T CA 1.512 63.584 62.100 -0.045 0.000 1.139 97 T CB -0.196 68.679 68.868 0.011 0.000 0.871 97 T HN 0.675 nan 8.240 nan 0.000 0.454 98 Q N 0.650 120.251 119.800 -0.331 0.000 2.119 98 Q HA -0.048 4.292 4.340 0.000 0.000 0.201 98 Q C 2.470 178.184 176.000 -0.477 0.000 0.972 98 Q CA 1.302 56.869 55.803 -0.394 0.000 0.847 98 Q CB -0.274 28.272 28.738 -0.320 0.000 0.903 98 Q HN 0.530 nan 8.270 nan 0.000 0.433 99 A N 0.859 123.311 122.820 -0.613 0.000 1.902 99 A HA -0.139 4.181 4.320 0.000 0.000 0.217 99 A C 2.295 179.646 177.584 -0.388 0.000 1.181 99 A CA 1.718 53.328 52.037 -0.711 0.000 0.623 99 A CB -1.025 17.108 19.000 -1.446 0.000 0.818 99 A HN 0.564 nan 8.150 nan 0.000 0.443 100 A N -0.170 122.485 122.820 -0.275 0.000 1.877 100 A HA -0.191 4.129 4.320 0.000 0.000 0.216 100 A C 2.292 179.724 177.584 -0.253 0.000 1.186 100 A CA 1.774 53.738 52.037 -0.121 0.000 0.620 100 A CB -0.560 18.504 19.000 0.107 0.000 0.822 100 A HN 0.558 nan 8.150 nan 0.000 0.443 101 R N 0.063 120.307 120.500 -0.427 0.000 2.096 101 R HA -0.141 4.200 4.340 0.000 0.000 0.235 101 R C 1.869 177.800 176.300 -0.616 0.000 1.127 101 R CA 1.869 57.594 56.100 -0.625 0.000 0.968 101 R CB -0.293 29.487 30.300 -0.867 0.000 0.861 101 R HN 0.524 nan 8.270 nan 0.000 0.440 102 K N 0.370 120.477 120.400 -0.490 0.000 2.148 102 K HA -0.036 4.284 4.320 0.000 0.000 0.204 102 K C 2.195 178.657 176.600 -0.229 0.000 1.050 102 K CA 1.009 57.073 56.287 -0.373 0.000 0.942 102 K CB -0.029 32.290 32.500 -0.301 0.000 0.724 102 K HN 0.219 nan 8.250 nan 0.000 0.446 103 L N 0.703 121.817 121.223 -0.181 0.000 2.017 103 L HA -0.175 4.165 4.340 0.000 0.000 0.208 103 L C 2.092 178.908 176.870 -0.089 0.000 1.073 103 L CA 1.241 56.026 54.840 -0.092 0.000 0.745 103 L CB -0.388 41.645 42.059 -0.044 0.000 0.894 103 L HN 0.197 nan 8.230 nan 0.000 0.432 104 L N -1.412 119.734 121.223 -0.129 0.000 2.551 104 L HA -0.071 4.269 4.340 0.000 0.000 0.228 104 L C 2.057 178.872 176.870 -0.091 0.000 1.153 104 L CA 0.357 55.137 54.840 -0.099 0.000 0.851 104 L CB -0.204 41.785 42.059 -0.116 0.000 0.959 104 L HN 0.079 nan 8.230 nan 0.000 0.451 105 S N -0.946 114.672 115.700 -0.137 0.000 2.539 105 S HA 0.106 4.576 4.470 0.000 0.000 0.221 105 S C 0.723 175.313 174.600 -0.017 0.000 0.987 105 S CA -0.504 57.663 58.200 -0.056 0.000 0.929 105 S CB 0.055 63.168 63.200 -0.144 0.000 0.832 105 S HN 0.399 nan 8.310 nan 0.000 0.492 106 R N 1.364 121.843 120.500 -0.036 0.000 2.537 106 R HA 0.236 4.577 4.340 0.000 0.000 0.280 106 R C 0.451 176.755 176.300 0.008 0.000 1.058 106 R CA -0.024 56.068 56.100 -0.013 0.000 1.057 106 R CB 0.389 30.679 30.300 -0.017 0.000 0.973 106 R HN -0.110 nan 8.270 nan 0.000 0.438 107 E N 1.548 121.758 120.200 0.017 0.000 2.219 107 E HA -0.149 4.201 4.350 0.000 0.000 0.198 107 E C -0.300 176.311 176.600 0.019 0.000 0.998 107 E CA 1.624 58.038 56.400 0.023 0.000 0.818 107 E CB 0.226 29.940 29.700 0.023 0.000 0.741 107 E HN 0.505 nan 8.360 nan 0.000 0.477 108 K N 0.853 121.262 120.400 0.015 0.000 2.535 108 K HA 0.260 4.581 4.320 0.000 0.000 0.253 108 K C -0.867 175.741 176.600 0.013 0.000 0.953 108 K CA -0.433 55.863 56.287 0.014 0.000 0.863 108 K CB 1.693 34.201 32.500 0.014 0.000 1.111 108 K HN -0.052 nan 8.250 nan 0.000 0.431 109 Q N 0.935 120.744 119.800 0.015 0.000 2.455 109 Q HA -0.118 4.222 4.340 0.000 0.000 0.343 109 Q C -2.284 173.723 176.000 0.012 0.000 1.458 109 Q CA -0.035 55.777 55.803 0.014 0.000 0.923 109 Q CB -1.590 27.157 28.738 0.014 0.000 1.149 109 Q HN 0.510 nan 8.270 nan 0.000 0.357 110 P HA 0.054 nan 4.420 nan 0.000 0.268 110 P C -2.142 175.166 177.300 0.013 0.000 1.204 110 P CA -0.990 62.113 63.100 0.006 0.000 0.768 110 P CB 0.105 31.806 31.700 0.002 0.000 0.842 111 P HA 0.162 nan 4.420 nan 0.000 0.231 111 P C 1.103 178.419 177.300 0.027 0.000 1.756 111 P CA -0.038 63.074 63.100 0.021 0.000 0.990 111 P CB -0.475 31.239 31.700 0.024 0.000 1.973 112 I N 0.022 120.609 120.570 0.027 0.000 2.226 112 I HA -0.221 3.949 4.170 0.000 0.000 0.245 112 I C 1.840 177.977 176.117 0.034 0.000 1.100 112 I CA 1.452 62.774 61.300 0.035 0.000 1.374 112 I CB -0.344 37.677 38.000 0.036 0.000 1.057 112 I HN 0.076 nan 8.210 nan 0.000 0.413 113 D N 0.663 121.079 120.400 0.027 0.000 2.144 113 D HA -0.129 4.511 4.640 0.000 0.000 0.200 113 D C 1.920 178.229 176.300 0.016 0.000 0.978 113 D CA 0.943 54.956 54.000 0.021 0.000 0.833 113 D CB -0.383 40.428 40.800 0.018 0.000 0.961 113 D HN 0.276 nan 8.370 nan 0.000 0.470 114 N N 0.809 119.520 118.700 0.018 0.000 2.120 114 N HA -0.111 4.630 4.740 0.000 0.000 0.188 114 N C 1.867 177.384 175.510 0.012 0.000 1.024 114 N CA 0.503 53.562 53.050 0.015 0.000 0.852 114 N CB -0.160 38.340 38.487 0.021 0.000 1.003 114 N HN 0.204 nan 8.380 nan 0.000 0.424 115 I N 1.222 121.806 120.570 0.024 0.000 2.252 115 I HA -0.155 4.015 4.170 0.000 0.000 0.245 115 I C 2.244 178.353 176.117 -0.012 0.000 1.102 115 I CA 0.728 62.044 61.300 0.026 0.000 1.385 115 I CB -0.946 37.105 38.000 0.085 0.000 1.064 115 I HN 0.068 nan 8.210 nan 0.000 0.414 116 I N 0.432 121.004 120.570 0.003 0.000 2.179 116 I HA -0.291 3.879 4.170 0.000 0.000 0.242 116 I C 2.799 178.897 176.117 -0.032 0.000 1.088 116 I CA 1.252 62.544 61.300 -0.014 0.000 1.357 116 I CB -0.396 37.609 38.000 0.008 0.000 1.051 116 I HN 0.160 nan 8.210 nan 0.000 0.409 117 R N 0.624 121.113 120.500 -0.019 0.000 2.105 117 R HA -0.155 4.185 4.340 0.000 0.000 0.239 117 R C 2.209 178.488 176.300 -0.035 0.000 1.135 117 R CA 1.473 57.561 56.100 -0.021 0.000 0.967 117 R CB -0.420 29.875 30.300 -0.010 0.000 0.861 117 R HN 0.373 nan 8.270 nan 0.000 0.442 118 A N 0.168 122.963 122.820 -0.042 0.000 2.248 118 A HA 0.079 4.399 4.320 0.000 0.000 0.210 118 A C 1.289 178.817 177.584 -0.092 0.000 1.174 118 A CA 0.924 52.928 52.037 -0.055 0.000 0.750 118 A CB -0.361 18.610 19.000 -0.048 0.000 0.780 118 A HN 0.490 nan 8.150 nan 0.000 0.478 119 G N -1.091 107.646 108.800 -0.106 0.000 2.246 119 G HA2 -0.246 3.714 3.960 0.000 0.000 0.273 119 G HA3 -0.246 3.714 3.960 0.000 0.000 0.273 119 G C 0.531 175.293 174.900 -0.231 0.000 1.055 119 G CA 0.479 45.498 45.100 -0.136 0.000 0.851 119 G HN 0.485 nan 8.290 nan 0.000 0.500 120 L N -0.673 120.355 121.223 -0.325 0.000 2.375 120 L HA 0.244 4.584 4.340 0.000 0.000 0.215 120 L C 2.917 179.306 176.870 -0.802 0.000 1.108 120 L CA 0.212 54.658 54.840 -0.657 0.000 0.830 120 L CB -0.288 41.258 42.059 -0.854 0.000 0.959 120 L HN 0.392 nan 8.230 nan 0.000 0.457 121 I N 0.917 121.249 120.570 -0.396 0.000 2.118 121 I HA -0.249 3.921 4.170 0.000 0.000 0.241 121 I C -0.252 175.747 176.117 -0.198 0.000 1.070 121 I CA 1.825 63.017 61.300 -0.181 0.000 1.327 121 I CB -1.431 36.531 38.000 -0.063 0.000 1.034 121 I HN 0.222 nan 8.210 nan 0.000 0.405 122 P HA -0.178 nan 4.420 nan 0.000 0.216 122 P C 1.316 178.441 177.300 -0.291 0.000 1.150 122 P CA 1.450 64.430 63.100 -0.200 0.000 0.837 122 P CB -0.104 31.496 31.700 -0.167 0.000 0.786 123 K N -1.457 118.683 120.400 -0.433 0.000 2.057 123 K HA -0.063 4.257 4.320 0.000 0.000 0.206 123 K C 2.035 178.109 176.600 -0.877 0.000 1.050 123 K CA 1.200 57.079 56.287 -0.679 0.000 0.935 123 K CB -0.985 31.102 32.500 -0.689 0.000 0.715 123 K HN 0.145 nan 8.250 nan 0.000 0.439 124 F N 1.564 121.185 119.950 -0.549 0.000 2.102 124 F HA -0.143 4.385 4.527 0.000 0.000 0.298 124 F C 2.531 178.169 175.800 -0.270 0.000 1.105 124 F CA 0.357 58.152 58.000 -0.341 0.000 1.239 124 F CB -1.271 37.644 39.000 -0.142 0.000 0.991 124 F HN -0.277 nan 8.300 nan 0.000 0.474 125 V N -0.263 119.613 119.914 -0.064 0.000 2.490 125 V HA -0.262 3.859 4.120 0.000 0.000 0.250 125 V C 2.544 178.556 176.094 -0.137 0.000 1.061 125 V CA 1.920 64.133 62.300 -0.145 0.000 1.064 125 V CB -0.972 30.762 31.823 -0.148 0.000 0.670 125 V HN 0.491 nan 8.190 nan 0.000 0.461 126 S N -0.232 115.362 115.700 -0.177 0.000 2.406 126 S HA -0.120 4.350 4.470 0.000 0.000 0.228 126 S C 1.866 176.503 174.600 0.062 0.000 1.020 126 S CA 1.041 59.177 58.200 -0.108 0.000 0.965 126 S CB -0.418 62.677 63.200 -0.174 0.000 0.798 126 S HN 0.440 nan 8.310 nan 0.000 0.488 127 F N 2.037 121.997 119.950 0.017 0.000 2.365 127 F HA 0.257 4.784 4.527 0.000 0.000 0.300 127 F C 1.990 177.784 175.800 -0.011 0.000 1.090 127 F CA -0.323 57.689 58.000 0.020 0.000 1.408 127 F CB -0.966 38.069 39.000 0.057 0.000 1.060 127 F HN 0.223 nan 8.300 nan 0.000 0.534 128 L N -0.709 120.586 121.223 0.119 0.000 2.127 128 L HA -0.151 4.190 4.340 0.000 0.000 0.211 128 L C 2.445 179.332 176.870 0.029 0.000 1.089 128 L CA 1.434 56.280 54.840 0.011 0.000 0.757 128 L CB -1.146 40.811 42.059 -0.170 0.000 0.899 128 L HN 0.219 nan 8.230 nan 0.000 0.434 129 G N -0.668 108.157 108.800 0.040 0.000 2.985 129 G HA2 -0.068 3.893 3.960 0.000 0.000 0.209 129 G HA3 -0.068 3.893 3.960 0.000 0.000 0.209 129 G C 0.767 175.703 174.900 0.061 0.000 1.165 129 G CA -0.289 44.835 45.100 0.041 0.000 0.776 129 G HN 0.199 nan 8.290 nan 0.000 0.541 130 K N 1.736 122.187 120.400 0.084 0.000 2.121 130 K HA 0.131 4.452 4.320 0.000 0.000 0.235 130 K C 1.196 177.828 176.600 0.052 0.000 1.200 130 K CA -0.163 56.165 56.287 0.069 0.000 1.115 130 K CB 0.196 32.736 32.500 0.068 0.000 1.474 130 K HN 0.071 nan 8.250 nan 0.000 0.295 131 T N 0.625 115.211 114.554 0.053 0.000 2.803 131 T HA -0.190 4.160 4.350 0.000 0.000 0.269 131 T C 1.445 176.179 174.700 0.056 0.000 1.052 131 T CA 1.728 63.863 62.100 0.058 0.000 1.136 131 T CB -0.146 68.753 68.868 0.052 0.000 0.864 131 T HN 0.618 nan 8.240 nan 0.000 0.467 132 D N 0.177 120.601 120.400 0.040 0.000 2.264 132 D HA -0.059 4.582 4.640 0.000 0.000 0.208 132 D C 0.997 177.309 176.300 0.021 0.000 0.966 132 D CA 0.347 54.366 54.000 0.032 0.000 0.864 132 D CB -0.532 40.282 40.800 0.023 0.000 0.933 132 D HN 0.432 nan 8.370 nan 0.000 0.499 133 C N 2.276 121.582 119.300 0.010 0.000 3.169 133 C HA 0.411 4.871 4.460 0.000 0.000 0.232 133 C C 2.095 177.077 174.990 -0.014 0.000 1.316 133 C CA -0.047 58.962 59.018 -0.015 0.000 1.545 133 C CB -1.216 26.496 27.740 -0.046 0.000 1.785 133 C HN 0.356 nan 8.230 nan 0.000 0.454 134 S N 3.446 119.135 115.700 -0.019 0.000 2.374 134 S HA -0.117 4.354 4.470 0.000 0.000 0.227 134 S C -0.653 173.929 174.600 -0.029 0.000 1.037 134 S CA 2.026 60.191 58.200 -0.058 0.000 1.024 134 S CB -1.281 61.764 63.200 -0.258 0.000 0.861 134 S HN 0.624 nan 8.310 nan 0.000 0.456 135 P HA -0.047 nan 4.420 nan 0.000 0.216 135 P C 1.655 179.005 177.300 0.084 0.000 1.153 135 P CA 1.040 64.174 63.100 0.057 0.000 0.858 135 P CB -0.156 31.548 31.700 0.007 0.000 0.789 136 I N -1.236 119.327 120.570 -0.011 0.000 2.546 136 I HA -0.223 3.947 4.170 0.000 0.000 0.255 136 I C 2.252 178.378 176.117 0.016 0.000 1.163 136 I CA 1.223 62.482 61.300 -0.069 0.000 1.457 136 I CB -0.123 37.737 38.000 -0.233 0.000 1.092 136 I HN -0.063 nan 8.210 nan 0.000 0.434 137 Q N -0.186 119.650 119.800 0.060 0.000 2.050 137 Q HA -0.255 4.085 4.340 0.000 0.000 0.202 137 Q C 2.112 178.196 176.000 0.140 0.000 0.980 137 Q CA 2.063 57.924 55.803 0.098 0.000 0.840 137 Q CB -0.212 28.579 28.738 0.088 0.000 0.898 137 Q HN 0.524 nan 8.270 nan 0.000 0.424 138 F N 1.875 121.828 119.950 0.005 0.000 2.102 138 F HA -0.188 4.340 4.527 0.000 0.000 0.298 138 F C 2.031 177.898 175.800 0.112 0.000 1.105 138 F CA 1.390 59.420 58.000 0.050 0.000 1.239 138 F CB -0.082 38.962 39.000 0.073 0.000 0.991 138 F HN -0.012 nan 8.300 nan 0.000 0.474 139 E N 0.316 120.447 120.200 -0.116 0.000 2.077 139 E HA -0.188 4.162 4.350 0.000 0.000 0.193 139 E C 2.446 178.851 176.600 -0.325 0.000 0.989 139 E CA 1.659 57.876 56.400 -0.305 0.000 0.800 139 E CB -0.814 28.760 29.700 -0.211 0.000 0.746 139 E HN 0.560 nan 8.360 nan 0.000 0.452 140 S N 0.777 116.357 115.700 -0.199 0.000 2.406 140 S HA 0.060 4.530 4.470 0.000 0.000 0.228 140 S C 2.227 176.737 174.600 -0.149 0.000 1.020 140 S CA 0.830 58.865 58.200 -0.274 0.000 0.965 140 S CB -0.038 63.179 63.200 0.028 0.000 0.798 140 S HN 0.248 nan 8.310 nan 0.000 0.488 141 A N 1.558 124.377 122.820 -0.002 0.000 1.898 141 A HA -0.031 4.289 4.320 0.000 0.000 0.216 141 A C 1.918 179.572 177.584 0.117 0.000 1.181 141 A CA 1.306 53.477 52.037 0.223 0.000 0.620 141 A CB -1.308 17.863 19.000 0.284 0.000 0.819 141 A HN 0.754 nan 8.150 nan 0.000 0.442 142 W N 0.941 122.034 121.300 -0.345 0.000 2.358 142 W HA -0.099 4.561 4.660 0.000 0.000 0.303 142 W C 2.394 178.679 176.519 -0.390 0.000 1.208 142 W CA 1.615 58.680 57.345 -0.467 0.000 1.274 142 W CB -0.749 28.293 29.460 -0.696 0.000 1.138 142 W HN 0.393 nan 8.180 nan 0.000 0.515 143 A N 0.465 123.173 122.820 -0.185 0.000 1.873 143 A HA -0.162 4.159 4.320 0.000 0.000 0.215 143 A C 2.312 179.823 177.584 -0.122 0.000 1.186 143 A CA 1.801 53.654 52.037 -0.308 0.000 0.616 143 A CB -1.108 17.460 19.000 -0.719 0.000 0.823 143 A HN 0.291 nan 8.150 nan 0.000 0.442 144 L N -0.682 120.516 121.223 -0.042 0.000 2.083 144 L HA -0.162 4.178 4.340 0.000 0.000 0.209 144 L C 2.799 179.737 176.870 0.114 0.000 1.083 144 L CA 1.679 56.602 54.840 0.138 0.000 0.752 144 L CB -0.836 41.404 42.059 0.303 0.000 0.899 144 L HN 0.357 nan 8.230 nan 0.000 0.433 145 T N -0.337 114.239 114.554 0.037 0.000 2.665 145 T HA -0.187 4.163 4.350 0.000 0.000 0.268 145 T C 1.661 176.300 174.700 -0.101 0.000 1.035 145 T CA 1.756 63.777 62.100 -0.132 0.000 1.151 145 T CB -0.267 68.377 68.868 -0.373 0.000 0.862 145 T HN 0.290 nan 8.240 nan 0.000 0.438 146 N N 0.732 119.388 118.700 -0.074 0.000 2.244 146 N HA 0.106 4.846 4.740 0.000 0.000 0.183 146 N C 1.776 177.293 175.510 0.011 0.000 1.016 146 N CA 0.601 53.629 53.050 -0.036 0.000 0.866 146 N CB -0.359 38.118 38.487 -0.016 0.000 0.980 146 N HN 0.403 nan 8.380 nan 0.000 0.430 147 I N 0.431 121.019 120.570 0.031 0.000 2.252 147 I HA -0.162 4.008 4.170 0.000 0.000 0.245 147 I C 1.973 178.126 176.117 0.061 0.000 1.102 147 I CA 0.785 62.119 61.300 0.056 0.000 1.385 147 I CB -0.207 37.846 38.000 0.087 0.000 1.064 147 I HN 0.057 nan 8.210 nan 0.000 0.414 148 A N 0.342 123.198 122.820 0.061 0.000 2.172 148 A HA -0.147 4.173 4.320 0.000 0.000 0.216 148 A C 2.339 179.976 177.584 0.088 0.000 1.154 148 A CA 1.571 53.648 52.037 0.066 0.000 0.701 148 A CB -0.582 18.449 19.000 0.052 0.000 0.789 148 A HN 0.519 nan 8.150 nan 0.000 0.465 149 S N -0.742 115.009 115.700 0.084 0.000 2.562 149 S HA 0.278 4.748 4.470 0.000 0.000 0.221 149 S C 1.294 175.951 174.600 0.095 0.000 0.975 149 S CA 0.530 58.798 58.200 0.113 0.000 0.918 149 S CB -0.467 62.794 63.200 0.102 0.000 0.772 149 S HN 0.578 nan 8.310 nan 0.000 0.531 150 G N 1.844 110.691 108.800 0.077 0.000 2.679 150 G HA2 0.381 4.341 3.960 0.000 0.000 0.202 150 G HA3 0.381 4.341 3.960 0.000 0.000 0.202 150 G C 0.413 175.355 174.900 0.071 0.000 1.566 150 G CA 0.176 45.316 45.100 0.066 0.000 1.074 150 G HN 0.584 nan 8.290 nan 0.000 0.564 151 T N -2.731 111.859 114.554 0.061 0.000 2.667 151 T HA 0.207 4.557 4.350 0.000 0.000 0.305 151 T C 1.573 176.321 174.700 0.079 0.000 1.022 151 T CA 0.617 62.752 62.100 0.059 0.000 0.995 151 T CB 0.818 69.713 68.868 0.046 0.000 1.026 151 T HN 0.192 nan 8.240 nan 0.000 0.527 152 S N -0.204 115.540 115.700 0.072 0.000 2.368 152 S HA -0.075 4.395 4.470 0.000 0.000 0.224 152 S C 2.005 176.679 174.600 0.124 0.000 1.029 152 S CA 1.329 59.589 58.200 0.099 0.000 0.988 152 S CB -0.630 62.597 63.200 0.044 0.000 0.838 152 S HN 0.885 nan 8.310 nan 0.000 0.462 153 E N 1.389 121.638 120.200 0.082 0.000 2.110 153 E HA -0.148 4.202 4.350 0.000 0.000 0.193 153 E C 2.088 178.739 176.600 0.084 0.000 0.988 153 E CA 1.312 57.760 56.400 0.078 0.000 0.804 153 E CB -0.112 29.618 29.700 0.049 0.000 0.745 153 E HN 0.540 nan 8.360 nan 0.000 0.458 154 Q N -0.980 118.866 119.800 0.077 0.000 2.083 154 Q HA -0.073 4.267 4.340 0.000 0.000 0.198 154 Q C 2.140 178.187 176.000 0.079 0.000 0.969 154 Q CA 1.756 57.601 55.803 0.069 0.000 0.838 154 Q CB 0.011 28.786 28.738 0.061 0.000 0.900 154 Q HN 0.254 nan 8.270 nan 0.000 0.436 155 T N 1.192 115.810 114.554 0.106 0.000 2.788 155 T HA -0.151 4.199 4.350 0.000 0.000 0.268 155 T C 1.665 176.405 174.700 0.067 0.000 1.044 155 T CA 1.190 63.348 62.100 0.097 0.000 1.139 155 T CB -0.085 68.882 68.868 0.165 0.000 0.867 155 T HN 0.211 nan 8.240 nan 0.000 0.454 156 K N 1.041 121.555 120.400 0.190 0.000 2.097 156 K HA -0.031 4.289 4.320 0.000 0.000 0.206 156 K C 2.501 179.144 176.600 0.072 0.000 1.049 156 K CA 1.124 57.544 56.287 0.222 0.000 0.933 156 K CB -0.288 32.377 32.500 0.274 0.000 0.717 156 K HN 0.287 nan 8.250 nan 0.000 0.442 157 A N 0.567 123.422 122.820 0.058 0.000 1.908 157 A HA -0.127 4.193 4.320 0.000 0.000 0.218 157 A C 2.205 179.792 177.584 0.004 0.000 1.181 157 A CA 1.700 53.755 52.037 0.029 0.000 0.627 157 A CB -0.603 18.416 19.000 0.031 0.000 0.818 157 A HN 0.172 nan 8.150 nan 0.000 0.445 158 V N -0.509 119.407 119.914 0.003 0.000 2.307 158 V HA -0.213 3.907 4.120 0.000 0.000 0.245 158 V C 2.577 178.637 176.094 -0.056 0.000 1.045 158 V CA 1.925 64.228 62.300 0.004 0.000 1.024 158 V CB -0.786 31.066 31.823 0.047 0.000 0.651 158 V HN 0.369 nan 8.190 nan 0.000 0.449 159 V N 0.311 120.134 119.914 -0.152 0.000 2.343 159 V HA -0.271 3.849 4.120 0.000 0.000 0.247 159 V C 2.234 178.257 176.094 -0.118 0.000 1.051 159 V CA 2.242 64.396 62.300 -0.244 0.000 1.036 159 V CB -0.777 30.687 31.823 -0.599 0.000 0.654 159 V HN 0.537 nan 8.190 nan 0.000 0.451 160 D N 0.755 121.123 120.400 -0.054 0.000 2.221 160 D HA -0.100 4.541 4.640 0.000 0.000 0.204 160 D C 2.079 178.364 176.300 -0.026 0.000 0.982 160 D CA 1.410 55.404 54.000 -0.010 0.000 0.857 160 D CB -0.448 40.362 40.800 0.017 0.000 0.934 160 D HN 0.500 nan 8.370 nan 0.000 0.475 161 G N -0.835 107.939 108.800 -0.043 0.000 2.744 161 G HA2 0.216 4.177 3.960 0.000 0.000 0.211 161 G HA3 0.216 4.177 3.960 0.000 0.000 0.211 161 G C 1.143 176.003 174.900 -0.067 0.000 1.143 161 G CA 0.439 45.505 45.100 -0.056 0.000 0.788 161 G HN 0.443 nan 8.290 nan 0.000 0.534 162 G N -0.947 107.813 108.800 -0.067 0.000 2.142 162 G HA2 0.040 4.001 3.960 0.000 0.000 0.225 162 G HA3 0.040 4.001 3.960 0.000 0.000 0.225 162 G C 1.102 175.936 174.900 -0.110 0.000 1.015 162 G CA 0.756 45.814 45.100 -0.070 0.000 0.716 162 G HN 1.066 nan 8.290 nan 0.000 0.508 163 A N -0.429 122.318 122.820 -0.122 0.000 1.968 163 A HA 0.302 4.623 4.320 0.000 0.000 0.217 163 A C 2.362 179.892 177.584 -0.090 0.000 1.169 163 A CA 1.666 53.602 52.037 -0.168 0.000 0.638 163 A CB -0.227 18.743 19.000 -0.051 0.000 0.812 163 A HN 0.749 nan 8.150 nan 0.000 0.446 164 I N 0.607 121.117 120.570 -0.101 0.000 2.099 164 I HA -0.186 3.984 4.170 0.000 0.000 0.239 164 I C -0.316 175.746 176.117 -0.091 0.000 1.066 164 I CA 1.772 62.992 61.300 -0.133 0.000 1.324 164 I CB -1.209 36.505 38.000 -0.477 0.000 1.037 164 I HN 0.241 nan 8.210 nan 0.000 0.401 165 P HA -0.165 nan 4.420 nan 0.000 0.218 165 P C 1.309 178.622 177.300 0.022 0.000 1.149 165 P CA 1.958 65.085 63.100 0.044 0.000 0.817 165 P CB -0.048 31.728 31.700 0.126 0.000 0.785 166 A N -0.963 121.825 122.820 -0.055 0.000 1.930 166 A HA -0.122 4.198 4.320 0.000 0.000 0.217 166 A C 1.994 179.527 177.584 -0.086 0.000 1.175 166 A CA 1.116 53.084 52.037 -0.115 0.000 0.627 166 A CB -1.540 17.309 19.000 -0.250 0.000 0.815 166 A HN 0.025 nan 8.150 nan 0.000 0.443 167 F N -0.333 119.619 119.950 0.002 0.000 2.234 167 F HA 0.065 4.592 4.527 0.000 0.000 0.296 167 F C 2.006 177.825 175.800 0.031 0.000 1.089 167 F CA 0.453 58.464 58.000 0.018 0.000 1.343 167 F CB -0.376 38.626 39.000 0.003 0.000 1.040 167 F HN 0.095 nan 8.300 nan 0.000 0.498 168 I N -1.203 119.492 120.570 0.209 0.000 2.493 168 I HA -0.248 3.923 4.170 0.000 0.000 0.254 168 I C 2.250 178.437 176.117 0.118 0.000 1.160 168 I CA 0.926 62.311 61.300 0.142 0.000 1.445 168 I CB -0.389 37.681 38.000 0.117 0.000 1.086 168 I HN -0.047 nan 8.210 nan 0.000 0.433 169 S N 0.366 116.128 115.700 0.103 0.000 2.406 169 S HA 0.013 4.483 4.470 0.000 0.000 0.228 169 S C 1.867 176.521 174.600 0.090 0.000 1.020 169 S CA 0.871 59.118 58.200 0.079 0.000 0.965 169 S CB -0.097 63.136 63.200 0.054 0.000 0.798 169 S HN 0.375 nan 8.310 nan 0.000 0.488 170 L N 0.988 122.285 121.223 0.123 0.000 2.478 170 L HA 0.106 4.446 4.340 0.000 0.000 0.223 170 L C 1.752 178.707 176.870 0.141 0.000 1.140 170 L CA 0.361 55.284 54.840 0.139 0.000 0.842 170 L CB -0.363 41.812 42.059 0.193 0.000 0.953 170 L HN 0.308 nan 8.230 nan 0.000 0.452 171 L N -0.029 121.278 121.223 0.140 0.000 2.127 171 L HA -0.177 4.163 4.340 0.000 0.000 0.211 171 L C 2.334 179.270 176.870 0.110 0.000 1.089 171 L CA 1.124 56.043 54.840 0.131 0.000 0.757 171 L CB -0.456 41.669 42.059 0.110 0.000 0.899 171 L HN 0.246 nan 8.230 nan 0.000 0.434 172 A N -1.200 121.672 122.820 0.086 0.000 2.337 172 A HA 0.076 4.396 4.320 0.000 0.000 0.227 172 A C 1.112 178.725 177.584 0.047 0.000 1.259 172 A CA -0.024 52.051 52.037 0.063 0.000 0.870 172 A CB -0.204 18.826 19.000 0.051 0.000 0.927 172 A HN 0.249 nan 8.150 nan 0.000 0.497 173 S N 0.499 116.234 115.700 0.059 0.000 2.560 173 S HA 0.245 4.715 4.470 0.000 0.000 0.284 173 S C -1.126 173.460 174.600 -0.023 0.000 1.327 173 S CA -0.802 57.421 58.200 0.038 0.000 1.055 173 S CB 0.656 63.902 63.200 0.077 0.000 0.868 173 S HN 0.252 nan 8.310 nan 0.000 0.506 174 P HA 0.016 nan 4.420 nan 0.000 0.223 174 P C -0.369 176.734 177.300 -0.329 0.000 1.151 174 P CA 0.922 63.875 63.100 -0.245 0.000 0.787 174 P CB -0.023 31.466 31.700 -0.351 0.000 0.788 175 H N -0.348 118.701 119.070 -0.035 0.000 2.741 175 H HA 0.370 4.927 4.556 0.000 0.000 0.282 175 H C 1.286 176.548 175.328 -0.109 0.000 1.122 175 H CA -0.309 55.711 56.048 -0.046 0.000 1.293 175 H CB 1.047 30.733 29.762 -0.127 0.000 1.415 175 H HN -0.008 nan 8.280 nan 0.000 0.472 176 A N 3.896 126.715 122.820 -0.002 0.000 1.986 176 A HA -0.244 4.077 4.320 0.000 0.000 0.220 176 A C 2.038 179.558 177.584 -0.107 0.000 1.171 176 A CA 1.683 53.615 52.037 -0.175 0.000 0.640 176 A CB -0.674 18.117 19.000 -0.349 0.000 0.811 176 A HN 0.839 nan 8.150 nan 0.000 0.451 177 H N -1.259 117.743 119.070 -0.114 0.000 2.495 177 H HA 0.102 4.658 4.556 0.000 0.000 0.287 177 H C 1.812 177.200 175.328 0.100 0.000 1.033 177 H CA 1.233 57.228 56.048 -0.089 0.000 1.307 177 H CB -0.581 28.988 29.762 -0.322 0.000 1.401 177 H HN 0.517 nan 8.280 nan 0.000 0.555 178 I N 1.233 121.578 120.570 -0.374 0.000 2.339 178 I HA -0.189 3.981 4.170 0.000 0.000 0.245 178 I C 2.758 178.944 176.117 0.116 0.000 1.096 178 I CA 1.109 62.372 61.300 -0.062 0.000 1.408 178 I CB -0.181 37.742 38.000 -0.128 0.000 1.092 178 I HN 0.308 nan 8.210 nan 0.000 0.423 179 S N 0.533 116.292 115.700 0.099 0.000 2.402 179 S HA -0.262 4.208 4.470 0.000 0.000 0.229 179 S C 1.928 176.695 174.600 0.277 0.000 1.021 179 S CA 1.648 59.958 58.200 0.184 0.000 0.974 179 S CB -0.351 62.956 63.200 0.179 0.000 0.800 179 S HN 0.530 nan 8.310 nan 0.000 0.484 180 E N 0.032 120.428 120.200 0.326 0.000 2.106 180 E HA -0.172 4.179 4.350 0.000 0.000 0.192 180 E C 2.165 178.954 176.600 0.314 0.000 0.984 180 E CA 1.056 57.714 56.400 0.430 0.000 0.806 180 E CB -0.176 29.787 29.700 0.438 0.000 0.750 180 E HN 0.461 nan 8.360 nan 0.000 0.458 181 Q N -0.022 119.928 119.800 0.251 0.000 2.167 181 Q HA -0.062 4.278 4.340 0.000 0.000 0.202 181 Q C 2.030 178.069 176.000 0.066 0.000 0.970 181 Q CA 1.306 57.199 55.803 0.150 0.000 0.855 181 Q CB -0.185 28.625 28.738 0.120 0.000 0.911 181 Q HN 0.407 nan 8.270 nan 0.000 0.438 182 A N -0.010 122.886 122.820 0.126 0.000 1.930 182 A HA -0.086 4.234 4.320 0.000 0.000 0.217 182 A C 2.408 179.969 177.584 -0.039 0.000 1.175 182 A CA 1.189 53.250 52.037 0.040 0.000 0.627 182 A CB -0.509 18.645 19.000 0.256 0.000 0.815 182 A HN 0.195 nan 8.150 nan 0.000 0.443 183 V N -1.504 118.464 119.914 0.091 0.000 2.295 183 V HA -0.240 3.880 4.120 0.000 0.000 0.246 183 V C 2.275 178.451 176.094 0.137 0.000 1.049 183 V CA 1.830 64.179 62.300 0.082 0.000 1.024 183 V CB -0.812 31.057 31.823 0.077 0.000 0.648 183 V HN 0.851 nan 8.190 nan 0.000 0.447 184 W N 0.980 122.265 121.300 -0.026 0.000 2.355 184 W HA -0.210 4.451 4.660 0.000 0.000 0.309 184 W C 2.569 179.057 176.519 -0.052 0.000 1.206 184 W CA 2.315 59.669 57.345 0.015 0.000 1.284 184 W CB -0.812 28.603 29.460 -0.075 0.000 1.145 184 W HN 0.283 nan 8.180 nan 0.000 0.502 185 A N 0.488 123.288 122.820 -0.033 0.000 1.877 185 A HA -0.203 4.117 4.320 0.000 0.000 0.216 185 A C 2.295 179.730 177.584 -0.249 0.000 1.186 185 A CA 1.969 53.776 52.037 -0.383 0.000 0.620 185 A CB -1.205 16.925 19.000 -1.450 0.000 0.822 185 A HN 0.305 nan 8.150 nan 0.000 0.443 186 L N -0.677 120.397 121.223 -0.249 0.000 2.131 186 L HA -0.139 4.201 4.340 0.000 0.000 0.210 186 L C 2.779 179.612 176.870 -0.061 0.000 1.092 186 L CA 0.953 55.724 54.840 -0.116 0.000 0.759 186 L CB -0.773 41.247 42.059 -0.066 0.000 0.903 186 L HN 0.519 nan 8.230 nan 0.000 0.435 187 G N -0.261 108.541 108.800 0.003 0.000 2.418 187 G HA2 -0.260 3.700 3.960 0.000 0.000 0.217 187 G HA3 -0.260 3.700 3.960 0.000 0.000 0.217 187 G C 1.409 176.262 174.900 -0.079 0.000 1.158 187 G CA 0.579 45.597 45.100 -0.137 0.000 0.771 187 G HN 0.289 nan 8.290 nan 0.000 0.545 188 N N 0.523 119.359 118.700 0.227 0.000 2.188 188 N HA -0.008 4.732 4.740 0.000 0.000 0.184 188 N C 2.236 177.806 175.510 0.099 0.000 1.018 188 N CA 0.635 53.835 53.050 0.250 0.000 0.858 188 N CB -0.189 38.456 38.487 0.264 0.000 0.989 188 N HN 0.363 nan 8.380 nan 0.000 0.426 189 I N 0.662 121.247 120.570 0.024 0.000 2.163 189 I HA -0.200 3.970 4.170 0.000 0.000 0.240 189 I C 2.231 178.378 176.117 0.051 0.000 1.081 189 I CA 1.003 62.294 61.300 -0.016 0.000 1.353 189 I CB -0.306 37.623 38.000 -0.118 0.000 1.054 189 I HN 0.046 nan 8.210 nan 0.000 0.407 190 A N 0.856 123.672 122.820 -0.007 0.000 1.933 190 A HA -0.126 4.194 4.320 0.000 0.000 0.218 190 A C 2.362 179.923 177.584 -0.039 0.000 1.175 190 A CA 1.781 53.812 52.037 -0.010 0.000 0.628 190 A CB -1.397 17.553 19.000 -0.083 0.000 0.814 190 A HN 0.487 nan 8.150 nan 0.000 0.444 191 G N -0.544 108.204 108.800 -0.087 0.000 2.535 191 G HA2 -0.209 3.751 3.960 0.000 0.000 0.218 191 G HA3 -0.209 3.751 3.960 0.000 0.000 0.218 191 G C 1.121 176.013 174.900 -0.012 0.000 1.122 191 G CA 1.235 46.275 45.100 -0.100 0.000 0.769 191 G HN 0.587 nan 8.290 nan 0.000 0.549 192 D N -0.244 120.202 120.400 0.076 0.000 2.144 192 D HA 0.250 4.890 4.640 0.000 0.000 0.200 192 D C 1.313 177.621 176.300 0.013 0.000 0.978 192 D CA 1.550 55.614 54.000 0.107 0.000 0.833 192 D CB 0.013 40.998 40.800 0.307 0.000 0.961 192 D HN 0.418 nan 8.370 nan 0.000 0.470 193 G N -2.652 106.145 108.800 -0.005 0.000 2.315 193 G HA2 0.163 4.123 3.960 0.000 0.000 0.294 193 G HA3 0.163 4.123 3.960 0.000 0.000 0.294 193 G C 0.454 175.315 174.900 -0.064 0.000 1.300 193 G CA 0.112 45.168 45.100 -0.074 0.000 0.843 193 G HN -0.088 nan 8.290 nan 0.000 0.527 194 S N -0.126 115.524 115.700 -0.083 0.000 2.359 194 S HA -0.147 4.323 4.470 0.000 0.000 0.222 194 S C 2.882 177.459 174.600 -0.037 0.000 1.038 194 S CA 2.817 60.981 58.200 -0.060 0.000 1.051 194 S CB -0.695 62.467 63.200 -0.064 0.000 0.944 194 S HN 1.449 nan 8.310 nan 0.000 0.433 195 A N 1.309 124.079 122.820 -0.085 0.000 1.873 195 A HA -0.107 4.213 4.320 0.000 0.000 0.218 195 A C 1.909 179.540 177.584 0.078 0.000 1.193 195 A CA 1.696 53.693 52.037 -0.066 0.000 0.629 195 A CB -0.930 17.951 19.000 -0.198 0.000 0.826 195 A HN 0.452 nan 8.150 nan 0.000 0.447 196 F N -0.199 119.748 119.950 -0.005 0.000 2.234 196 F HA -0.030 4.497 4.527 0.000 0.000 0.299 196 F C 2.396 178.192 175.800 -0.008 0.000 1.087 196 F CA 0.949 58.949 58.000 -0.001 0.000 1.340 196 F CB -0.700 38.295 39.000 -0.008 0.000 1.031 196 F HN 0.311 nan 8.300 nan 0.000 0.500 197 R N 0.625 121.219 120.500 0.157 0.000 2.066 197 R HA -0.149 4.192 4.340 0.000 0.000 0.232 197 R C 1.549 177.888 176.300 0.065 0.000 1.131 197 R CA 1.978 58.115 56.100 0.063 0.000 0.955 197 R CB -0.393 29.907 30.300 -0.000 0.000 0.851 197 R HN 0.084 nan 8.270 nan 0.000 0.432 198 D N 0.742 121.183 120.400 0.068 0.000 2.219 198 D HA -0.128 4.513 4.640 0.000 0.000 0.205 198 D C 1.762 178.125 176.300 0.105 0.000 0.970 198 D CA 0.558 54.596 54.000 0.064 0.000 0.851 198 D CB -0.058 40.768 40.800 0.043 0.000 0.943 198 D HN 0.185 nan 8.370 nan 0.000 0.488 199 L N 0.333 121.651 121.223 0.159 0.000 2.109 199 L HA -0.054 4.287 4.340 0.000 0.000 0.207 199 L C 2.079 179.104 176.870 0.258 0.000 1.086 199 L CA 1.079 56.056 54.840 0.228 0.000 0.760 199 L CB -0.301 41.928 42.059 0.283 0.000 0.910 199 L HN -0.152 nan 8.230 nan 0.000 0.437 200 V N -0.335 119.665 119.914 0.144 0.000 2.515 200 V HA -0.259 3.862 4.120 0.000 0.000 0.250 200 V C 2.435 178.599 176.094 0.117 0.000 1.058 200 V CA 1.822 64.177 62.300 0.091 0.000 1.064 200 V CB -0.375 31.466 31.823 0.031 0.000 0.675 200 V HN 0.380 nan 8.190 nan 0.000 0.461 201 I N -0.643 119.985 120.570 0.095 0.000 2.353 201 I HA -0.179 3.991 4.170 0.000 0.000 0.248 201 I C 2.479 178.642 176.117 0.077 0.000 1.119 201 I CA 1.321 62.662 61.300 0.069 0.000 1.417 201 I CB -0.370 37.657 38.000 0.044 0.000 1.078 201 I HN 0.242 nan 8.210 nan 0.000 0.421 202 K N 0.002 120.458 120.400 0.093 0.000 2.148 202 K HA -0.147 4.173 4.320 0.000 0.000 0.204 202 K C 1.657 178.255 176.600 -0.003 0.000 1.050 202 K CA 1.156 57.464 56.287 0.035 0.000 0.942 202 K CB -0.169 32.339 32.500 0.013 0.000 0.724 202 K HN 0.382 nan 8.250 nan 0.000 0.446 203 H N -0.566 118.521 119.070 0.029 0.000 2.556 203 H HA 0.071 4.627 4.556 0.000 0.000 0.268 203 H C 0.653 175.998 175.328 0.028 0.000 0.996 203 H CA 0.760 56.825 56.048 0.029 0.000 1.157 203 H CB 0.262 30.044 29.762 0.033 0.000 1.355 203 H HN 0.408 nan 8.280 nan 0.000 0.597 204 G N 0.211 109.076 108.800 0.109 0.000 2.291 204 G HA2 -0.239 3.721 3.960 0.000 0.000 0.271 204 G HA3 -0.239 3.721 3.960 0.000 0.000 0.271 204 G C 1.009 175.953 174.900 0.074 0.000 1.099 204 G CA 0.388 45.531 45.100 0.072 0.000 0.919 204 G HN 0.589 nan 8.290 nan 0.000 0.496 205 A N -0.617 122.248 122.820 0.075 0.000 2.030 205 A HA 0.425 4.745 4.320 0.000 0.000 0.215 205 A C 2.338 179.943 177.584 0.036 0.000 1.164 205 A CA 1.411 53.484 52.037 0.059 0.000 0.697 205 A CB -0.122 18.909 19.000 0.052 0.000 0.827 205 A HN 0.703 nan 8.150 nan 0.000 0.457 206 I N 0.080 120.666 120.570 0.028 0.000 2.163 206 I HA -0.267 3.903 4.170 0.000 0.000 0.243 206 I C 1.941 178.067 176.117 0.014 0.000 1.085 206 I CA 1.551 62.860 61.300 0.014 0.000 1.347 206 I CB -0.433 37.574 38.000 0.012 0.000 1.044 206 I HN 0.231 nan 8.210 nan 0.000 0.408 207 D N 0.743 121.156 120.400 0.021 0.000 2.092 207 D HA -0.128 4.513 4.640 0.000 0.000 0.193 207 D C -0.377 175.936 176.300 0.022 0.000 0.994 207 D CA 1.565 55.576 54.000 0.019 0.000 0.828 207 D CB -1.637 39.176 40.800 0.022 0.000 0.963 207 D HN 0.231 nan 8.370 nan 0.000 0.450 208 P HA -0.079 nan 4.420 nan 0.000 0.216 208 P C 1.725 179.044 177.300 0.031 0.000 1.150 208 P CA 0.838 63.961 63.100 0.038 0.000 0.837 208 P CB -0.006 31.726 31.700 0.052 0.000 0.786 209 L N -1.411 119.824 121.223 0.019 0.000 2.005 209 L HA -0.139 4.201 4.340 0.000 0.000 0.207 209 L C 2.472 179.332 176.870 -0.015 0.000 1.072 209 L CA 1.332 56.171 54.840 -0.002 0.000 0.744 209 L CB -1.056 40.994 42.059 -0.014 0.000 0.895 209 L HN -0.082 nan 8.230 nan 0.000 0.433 210 L N -0.374 120.844 121.223 -0.009 0.000 2.265 210 L HA -0.155 4.185 4.340 0.000 0.000 0.215 210 L C 2.668 179.536 176.870 -0.004 0.000 1.117 210 L CA 0.782 55.615 54.840 -0.012 0.000 0.782 210 L CB -0.669 41.386 42.059 -0.006 0.000 0.914 210 L HN 0.259 nan 8.230 nan 0.000 0.441 211 A N -0.238 122.587 122.820 0.008 0.000 2.067 211 A HA -0.018 4.302 4.320 0.000 0.000 0.217 211 A C 2.168 179.767 177.584 0.025 0.000 1.156 211 A CA 0.722 52.769 52.037 0.017 0.000 0.683 211 A CB -0.313 18.702 19.000 0.025 0.000 0.808 211 A HN 0.373 nan 8.150 nan 0.000 0.455 212 L N -1.037 120.199 121.223 0.022 0.000 2.313 212 L HA 0.025 4.365 4.340 0.000 0.000 0.214 212 L C 1.769 178.648 176.870 0.014 0.000 1.119 212 L CA 0.574 55.439 54.840 0.042 0.000 0.809 212 L CB -0.149 41.924 42.059 0.022 0.000 0.933 212 L HN 0.352 nan 8.230 nan 0.000 0.449 213 L N -0.569 120.642 121.223 -0.019 0.000 2.616 213 L HA 0.225 4.566 4.340 0.000 0.000 0.229 213 L C 1.365 178.228 176.870 -0.011 0.000 1.110 213 L CA -0.349 54.471 54.840 -0.033 0.000 0.884 213 L CB -0.015 42.008 42.059 -0.059 0.000 1.115 213 L HN 0.036 nan 8.230 nan 0.000 0.481 214 A N 1.727 124.548 122.820 0.002 0.000 2.981 214 A HA 0.407 4.728 4.320 0.000 0.000 0.280 214 A C 0.071 177.662 177.584 0.012 0.000 1.797 214 A CA 0.020 52.060 52.037 0.006 0.000 1.456 214 A CB -1.040 17.965 19.000 0.009 0.000 1.057 214 A HN 0.129 nan 8.150 nan 0.000 0.602 215 V N -0.720 119.200 119.914 0.011 0.000 3.007 215 V HA 0.601 4.721 4.120 0.000 0.000 0.311 215 V C -2.002 174.101 176.094 0.014 0.000 1.120 215 V CA -1.684 60.626 62.300 0.017 0.000 0.980 215 V CB 1.125 32.964 31.823 0.026 0.000 1.033 215 V HN 0.337 nan 8.190 nan 0.000 0.429 216 P HA 0.021 nan 4.420 nan 0.000 0.215 216 P C -0.190 177.123 177.300 0.021 0.000 1.153 216 P CA 1.490 64.599 63.100 0.015 0.000 0.853 216 P CB 0.144 31.852 31.700 0.014 0.000 0.788 217 D N -1.505 118.913 120.400 0.030 0.000 2.575 217 D HA 0.148 4.789 4.640 0.000 0.000 0.250 217 D C 0.871 177.205 176.300 0.058 0.000 1.279 217 D CA -0.391 53.638 54.000 0.047 0.000 0.925 217 D CB 0.907 41.736 40.800 0.048 0.000 1.261 217 D HN -0.199 nan 8.370 nan 0.000 0.567 218 L N 1.876 123.137 121.223 0.063 0.000 2.349 218 L HA -0.110 4.231 4.340 0.000 0.000 0.220 218 L C 1.956 178.887 176.870 0.102 0.000 1.130 218 L CA 0.631 55.482 54.840 0.018 0.000 0.791 218 L CB -0.218 41.770 42.059 -0.118 0.000 0.918 218 L HN 0.287 nan 8.230 nan 0.000 0.444 219 S N -0.809 115.005 115.700 0.189 0.000 2.447 219 S HA -0.123 4.347 4.470 0.000 0.000 0.233 219 S C 2.048 176.714 174.600 0.111 0.000 1.006 219 S CA 1.540 59.856 58.200 0.194 0.000 0.957 219 S CB -0.226 63.052 63.200 0.130 0.000 0.773 219 S HN 0.657 nan 8.310 nan 0.000 0.507 220 T N -0.141 114.461 114.554 0.081 0.000 3.085 220 T HA 0.219 4.569 4.350 0.000 0.000 0.263 220 T C 0.519 175.259 174.700 0.067 0.000 1.127 220 T CA 0.103 62.240 62.100 0.061 0.000 1.103 220 T CB -0.342 68.554 68.868 0.046 0.000 0.921 220 T HN 0.157 nan 8.240 nan 0.000 0.510 221 L N 1.771 123.044 121.223 0.084 0.000 2.375 221 L HA 0.589 4.929 4.340 0.000 0.000 0.271 221 L C 0.847 177.790 176.870 0.121 0.000 1.107 221 L CA -1.150 53.761 54.840 0.117 0.000 0.806 221 L CB 0.665 42.797 42.059 0.121 0.000 1.146 221 L HN 0.204 nan 8.230 nan 0.000 0.447 222 A N 1.620 124.525 122.820 0.142 0.000 2.524 222 A HA -0.024 4.296 4.320 0.000 0.000 0.250 222 A C 1.165 178.832 177.584 0.137 0.000 1.078 222 A CA -0.176 51.931 52.037 0.116 0.000 0.761 222 A CB 0.197 19.248 19.000 0.084 0.000 1.012 222 A HN 1.082 nan 8.150 nan 0.000 0.500 223 C N 2.942 122.301 119.300 0.098 0.000 2.367 223 C HA -0.172 4.288 4.460 0.000 0.000 0.276 223 C C 2.789 177.822 174.990 0.072 0.000 1.195 223 C CA 2.190 61.261 59.018 0.088 0.000 1.756 223 C CB -1.558 26.223 27.740 0.069 0.000 2.046 223 C HN 0.993 nan 8.230 nan 0.000 0.453 224 G N -2.087 106.754 108.800 0.070 0.000 2.442 224 G HA2 -0.266 3.694 3.960 0.000 0.000 0.219 224 G HA3 -0.266 3.694 3.960 0.000 0.000 0.219 224 G C 1.453 176.403 174.900 0.083 0.000 1.141 224 G CA 1.148 46.277 45.100 0.049 0.000 0.763 224 G HN 0.685 nan 8.290 nan 0.000 0.554 225 Y N 0.682 120.976 120.300 -0.009 0.000 2.145 225 Y HA -0.054 4.497 4.550 0.000 0.000 0.286 225 Y C 2.500 178.389 175.900 -0.018 0.000 1.145 225 Y CA 1.213 59.313 58.100 -0.001 0.000 1.148 225 Y CB -0.541 37.928 38.460 0.015 0.000 0.981 225 Y HN 0.135 nan 8.280 nan 0.000 0.507 226 L N 0.807 122.007 121.223 -0.038 0.000 2.046 226 L HA -0.183 4.157 4.340 0.000 0.000 0.208 226 L C 2.340 179.132 176.870 -0.131 0.000 1.077 226 L CA 1.775 56.525 54.840 -0.152 0.000 0.747 226 L CB -0.769 41.224 42.059 -0.111 0.000 0.896 226 L HN 0.142 nan 8.230 nan 0.000 0.432 227 R N -0.786 119.669 120.500 -0.074 0.000 2.120 227 R HA -0.119 4.221 4.340 0.000 0.000 0.234 227 R C 2.072 178.323 176.300 -0.082 0.000 1.123 227 R CA 1.278 57.340 56.100 -0.064 0.000 0.975 227 R CB -0.422 29.836 30.300 -0.071 0.000 0.866 227 R HN 0.483 nan 8.270 nan 0.000 0.446 228 N N 0.696 119.313 118.700 -0.140 0.000 2.171 228 N HA -0.093 4.647 4.740 0.000 0.000 0.184 228 N C 1.883 177.368 175.510 -0.043 0.000 1.021 228 N CA 1.041 54.002 53.050 -0.148 0.000 0.854 228 N CB -0.046 38.338 38.487 -0.172 0.000 0.994 228 N HN 0.151 nan 8.380 nan 0.000 0.426 229 L N 0.838 121.969 121.223 -0.153 0.000 2.017 229 L HA -0.165 4.175 4.340 0.000 0.000 0.208 229 L C 2.323 179.148 176.870 -0.076 0.000 1.073 229 L CA 1.194 55.941 54.840 -0.155 0.000 0.745 229 L CB -0.750 41.142 42.059 -0.279 0.000 0.894 229 L HN 0.144 nan 8.230 nan 0.000 0.432 230 T N -1.496 113.023 114.554 -0.057 0.000 2.684 230 T HA -0.278 4.072 4.350 0.000 0.000 0.267 230 T C 1.304 176.032 174.700 0.047 0.000 1.036 230 T CA 1.757 63.850 62.100 -0.011 0.000 1.148 230 T CB -0.457 68.412 68.868 0.002 0.000 0.863 230 T HN 0.513 nan 8.240 nan 0.000 0.436 231 W N 1.765 123.000 121.300 -0.108 0.000 2.355 231 W HA -0.169 4.491 4.660 0.000 0.000 0.309 231 W C 2.361 178.832 176.519 -0.080 0.000 1.206 231 W CA 1.568 58.855 57.345 -0.097 0.000 1.284 231 W CB -0.866 28.485 29.460 -0.182 0.000 1.145 231 W HN 0.088 nan 8.180 nan 0.000 0.502 232 T N 1.488 115.955 114.554 -0.145 0.000 2.746 232 T HA -0.211 4.140 4.350 0.000 0.000 0.267 232 T C 1.941 176.474 174.700 -0.279 0.000 1.039 232 T CA 1.814 63.702 62.100 -0.352 0.000 1.142 232 T CB -0.538 68.272 68.868 -0.098 0.000 0.866 232 T HN 0.135 nan 8.240 nan 0.000 0.444 233 L N 1.318 122.450 121.223 -0.152 0.000 2.046 233 L HA -0.121 4.219 4.340 0.000 0.000 0.208 233 L C 2.884 179.698 176.870 -0.093 0.000 1.077 233 L CA 1.521 56.302 54.840 -0.099 0.000 0.747 233 L CB -0.609 41.415 42.059 -0.057 0.000 0.896 233 L HN 0.384 nan 8.230 nan 0.000 0.432 234 S N -0.572 115.068 115.700 -0.099 0.000 2.419 234 S HA -0.168 4.302 4.470 0.000 0.000 0.233 234 S C 1.727 176.301 174.600 -0.043 0.000 1.016 234 S CA 1.342 59.540 58.200 -0.003 0.000 0.974 234 S CB -0.369 62.863 63.200 0.054 0.000 0.786 234 S HN 0.385 nan 8.310 nan 0.000 0.492 235 N N 1.191 119.715 118.700 -0.293 0.000 2.457 235 N HA 0.224 4.965 4.740 0.000 0.000 0.180 235 N C 1.337 176.719 175.510 -0.213 0.000 1.050 235 N CA 0.606 53.446 53.050 -0.351 0.000 0.906 235 N CB -0.412 37.715 38.487 -0.600 0.000 0.968 235 N HN 0.468 nan 8.380 nan 0.000 0.445 236 L N -0.949 120.187 121.223 -0.146 0.000 2.492 236 L HA 0.033 4.373 4.340 0.000 0.000 0.223 236 L C 1.168 178.014 176.870 -0.041 0.000 1.132 236 L CA 0.266 55.056 54.840 -0.083 0.000 0.850 236 L CB 0.149 42.171 42.059 -0.061 0.000 0.966 236 L HN 0.191 nan 8.230 nan 0.000 0.454 237 C N -1.432 117.862 119.300 -0.009 0.000 2.865 237 C HA 0.133 4.593 4.460 0.000 0.000 0.280 237 C C 1.672 176.688 174.990 0.044 0.000 1.255 237 C CA -0.560 58.494 59.018 0.059 0.000 1.705 237 C CB -0.389 27.437 27.740 0.143 0.000 2.080 237 C HN 0.304 nan 8.230 nan 0.000 0.591 238 R N 2.060 122.492 120.500 -0.113 0.000 2.637 238 R HA 0.180 4.520 4.340 0.000 0.000 0.269 238 R C -0.533 175.592 176.300 -0.293 0.000 1.089 238 R CA 0.379 56.206 56.100 -0.456 0.000 1.177 238 R CB 0.258 30.143 30.300 -0.691 0.000 1.091 238 R HN 0.446 nan 8.270 nan 0.000 0.540 239 N N 0.826 119.322 118.700 -0.339 0.000 4.312 239 N HA -0.154 4.587 4.740 0.000 0.000 0.332 239 N C -0.714 174.734 175.510 -0.104 0.000 2.112 239 N CA 0.435 53.371 53.050 -0.191 0.000 2.940 239 N CB -0.069 38.325 38.487 -0.155 0.000 0.336 239 N HN 0.709 nan 8.380 nan 0.000 0.750 240 K N 0.545 120.902 120.400 -0.072 0.000 2.438 240 K HA 0.191 4.511 4.320 0.000 0.000 0.206 240 K C -0.566 176.018 176.600 -0.027 0.000 1.081 240 K CA 0.069 56.336 56.287 -0.033 0.000 1.053 240 K CB 0.378 32.870 32.500 -0.013 0.000 0.908 240 K HN 0.357 nan 8.250 nan 0.000 0.556 241 N N 2.527 121.205 118.700 -0.038 0.000 2.762 241 N HA 0.229 4.969 4.740 0.000 0.000 0.252 241 N C -2.570 172.919 175.510 -0.036 0.000 1.269 241 N CA -0.791 52.241 53.050 -0.031 0.000 0.799 241 N CB 1.729 40.197 38.487 -0.031 0.000 1.173 241 N HN 0.181 nan 8.380 nan 0.000 0.516 242 P HA 0.400 nan 4.420 nan 0.000 0.277 242 P C -0.489 176.799 177.300 -0.020 0.000 1.271 242 P CA -0.472 62.616 63.100 -0.019 0.000 0.795 242 P CB 1.018 32.710 31.700 -0.014 0.000 1.101 243 A N 0.829 123.643 122.820 -0.010 0.000 2.271 243 A HA 0.574 4.894 4.320 0.000 0.000 0.288 243 A C -2.182 175.400 177.584 -0.004 0.000 1.094 243 A CA -1.472 50.561 52.037 -0.006 0.000 0.828 243 A CB -1.220 17.785 19.000 0.007 0.000 1.091 243 A HN 0.416 nan 8.150 nan 0.000 0.493 244 P HA 0.200 nan 4.420 nan 0.000 0.267 244 P C -2.516 174.788 177.300 0.006 0.000 1.200 244 P CA -0.678 62.423 63.100 0.001 0.000 0.772 244 P CB -0.590 31.113 31.700 0.004 0.000 0.855 245 P HA 0.021 nan 4.420 nan 0.000 0.262 245 P C 1.143 178.449 177.300 0.009 0.000 1.182 245 P CA 0.329 63.434 63.100 0.008 0.000 0.761 245 P CB 0.223 31.929 31.700 0.009 0.000 0.795 246 L N 2.672 123.900 121.223 0.009 0.000 1.990 246 L HA -0.244 4.096 4.340 0.000 0.000 0.213 246 L C 2.104 178.980 176.870 0.009 0.000 1.072 246 L CA 2.156 57.001 54.840 0.010 0.000 0.755 246 L CB -0.739 41.325 42.059 0.008 0.000 0.889 246 L HN 0.541 nan 8.230 nan 0.000 0.432 247 D N -0.046 120.359 120.400 0.008 0.000 2.310 247 D HA -0.164 4.476 4.640 0.000 0.000 0.212 247 D C 1.849 178.154 176.300 0.008 0.000 0.965 247 D CA 1.242 55.246 54.000 0.007 0.000 0.879 247 D CB 0.172 40.975 40.800 0.006 0.000 0.921 247 D HN 0.344 nan 8.370 nan 0.000 0.510 248 A N 0.835 123.660 122.820 0.009 0.000 1.930 248 A HA 0.054 4.375 4.320 0.000 0.000 0.215 248 A C 2.583 180.173 177.584 0.009 0.000 1.176 248 A CA 0.808 52.851 52.037 0.009 0.000 0.632 248 A CB -0.507 18.499 19.000 0.010 0.000 0.819 248 A HN 0.170 nan 8.150 nan 0.000 0.445 249 V N 0.267 120.188 119.914 0.012 0.000 2.307 249 V HA -0.191 3.930 4.120 0.000 0.000 0.245 249 V C 2.551 178.652 176.094 0.012 0.000 1.045 249 V CA 2.027 64.336 62.300 0.015 0.000 1.024 249 V CB -0.698 31.137 31.823 0.019 0.000 0.651 249 V HN 0.458 nan 8.190 nan 0.000 0.449 250 E N -0.060 120.146 120.200 0.010 0.000 2.118 250 E HA -0.271 4.080 4.350 0.000 0.000 0.195 250 E C 2.212 178.816 176.600 0.006 0.000 0.992 250 E CA 1.444 57.848 56.400 0.008 0.000 0.804 250 E CB -0.277 29.427 29.700 0.007 0.000 0.741 250 E HN 0.671 nan 8.360 nan 0.000 0.458 251 Q N -0.225 119.579 119.800 0.006 0.000 2.119 251 Q HA -0.090 4.250 4.340 0.000 0.000 0.201 251 Q C 2.224 178.226 176.000 0.003 0.000 0.972 251 Q CA 0.958 56.764 55.803 0.005 0.000 0.847 251 Q CB 0.047 28.788 28.738 0.006 0.000 0.903 251 Q HN 0.267 nan 8.270 nan 0.000 0.433 252 I N -0.015 120.557 120.570 0.004 0.000 2.480 252 I HA -0.215 3.955 4.170 0.000 0.000 0.251 252 I C 2.059 178.179 176.117 0.005 0.000 1.124 252 I CA 0.248 61.550 61.300 0.002 0.000 1.444 252 I CB -0.057 37.944 38.000 0.002 0.000 1.098 252 I HN 0.191 nan 8.210 nan 0.000 0.428 253 L N 1.055 122.283 121.223 0.009 0.000 2.010 253 L HA -0.245 4.095 4.340 0.000 0.000 0.219 253 L C -0.283 176.593 176.870 0.010 0.000 1.077 253 L CA 2.179 57.026 54.840 0.011 0.000 0.773 253 L CB -1.903 40.163 42.059 0.012 0.000 0.892 253 L HN 0.209 nan 8.230 nan 0.000 0.436 254 P HA -0.154 nan 4.420 nan 0.000 0.216 254 P C 1.564 178.865 177.300 0.001 0.000 1.153 254 P CA 1.611 64.711 63.100 0.001 0.000 0.858 254 P CB -0.076 31.623 31.700 -0.003 0.000 0.789 255 T N -0.575 113.979 114.554 -0.001 0.000 2.812 255 T HA -0.066 4.284 4.350 0.000 0.000 0.264 255 T C 1.656 176.359 174.700 0.004 0.000 1.042 255 T CA 0.678 62.776 62.100 -0.004 0.000 1.140 255 T CB -0.841 68.019 68.868 -0.013 0.000 0.870 255 T HN -0.056 nan 8.240 nan 0.000 0.445 256 L N 1.330 122.558 121.223 0.008 0.000 2.079 256 L HA -0.047 4.294 4.340 0.000 0.000 0.210 256 L C 2.470 179.363 176.870 0.038 0.000 1.081 256 L CA 1.354 56.204 54.840 0.016 0.000 0.752 256 L CB -0.822 41.246 42.059 0.014 0.000 0.896 256 L HN 0.104 nan 8.230 nan 0.000 0.433 257 V N -0.907 119.033 119.914 0.043 0.000 2.490 257 V HA -0.274 3.846 4.120 0.000 0.000 0.250 257 V C 2.705 178.876 176.094 0.127 0.000 1.061 257 V CA 1.782 64.130 62.300 0.081 0.000 1.064 257 V CB -0.581 31.270 31.823 0.046 0.000 0.670 257 V HN 0.433 nan 8.190 nan 0.000 0.461 258 R N -0.497 120.040 120.500 0.062 0.000 2.115 258 R HA -0.008 4.332 4.340 0.000 0.000 0.226 258 R C 2.166 178.531 176.300 0.109 0.000 1.100 258 R CA 1.092 57.226 56.100 0.056 0.000 0.980 258 R CB -0.138 30.169 30.300 0.011 0.000 0.875 258 R HN 0.437 nan 8.270 nan 0.000 0.445 259 L N 0.132 121.398 121.223 0.073 0.000 2.217 259 L HA -0.107 4.233 4.340 0.000 0.000 0.211 259 L C 1.858 178.790 176.870 0.103 0.000 1.107 259 L CA 0.249 55.127 54.840 0.063 0.000 0.783 259 L CB -0.194 41.870 42.059 0.009 0.000 0.919 259 L HN 0.195 nan 8.230 nan 0.000 0.442 260 L N -0.894 120.388 121.223 0.099 0.000 2.549 260 L HA -0.135 4.205 4.340 0.000 0.000 0.229 260 L C 1.851 178.678 176.870 -0.071 0.000 1.158 260 L CA 1.565 56.414 54.840 0.016 0.000 0.842 260 L CB -0.716 41.342 42.059 -0.002 0.000 0.952 260 L HN 0.305 nan 8.230 nan 0.000 0.452 261 H N -3.185 115.909 119.070 0.040 0.000 2.672 261 H HA 0.154 4.711 4.556 0.000 0.000 0.277 261 H C -0.114 175.255 175.328 0.069 0.000 1.074 261 H CA -0.288 55.782 56.048 0.037 0.000 1.173 261 H CB 0.367 30.145 29.762 0.026 0.000 1.558 261 H HN 0.265 nan 8.280 nan 0.000 0.539 262 H N 2.013 121.124 119.070 0.067 0.000 2.615 262 H HA -0.008 4.548 4.556 0.000 0.000 0.363 262 H C 1.222 176.558 175.328 0.012 0.000 1.148 262 H CA -0.153 55.918 56.048 0.038 0.000 1.401 262 H CB 0.891 30.669 29.762 0.026 0.000 1.461 262 H HN 0.242 nan 8.280 nan 0.000 0.588 263 N N 1.044 119.424 118.700 -0.533 0.000 2.383 263 N HA -0.045 4.695 4.740 0.000 0.000 0.192 263 N C -0.732 174.644 175.510 -0.223 0.000 1.141 263 N CA -0.073 52.791 53.050 -0.311 0.000 0.851 263 N CB 0.119 38.441 38.487 -0.275 0.000 0.976 263 N HN 0.444 nan 8.380 nan 0.000 0.465 264 D N 0.812 121.117 120.400 -0.158 0.000 2.274 264 D HA 0.242 4.882 4.640 0.000 0.000 0.239 264 D C -1.479 174.842 176.300 0.034 0.000 1.104 264 D CA -2.491 51.514 54.000 0.008 0.000 0.840 264 D CB 1.705 42.599 40.800 0.158 0.000 1.100 264 D HN -0.083 nan 8.370 nan 0.000 0.477 265 P HA -0.193 nan 4.420 nan 0.000 0.216 265 P C 0.770 178.085 177.300 0.025 0.000 1.150 265 P CA 1.220 64.322 63.100 0.004 0.000 0.843 265 P CB 0.436 32.133 31.700 -0.004 0.000 0.787 266 E N -0.665 119.558 120.200 0.038 0.000 2.158 266 E HA -0.055 4.295 4.350 0.000 0.000 0.191 266 E C 2.069 178.709 176.600 0.067 0.000 0.982 266 E CA 0.554 56.982 56.400 0.047 0.000 0.823 266 E CB -0.221 29.493 29.700 0.024 0.000 0.766 266 E HN 0.039 nan 8.360 nan 0.000 0.468 267 V N 1.284 121.245 119.914 0.079 0.000 2.453 267 V HA -0.210 3.910 4.120 0.000 0.000 0.247 267 V C 2.194 178.329 176.094 0.068 0.000 1.048 267 V CA 1.224 63.573 62.300 0.082 0.000 1.049 267 V CB -0.297 31.604 31.823 0.130 0.000 0.672 267 V HN 0.269 nan 8.190 nan 0.000 0.457 268 L N 0.088 121.343 121.223 0.054 0.000 2.056 268 L HA -0.119 4.221 4.340 0.000 0.000 0.207 268 L C 2.752 179.610 176.870 -0.020 0.000 1.078 268 L CA 1.482 56.326 54.840 0.005 0.000 0.749 268 L CB -0.815 41.231 42.059 -0.022 0.000 0.901 268 L HN 0.353 nan 8.230 nan 0.000 0.433 269 A N -0.003 122.824 122.820 0.011 0.000 1.877 269 A HA -0.231 4.090 4.320 0.000 0.000 0.216 269 A C 1.956 179.609 177.584 0.115 0.000 1.186 269 A CA 2.039 54.086 52.037 0.016 0.000 0.620 269 A CB -0.515 18.547 19.000 0.103 0.000 0.822 269 A HN 0.345 nan 8.150 nan 0.000 0.443 270 D N -0.455 120.067 120.400 0.203 0.000 2.183 270 D HA -0.034 4.606 4.640 0.000 0.000 0.203 270 D C 2.235 178.624 176.300 0.148 0.000 0.969 270 D CA 1.288 55.454 54.000 0.278 0.000 0.842 270 D CB -0.216 40.727 40.800 0.239 0.000 0.957 270 D HN 0.352 nan 8.370 nan 0.000 0.484 271 S N -0.219 115.518 115.700 0.060 0.000 2.368 271 S HA -0.127 4.343 4.470 0.000 0.000 0.224 271 S C 2.220 176.795 174.600 -0.043 0.000 1.029 271 S CA 0.537 58.745 58.200 0.012 0.000 0.988 271 S CB -0.202 63.001 63.200 0.005 0.000 0.838 271 S HN 0.364 nan 8.310 nan 0.000 0.462 272 C N -0.012 119.225 119.300 -0.105 0.000 2.446 272 C HA -0.050 4.410 4.460 0.000 0.000 0.277 272 C C 2.215 177.029 174.990 -0.293 0.000 1.275 272 C CA 0.082 58.967 59.018 -0.222 0.000 1.727 272 C CB -1.501 26.044 27.740 -0.326 0.000 2.010 272 C HN 0.748 nan 8.230 nan 0.000 0.486 273 W N 0.881 122.031 121.300 -0.249 0.000 2.335 273 W HA -0.158 4.502 4.660 0.000 0.000 0.311 273 W C 2.666 178.661 176.519 -0.873 0.000 1.213 273 W CA 1.226 58.255 57.345 -0.528 0.000 1.274 273 W CB -0.489 28.761 29.460 -0.351 0.000 1.148 273 W HN 0.283 nan 8.180 nan 0.000 0.498 274 A N 0.091 122.808 122.820 -0.171 0.000 1.908 274 A HA -0.222 4.098 4.320 0.000 0.000 0.218 274 A C 1.836 179.388 177.584 -0.054 0.000 1.181 274 A CA 1.780 53.791 52.037 -0.045 0.000 0.627 274 A CB -0.850 18.179 19.000 0.048 0.000 0.818 274 A HN 0.203 nan 8.150 nan 0.000 0.445 275 I N 0.829 121.348 120.570 -0.085 0.000 2.394 275 I HA -0.171 3.999 4.170 0.000 0.000 0.251 275 I C 2.824 178.907 176.117 -0.058 0.000 1.136 275 I CA 1.925 63.194 61.300 -0.052 0.000 1.425 275 I CB -1.315 36.646 38.000 -0.064 0.000 1.079 275 I HN 0.561 nan 8.210 nan 0.000 0.425 276 S N 0.713 116.324 115.700 -0.149 0.000 2.402 276 S HA -0.192 4.278 4.470 0.000 0.000 0.229 276 S C 2.099 176.736 174.600 0.062 0.000 1.021 276 S CA 0.873 59.022 58.200 -0.086 0.000 0.974 276 S CB -0.601 62.502 63.200 -0.161 0.000 0.800 276 S HN 0.349 nan 8.310 nan 0.000 0.484 277 Y N 1.866 122.241 120.300 0.124 0.000 2.263 277 Y HA 0.264 4.814 4.550 0.000 0.000 0.292 277 Y C 2.293 178.226 175.900 0.056 0.000 1.130 277 Y CA -0.071 58.084 58.100 0.091 0.000 1.179 277 Y CB -0.857 37.645 38.460 0.070 0.000 0.998 277 Y HN 0.230 nan 8.280 nan 0.000 0.532 278 L N -0.370 120.964 121.223 0.186 0.000 2.201 278 L HA -0.140 4.200 4.340 0.000 0.000 0.212 278 L C 2.122 179.040 176.870 0.081 0.000 1.105 278 L CA 1.826 56.731 54.840 0.109 0.000 0.775 278 L CB -0.894 41.209 42.059 0.072 0.000 0.913 278 L HN 0.313 nan 8.230 nan 0.000 0.440 279 T N -4.951 109.648 114.554 0.076 0.000 3.129 279 T HA -0.039 4.312 4.350 0.000 0.000 0.251 279 T C 0.684 175.435 174.700 0.084 0.000 1.117 279 T CA -0.175 61.962 62.100 0.061 0.000 1.034 279 T CB -0.214 68.678 68.868 0.040 0.000 0.968 279 T HN -0.003 nan 8.240 nan 0.000 0.526 280 D N 1.482 121.951 120.400 0.114 0.000 2.494 280 D HA 0.547 5.187 4.640 0.000 0.000 0.217 280 D C 0.534 176.887 176.300 0.089 0.000 1.153 280 D CA 0.341 54.416 54.000 0.125 0.000 0.954 280 D CB -0.021 40.877 40.800 0.164 0.000 1.034 280 D HN 0.569 nan 8.370 nan 0.000 0.518 281 G N 2.816 111.659 108.800 0.072 0.000 2.367 281 G HA2 0.168 4.128 3.960 0.000 0.000 0.272 281 G HA3 0.168 4.128 3.960 0.000 0.000 0.272 281 G C -2.783 172.140 174.900 0.038 0.000 1.271 281 G CA -0.871 44.258 45.100 0.050 0.000 0.893 281 G HN 0.275 nan 8.290 nan 0.000 0.485 282 P HA 0.245 nan 4.420 nan 0.000 0.270 282 P C 0.654 177.964 177.300 0.016 0.000 1.223 282 P CA -0.189 62.922 63.100 0.019 0.000 0.785 282 P CB 0.372 32.080 31.700 0.014 0.000 0.923 283 N N 0.413 119.119 118.700 0.009 0.000 2.334 283 N HA -0.209 4.532 4.740 0.000 0.000 0.187 283 N C 1.060 176.573 175.510 0.005 0.000 1.016 283 N CA 0.759 53.812 53.050 0.004 0.000 0.879 283 N CB -0.107 38.379 38.487 -0.002 0.000 0.965 283 N HN 0.519 nan 8.380 nan 0.000 0.438 284 E N 0.559 120.763 120.200 0.007 0.000 2.106 284 E HA -0.036 4.314 4.350 0.000 0.000 0.192 284 E C 1.895 178.501 176.600 0.010 0.000 0.984 284 E CA 0.722 57.126 56.400 0.007 0.000 0.806 284 E CB 0.167 29.871 29.700 0.007 0.000 0.750 284 E HN 0.190 nan 8.360 nan 0.000 0.458 285 R N 0.176 120.685 120.500 0.015 0.000 2.062 285 R HA 0.020 4.361 4.340 0.000 0.000 0.229 285 R C 2.425 178.736 176.300 0.020 0.000 1.128 285 R CA 0.874 56.986 56.100 0.020 0.000 0.960 285 R CB -0.771 29.546 30.300 0.029 0.000 0.855 285 R HN 0.281 nan 8.270 nan 0.000 0.432 286 I N 0.916 121.497 120.570 0.018 0.000 2.208 286 I HA -0.278 3.892 4.170 0.000 0.000 0.245 286 I C 2.415 178.535 176.117 0.006 0.000 1.097 286 I CA 1.401 62.708 61.300 0.013 0.000 1.363 286 I CB -0.265 37.739 38.000 0.007 0.000 1.051 286 I HN 0.118 nan 8.210 nan 0.000 0.413 287 E N 1.458 121.660 120.200 0.004 0.000 2.077 287 E HA -0.237 4.113 4.350 0.000 0.000 0.193 287 E C 2.238 178.840 176.600 0.003 0.000 0.989 287 E CA 1.641 58.041 56.400 0.001 0.000 0.800 287 E CB -0.257 29.443 29.700 -0.000 0.000 0.746 287 E HN 0.493 nan 8.360 nan 0.000 0.452 288 M N -1.243 118.361 119.600 0.007 0.000 2.358 288 M HA -0.077 4.403 4.480 0.000 0.000 0.264 288 M C 1.835 178.140 176.300 0.008 0.000 1.064 288 M CA 1.056 56.361 55.300 0.008 0.000 1.093 288 M CB -0.242 32.364 32.600 0.010 0.000 1.401 288 M HN -0.043 nan 8.290 nan 0.000 0.440 289 V N 0.432 120.352 119.914 0.009 0.000 2.341 289 V HA -0.111 4.010 4.120 0.000 0.000 0.240 289 V C 2.589 178.685 176.094 0.004 0.000 1.035 289 V CA 1.123 63.429 62.300 0.009 0.000 1.033 289 V CB -0.308 31.520 31.823 0.009 0.000 0.678 289 V HN 0.286 nan 8.190 nan 0.000 0.464 290 V N 0.114 120.028 119.914 0.000 0.000 2.380 290 V HA -0.335 3.786 4.120 0.000 0.000 0.251 290 V C 2.390 178.483 176.094 -0.001 0.000 1.063 290 V CA 2.291 64.589 62.300 -0.004 0.000 1.055 290 V CB -0.749 31.069 31.823 -0.009 0.000 0.657 290 V HN 0.491 nan 8.190 nan 0.000 0.455 291 K N -0.262 120.138 120.400 0.000 0.000 2.360 291 K HA -0.112 4.208 4.320 0.000 0.000 0.201 291 K C 1.819 178.420 176.600 0.002 0.000 1.046 291 K CA 0.727 57.014 56.287 0.000 0.000 0.945 291 K CB 0.042 32.542 32.500 0.000 0.000 0.750 291 K HN 0.251 nan 8.250 nan 0.000 0.464 292 K N -0.730 119.673 120.400 0.006 0.000 2.487 292 K HA 0.086 4.406 4.320 0.000 0.000 0.192 292 K C 0.705 177.314 176.600 0.014 0.000 1.027 292 K CA 0.800 57.093 56.287 0.009 0.000 1.054 292 K CB 0.435 32.942 32.500 0.013 0.000 0.824 292 K HN 0.321 nan 8.250 nan 0.000 0.510 293 G N 1.740 110.548 108.800 0.013 0.000 2.198 293 G HA2 -0.271 3.690 3.960 0.000 0.000 0.257 293 G HA3 -0.271 3.690 3.960 0.000 0.000 0.257 293 G C 0.754 175.675 174.900 0.035 0.000 1.042 293 G CA 0.517 45.627 45.100 0.018 0.000 0.791 293 G HN 0.240 nan 8.290 nan 0.000 0.502 294 V N -3.090 116.842 119.914 0.030 0.000 3.235 294 V HA 0.123 4.243 4.120 0.000 0.000 0.259 294 V C 2.426 178.521 176.094 0.002 0.000 1.133 294 V CA 1.405 63.726 62.300 0.035 0.000 1.128 294 V CB -0.127 31.710 31.823 0.023 0.000 0.757 294 V HN 0.314 nan 8.190 nan 0.000 0.469 295 V N 1.202 121.112 119.914 -0.005 0.000 2.250 295 V HA -0.192 3.928 4.120 0.000 0.000 0.250 295 V C 0.585 176.665 176.094 -0.022 0.000 1.060 295 V CA 3.167 65.455 62.300 -0.019 0.000 1.030 295 V CB -1.976 29.836 31.823 -0.019 0.000 0.643 295 V HN 0.518 nan 8.190 nan 0.000 0.445 296 P HA -0.202 nan 4.420 nan 0.000 0.215 296 P C 1.740 179.022 177.300 -0.031 0.000 1.153 296 P CA 1.575 64.668 63.100 -0.011 0.000 0.853 296 P CB -0.031 31.674 31.700 0.009 0.000 0.788 297 Q N -0.411 119.364 119.800 -0.041 0.000 2.119 297 Q HA -0.088 4.252 4.340 0.000 0.000 0.201 297 Q C 2.001 177.928 176.000 -0.122 0.000 0.972 297 Q CA 1.379 57.109 55.803 -0.121 0.000 0.847 297 Q CB -1.161 27.443 28.738 -0.223 0.000 0.903 297 Q HN 0.170 nan 8.270 nan 0.000 0.433 298 L N -0.908 120.261 121.223 -0.090 0.000 2.093 298 L HA -0.143 4.197 4.340 0.000 0.000 0.208 298 L C 2.201 179.020 176.870 -0.086 0.000 1.085 298 L CA 0.814 55.598 54.840 -0.094 0.000 0.755 298 L CB -0.438 41.575 42.059 -0.076 0.000 0.904 298 L HN 0.122 nan 8.230 nan 0.000 0.435 299 V N 0.175 120.051 119.914 -0.063 0.000 2.407 299 V HA -0.308 3.812 4.120 0.000 0.000 0.248 299 V C 2.554 178.611 176.094 -0.062 0.000 1.055 299 V CA 1.924 64.195 62.300 -0.050 0.000 1.049 299 V CB -0.537 31.268 31.823 -0.029 0.000 0.662 299 V HN 0.460 nan 8.190 nan 0.000 0.455 300 K N 0.179 120.538 120.400 -0.069 0.000 2.026 300 K HA -0.148 4.172 4.320 0.000 0.000 0.208 300 K C 2.064 178.611 176.600 -0.088 0.000 1.048 300 K CA 1.607 57.850 56.287 -0.072 0.000 0.929 300 K CB -0.234 32.219 32.500 -0.079 0.000 0.713 300 K HN 0.412 nan 8.250 nan 0.000 0.439 301 L N 1.019 122.178 121.223 -0.107 0.000 2.275 301 L HA -0.125 4.215 4.340 0.000 0.000 0.215 301 L C 2.330 179.129 176.870 -0.119 0.000 1.119 301 L CA 0.118 54.889 54.840 -0.116 0.000 0.790 301 L CB -0.316 41.661 42.059 -0.135 0.000 0.919 301 L HN 0.228 nan 8.230 nan 0.000 0.443 302 L N 0.176 121.330 121.223 -0.116 0.000 2.191 302 L HA -0.051 4.289 4.340 0.000 0.000 0.212 302 L C 2.041 178.835 176.870 -0.128 0.000 1.103 302 L CA 1.575 56.337 54.840 -0.130 0.000 0.769 302 L CB -0.573 41.416 42.059 -0.117 0.000 0.908 302 L HN 0.125 nan 8.230 nan 0.000 0.438 303 G N -1.354 107.386 108.800 -0.101 0.000 3.189 303 G HA2 0.339 4.299 3.960 0.000 0.000 0.225 303 G HA3 0.339 4.299 3.960 0.000 0.000 0.225 303 G C 0.679 175.532 174.900 -0.078 0.000 1.159 303 G CA 0.272 45.319 45.100 -0.089 0.000 0.763 303 G HN 0.549 nan 8.290 nan 0.000 0.549 304 A N -0.107 122.663 122.820 -0.084 0.000 2.475 304 A HA 0.443 4.763 4.320 0.000 0.000 0.239 304 A C 1.694 179.240 177.584 -0.064 0.000 1.087 304 A CA 0.848 52.841 52.037 -0.072 0.000 0.779 304 A CB 0.314 19.267 19.000 -0.079 0.000 1.036 304 A HN 0.186 nan 8.150 nan 0.000 0.506 305 T N 0.514 115.038 114.554 -0.050 0.000 2.894 305 T HA 0.032 4.382 4.350 0.000 0.000 0.258 305 T C 0.337 175.014 174.700 -0.038 0.000 1.043 305 T CA 1.250 63.326 62.100 -0.041 0.000 1.141 305 T CB -0.295 68.554 68.868 -0.031 0.000 0.873 305 T HN 0.731 nan 8.240 nan 0.000 0.449 306 E N 1.724 121.901 120.200 -0.038 0.000 2.328 306 E HA 0.195 4.545 4.350 0.000 0.000 0.265 306 E C 0.781 177.359 176.600 -0.038 0.000 1.057 306 E CA -0.215 56.167 56.400 -0.030 0.000 0.916 306 E CB 0.601 30.285 29.700 -0.026 0.000 0.993 306 E HN 0.057 nan 8.360 nan 0.000 0.446 307 L N 6.731 127.939 121.223 -0.025 0.000 2.079 307 L HA -0.099 4.241 4.340 0.000 0.000 0.210 307 L C -1.012 175.846 176.870 -0.021 0.000 1.081 307 L CA 1.807 56.632 54.840 -0.026 0.000 0.752 307 L CB -0.553 41.503 42.059 -0.006 0.000 0.896 307 L HN 0.539 nan 8.230 nan 0.000 0.433 308 P HA -0.106 nan 4.420 nan 0.000 0.225 308 P C 1.600 178.880 177.300 -0.034 0.000 1.148 308 P CA 1.458 64.583 63.100 0.042 0.000 0.779 308 P CB 0.055 31.796 31.700 0.069 0.000 0.780 309 I N -2.133 118.390 120.570 -0.079 0.000 2.729 309 I HA -0.081 4.089 4.170 0.000 0.000 0.256 309 I C 2.086 178.086 176.117 -0.195 0.000 1.115 309 I CA 0.524 61.741 61.300 -0.139 0.000 1.446 309 I CB -0.538 37.402 38.000 -0.099 0.000 1.176 309 I HN -0.265 nan 8.210 nan 0.000 0.446 310 V N 1.008 120.831 119.914 -0.150 0.000 2.332 310 V HA -0.293 3.827 4.120 0.000 0.000 0.248 310 V C 2.535 178.509 176.094 -0.200 0.000 1.055 310 V CA 2.519 64.722 62.300 -0.162 0.000 1.038 310 V CB -1.086 30.662 31.823 -0.126 0.000 0.651 310 V HN 0.459 nan 8.190 nan 0.000 0.450 311 T N 0.920 115.359 114.554 -0.191 0.000 2.652 311 T HA -0.118 4.232 4.350 0.000 0.000 0.267 311 T C 0.088 174.523 174.700 -0.441 0.000 1.039 311 T CA 2.228 64.202 62.100 -0.210 0.000 1.153 311 T CB -1.322 67.498 68.868 -0.080 0.000 0.863 311 T HN 0.523 nan 8.240 nan 0.000 0.428 312 P HA 0.126 nan 4.420 nan 0.000 0.222 312 P C 1.285 178.216 177.300 -0.614 0.000 1.153 312 P CA 1.050 63.403 63.100 -1.246 0.000 0.798 312 P CB -0.122 30.407 31.700 -1.952 0.000 0.796 313 A N 0.114 122.682 122.820 -0.420 0.000 1.929 313 A HA -0.107 4.213 4.320 0.000 0.000 0.216 313 A C 2.125 179.597 177.584 -0.186 0.000 1.176 313 A CA 1.204 53.084 52.037 -0.262 0.000 0.628 313 A CB -1.491 17.381 19.000 -0.213 0.000 0.816 313 A HN 0.189 nan 8.150 nan 0.000 0.444 314 L N -0.576 120.538 121.223 -0.181 0.000 2.240 314 L HA 0.081 4.421 4.340 0.000 0.000 0.211 314 L C 2.201 179.061 176.870 -0.017 0.000 1.106 314 L CA 1.900 56.678 54.840 -0.103 0.000 0.793 314 L CB -0.561 41.428 42.059 -0.116 0.000 0.927 314 L HN 0.364 nan 8.230 nan 0.000 0.446 315 R N 0.057 120.519 120.500 -0.064 0.000 2.073 315 R HA 0.031 4.371 4.340 0.000 0.000 0.229 315 R C 2.149 178.487 176.300 0.063 0.000 1.120 315 R CA 1.523 57.653 56.100 0.051 0.000 0.967 315 R CB -0.644 29.626 30.300 -0.049 0.000 0.862 315 R HN 0.419 nan 8.270 nan 0.000 0.436 316 A N 0.899 123.687 122.820 -0.053 0.000 1.873 316 A HA -0.082 4.238 4.320 0.000 0.000 0.215 316 A C 2.066 179.639 177.584 -0.017 0.000 1.186 316 A CA 1.426 53.440 52.037 -0.039 0.000 0.616 316 A CB -0.526 18.416 19.000 -0.096 0.000 0.823 316 A HN 0.291 nan 8.150 nan 0.000 0.442 317 I N 0.133 120.684 120.570 -0.032 0.000 2.286 317 I HA -0.198 3.972 4.170 0.000 0.000 0.248 317 I C 2.622 178.704 176.117 -0.058 0.000 1.115 317 I CA 1.596 62.878 61.300 -0.031 0.000 1.392 317 I CB -1.859 36.138 38.000 -0.005 0.000 1.065 317 I HN 0.377 nan 8.210 nan 0.000 0.418 318 G N 0.747 109.523 108.800 -0.041 0.000 2.422 318 G HA2 -0.233 3.727 3.960 0.000 0.000 0.218 318 G HA3 -0.233 3.727 3.960 0.000 0.000 0.218 318 G C 1.519 176.253 174.900 -0.277 0.000 1.140 318 G CA 0.396 45.340 45.100 -0.259 0.000 0.775 318 G HN 0.317 nan 8.290 nan 0.000 0.545 319 N N 0.694 119.417 118.700 0.038 0.000 2.106 319 N HA -0.006 4.734 4.740 0.000 0.000 0.188 319 N C 2.241 177.748 175.510 -0.005 0.000 1.029 319 N CA 0.619 53.730 53.050 0.101 0.000 0.848 319 N CB -0.288 38.281 38.487 0.136 0.000 1.007 319 N HN 0.319 nan 8.380 nan 0.000 0.423 320 I N 0.926 121.478 120.570 -0.030 0.000 2.264 320 I HA -0.204 3.966 4.170 0.000 0.000 0.248 320 I C 1.848 177.917 176.117 -0.079 0.000 1.111 320 I CA 0.909 62.182 61.300 -0.044 0.000 1.382 320 I CB -0.261 37.714 38.000 -0.042 0.000 1.060 320 I HN 0.014 nan 8.210 nan 0.000 0.418 321 V N -1.768 118.065 119.914 -0.135 0.000 3.510 321 V HA -0.052 4.068 4.120 0.000 0.000 0.270 321 V C 1.922 177.912 176.094 -0.173 0.000 1.201 321 V CA 1.464 63.665 62.300 -0.166 0.000 1.166 321 V CB -1.572 30.116 31.823 -0.224 0.000 0.825 321 V HN 0.564 nan 8.190 nan 0.000 0.484 322 T N -2.985 111.484 114.554 -0.142 0.000 3.107 322 T HA 0.389 4.739 4.350 0.000 0.000 0.249 322 T C 1.143 175.812 174.700 -0.053 0.000 1.096 322 T CA 0.508 62.549 62.100 -0.099 0.000 1.012 322 T CB 0.068 68.919 68.868 -0.029 0.000 0.977 322 T HN 0.660 nan 8.240 nan 0.000 0.527 323 G N 1.995 110.764 108.800 -0.052 0.000 2.666 323 G HA2 0.451 4.411 3.960 0.000 0.000 0.207 323 G HA3 0.451 4.411 3.960 0.000 0.000 0.207 323 G C 0.271 175.148 174.900 -0.038 0.000 1.481 323 G CA -0.018 45.062 45.100 -0.033 0.000 1.071 323 G HN 0.565 nan 8.290 nan 0.000 0.572 324 T N -1.783 112.753 114.554 -0.031 0.000 2.813 324 T HA 0.187 4.537 4.350 0.000 0.000 0.297 324 T C 0.613 175.289 174.700 -0.040 0.000 1.036 324 T CA 0.158 62.240 62.100 -0.030 0.000 1.044 324 T CB 1.012 69.866 68.868 -0.023 0.000 0.993 324 T HN 0.244 nan 8.240 nan 0.000 0.535 325 D N 0.494 120.871 120.400 -0.038 0.000 2.219 325 D HA -0.042 4.598 4.640 0.000 0.000 0.205 325 D C 1.898 178.173 176.300 -0.042 0.000 0.970 325 D CA 0.999 54.973 54.000 -0.044 0.000 0.851 325 D CB -0.112 40.664 40.800 -0.039 0.000 0.943 325 D HN 0.682 nan 8.370 nan 0.000 0.488 326 E N 0.516 120.696 120.200 -0.034 0.000 2.106 326 E HA -0.102 4.248 4.350 0.000 0.000 0.192 326 E C 2.091 178.672 176.600 -0.032 0.000 0.984 326 E CA 0.739 57.122 56.400 -0.030 0.000 0.806 326 E CB -0.094 29.593 29.700 -0.023 0.000 0.750 326 E HN 0.341 nan 8.360 nan 0.000 0.458 327 Q N -0.483 119.296 119.800 -0.034 0.000 2.123 327 Q HA -0.051 4.289 4.340 0.000 0.000 0.199 327 Q C 2.015 177.985 176.000 -0.049 0.000 0.966 327 Q CA 1.558 57.339 55.803 -0.036 0.000 0.845 327 Q CB 0.044 28.763 28.738 -0.033 0.000 0.907 327 Q HN 0.210 nan 8.270 nan 0.000 0.439 328 T N 0.606 115.124 114.554 -0.060 0.000 2.788 328 T HA -0.199 4.151 4.350 0.000 0.000 0.268 328 T C 1.695 176.351 174.700 -0.075 0.000 1.044 328 T CA 1.426 63.479 62.100 -0.080 0.000 1.139 328 T CB -0.159 68.655 68.868 -0.090 0.000 0.867 328 T HN 0.160 nan 8.240 nan 0.000 0.454 329 Q N 1.163 120.927 119.800 -0.059 0.000 2.226 329 Q HA -0.047 4.293 4.340 0.000 0.000 0.204 329 Q C 2.087 178.060 176.000 -0.045 0.000 0.975 329 Q CA 1.395 57.167 55.803 -0.051 0.000 0.866 329 Q CB -0.127 28.587 28.738 -0.039 0.000 0.915 329 Q HN 0.317 nan 8.270 nan 0.000 0.440 330 K N -0.445 119.930 120.400 -0.042 0.000 2.097 330 K HA -0.089 4.231 4.320 0.000 0.000 0.205 330 K C 2.013 178.590 176.600 -0.038 0.000 1.050 330 K CA 1.470 57.737 56.287 -0.034 0.000 0.938 330 K CB -0.523 31.960 32.500 -0.028 0.000 0.718 330 K HN 0.364 nan 8.250 nan 0.000 0.442 331 V N -0.363 119.521 119.914 -0.051 0.000 2.548 331 V HA -0.121 3.999 4.120 0.000 0.000 0.249 331 V C 1.984 178.037 176.094 -0.069 0.000 1.055 331 V CA 1.071 63.339 62.300 -0.055 0.000 1.065 331 V CB -0.391 31.394 31.823 -0.063 0.000 0.681 331 V HN 0.131 nan 8.190 nan 0.000 0.462 332 I N 0.784 121.305 120.570 -0.083 0.000 2.202 332 I HA -0.147 4.024 4.170 0.000 0.000 0.242 332 I C 2.413 178.500 176.117 -0.049 0.000 1.091 332 I CA 2.005 63.249 61.300 -0.093 0.000 1.368 332 I CB -0.510 37.440 38.000 -0.084 0.000 1.058 332 I HN 0.290 nan 8.210 nan 0.000 0.410 333 D N 1.018 121.399 120.400 -0.031 0.000 2.218 333 D HA -0.118 4.522 4.640 0.000 0.000 0.204 333 D C 2.123 178.418 176.300 -0.009 0.000 0.976 333 D CA 1.321 55.314 54.000 -0.012 0.000 0.853 333 D CB -0.063 40.729 40.800 -0.013 0.000 0.939 333 D HN 0.349 nan 8.370 nan 0.000 0.481 334 A N -0.102 122.707 122.820 -0.019 0.000 2.168 334 A HA 0.282 4.602 4.320 0.000 0.000 0.215 334 A C 1.816 179.394 177.584 -0.010 0.000 1.152 334 A CA 1.385 53.414 52.037 -0.014 0.000 0.716 334 A CB -0.198 18.791 19.000 -0.019 0.000 0.794 334 A HN 0.283 nan 8.150 nan 0.000 0.465 335 G N -2.373 106.417 108.800 -0.016 0.000 2.144 335 G HA2 -0.002 3.958 3.960 0.000 0.000 0.218 335 G HA3 -0.002 3.958 3.960 0.000 0.000 0.218 335 G C 1.115 175.992 174.900 -0.038 0.000 0.988 335 G CA 0.940 46.034 45.100 -0.010 0.000 0.659 335 G HN 1.332 nan 8.290 nan 0.000 0.522 336 A N 0.150 122.942 122.820 -0.047 0.000 1.917 336 A HA 0.052 4.372 4.320 0.000 0.000 0.219 336 A C 2.472 180.077 177.584 0.034 0.000 1.182 336 A CA 1.962 54.007 52.037 0.013 0.000 0.633 336 A CB -0.393 18.617 19.000 0.017 0.000 0.819 336 A HN 0.948 nan 8.150 nan 0.000 0.448 337 L N -0.942 120.131 121.223 -0.249 0.000 2.127 337 L HA -0.242 4.098 4.340 0.000 0.000 0.211 337 L C 2.981 179.721 176.870 -0.216 0.000 1.089 337 L CA 1.019 55.592 54.840 -0.445 0.000 0.757 337 L CB -0.618 40.867 42.059 -0.956 0.000 0.899 337 L HN 0.474 nan 8.230 nan 0.000 0.434 338 A N -0.456 122.272 122.820 -0.153 0.000 2.125 338 A HA -0.084 4.236 4.320 0.000 0.000 0.219 338 A C 2.077 179.683 177.584 0.037 0.000 1.156 338 A CA 1.399 53.463 52.037 0.045 0.000 0.671 338 A CB -0.458 18.597 19.000 0.092 0.000 0.794 338 A HN 0.296 nan 8.150 nan 0.000 0.459 339 V N -2.193 117.754 119.914 0.055 0.000 3.506 339 V HA 0.009 4.129 4.120 0.000 0.000 0.263 339 V C 1.796 177.816 176.094 -0.123 0.000 1.203 339 V CA 0.514 62.795 62.300 -0.032 0.000 1.133 339 V CB -0.964 30.813 31.823 -0.075 0.000 0.802 339 V HN 0.478 nan 8.190 nan 0.000 0.459 340 F N 0.850 120.678 119.950 -0.202 0.000 2.293 340 F HA 0.037 4.564 4.527 0.000 0.000 0.300 340 F C -0.062 175.479 175.800 -0.432 0.000 1.086 340 F CA 0.792 58.643 58.000 -0.249 0.000 1.375 340 F CB -1.794 37.078 39.000 -0.213 0.000 1.045 340 F HN 0.304 nan 8.300 nan 0.000 0.516 341 P HA -0.138 nan 4.420 nan 0.000 0.218 341 P C 1.861 178.834 177.300 -0.546 0.000 1.148 341 P CA 1.653 64.092 63.100 -1.102 0.000 0.822 341 P CB 0.031 31.333 31.700 -0.662 0.000 0.784 342 S N -1.079 114.454 115.700 -0.279 0.000 2.345 342 S HA -0.020 4.450 4.470 0.000 0.000 0.219 342 S C 1.750 176.248 174.600 -0.170 0.000 1.031 342 S CA 0.878 58.983 58.200 -0.158 0.000 0.984 342 S CB -1.014 62.109 63.200 -0.128 0.000 0.874 342 S HN 0.045 nan 8.310 nan 0.000 0.451 343 L N 1.217 122.281 121.223 -0.265 0.000 2.079 343 L HA -0.092 4.248 4.340 0.000 0.000 0.210 343 L C 1.979 178.745 176.870 -0.173 0.000 1.081 343 L CA 1.059 55.726 54.840 -0.287 0.000 0.752 343 L CB -0.584 41.128 42.059 -0.578 0.000 0.896 343 L HN 0.290 nan 8.230 nan 0.000 0.433 344 L N -0.456 120.680 121.223 -0.145 0.000 2.551 344 L HA -0.064 4.276 4.340 0.000 0.000 0.228 344 L C 1.638 178.554 176.870 0.078 0.000 1.153 344 L CA 1.017 55.859 54.840 0.003 0.000 0.851 344 L CB -0.538 41.557 42.059 0.061 0.000 0.959 344 L HN 0.436 nan 8.230 nan 0.000 0.451 345 T N -6.050 108.532 114.554 0.047 0.000 3.111 345 T HA 0.089 4.440 4.350 0.000 0.000 0.284 345 T C 0.509 175.231 174.700 0.037 0.000 0.983 345 T CA -0.491 61.664 62.100 0.091 0.000 0.900 345 T CB -0.335 68.629 68.868 0.160 0.000 1.132 345 T HN 0.056 nan 8.240 nan 0.000 0.531 346 N N 3.104 121.801 118.700 -0.004 0.000 2.356 346 N HA 0.093 4.833 4.740 0.000 0.000 0.252 346 N C -1.650 173.862 175.510 0.003 0.000 1.241 346 N CA -1.042 51.998 53.050 -0.017 0.000 0.861 346 N CB 0.936 39.394 38.487 -0.049 0.000 1.075 346 N HN -0.049 nan 8.380 nan 0.000 0.461 347 P HA -0.137 nan 4.420 nan 0.000 0.218 347 P C -0.569 176.739 177.300 0.013 0.000 1.149 347 P CA 1.162 64.269 63.100 0.012 0.000 0.817 347 P CB 0.162 31.868 31.700 0.010 0.000 0.785 348 K N 0.731 121.135 120.400 0.006 0.000 2.349 348 K HA 0.075 4.396 4.320 0.000 0.000 0.289 348 K C 1.211 177.820 176.600 0.015 0.000 1.064 348 K CA 0.285 56.579 56.287 0.011 0.000 0.947 348 K CB -0.253 32.251 32.500 0.006 0.000 1.007 348 K HN -0.038 nan 8.250 nan 0.000 0.478 349 T N 2.158 116.726 114.554 0.024 0.000 2.803 349 T HA -0.144 4.206 4.350 0.000 0.000 0.269 349 T C 1.152 175.871 174.700 0.031 0.000 1.052 349 T CA 1.533 63.651 62.100 0.031 0.000 1.136 349 T CB -0.260 68.631 68.868 0.038 0.000 0.864 349 T HN 0.613 nan 8.240 nan 0.000 0.467 350 N N 1.106 119.823 118.700 0.029 0.000 2.270 350 N HA 0.083 4.823 4.740 0.000 0.000 0.181 350 N C 1.859 177.384 175.510 0.026 0.000 1.016 350 N CA 0.845 53.913 53.050 0.031 0.000 0.870 350 N CB -0.291 38.219 38.487 0.038 0.000 0.979 350 N HN 0.382 nan 8.380 nan 0.000 0.431 351 I N 1.293 121.868 120.570 0.009 0.000 2.315 351 I HA -0.190 3.980 4.170 0.000 0.000 0.248 351 I C 2.276 178.383 176.117 -0.016 0.000 1.117 351 I CA 1.027 62.315 61.300 -0.019 0.000 1.404 351 I CB -0.795 37.177 38.000 -0.047 0.000 1.071 351 I HN 0.261 nan 8.210 nan 0.000 0.419 352 Q N 0.652 120.453 119.800 0.002 0.000 2.079 352 Q HA -0.220 4.120 4.340 0.000 0.000 0.200 352 Q C 2.358 178.393 176.000 0.059 0.000 0.974 352 Q CA 1.422 57.237 55.803 0.019 0.000 0.840 352 Q CB 0.068 28.824 28.738 0.030 0.000 0.898 352 Q HN 0.283 nan 8.270 nan 0.000 0.430 353 K N 0.459 120.897 120.400 0.063 0.000 2.026 353 K HA -0.179 4.141 4.320 0.000 0.000 0.208 353 K C 1.667 178.358 176.600 0.153 0.000 1.048 353 K CA 1.318 57.657 56.287 0.086 0.000 0.929 353 K CB 0.066 32.597 32.500 0.051 0.000 0.713 353 K HN 0.236 nan 8.250 nan 0.000 0.439 354 E N 0.043 120.330 120.200 0.146 0.000 2.150 354 E HA -0.140 4.210 4.350 0.000 0.000 0.193 354 E C 1.910 178.701 176.600 0.319 0.000 0.985 354 E CA 0.921 57.488 56.400 0.279 0.000 0.814 354 E CB -0.016 29.798 29.700 0.189 0.000 0.752 354 E HN 0.391 nan 8.360 nan 0.000 0.466 355 A N 0.974 123.886 122.820 0.153 0.000 1.930 355 A HA -0.113 4.208 4.320 0.000 0.000 0.217 355 A C 2.375 180.130 177.584 0.284 0.000 1.175 355 A CA 1.634 53.748 52.037 0.128 0.000 0.627 355 A CB -0.616 18.318 19.000 -0.110 0.000 0.815 355 A HN 0.153 nan 8.150 nan 0.000 0.443 356 T N -1.598 113.091 114.554 0.225 0.000 2.904 356 T HA -0.147 4.203 4.350 0.000 0.000 0.267 356 T C 1.467 176.308 174.700 0.235 0.000 1.059 356 T CA 1.310 63.537 62.100 0.212 0.000 1.137 356 T CB -0.297 68.671 68.868 0.166 0.000 0.879 356 T HN 0.791 nan 8.240 nan 0.000 0.467 357 W N 2.289 123.635 121.300 0.077 0.000 2.381 357 W HA -0.127 4.534 4.660 0.000 0.000 0.301 357 W C 2.028 178.577 176.519 0.050 0.000 1.205 357 W CA 1.344 58.717 57.345 0.047 0.000 1.285 357 W CB -0.942 28.530 29.460 0.020 0.000 1.133 357 W HN 0.059 nan 8.180 nan 0.000 0.521 358 T N 1.674 116.128 114.554 -0.166 0.000 2.746 358 T HA -0.248 4.103 4.350 0.000 0.000 0.267 358 T C 1.881 176.441 174.700 -0.233 0.000 1.039 358 T CA 2.051 63.926 62.100 -0.376 0.000 1.142 358 T CB -0.438 68.423 68.868 -0.012 0.000 0.866 358 T HN 0.028 nan 8.240 nan 0.000 0.444 359 M N 1.939 121.510 119.600 -0.049 0.000 2.080 359 M HA -0.099 4.381 4.480 0.000 0.000 0.260 359 M C 2.781 179.038 176.300 -0.073 0.000 1.068 359 M CA 1.841 57.084 55.300 -0.093 0.000 1.109 359 M CB -1.704 30.914 32.600 0.030 0.000 1.342 359 M HN 0.447 nan 8.290 nan 0.000 0.405 360 S N 0.226 115.914 115.700 -0.019 0.000 2.419 360 S HA -0.148 4.323 4.470 0.000 0.000 0.235 360 S C 1.581 176.148 174.600 -0.056 0.000 1.019 360 S CA 1.462 59.678 58.200 0.028 0.000 0.982 360 S CB -0.483 62.789 63.200 0.120 0.000 0.789 360 S HN 0.467 nan 8.310 nan 0.000 0.490 361 N N 0.729 119.311 118.700 -0.198 0.000 2.422 361 N HA 0.309 5.049 4.740 0.000 0.000 0.181 361 N C 1.361 176.770 175.510 -0.169 0.000 1.080 361 N CA 0.535 53.454 53.050 -0.218 0.000 0.893 361 N CB -0.084 38.175 38.487 -0.379 0.000 0.973 361 N HN 0.512 nan 8.380 nan 0.000 0.456 362 I N 0.296 120.768 120.570 -0.164 0.000 2.867 362 I HA -0.101 4.069 4.170 0.000 0.000 0.265 362 I C 1.821 177.889 176.117 -0.082 0.000 1.162 362 I CA 0.876 62.087 61.300 -0.148 0.000 1.471 362 I CB -0.041 37.833 38.000 -0.211 0.000 1.123 362 I HN 0.074 nan 8.210 nan 0.000 0.440 363 T N -1.390 113.145 114.554 -0.031 0.000 3.160 363 T HA 0.159 4.510 4.350 0.000 0.000 0.257 363 T C 1.435 176.143 174.700 0.014 0.000 1.147 363 T CA 0.605 62.726 62.100 0.035 0.000 1.064 363 T CB 0.022 68.991 68.868 0.168 0.000 0.949 363 T HN 0.251 nan 8.240 nan 0.000 0.526 364 A N 0.562 123.376 122.820 -0.010 0.000 2.308 364 A HA 0.687 5.007 4.320 0.000 0.000 0.217 364 A C 1.373 178.938 177.584 -0.032 0.000 1.216 364 A CA 0.000 52.034 52.037 -0.005 0.000 0.864 364 A CB -0.502 18.493 19.000 -0.009 0.000 0.902 364 A HN 0.605 nan 8.150 nan 0.000 0.499 365 G N -0.351 108.418 108.800 -0.051 0.000 2.574 365 G HA2 0.447 4.408 3.960 0.000 0.000 0.248 365 G HA3 0.447 4.408 3.960 0.000 0.000 0.248 365 G C 0.121 174.986 174.900 -0.058 0.000 1.422 365 G CA -0.968 44.099 45.100 -0.057 0.000 1.051 365 G HN 0.486 nan 8.290 nan 0.000 0.560 366 R N -0.635 119.830 120.500 -0.057 0.000 2.863 366 R HA 0.090 4.431 4.340 0.000 0.000 0.273 366 R C 1.576 177.830 176.300 -0.076 0.000 1.057 366 R CA 0.016 56.081 56.100 -0.058 0.000 1.191 366 R CB 0.433 30.704 30.300 -0.049 0.000 1.104 366 R HN 0.569 nan 8.270 nan 0.000 0.519 367 Q N 0.799 120.551 119.800 -0.079 0.000 2.167 367 Q HA -0.166 4.174 4.340 0.000 0.000 0.202 367 Q C 1.498 177.446 176.000 -0.087 0.000 0.970 367 Q CA 1.641 57.383 55.803 -0.102 0.000 0.855 367 Q CB 0.013 28.696 28.738 -0.091 0.000 0.911 367 Q HN 0.683 nan 8.270 nan 0.000 0.438 368 D N 0.067 120.429 120.400 -0.063 0.000 2.310 368 D HA -0.199 4.441 4.640 0.000 0.000 0.212 368 D C 1.380 177.653 176.300 -0.045 0.000 0.965 368 D CA 0.932 54.902 54.000 -0.050 0.000 0.879 368 D CB 0.043 40.819 40.800 -0.040 0.000 0.921 368 D HN 0.356 nan 8.370 nan 0.000 0.510 369 Q N -0.081 119.686 119.800 -0.054 0.000 2.250 369 Q HA 0.149 4.490 4.340 0.000 0.000 0.200 369 Q C 2.559 178.529 176.000 -0.050 0.000 0.941 369 Q CA 0.227 55.998 55.803 -0.052 0.000 0.872 369 Q CB 0.410 29.110 28.738 -0.063 0.000 0.965 369 Q HN 0.337 nan 8.270 nan 0.000 0.480 370 I N 0.830 121.356 120.570 -0.074 0.000 2.493 370 I HA -0.234 3.937 4.170 0.000 0.000 0.254 370 I C 2.423 178.525 176.117 -0.025 0.000 1.160 370 I CA 0.746 61.996 61.300 -0.083 0.000 1.445 370 I CB -0.043 37.803 38.000 -0.256 0.000 1.086 370 I HN 0.240 nan 8.210 nan 0.000 0.433 371 Q N 0.461 120.236 119.800 -0.041 0.000 2.079 371 Q HA -0.191 4.149 4.340 0.000 0.000 0.200 371 Q C 2.212 178.222 176.000 0.016 0.000 0.974 371 Q CA 1.364 57.153 55.803 -0.023 0.000 0.840 371 Q CB -0.171 28.541 28.738 -0.044 0.000 0.898 371 Q HN 0.506 nan 8.270 nan 0.000 0.430 372 Q N -0.242 119.576 119.800 0.030 0.000 2.135 372 Q HA -0.105 4.236 4.340 0.000 0.000 0.204 372 Q C 2.218 178.330 176.000 0.187 0.000 0.981 372 Q CA 1.057 56.922 55.803 0.104 0.000 0.856 372 Q CB -0.327 28.455 28.738 0.073 0.000 0.902 372 Q HN 0.225 nan 8.270 nan 0.000 0.425 373 V N 0.251 120.225 119.914 0.100 0.000 2.343 373 V HA -0.200 3.920 4.120 0.000 0.000 0.247 373 V C 2.467 178.673 176.094 0.186 0.000 1.051 373 V CA 1.257 63.623 62.300 0.111 0.000 1.036 373 V CB -0.537 31.349 31.823 0.106 0.000 0.654 373 V HN 0.099 nan 8.190 nan 0.000 0.451 374 V N 0.814 120.833 119.914 0.175 0.000 2.295 374 V HA -0.289 3.831 4.120 0.000 0.000 0.246 374 V C 2.071 178.201 176.094 0.061 0.000 1.049 374 V CA 2.580 64.972 62.300 0.154 0.000 1.024 374 V CB -1.008 30.833 31.823 0.029 0.000 0.648 374 V HN 0.669 nan 8.190 nan 0.000 0.447 375 N N -0.607 118.100 118.700 0.012 0.000 2.223 375 N HA -0.187 4.553 4.740 0.000 0.000 0.185 375 N C 1.498 176.959 175.510 -0.082 0.000 1.016 375 N CA 1.172 54.180 53.050 -0.070 0.000 0.863 375 N CB -0.224 38.185 38.487 -0.130 0.000 0.983 375 N HN 0.594 nan 8.380 nan 0.000 0.429 376 H N -0.454 118.638 119.070 0.037 0.000 2.553 376 H HA 0.180 4.736 4.556 0.000 0.000 0.269 376 H C 1.096 176.494 175.328 0.116 0.000 1.011 376 H CA 0.397 56.478 56.048 0.054 0.000 1.150 376 H CB -0.088 29.687 29.762 0.022 0.000 1.339 376 H HN 0.273 nan 8.280 nan 0.000 0.604 377 G N 0.772 109.704 108.800 0.220 0.000 2.249 377 G HA2 -0.303 3.657 3.960 0.000 0.000 0.273 377 G HA3 -0.303 3.657 3.960 0.000 0.000 0.273 377 G C 0.862 175.985 174.900 0.372 0.000 1.036 377 G CA 0.562 45.823 45.100 0.269 0.000 0.824 377 G HN 0.475 nan 8.290 nan 0.000 0.504 378 L N -0.713 120.706 121.223 0.326 0.000 2.418 378 L HA 0.036 4.376 4.340 0.000 0.000 0.218 378 L C 2.758 179.795 176.870 0.279 0.000 1.125 378 L CA 0.449 55.492 54.840 0.338 0.000 0.835 378 L CB -0.205 41.954 42.059 0.167 0.000 0.953 378 L HN 0.265 nan 8.230 nan 0.000 0.454 379 V N 0.829 120.872 119.914 0.215 0.000 2.343 379 V HA -0.157 3.963 4.120 0.000 0.000 0.247 379 V C -0.215 175.875 176.094 -0.007 0.000 1.051 379 V CA 1.924 64.260 62.300 0.061 0.000 1.036 379 V CB -1.458 30.380 31.823 0.025 0.000 0.654 379 V HN 0.356 nan 8.190 nan 0.000 0.451 380 P HA -0.105 nan 4.420 nan 0.000 0.220 380 P C 1.486 178.694 177.300 -0.154 0.000 1.148 380 P CA 1.355 64.381 63.100 -0.124 0.000 0.803 380 P CB -0.103 31.499 31.700 -0.164 0.000 0.782 381 F N -1.143 118.815 119.950 0.014 0.000 2.259 381 F HA -0.020 4.507 4.527 0.001 0.000 0.298 381 F C 2.173 177.982 175.800 0.016 0.000 1.088 381 F CA 1.043 59.060 58.000 0.028 0.000 1.358 381 F CB -0.859 38.179 39.000 0.064 0.000 1.040 381 F HN -0.196 nan 8.300 nan 0.000 0.505 382 L N -1.222 120.099 121.223 0.162 0.000 2.109 382 L HA -0.144 4.196 4.340 0.000 0.000 0.207 382 L C 2.283 179.155 176.870 0.005 0.000 1.086 382 L CA 0.484 55.369 54.840 0.074 0.000 0.760 382 L CB -0.592 41.478 42.059 0.019 0.000 0.910 382 L HN -0.068 nan 8.230 nan 0.000 0.437 383 V N 0.152 120.041 119.914 -0.043 0.000 2.515 383 V HA -0.186 3.934 4.120 0.000 0.000 0.250 383 V C 2.549 178.613 176.094 -0.049 0.000 1.058 383 V CA 1.934 64.190 62.300 -0.075 0.000 1.064 383 V CB -0.923 30.830 31.823 -0.117 0.000 0.675 383 V HN 0.562 nan 8.190 nan 0.000 0.461 384 G N -0.737 108.040 108.800 -0.038 0.000 2.402 384 G HA2 -0.175 3.785 3.960 0.000 0.000 0.216 384 G HA3 -0.175 3.785 3.960 0.000 0.000 0.216 384 G C 1.676 176.588 174.900 0.021 0.000 1.162 384 G CA 1.044 46.130 45.100 -0.023 0.000 0.777 384 G HN 0.365 nan 8.290 nan 0.000 0.539 385 V N 0.302 120.249 119.914 0.054 0.000 2.515 385 V HA -0.045 4.075 4.120 0.000 0.000 0.250 385 V C 2.667 178.777 176.094 0.027 0.000 1.058 385 V CA 1.312 63.647 62.300 0.058 0.000 1.064 385 V CB -0.016 31.858 31.823 0.085 0.000 0.675 385 V HN 0.318 nan 8.190 nan 0.000 0.461 386 L N -0.561 120.668 121.223 0.009 0.000 2.156 386 L HA -0.052 4.289 4.340 0.000 0.000 0.208 386 L C 2.468 179.336 176.870 -0.003 0.000 1.095 386 L CA 1.818 56.652 54.840 -0.009 0.000 0.770 386 L CB -0.340 41.702 42.059 -0.029 0.000 0.914 386 L HN 0.261 nan 8.230 nan 0.000 0.439 387 S N -1.026 114.672 115.700 -0.004 0.000 2.357 387 S HA -0.062 4.408 4.470 0.000 0.000 0.221 387 S C 0.886 175.495 174.600 0.015 0.000 1.031 387 S CA 0.849 59.048 58.200 -0.002 0.000 0.982 387 S CB -0.039 63.152 63.200 -0.015 0.000 0.853 387 S HN 0.324 nan 8.310 nan 0.000 0.458 388 K N 0.276 120.689 120.400 0.021 0.000 2.615 388 K HA 0.607 4.927 4.320 0.000 0.000 0.249 388 K C -1.529 175.095 176.600 0.041 0.000 0.977 388 K CA -0.289 56.018 56.287 0.032 0.000 0.833 388 K CB 1.442 33.957 32.500 0.025 0.000 1.208 388 K HN 0.231 nan 8.250 nan 0.000 0.443 389 A N 2.962 125.813 122.820 0.052 0.000 2.490 389 A HA 0.236 4.556 4.320 0.000 0.000 0.292 389 A C -1.812 175.815 177.584 0.072 0.000 1.047 389 A CA -0.859 51.211 52.037 0.055 0.000 0.632 389 A CB 0.713 19.741 19.000 0.047 0.000 1.323 389 A HN 0.835 nan 8.150 nan 0.000 0.448 390 D N -0.452 119.990 120.400 0.071 0.000 2.472 390 D HA 0.220 4.860 4.640 0.000 0.000 0.237 390 D C 0.920 177.289 176.300 0.115 0.000 1.141 390 D CA 0.335 54.393 54.000 0.097 0.000 0.875 390 D CB 0.154 41.001 40.800 0.077 0.000 1.192 390 D HN 0.510 nan 8.370 nan 0.000 0.450 391 F N 3.507 123.480 119.950 0.037 0.000 2.120 391 F HA -0.199 4.328 4.527 0.000 0.000 0.300 391 F C 1.849 177.682 175.800 0.055 0.000 1.095 391 F CA 1.627 59.652 58.000 0.041 0.000 1.249 391 F CB 0.014 39.035 39.000 0.035 0.000 0.995 391 F HN 0.430 nan 8.300 nan 0.000 0.480 392 K N -0.813 119.587 120.400 -0.000 0.000 2.147 392 K HA -0.129 4.191 4.320 0.000 0.000 0.205 392 K C 1.930 178.477 176.600 -0.089 0.000 1.049 392 K CA 1.778 58.023 56.287 -0.070 0.000 0.936 392 K CB -0.524 32.005 32.500 0.049 0.000 0.722 392 K HN 0.291 nan 8.250 nan 0.000 0.446 393 T N 1.496 116.027 114.554 -0.039 0.000 2.857 393 T HA -0.106 4.244 4.350 0.000 0.000 0.266 393 T C 1.836 176.515 174.700 -0.035 0.000 1.048 393 T CA 0.975 63.076 62.100 0.002 0.000 1.139 393 T CB -0.028 68.859 68.868 0.033 0.000 0.874 393 T HN 0.276 nan 8.240 nan 0.000 0.455 394 Q N 0.791 120.522 119.800 -0.116 0.000 2.084 394 Q HA -0.083 4.257 4.340 0.000 0.000 0.202 394 Q C 2.358 178.239 176.000 -0.198 0.000 0.978 394 Q CA 1.209 56.927 55.803 -0.142 0.000 0.844 394 Q CB -0.165 28.474 28.738 -0.164 0.000 0.898 394 Q HN 0.400 nan 8.270 nan 0.000 0.426 395 K N 0.413 120.593 120.400 -0.366 0.000 2.147 395 K HA -0.159 4.162 4.320 0.000 0.000 0.205 395 K C 1.902 178.539 176.600 0.061 0.000 1.049 395 K CA 0.991 57.128 56.287 -0.249 0.000 0.936 395 K CB 0.229 32.540 32.500 -0.316 0.000 0.722 395 K HN 0.112 nan 8.250 nan 0.000 0.446 396 E N -0.221 120.041 120.200 0.102 0.000 2.152 396 E HA -0.111 4.239 4.350 0.000 0.000 0.192 396 E C 1.855 178.581 176.600 0.210 0.000 0.983 396 E CA 0.887 57.434 56.400 0.244 0.000 0.818 396 E CB 0.018 29.843 29.700 0.207 0.000 0.758 396 E HN 0.340 nan 8.360 nan 0.000 0.467 397 A N 1.516 124.396 122.820 0.100 0.000 1.898 397 A HA -0.026 4.295 4.320 0.000 0.000 0.216 397 A C 2.424 180.037 177.584 0.048 0.000 1.181 397 A CA 1.695 53.774 52.037 0.070 0.000 0.620 397 A CB -0.472 18.543 19.000 0.026 0.000 0.819 397 A HN 0.250 nan 8.150 nan 0.000 0.442 398 A N -1.257 121.561 122.820 -0.002 0.000 1.908 398 A HA -0.189 4.131 4.320 0.000 0.000 0.218 398 A C 2.006 179.555 177.584 -0.059 0.000 1.181 398 A CA 1.423 53.411 52.037 -0.081 0.000 0.627 398 A CB -0.932 17.959 19.000 -0.182 0.000 0.818 398 A HN 0.747 nan 8.150 nan 0.000 0.445 399 W N -0.404 120.905 121.300 0.014 0.000 2.355 399 W HA -0.079 4.581 4.660 0.001 0.000 0.309 399 W C 2.826 179.370 176.519 0.042 0.000 1.206 399 W CA 1.534 58.902 57.345 0.037 0.000 1.284 399 W CB -0.214 29.283 29.460 0.062 0.000 1.145 399 W HN 0.394 nan 8.180 nan 0.000 0.502 400 A N 0.054 123.045 122.820 0.286 0.000 1.948 400 A HA -0.231 4.089 4.320 0.000 0.000 0.220 400 A C 1.843 179.517 177.584 0.150 0.000 1.177 400 A CA 1.882 54.029 52.037 0.183 0.000 0.636 400 A CB -0.772 18.304 19.000 0.127 0.000 0.815 400 A HN 0.194 nan 8.150 nan 0.000 0.449 401 I N -1.085 119.535 120.570 0.084 0.000 2.162 401 I HA -0.137 4.034 4.170 0.000 0.000 0.238 401 I C 2.640 178.810 176.117 0.088 0.000 1.076 401 I CA 2.028 63.344 61.300 0.028 0.000 1.353 401 I CB -1.792 36.177 38.000 -0.052 0.000 1.063 401 I HN 0.330 nan 8.210 nan 0.000 0.408 402 T N 1.291 115.871 114.554 0.044 0.000 2.778 402 T HA -0.194 4.156 4.350 0.000 0.000 0.269 402 T C 1.673 176.446 174.700 0.123 0.000 1.050 402 T CA 1.863 63.984 62.100 0.036 0.000 1.137 402 T CB -0.160 68.655 68.868 -0.088 0.000 0.860 402 T HN 0.230 nan 8.240 nan 0.000 0.468 403 N N -0.265 118.550 118.700 0.191 0.000 2.135 403 N HA -0.017 4.723 4.740 0.000 0.000 0.186 403 N C 1.403 177.011 175.510 0.162 0.000 1.027 403 N CA 1.102 54.265 53.050 0.189 0.000 0.849 403 N CB -0.686 37.921 38.487 0.199 0.000 1.002 403 N HN 0.519 nan 8.380 nan 0.000 0.425 404 Y N 1.788 122.114 120.300 0.044 0.000 2.128 404 Y HA -0.238 4.312 4.550 0.000 0.000 0.284 404 Y C 2.458 178.368 175.900 0.017 0.000 1.154 404 Y CA 2.243 60.358 58.100 0.026 0.000 1.149 404 Y CB -0.869 37.605 38.460 0.024 0.000 0.976 404 Y HN 0.204 nan 8.280 nan 0.000 0.505 405 T N -2.983 111.752 114.554 0.302 0.000 3.035 405 T HA -0.121 4.230 4.350 0.000 0.000 0.268 405 T C 1.968 176.712 174.700 0.073 0.000 1.109 405 T CA 1.076 63.283 62.100 0.177 0.000 1.119 405 T CB -0.711 68.228 68.868 0.118 0.000 0.900 405 T HN 0.391 nan 8.240 nan 0.000 0.503 406 S N 0.316 116.056 115.700 0.066 0.000 2.501 406 S HA 0.352 4.822 4.470 0.000 0.000 0.220 406 S C 1.850 176.458 174.600 0.012 0.000 0.997 406 S CA 0.400 58.626 58.200 0.044 0.000 0.919 406 S CB -0.302 62.937 63.200 0.065 0.000 0.778 406 S HN 0.660 nan 8.310 nan 0.000 0.523 407 G N -0.192 108.595 108.800 -0.022 0.000 3.443 407 G HA2 0.508 4.469 3.960 0.000 0.000 0.252 407 G HA3 0.508 4.469 3.960 0.000 0.000 0.252 407 G C 0.399 175.231 174.900 -0.113 0.000 1.015 407 G CA 0.147 45.215 45.100 -0.053 0.000 0.891 407 G HN 0.621 nan 8.290 nan 0.000 0.510 408 G N 0.552 109.248 108.800 -0.174 0.000 2.504 408 G HA2 0.469 4.429 3.960 0.000 0.000 0.288 408 G HA3 0.469 4.429 3.960 0.000 0.000 0.288 408 G C 0.511 175.329 174.900 -0.136 0.000 1.182 408 G CA 0.360 45.308 45.100 -0.254 0.000 0.894 408 G HN 0.395 nan 8.290 nan 0.000 0.521 409 T N -1.856 112.626 114.554 -0.120 0.000 2.766 409 T HA 0.118 4.469 4.350 0.000 0.000 0.295 409 T C 1.546 176.225 174.700 -0.035 0.000 1.024 409 T CA -0.225 61.837 62.100 -0.062 0.000 1.018 409 T CB 1.206 70.042 68.868 -0.053 0.000 1.002 409 T HN 0.172 nan 8.240 nan 0.000 0.532 410 V N 1.398 121.301 119.914 -0.017 0.000 2.343 410 V HA -0.126 3.994 4.120 0.000 0.000 0.247 410 V C 2.848 178.944 176.094 0.002 0.000 1.051 410 V CA 2.453 64.749 62.300 -0.006 0.000 1.036 410 V CB -1.114 30.707 31.823 -0.004 0.000 0.654 410 V HN 1.101 nan 8.190 nan 0.000 0.451 411 E N -0.297 119.906 120.200 0.004 0.000 2.209 411 E HA -0.291 4.059 4.350 0.000 0.000 0.196 411 E C 2.133 178.768 176.600 0.058 0.000 0.993 411 E CA 1.625 58.037 56.400 0.021 0.000 0.819 411 E CB -0.100 29.604 29.700 0.008 0.000 0.745 411 E HN 0.701 nan 8.360 nan 0.000 0.477 412 Q N -0.053 119.779 119.800 0.053 0.000 2.123 412 Q HA 0.011 4.351 4.340 0.000 0.000 0.196 412 Q C 2.264 178.434 176.000 0.283 0.000 0.958 412 Q CA 1.171 57.058 55.803 0.141 0.000 0.841 412 Q CB 0.097 28.815 28.738 -0.033 0.000 0.915 412 Q HN 0.397 nan 8.270 nan 0.000 0.455 413 I N 0.030 120.700 120.570 0.167 0.000 2.614 413 I HA -0.207 3.963 4.170 0.000 0.000 0.258 413 I C 1.966 178.104 176.117 0.034 0.000 1.189 413 I CA 0.494 61.900 61.300 0.176 0.000 1.462 413 I CB -0.001 38.042 38.000 0.073 0.000 1.092 413 I HN 0.045 nan 8.210 nan 0.000 0.442 414 V N 0.232 120.139 119.914 -0.012 0.000 2.323 414 V HA -0.300 3.820 4.120 0.000 0.000 0.244 414 V C 2.290 178.224 176.094 -0.266 0.000 1.041 414 V CA 1.802 63.990 62.300 -0.186 0.000 1.025 414 V CB -0.658 31.075 31.823 -0.149 0.000 0.656 414 V HN 0.426 nan 8.190 nan 0.000 0.451 415 Y N 0.807 121.031 120.300 -0.127 0.000 2.165 415 Y HA -0.272 4.278 4.550 0.000 0.000 0.286 415 Y C 2.202 178.083 175.900 -0.032 0.000 1.155 415 Y CA 1.919 60.008 58.100 -0.018 0.000 1.164 415 Y CB -0.471 38.034 38.460 0.075 0.000 0.978 415 Y HN 0.228 nan 8.280 nan 0.000 0.513 416 L N -0.332 120.808 121.223 -0.138 0.000 2.043 416 L HA -0.188 4.152 4.340 0.000 0.000 0.212 416 L C 2.211 178.901 176.870 -0.300 0.000 1.075 416 L CA 1.925 56.572 54.840 -0.322 0.000 0.752 416 L CB -1.027 40.885 42.059 -0.244 0.000 0.891 416 L HN 0.173 nan 8.230 nan 0.000 0.432 417 V N -0.899 118.872 119.914 -0.240 0.000 2.453 417 V HA -0.273 3.847 4.120 0.000 0.000 0.247 417 V C 2.271 178.290 176.094 -0.125 0.000 1.048 417 V CA 1.924 64.102 62.300 -0.202 0.000 1.049 417 V CB -0.889 30.801 31.823 -0.221 0.000 0.672 417 V HN 0.612 nan 8.190 nan 0.000 0.457 418 H N -1.980 116.998 119.070 -0.153 0.000 2.521 418 H HA -0.130 4.427 4.556 0.000 0.000 0.286 418 H C 2.111 177.323 175.328 -0.194 0.000 1.034 418 H CA 1.122 57.093 56.048 -0.129 0.000 1.278 418 H CB 0.023 29.752 29.762 -0.055 0.000 1.386 418 H HN 0.397 nan 8.280 nan 0.000 0.567 419 C N -0.032 119.144 119.300 -0.206 0.000 2.562 419 C HA 0.191 4.651 4.460 0.000 0.000 0.266 419 C C 1.728 176.617 174.990 -0.169 0.000 1.382 419 C CA 0.819 59.680 59.018 -0.261 0.000 1.742 419 C CB -0.639 26.829 27.740 -0.453 0.000 1.812 419 C HN 0.865 nan 8.230 nan 0.000 0.559 420 G N 0.619 109.340 108.800 -0.132 0.000 2.164 420 G HA2 -0.225 3.736 3.960 0.000 0.000 0.212 420 G HA3 -0.225 3.736 3.960 0.000 0.000 0.212 420 G C 0.419 175.253 174.900 -0.110 0.000 1.031 420 G CA 0.255 45.294 45.100 -0.101 0.000 0.730 420 G HN 0.384 nan 8.290 nan 0.000 0.501 421 I N 0.359 120.846 120.570 -0.138 0.000 2.500 421 I HA 0.052 4.222 4.170 0.000 0.000 0.252 421 I C 2.442 178.495 176.117 -0.106 0.000 1.142 421 I CA 0.723 61.942 61.300 -0.134 0.000 1.451 421 I CB -0.086 37.809 38.000 -0.175 0.000 1.093 421 I HN 0.337 nan 8.210 nan 0.000 0.430 422 I N 0.476 120.985 120.570 -0.103 0.000 2.118 422 I HA -0.323 3.847 4.170 0.000 0.000 0.241 422 I C 2.445 178.529 176.117 -0.056 0.000 1.070 422 I CA 1.591 62.840 61.300 -0.086 0.000 1.327 422 I CB -1.543 36.403 38.000 -0.089 0.000 1.034 422 I HN 0.399 nan 8.210 nan 0.000 0.405 423 E N 0.948 121.120 120.200 -0.047 0.000 2.017 423 E HA -0.185 4.165 4.350 0.000 0.000 0.193 423 E C -0.495 176.088 176.600 -0.030 0.000 0.997 423 E CA 1.635 58.016 56.400 -0.032 0.000 0.804 423 E CB -0.756 28.928 29.700 -0.028 0.000 0.757 423 E HN 0.274 nan 8.360 nan 0.000 0.448 424 P HA -0.174 nan 4.420 nan 0.000 0.218 424 P C 1.640 178.924 177.300 -0.027 0.000 1.148 424 P CA 0.915 63.998 63.100 -0.028 0.000 0.822 424 P CB -0.058 31.620 31.700 -0.037 0.000 0.784 425 L N -1.536 119.662 121.223 -0.041 0.000 2.056 425 L HA -0.098 4.242 4.340 0.000 0.000 0.207 425 L C 2.524 179.378 176.870 -0.026 0.000 1.078 425 L CA 1.871 56.685 54.840 -0.043 0.000 0.749 425 L CB -1.230 40.793 42.059 -0.060 0.000 0.901 425 L HN -0.142 nan 8.230 nan 0.000 0.433 426 M N -0.590 118.997 119.600 -0.021 0.000 2.059 426 M HA -0.165 4.315 4.480 0.000 0.000 0.259 426 M C 2.038 178.334 176.300 -0.006 0.000 1.072 426 M CA 1.393 56.687 55.300 -0.011 0.000 1.117 426 M CB -1.623 30.972 32.600 -0.010 0.000 1.320 426 M HN 0.261 nan 8.290 nan 0.000 0.408 427 N N 0.513 119.211 118.700 -0.003 0.000 2.184 427 N HA -0.146 4.594 4.740 0.000 0.000 0.190 427 N C 1.693 177.216 175.510 0.022 0.000 1.011 427 N CA 1.014 54.068 53.050 0.007 0.000 0.867 427 N CB -0.514 37.977 38.487 0.008 0.000 0.993 427 N HN 0.380 nan 8.380 nan 0.000 0.433 428 L N 0.304 121.541 121.223 0.024 0.000 2.552 428 L HA 0.054 4.394 4.340 0.000 0.000 0.227 428 L C 1.560 178.458 176.870 0.047 0.000 1.146 428 L CA 0.222 55.094 54.840 0.054 0.000 0.858 428 L CB -0.133 41.948 42.059 0.037 0.000 0.969 428 L HN 0.162 nan 8.230 nan 0.000 0.451 429 L N -1.267 119.965 121.223 0.016 0.000 2.478 429 L HA -0.064 4.276 4.340 0.000 0.000 0.223 429 L C 1.831 178.705 176.870 0.006 0.000 1.140 429 L CA 0.361 55.201 54.840 0.000 0.000 0.842 429 L CB -0.079 41.973 42.059 -0.013 0.000 0.953 429 L HN 0.082 nan 8.230 nan 0.000 0.452 430 S N 0.171 115.882 115.700 0.018 0.000 2.743 430 S HA 0.305 4.775 4.470 0.000 0.000 0.230 430 S C 0.588 175.198 174.600 0.017 0.000 0.950 430 S CA -0.142 58.067 58.200 0.014 0.000 0.976 430 S CB -0.142 63.064 63.200 0.011 0.000 0.779 430 S HN 0.321 nan 8.310 nan 0.000 0.487 431 A N 1.822 124.662 122.820 0.034 0.000 2.325 431 A HA 0.565 4.885 4.320 0.000 0.000 0.333 431 A C -0.057 177.529 177.584 0.004 0.000 1.155 431 A CA -0.863 51.183 52.037 0.015 0.000 0.814 431 A CB 0.768 19.849 19.000 0.134 0.000 1.206 431 A HN 0.260 nan 8.150 nan 0.000 0.482 432 K N 2.701 123.065 120.400 -0.061 0.000 2.229 432 K HA 0.251 4.571 4.320 0.000 0.000 0.247 432 K C -1.233 175.361 176.600 -0.011 0.000 1.117 432 K CA -0.026 56.250 56.287 -0.018 0.000 1.036 432 K CB 0.323 32.801 32.500 -0.038 0.000 1.654 432 K HN 0.689 nan 8.250 nan 0.000 0.405 433 D N 2.165 122.608 120.400 0.071 0.000 2.491 433 D HA -0.079 4.561 4.640 0.000 0.000 0.232 433 D C 0.901 177.276 176.300 0.125 0.000 1.334 433 D CA -0.014 54.063 54.000 0.128 0.000 0.909 433 D CB 0.975 41.931 40.800 0.259 0.000 1.513 433 D HN 0.376 nan 8.370 nan 0.000 0.514 434 T N 1.271 115.897 114.554 0.121 0.000 2.802 434 T HA -0.270 4.081 4.350 0.000 0.000 0.269 434 T C 1.614 176.352 174.700 0.062 0.000 1.062 434 T CA 1.551 63.712 62.100 0.102 0.000 1.133 434 T CB 0.072 69.050 68.868 0.184 0.000 0.852 434 T HN 0.152 nan 8.240 nan 0.000 0.485 435 K N 0.873 121.327 120.400 0.090 0.000 2.057 435 K HA 0.205 4.525 4.320 0.000 0.000 0.206 435 K C 2.141 178.735 176.600 -0.010 0.000 1.050 435 K CA 1.235 57.566 56.287 0.073 0.000 0.935 435 K CB -0.916 31.672 32.500 0.147 0.000 0.715 435 K HN 0.590 nan 8.250 nan 0.000 0.439 436 I N 0.133 120.715 120.570 0.020 0.000 2.252 436 I HA -0.199 3.971 4.170 0.000 0.000 0.245 436 I C 1.659 177.722 176.117 -0.091 0.000 1.102 436 I CA 1.157 62.420 61.300 -0.062 0.000 1.385 436 I CB 0.028 38.057 38.000 0.049 0.000 1.064 436 I HN 0.136 nan 8.210 nan 0.000 0.414 437 I N 0.516 121.061 120.570 -0.042 0.000 2.454 437 I HA -0.299 3.871 4.170 0.000 0.000 0.254 437 I C 2.379 178.437 176.117 -0.098 0.000 1.156 437 I CA 1.185 62.441 61.300 -0.074 0.000 1.433 437 I CB -0.475 37.459 38.000 -0.109 0.000 1.082 437 I HN 0.425 nan 8.210 nan 0.000 0.432 438 Q N 0.256 119.996 119.800 -0.100 0.000 2.020 438 Q HA -0.116 4.224 4.340 0.000 0.000 0.198 438 Q C 2.494 178.397 176.000 -0.161 0.000 0.974 438 Q CA 1.247 56.991 55.803 -0.098 0.000 0.829 438 Q CB -0.215 28.486 28.738 -0.063 0.000 0.894 438 Q HN 0.333 nan 8.270 nan 0.000 0.433 439 V N 1.616 121.358 119.914 -0.287 0.000 2.324 439 V HA -0.287 3.833 4.120 0.000 0.000 0.250 439 V C 2.195 178.117 176.094 -0.286 0.000 1.060 439 V CA 1.714 63.734 62.300 -0.467 0.000 1.042 439 V CB -0.527 30.780 31.823 -0.860 0.000 0.650 439 V HN 0.345 nan 8.190 nan 0.000 0.450 440 I N -0.866 119.582 120.570 -0.203 0.000 2.286 440 I HA -0.213 3.957 4.170 0.000 0.000 0.245 440 I C 2.313 178.387 176.117 -0.071 0.000 1.104 440 I CA 1.406 62.632 61.300 -0.124 0.000 1.397 440 I CB -0.269 37.677 38.000 -0.090 0.000 1.072 440 I HN 0.261 nan 8.210 nan 0.000 0.417 441 L N 0.139 121.328 121.223 -0.058 0.000 2.083 441 L HA -0.251 4.089 4.340 0.000 0.000 0.209 441 L C 2.273 179.146 176.870 0.005 0.000 1.083 441 L CA 1.315 56.150 54.840 -0.008 0.000 0.752 441 L CB -0.587 41.466 42.059 -0.010 0.000 0.899 441 L HN 0.321 nan 8.230 nan 0.000 0.433 442 D N -0.120 120.260 120.400 -0.033 0.000 2.144 442 D HA -0.172 4.469 4.640 0.000 0.000 0.199 442 D C 2.090 178.388 176.300 -0.003 0.000 0.984 442 D CA 1.376 55.365 54.000 -0.017 0.000 0.834 442 D CB 0.383 41.151 40.800 -0.054 0.000 0.955 442 D HN 0.351 nan 8.370 nan 0.000 0.465 443 A N 1.155 123.956 122.820 -0.031 0.000 1.873 443 A HA -0.136 4.185 4.320 0.000 0.000 0.215 443 A C 2.129 179.704 177.584 -0.016 0.000 1.186 443 A CA 0.738 52.761 52.037 -0.024 0.000 0.616 443 A CB -0.425 18.543 19.000 -0.053 0.000 0.823 443 A HN 0.167 nan 8.150 nan 0.000 0.442 444 I N 0.693 121.263 120.570 -0.001 0.000 2.264 444 I HA -0.192 3.978 4.170 0.000 0.000 0.248 444 I C 2.808 178.984 176.117 0.098 0.000 1.111 444 I CA 2.016 63.326 61.300 0.015 0.000 1.382 444 I CB -1.482 36.583 38.000 0.108 0.000 1.060 444 I HN 0.498 nan 8.210 nan 0.000 0.418 445 S N 1.251 117.030 115.700 0.132 0.000 2.368 445 S HA -0.153 4.317 4.470 0.000 0.000 0.224 445 S C 1.800 176.466 174.600 0.109 0.000 1.029 445 S CA 1.205 59.505 58.200 0.167 0.000 0.988 445 S CB -0.307 62.977 63.200 0.140 0.000 0.838 445 S HN 0.417 nan 8.310 nan 0.000 0.462 446 N N 1.213 119.949 118.700 0.059 0.000 2.309 446 N HA 0.054 4.794 4.740 0.000 0.000 0.182 446 N C 1.702 177.219 175.510 0.011 0.000 1.018 446 N CA 1.372 54.447 53.050 0.042 0.000 0.876 446 N CB -0.300 38.209 38.487 0.037 0.000 0.972 446 N HN 0.554 nan 8.380 nan 0.000 0.434 447 I N -0.593 119.951 120.570 -0.042 0.000 2.339 447 I HA -0.139 4.031 4.170 0.000 0.000 0.245 447 I C 1.672 177.680 176.117 -0.181 0.000 1.096 447 I CA 0.514 61.735 61.300 -0.132 0.000 1.408 447 I CB -0.237 37.625 38.000 -0.231 0.000 1.092 447 I HN -0.115 nan 8.210 nan 0.000 0.423 448 F N 1.408 121.216 119.950 -0.236 0.000 2.126 448 F HA -0.271 4.256 4.527 0.000 0.000 0.299 448 F C 2.744 178.423 175.800 -0.201 0.000 1.096 448 F CA 1.686 59.438 58.000 -0.414 0.000 1.255 448 F CB -0.653 37.730 39.000 -1.028 0.000 0.997 448 F HN 0.083 nan 8.300 nan 0.000 0.479 449 Q N -0.381 119.485 119.800 0.110 0.000 2.112 449 Q HA -0.243 4.097 4.340 0.000 0.000 0.206 449 Q C 2.290 178.331 176.000 0.068 0.000 0.987 449 Q CA 1.783 57.657 55.803 0.119 0.000 0.858 449 Q CB -0.284 28.513 28.738 0.098 0.000 0.905 449 Q HN 0.417 nan 8.270 nan 0.000 0.420 450 A N -0.127 122.707 122.820 0.023 0.000 2.014 450 A HA 0.034 4.354 4.320 0.000 0.000 0.218 450 A C 2.107 179.690 177.584 -0.002 0.000 1.163 450 A CA 1.217 53.257 52.037 0.004 0.000 0.652 450 A CB -0.511 18.479 19.000 -0.017 0.000 0.808 450 A HN 0.485 nan 8.150 nan 0.000 0.449 451 A N -0.256 122.556 122.820 -0.014 0.000 1.929 451 A HA -0.095 4.225 4.320 0.000 0.000 0.216 451 A C 1.878 179.491 177.584 0.049 0.000 1.176 451 A CA 1.510 53.542 52.037 -0.009 0.000 0.628 451 A CB -0.449 18.521 19.000 -0.050 0.000 0.816 451 A HN 0.571 nan 8.150 nan 0.000 0.444 452 E N -0.031 120.226 120.200 0.095 0.000 2.118 452 E HA -0.203 4.147 4.350 0.000 0.000 0.195 452 E C 1.530 178.170 176.600 0.068 0.000 0.992 452 E CA 1.436 57.906 56.400 0.116 0.000 0.804 452 E CB -0.079 29.717 29.700 0.160 0.000 0.741 452 E HN 0.593 nan 8.360 nan 0.000 0.458 453 K N -0.276 120.154 120.400 0.050 0.000 2.525 453 K HA 0.017 4.338 4.320 0.000 0.000 0.192 453 K C 1.083 177.698 176.600 0.025 0.000 1.029 453 K CA 0.402 56.709 56.287 0.033 0.000 1.029 453 K CB 0.374 32.890 32.500 0.026 0.000 0.814 453 K HN 0.136 nan 8.250 nan 0.000 0.503 454 L N -1.266 119.972 121.223 0.026 0.000 3.086 454 L HA 0.251 4.591 4.340 0.000 0.000 0.274 454 L C 0.744 177.629 176.870 0.025 0.000 1.184 454 L CA -0.208 54.644 54.840 0.020 0.000 1.002 454 L CB 0.931 42.998 42.059 0.012 0.000 1.383 454 L HN 0.245 nan 8.230 nan 0.000 0.582 455 G N 1.145 109.965 108.800 0.034 0.000 2.249 455 G HA2 -0.265 3.695 3.960 0.000 0.000 0.273 455 G HA3 -0.265 3.695 3.960 0.000 0.000 0.273 455 G C 0.417 175.338 174.900 0.036 0.000 1.036 455 G CA 0.420 45.542 45.100 0.037 0.000 0.824 455 G HN 0.529 nan 8.290 nan 0.000 0.504 456 E N -0.324 119.897 120.200 0.035 0.000 2.569 456 E HA 0.073 4.423 4.350 0.000 0.000 0.205 456 E C 1.815 178.434 176.600 0.031 0.000 1.006 456 E CA 0.573 56.988 56.400 0.025 0.000 0.985 456 E CB 0.063 29.768 29.700 0.007 0.000 1.060 456 E HN 0.547 nan 8.360 nan 0.000 0.460 457 T N -0.002 114.599 114.554 0.077 0.000 2.788 457 T HA -0.190 4.160 4.350 0.000 0.000 0.268 457 T C 1.831 176.608 174.700 0.128 0.000 1.044 457 T CA 1.124 63.317 62.100 0.155 0.000 1.139 457 T CB 0.031 69.040 68.868 0.236 0.000 0.867 457 T HN 0.181 nan 8.240 nan 0.000 0.454 458 E N 1.270 121.513 120.200 0.072 0.000 2.051 458 E HA -0.141 4.210 4.350 0.000 0.000 0.192 458 E C 2.261 178.884 176.600 0.039 0.000 0.991 458 E CA 0.929 57.357 56.400 0.046 0.000 0.799 458 E CB 0.018 29.740 29.700 0.037 0.000 0.748 458 E HN 0.352 nan 8.360 nan 0.000 0.449 459 K N 0.184 120.600 120.400 0.027 0.000 2.103 459 K HA -0.195 4.125 4.320 0.000 0.000 0.207 459 K C 2.233 178.828 176.600 -0.009 0.000 1.048 459 K CA 0.934 57.229 56.287 0.014 0.000 0.930 459 K CB -0.290 32.215 32.500 0.010 0.000 0.716 459 K HN 0.194 nan 8.250 nan 0.000 0.444 460 L N 1.279 122.471 121.223 -0.052 0.000 2.109 460 L HA -0.051 4.289 4.340 0.000 0.000 0.207 460 L C 2.073 178.902 176.870 -0.069 0.000 1.086 460 L CA 1.552 56.290 54.840 -0.170 0.000 0.760 460 L CB -0.415 41.368 42.059 -0.459 0.000 0.910 460 L HN -0.036 nan 8.230 nan 0.000 0.437 461 S N -0.119 115.607 115.700 0.044 0.000 2.370 461 S HA -0.172 4.298 4.470 0.000 0.000 0.226 461 S C 1.970 176.716 174.600 0.243 0.000 1.033 461 S CA 1.948 60.137 58.200 -0.019 0.000 1.011 461 S CB -0.476 62.598 63.200 -0.211 0.000 0.852 461 S HN 0.466 nan 8.310 nan 0.000 0.457 462 I N 0.961 121.620 120.570 0.149 0.000 2.252 462 I HA -0.193 3.977 4.170 0.000 0.000 0.245 462 I C 2.505 178.703 176.117 0.135 0.000 1.102 462 I CA 1.089 62.481 61.300 0.153 0.000 1.385 462 I CB -0.232 37.821 38.000 0.088 0.000 1.064 462 I HN 0.276 nan 8.210 nan 0.000 0.414 463 M N 0.258 119.909 119.600 0.086 0.000 2.080 463 M HA -0.262 4.218 4.480 0.000 0.000 0.260 463 M C 2.271 178.619 176.300 0.080 0.000 1.068 463 M CA 2.088 57.418 55.300 0.050 0.000 1.109 463 M CB -0.177 32.419 32.600 -0.006 0.000 1.342 463 M HN 0.165 nan 8.290 nan 0.000 0.405 464 I N -0.752 119.912 120.570 0.157 0.000 2.493 464 I HA -0.264 3.906 4.170 0.000 0.000 0.254 464 I C 2.246 178.453 176.117 0.149 0.000 1.160 464 I CA 1.130 62.548 61.300 0.197 0.000 1.445 464 I CB -0.443 37.822 38.000 0.441 0.000 1.086 464 I HN 0.416 nan 8.210 nan 0.000 0.433 465 E N 0.815 121.142 120.200 0.211 0.000 2.072 465 E HA -0.182 4.168 4.350 0.000 0.000 0.190 465 E C 2.051 178.684 176.600 0.056 0.000 0.982 465 E CA 0.789 57.258 56.400 0.116 0.000 0.803 465 E CB 0.227 30.052 29.700 0.208 0.000 0.755 465 E HN 0.388 nan 8.360 nan 0.000 0.453 466 E N 0.045 120.283 120.200 0.063 0.000 2.051 466 E HA -0.189 4.161 4.350 0.000 0.000 0.192 466 E C 2.281 178.892 176.600 0.017 0.000 0.991 466 E CA 1.398 57.819 56.400 0.035 0.000 0.799 466 E CB -0.421 29.298 29.700 0.032 0.000 0.748 466 E HN 0.478 nan 8.360 nan 0.000 0.449 467 C N -0.402 118.908 119.300 0.015 0.000 2.578 467 C HA 0.607 5.068 4.460 0.000 0.000 0.285 467 C C 1.589 176.575 174.990 -0.006 0.000 1.297 467 C CA -0.086 58.933 59.018 0.002 0.000 1.690 467 C CB -0.886 26.853 27.740 -0.001 0.000 1.773 467 C HN 0.489 nan 8.230 nan 0.000 0.594 468 G N 0.284 109.077 108.800 -0.012 0.000 2.136 468 G HA2 -0.122 3.839 3.960 0.000 0.000 0.242 468 G HA3 -0.122 3.839 3.960 0.000 0.000 0.242 468 G C 1.013 175.885 174.900 -0.047 0.000 0.989 468 G CA 0.274 45.357 45.100 -0.029 0.000 0.682 468 G HN 0.955 nan 8.290 nan 0.000 0.522 469 G N 0.120 108.894 108.800 -0.044 0.000 2.402 469 G HA2 0.101 4.061 3.960 0.000 0.000 0.216 469 G HA3 0.101 4.061 3.960 0.000 0.000 0.216 469 G C 1.705 176.516 174.900 -0.148 0.000 1.162 469 G CA 1.563 46.631 45.100 -0.053 0.000 0.777 469 G HN 0.989 nan 8.290 nan 0.000 0.539 470 L N 1.036 122.083 121.223 -0.293 0.000 2.093 470 L HA 0.097 4.438 4.340 0.000 0.000 0.208 470 L C 1.774 178.478 176.870 -0.276 0.000 1.085 470 L CA 2.027 56.545 54.840 -0.538 0.000 0.755 470 L CB -0.507 41.055 42.059 -0.829 0.000 0.904 470 L HN 0.245 nan 8.230 nan 0.000 0.435 471 D N -1.323 118.976 120.400 -0.168 0.000 2.346 471 D HA -0.067 4.574 4.640 0.000 0.000 0.248 471 D C 1.494 177.751 176.300 -0.071 0.000 1.173 471 D CA 0.602 54.543 54.000 -0.099 0.000 0.878 471 D CB 0.116 40.877 40.800 -0.066 0.000 0.919 471 D HN 0.353 nan 8.370 nan 0.000 0.513 472 K N -1.076 119.275 120.400 -0.082 0.000 2.550 472 K HA 0.171 4.492 4.320 0.000 0.000 0.205 472 K C 1.629 178.203 176.600 -0.043 0.000 1.429 472 K CA -0.034 56.224 56.287 -0.048 0.000 0.997 472 K CB 0.522 32.999 32.500 -0.038 0.000 1.328 472 K HN 0.148 nan 8.250 nan 0.000 0.546 473 I N 1.775 122.303 120.570 -0.069 0.000 2.406 473 I HA -0.148 4.022 4.170 0.000 0.000 0.249 473 I C 1.884 177.988 176.117 -0.021 0.000 1.122 473 I CA 1.300 62.579 61.300 -0.035 0.000 1.431 473 I CB -0.077 37.901 38.000 -0.036 0.000 1.087 473 I HN 0.157 nan 8.210 nan 0.000 0.424 474 E N 1.198 121.362 120.200 -0.059 0.000 2.110 474 E HA -0.199 4.151 4.350 0.000 0.000 0.193 474 E C 2.348 178.947 176.600 -0.001 0.000 0.988 474 E CA 1.295 57.678 56.400 -0.029 0.000 0.804 474 E CB -0.130 29.537 29.700 -0.055 0.000 0.745 474 E HN 0.502 nan 8.360 nan 0.000 0.458 475 A N 0.903 123.718 122.820 -0.008 0.000 1.898 475 A HA -0.137 4.183 4.320 0.000 0.000 0.216 475 A C 2.141 179.752 177.584 0.044 0.000 1.181 475 A CA 0.943 52.987 52.037 0.011 0.000 0.620 475 A CB -0.554 18.449 19.000 0.004 0.000 0.819 475 A HN 0.142 nan 8.150 nan 0.000 0.442 476 L N -0.910 120.338 121.223 0.041 0.000 2.131 476 L HA -0.223 4.117 4.340 0.000 0.000 0.210 476 L C 2.735 179.686 176.870 0.135 0.000 1.092 476 L CA 1.360 56.238 54.840 0.065 0.000 0.759 476 L CB -0.462 41.593 42.059 -0.007 0.000 0.903 476 L HN 0.509 nan 8.230 nan 0.000 0.435 477 Q N 0.387 120.253 119.800 0.111 0.000 2.308 477 Q HA -0.171 4.169 4.340 0.000 0.000 0.209 477 Q C 0.678 176.774 176.000 0.159 0.000 0.985 477 Q CA 1.148 57.049 55.803 0.164 0.000 0.881 477 Q CB 0.188 28.991 28.738 0.109 0.000 0.917 477 Q HN 0.439 nan 8.270 nan 0.000 0.443 478 R N -0.011 120.535 120.500 0.076 0.000 3.585 478 R HA 0.168 4.508 4.340 0.000 0.000 0.324 478 R C -0.979 175.335 176.300 0.024 0.000 1.372 478 R CA -0.163 55.915 56.100 -0.037 0.000 1.291 478 R CB 0.221 30.495 30.300 -0.044 0.000 1.470 478 R HN 0.126 nan 8.270 nan 0.000 0.633 479 H N 0.620 119.698 119.070 0.013 0.000 2.466 479 H HA 0.075 4.631 4.556 0.000 0.000 0.338 479 H C 0.964 176.350 175.328 0.096 0.000 1.091 479 H CA -0.516 55.568 56.048 0.060 0.000 1.207 479 H CB 1.403 31.229 29.762 0.107 0.000 1.466 479 H HN 0.281 nan 8.280 nan 0.000 0.493 480 E N 2.254 122.293 120.200 -0.270 0.000 2.273 480 E HA -0.230 4.121 4.350 0.000 0.000 0.198 480 E C 0.217 176.869 176.600 0.087 0.000 1.002 480 E CA 0.862 57.193 56.400 -0.115 0.000 0.828 480 E CB 0.016 29.601 29.700 -0.192 0.000 0.747 480 E HN 0.451 nan 8.360 nan 0.000 0.491 481 N N 1.157 119.980 118.700 0.204 0.000 2.499 481 N HA -0.052 4.688 4.740 0.000 0.000 0.281 481 N C 0.815 176.480 175.510 0.258 0.000 1.098 481 N CA 0.113 53.315 53.050 0.254 0.000 0.979 481 N CB 0.892 39.558 38.487 0.299 0.000 1.121 481 N HN 0.334 nan 8.380 nan 0.000 0.466 482 E N 1.692 121.965 120.200 0.121 0.000 2.153 482 E HA -0.135 4.216 4.350 0.000 0.000 0.194 482 E C 1.065 177.603 176.600 -0.104 0.000 0.988 482 E CA 0.965 57.326 56.400 -0.065 0.000 0.811 482 E CB -0.111 29.558 29.700 -0.052 0.000 0.746 482 E HN 0.368 nan 8.360 nan 0.000 0.466 483 S N -0.252 115.445 115.700 -0.004 0.000 2.481 483 S HA -0.010 4.460 4.470 0.000 0.000 0.231 483 S C 1.671 176.270 174.600 -0.002 0.000 0.996 483 S CA 0.592 58.787 58.200 -0.008 0.000 0.942 483 S CB 0.227 63.441 63.200 0.023 0.000 0.768 483 S HN 0.210 nan 8.310 nan 0.000 0.520 484 V N 0.117 120.059 119.914 0.046 0.000 2.599 484 V HA 0.028 4.148 4.120 0.000 0.000 0.237 484 V C 1.790 177.940 176.094 0.094 0.000 1.081 484 V CA 1.059 63.383 62.300 0.041 0.000 1.107 484 V CB -0.742 31.072 31.823 -0.015 0.000 0.808 484 V HN 0.679 nan 8.190 nan 0.000 0.486 485 Y N 1.166 121.524 120.300 0.098 0.000 2.651 485 Y HA -0.014 4.536 4.550 0.000 0.000 0.296 485 Y C 1.957 177.888 175.900 0.053 0.000 1.150 485 Y CA 1.215 59.365 58.100 0.084 0.000 1.348 485 Y CB -0.505 38.017 38.460 0.103 0.000 0.983 485 Y HN 0.141 nan 8.280 nan 0.000 0.555 486 K N 0.302 120.554 120.400 -0.246 0.000 2.078 486 K HA 0.147 4.467 4.320 0.000 0.000 0.203 486 K C 2.481 179.038 176.600 -0.072 0.000 1.043 486 K CA 0.793 56.925 56.287 -0.259 0.000 0.960 486 K CB -0.242 32.096 32.500 -0.270 0.000 0.761 486 K HN 0.325 nan 8.250 nan 0.000 0.448 487 A N 1.238 124.038 122.820 -0.034 0.000 1.883 487 A HA -0.186 4.135 4.320 0.000 0.000 0.217 487 A C 2.135 179.747 177.584 0.046 0.000 1.186 487 A CA 2.220 54.263 52.037 0.010 0.000 0.624 487 A CB -0.697 18.309 19.000 0.010 0.000 0.822 487 A HN 0.282 nan 8.150 nan 0.000 0.444 488 S N -0.057 115.678 115.700 0.058 0.000 2.353 488 S HA -0.197 4.274 4.470 0.000 0.000 0.222 488 S C 1.832 176.486 174.600 0.090 0.000 1.035 488 S CA 1.437 59.687 58.200 0.082 0.000 1.025 488 S CB -0.774 62.479 63.200 0.087 0.000 0.902 488 S HN 0.443 nan 8.310 nan 0.000 0.440 489 L N 2.986 124.261 121.223 0.087 0.000 1.965 489 L HA -0.259 4.081 4.340 0.000 0.000 0.226 489 L C 2.284 179.181 176.870 0.045 0.000 1.083 489 L CA 2.132 57.017 54.840 0.075 0.000 0.790 489 L CB -0.968 41.133 42.059 0.069 0.000 0.898 489 L HN 0.301 nan 8.230 nan 0.000 0.439 490 N N -0.139 118.574 118.700 0.022 0.000 2.036 490 N HA -0.271 4.470 4.740 0.000 0.000 0.199 490 N C 1.995 177.510 175.510 0.007 0.000 1.036 490 N CA 2.618 55.666 53.050 -0.004 0.000 0.870 490 N CB -0.458 38.031 38.487 0.002 0.000 1.055 490 N HN 0.470 nan 8.380 nan 0.000 0.436 491 L N 0.663 121.941 121.223 0.092 0.000 2.013 491 L HA -0.234 4.107 4.340 0.000 0.000 0.212 491 L C 2.478 179.459 176.870 0.184 0.000 1.073 491 L CA 0.974 55.928 54.840 0.191 0.000 0.753 491 L CB -0.424 41.775 42.059 0.234 0.000 0.890 491 L HN 0.248 nan 8.230 nan 0.000 0.432 492 I N 0.363 121.037 120.570 0.173 0.000 2.054 492 I HA -0.303 3.867 4.170 0.000 0.000 0.231 492 I C 2.559 178.725 176.117 0.082 0.000 1.052 492 I CA 1.961 63.380 61.300 0.199 0.000 1.320 492 I CB -1.337 36.739 38.000 0.126 0.000 1.063 492 I HN 0.425 nan 8.210 nan 0.000 0.393 493 E N 1.446 121.659 120.200 0.021 0.000 2.339 493 E HA -0.290 4.060 4.350 0.000 0.000 0.201 493 E C 1.996 178.515 176.600 -0.135 0.000 1.015 493 E CA 1.942 58.320 56.400 -0.036 0.000 0.841 493 E CB -0.281 29.401 29.700 -0.031 0.000 0.754 493 E HN 0.483 nan 8.360 nan 0.000 0.508 494 K N -1.507 118.746 120.400 -0.246 0.000 2.308 494 K HA 0.047 4.367 4.320 0.000 0.000 0.197 494 K C 0.569 176.673 176.600 -0.827 0.000 1.049 494 K CA 0.621 56.575 56.287 -0.554 0.000 0.991 494 K CB 0.262 32.318 32.500 -0.739 0.000 0.836 494 K HN 0.201 nan 8.250 nan 0.000 0.500 495 Y N -2.032 118.066 120.300 -0.337 0.000 2.652 495 Y HA 0.283 4.833 4.550 0.000 0.000 0.274 495 Y C 0.382 175.997 175.900 -0.474 0.000 1.148 495 Y CA -0.724 57.040 58.100 -0.560 0.000 1.219 495 Y CB 0.365 38.074 38.460 -1.252 0.000 1.337 495 Y HN -0.190 nan 8.280 nan 0.000 0.490 496 F N 0.000 119.945 119.950 -0.009 0.000 2.286 496 F HA 0.000 4.527 4.527 0.000 0.000 0.279 496 F CA 0.000 58.012 58.000 0.020 0.000 1.383 496 F CB 0.000 39.025 39.000 0.041 0.000 1.145 496 F HN 0.000 nan 8.300 nan 0.000 0.574