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 2ex6_1_A DATA FIRST_RESID 28 DATA SEQUENCE TQLPAGANLA LMVQKVGASA PAIDYHSQQM ALPASTQKVI TALAALIQLG DATA SEQUENCE PDFRFTTTLE TKGNVENGVL KGDLVARFGA DPTLKRQDIR NMVATLKKSG DATA SEQUENCE VNQIDGNVLI DTSIFASHDK APGWPWNDMT QcFSAPPAAA IVDRNcFSVS DATA SEQUENCE LYSAPKPGDM AFIRVASYYP VTMFSQVRTL PRGSAEAQYc ELDVVPGDLN DATA SEQUENCE RFTLTGcLPQ RSEPLPLAFA VQDGASYAGA ILKYELKQAG ITWSGTLLRQ DATA SEQUENCE TQVNEPGTVV ASKQSAPLHD LLKIMLKKSD NMIADTVFRM IGHARFNVPG DATA SEQUENCE TWRAGSDAVR QILRQQAGVD IGNTIIADGS GLSRHNLIAP ATMMQVLQYI DATA SEQUENCE AQHDNELNFI SMLPLAGYDG SLQYRAGLHQ AGVDGKVSAK TGSLQGVYNL DATA SEQUENCE AGFITTASGQ RMAFVQYLSG YAVEPADQRN RRIPLVRFES RLYKDIYQNN 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 28 T HA 0.000 nan 4.350 nan 0.000 0.228 28 T C 0.000 174.630 174.700 -0.116 0.000 1.109 28 T CA 0.000 62.017 62.100 -0.139 0.000 1.349 28 T CB 0.000 68.781 68.868 -0.144 0.000 0.612 29 Q N 1.990 121.763 119.800 -0.045 0.000 2.465 29 Q HA 0.445 4.785 4.340 -0.000 0.000 0.237 29 Q C -0.623 175.341 176.000 -0.061 0.000 1.288 29 Q CA 0.040 55.819 55.803 -0.040 0.000 0.888 29 Q CB -0.286 28.447 28.738 -0.010 0.000 1.570 29 Q HN 0.522 nan 8.270 nan 0.000 0.532 30 L N 3.542 124.691 121.223 -0.124 0.000 2.492 30 L HA 0.562 4.902 4.340 -0.000 0.000 0.263 30 L C -1.642 175.164 176.870 -0.108 0.000 1.062 30 L CA -1.995 52.769 54.840 -0.126 0.000 0.817 30 L CB 0.440 42.373 42.059 -0.209 0.000 1.441 30 L HN 0.523 nan 8.230 nan 0.000 0.493 31 P HA 0.048 nan 4.420 nan 0.000 0.272 31 P C -1.164 176.054 177.300 -0.136 0.000 1.248 31 P CA -0.439 62.544 63.100 -0.194 0.000 0.799 31 P CB 0.271 31.738 31.700 -0.388 0.000 0.997 32 A N 0.033 122.785 122.820 -0.113 0.000 2.491 32 A HA 0.446 4.766 4.320 -0.000 0.000 0.261 32 A C 1.342 178.885 177.584 -0.068 0.000 1.101 32 A CA 0.589 52.582 52.037 -0.073 0.000 0.772 32 A CB -1.367 17.598 19.000 -0.058 0.000 1.043 32 A HN 0.919 nan 8.150 nan 0.000 0.501 33 G N 0.985 109.760 108.800 -0.042 0.000 2.176 33 G HA2 0.162 4.122 3.960 -0.000 0.000 0.232 33 G HA3 0.162 4.122 3.960 -0.000 0.000 0.232 33 G C 0.590 175.482 174.900 -0.012 0.000 0.986 33 G CA 0.267 45.352 45.100 -0.025 0.000 0.643 33 G HN 2.075 nan 8.290 nan 0.000 0.522 34 A N -0.093 122.717 122.820 -0.018 0.000 2.366 34 A HA 0.616 4.936 4.320 -0.000 0.000 0.249 34 A C 0.394 178.001 177.584 0.039 0.000 1.084 34 A CA 0.560 52.610 52.037 0.021 0.000 0.794 34 A CB 0.300 19.320 19.000 0.033 0.000 1.034 34 A HN 0.952 nan 8.150 nan 0.000 0.491 35 N N 1.001 119.741 118.700 0.066 0.000 2.483 35 N HA 0.457 5.197 4.740 -0.000 0.000 0.267 35 N C -1.703 173.884 175.510 0.128 0.000 0.998 35 N CA -0.536 52.562 53.050 0.080 0.000 0.918 35 N CB 0.818 39.337 38.487 0.054 0.000 1.215 35 N HN 0.503 nan 8.380 nan 0.000 0.500 36 L N 3.801 125.136 121.223 0.187 0.000 2.313 36 L HA 0.766 5.106 4.340 -0.000 0.000 0.283 36 L C -1.059 176.052 176.870 0.401 0.000 1.013 36 L CA -0.399 54.592 54.840 0.252 0.000 0.816 36 L CB 1.381 43.523 42.059 0.139 0.000 1.236 36 L HN 0.620 nan 8.230 nan 0.000 0.419 37 A N 5.438 128.465 122.820 0.347 0.000 2.343 37 A HA 0.808 5.128 4.320 -0.000 0.000 0.316 37 A C -1.732 176.017 177.584 0.276 0.000 1.104 37 A CA -0.484 51.757 52.037 0.339 0.000 0.768 37 A CB 1.295 20.455 19.000 0.267 0.000 1.213 37 A HN 0.758 nan 8.150 nan 0.000 0.456 38 L N 2.298 123.680 121.223 0.265 0.000 2.482 38 L HA 0.843 5.183 4.340 -0.000 0.000 0.263 38 L C -1.016 175.935 176.870 0.134 0.000 0.957 38 L CA -0.291 54.664 54.840 0.192 0.000 0.836 38 L CB 1.897 44.089 42.059 0.221 0.000 1.324 38 L HN 0.854 nan 8.230 nan 0.000 0.406 39 M N 4.944 124.595 119.600 0.086 0.000 2.378 39 M HA 0.756 5.236 4.480 -0.000 0.000 0.289 39 M C -2.043 174.310 176.300 0.087 0.000 1.136 39 M CA -0.567 54.773 55.300 0.066 0.000 0.917 39 M CB 2.122 34.740 32.600 0.029 0.000 1.669 39 M HN 0.405 nan 8.290 nan 0.000 0.461 40 V N 3.771 123.731 119.914 0.077 0.000 2.623 40 V HA 0.568 4.688 4.120 -0.000 0.000 0.304 40 V C -1.141 174.997 176.094 0.073 0.000 1.054 40 V CA -0.516 61.844 62.300 0.101 0.000 0.882 40 V CB 1.966 33.825 31.823 0.060 0.000 1.002 40 V HN 0.888 nan 8.190 nan 0.000 0.424 41 Q N 3.096 122.950 119.800 0.089 0.000 2.281 41 Q HA 0.388 4.728 4.340 -0.000 0.000 0.263 41 Q C -0.784 175.268 176.000 0.086 0.000 0.989 41 Q CA -0.753 55.092 55.803 0.069 0.000 0.852 41 Q CB 2.197 30.968 28.738 0.055 0.000 1.337 41 Q HN 0.749 nan 8.270 nan 0.000 0.418 42 K N 2.153 122.594 120.400 0.068 0.000 2.527 42 K HA 0.052 4.372 4.320 -0.000 0.000 0.278 42 K C -0.582 176.065 176.600 0.079 0.000 0.981 42 K CA -0.103 56.227 56.287 0.071 0.000 1.009 42 K CB 0.543 33.069 32.500 0.043 0.000 0.895 42 K HN 0.477 nan 8.250 nan 0.000 0.493 43 V N 4.282 124.252 119.914 0.094 0.000 2.509 43 V HA 0.043 4.163 4.120 -0.000 0.000 0.297 43 V C 1.436 177.555 176.094 0.043 0.000 1.014 43 V CA 1.658 64.009 62.300 0.085 0.000 1.127 43 V CB 0.237 32.105 31.823 0.075 0.000 0.925 43 V HN 1.167 nan 8.190 nan 0.000 0.480 44 G N 3.802 112.626 108.800 0.039 0.000 2.176 44 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.253 44 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.253 44 G C 0.395 175.309 174.900 0.023 0.000 0.979 44 G CA 0.208 45.319 45.100 0.020 0.000 0.641 44 G HN 1.470 nan 8.290 nan 0.000 0.530 45 A N 0.198 123.036 122.820 0.031 0.000 2.304 45 A HA 0.776 5.096 4.320 -0.000 0.000 0.271 45 A C 1.469 179.071 177.584 0.029 0.000 1.091 45 A CA 1.011 53.064 52.037 0.027 0.000 0.812 45 A CB 0.724 19.741 19.000 0.028 0.000 1.056 45 A HN 1.350 nan 8.150 nan 0.000 0.489 46 S N -0.118 115.596 115.700 0.024 0.000 2.517 46 S HA 0.467 4.937 4.470 -0.000 0.000 0.214 46 S C 0.623 175.237 174.600 0.023 0.000 0.991 46 S CA 0.415 58.630 58.200 0.024 0.000 0.906 46 S CB 0.011 63.224 63.200 0.021 0.000 0.789 46 S HN 1.395 nan 8.310 nan 0.000 0.513 47 A N 3.046 125.879 122.820 0.021 0.000 2.342 47 A HA 0.768 5.087 4.320 -0.000 0.000 0.323 47 A C -2.861 174.736 177.584 0.022 0.000 1.125 47 A CA -1.967 50.082 52.037 0.019 0.000 0.785 47 A CB 0.840 19.848 19.000 0.014 0.000 1.221 47 A HN 0.192 nan 8.150 nan 0.000 0.463 48 P HA 0.342 nan 4.420 nan 0.000 0.278 48 P C 0.598 177.910 177.300 0.021 0.000 1.238 48 P CA 0.075 63.191 63.100 0.027 0.000 0.794 48 P CB 1.644 33.361 31.700 0.028 0.000 0.955 49 A N 3.367 126.200 122.820 0.021 0.000 1.898 49 A HA 0.098 4.418 4.320 -0.000 0.000 0.214 49 A C 1.164 178.752 177.584 0.007 0.000 1.183 49 A CA 0.967 53.010 52.037 0.010 0.000 0.622 49 A CB -0.503 18.500 19.000 0.005 0.000 0.824 49 A HN 0.563 nan 8.150 nan 0.000 0.444 50 I N -0.060 120.518 120.570 0.014 0.000 2.465 50 I HA 0.370 4.540 4.170 -0.000 0.000 0.291 50 I C -1.412 174.731 176.117 0.043 0.000 1.014 50 I CA -0.561 60.751 61.300 0.019 0.000 1.093 50 I CB 2.118 40.115 38.000 -0.005 0.000 1.267 50 I HN 0.072 nan 8.210 nan 0.000 0.431 51 D N 5.628 126.063 120.400 0.057 0.000 2.323 51 D HA 0.187 4.827 4.640 -0.000 0.000 0.242 51 D C -1.830 174.517 176.300 0.078 0.000 1.347 51 D CA -0.251 53.783 54.000 0.057 0.000 0.988 51 D CB 0.752 41.566 40.800 0.024 0.000 1.314 51 D HN 0.334 nan 8.370 nan 0.000 0.564 52 Y N 4.567 124.842 120.300 -0.041 0.000 2.426 52 Y HA 0.306 4.856 4.550 -0.000 0.000 0.325 52 Y C -0.082 175.799 175.900 -0.032 0.000 0.989 52 Y CA -0.499 57.536 58.100 -0.108 0.000 1.284 52 Y CB 0.267 38.701 38.460 -0.043 0.000 1.104 52 Y HN 0.425 nan 8.280 nan 0.000 0.481 53 H N 2.259 121.162 119.070 -0.279 0.000 2.741 53 H HA -0.206 4.350 4.556 -0.000 0.000 0.305 53 H C 1.523 176.833 175.328 -0.030 0.000 1.169 53 H CA 1.033 56.966 56.048 -0.191 0.000 1.144 53 H CB -1.447 28.154 29.762 -0.267 0.000 1.397 53 H HN 0.655 nan 8.280 nan 0.000 0.409 54 S N -1.220 114.521 115.700 0.068 0.000 2.474 54 S HA -0.125 4.345 4.470 -0.000 0.000 0.235 54 S C 1.796 176.436 174.600 0.066 0.000 0.997 54 S CA 1.299 59.541 58.200 0.070 0.000 0.949 54 S CB 0.230 63.456 63.200 0.043 0.000 0.766 54 S HN 0.449 nan 8.310 nan 0.000 0.517 55 Q N 0.944 120.782 119.800 0.064 0.000 2.424 55 Q HA 0.250 4.590 4.340 -0.000 0.000 0.204 55 Q C 0.807 176.846 176.000 0.065 0.000 0.933 55 Q CA 0.157 55.994 55.803 0.056 0.000 0.929 55 Q CB 0.084 28.847 28.738 0.043 0.000 1.037 55 Q HN 0.779 nan 8.270 nan 0.000 0.511 56 Q N 0.513 120.361 119.800 0.080 0.000 2.288 56 Q HA 0.207 4.547 4.340 -0.000 0.000 0.258 56 Q C -0.751 175.303 176.000 0.091 0.000 0.957 56 Q CA -0.147 55.693 55.803 0.062 0.000 0.919 56 Q CB 0.691 29.449 28.738 0.033 0.000 1.185 56 Q HN 0.213 nan 8.270 nan 0.000 0.408 57 M N 2.543 122.184 119.600 0.069 0.000 2.242 57 M HA 0.460 4.940 4.480 -0.000 0.000 0.344 57 M C -0.430 175.914 176.300 0.073 0.000 1.140 57 M CA -0.023 55.328 55.300 0.083 0.000 1.160 57 M CB 1.303 33.936 32.600 0.055 0.000 1.491 57 M HN 0.802 nan 8.290 nan 0.000 0.459 58 A N 2.366 125.230 122.820 0.072 0.000 2.569 58 A HA 0.728 5.048 4.320 -0.000 0.000 0.290 58 A C -1.644 175.861 177.584 -0.131 0.000 1.136 58 A CA -0.833 51.200 52.037 -0.007 0.000 0.710 58 A CB 1.100 20.127 19.000 0.045 0.000 1.303 58 A HN 0.711 nan 8.150 nan 0.000 0.413 59 L N 2.044 123.165 121.223 -0.169 0.000 2.433 59 L HA 0.376 4.716 4.340 -0.000 0.000 0.275 59 L C -1.307 175.307 176.870 -0.427 0.000 1.128 59 L CA -1.183 53.535 54.840 -0.204 0.000 0.875 59 L CB 0.752 42.730 42.059 -0.135 0.000 1.171 59 L HN 0.525 nan 8.230 nan 0.000 0.463 60 P HA 0.050 nan 4.420 nan 0.000 0.230 60 P C 0.692 177.830 177.300 -0.269 0.000 1.168 60 P CA 1.028 63.813 63.100 -0.524 0.000 0.793 60 P CB 0.196 31.774 31.700 -0.203 0.000 0.851 61 A N 0.450 123.160 122.820 -0.184 0.000 5.695 61 A HA -0.268 4.052 4.320 -0.000 0.000 0.297 61 A C 1.791 179.323 177.584 -0.087 0.000 1.947 61 A CA 1.660 53.616 52.037 -0.136 0.000 0.717 61 A CB -2.388 16.522 19.000 -0.150 0.000 1.252 61 A HN 0.186 nan 8.150 nan 0.000 0.378 62 S N 0.309 115.963 115.700 -0.077 0.000 2.547 62 S HA 0.002 4.472 4.470 -0.000 0.000 0.235 62 S C 1.864 176.471 174.600 0.012 0.000 0.980 62 S CA 1.869 60.046 58.200 -0.039 0.000 0.941 62 S CB -0.788 62.380 63.200 -0.053 0.000 0.763 62 S HN 1.613 nan 8.310 nan 0.000 0.532 63 T N -0.549 114.025 114.554 0.033 0.000 3.007 63 T HA -0.111 4.239 4.350 -0.000 0.000 0.270 63 T C 1.594 176.354 174.700 0.100 0.000 1.107 63 T CA 1.046 63.202 62.100 0.094 0.000 1.118 63 T CB -0.308 68.681 68.868 0.202 0.000 0.889 63 T HN 0.233 nan 8.240 nan 0.000 0.506 64 Q N 1.658 121.497 119.800 0.066 0.000 2.234 64 Q HA -0.049 4.291 4.340 -0.000 0.000 0.206 64 Q C 2.093 178.157 176.000 0.107 0.000 0.980 64 Q CA 1.536 57.386 55.803 0.078 0.000 0.869 64 Q CB -0.436 28.322 28.738 0.035 0.000 0.912 64 Q HN 0.630 nan 8.270 nan 0.000 0.436 65 K N -1.022 119.436 120.400 0.097 0.000 2.280 65 K HA -0.092 4.228 4.320 -0.000 0.000 0.202 65 K C 1.828 178.529 176.600 0.169 0.000 1.047 65 K CA 1.117 57.475 56.287 0.118 0.000 0.942 65 K CB 0.018 32.568 32.500 0.083 0.000 0.739 65 K HN 0.089 nan 8.250 nan 0.000 0.457 66 V N 1.640 121.667 119.914 0.188 0.000 2.295 66 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 66 V C 2.132 178.392 176.094 0.278 0.000 1.049 66 V CA 1.664 64.140 62.300 0.293 0.000 1.024 66 V CB -0.351 31.585 31.823 0.187 0.000 0.648 66 V HN 0.278 nan 8.190 nan 0.000 0.447 67 I N -0.028 120.652 120.570 0.183 0.000 2.226 67 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 67 I C 2.560 178.791 176.117 0.190 0.000 1.100 67 I CA 1.833 63.229 61.300 0.160 0.000 1.374 67 I CB -0.597 37.485 38.000 0.136 0.000 1.057 67 I HN 0.333 nan 8.210 nan 0.000 0.413 68 T N 0.786 115.467 114.554 0.211 0.000 2.720 68 T HA -0.202 4.148 4.350 -0.000 0.000 0.268 68 T C 2.031 176.845 174.700 0.191 0.000 1.037 68 T CA 1.545 63.783 62.100 0.230 0.000 1.144 68 T CB -0.351 68.663 68.868 0.245 0.000 0.864 68 T HN 0.488 nan 8.240 nan 0.000 0.444 69 A N 1.124 124.067 122.820 0.206 0.000 1.898 69 A HA 0.024 4.344 4.320 -0.000 0.000 0.216 69 A C 2.253 180.000 177.584 0.272 0.000 1.181 69 A CA 1.262 53.399 52.037 0.166 0.000 0.620 69 A CB -0.776 18.258 19.000 0.057 0.000 0.819 69 A HN 0.404 nan 8.150 nan 0.000 0.442 70 L N -0.171 121.296 121.223 0.408 0.000 2.017 70 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 70 L C 2.643 179.602 176.870 0.149 0.000 1.073 70 L CA 2.302 57.338 54.840 0.327 0.000 0.745 70 L CB -0.813 41.357 42.059 0.185 0.000 0.894 70 L HN 0.321 nan 8.230 nan 0.000 0.432 71 A N -0.516 122.363 122.820 0.098 0.000 1.933 71 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 71 A C 2.431 180.013 177.584 -0.003 0.000 1.175 71 A CA 1.731 53.781 52.037 0.022 0.000 0.628 71 A CB -1.125 17.884 19.000 0.014 0.000 0.814 71 A HN 0.597 nan 8.150 nan 0.000 0.444 72 A N -0.318 122.519 122.820 0.029 0.000 1.898 72 A HA 0.007 4.327 4.320 -0.000 0.000 0.216 72 A C 2.150 179.726 177.584 -0.013 0.000 1.181 72 A CA 1.410 53.435 52.037 -0.021 0.000 0.620 72 A CB -0.517 18.493 19.000 0.017 0.000 0.819 72 A HN 0.466 nan 8.150 nan 0.000 0.442 73 L N -0.657 120.600 121.223 0.056 0.000 2.093 73 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 73 L C 2.442 179.348 176.870 0.060 0.000 1.085 73 L CA 0.990 55.882 54.840 0.086 0.000 0.755 73 L CB -0.440 41.716 42.059 0.163 0.000 0.904 73 L HN 0.373 nan 8.230 nan 0.000 0.435 74 I N -0.606 119.989 120.570 0.041 0.000 2.202 74 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 74 I C 2.640 178.734 176.117 -0.038 0.000 1.091 74 I CA 1.152 62.455 61.300 0.005 0.000 1.368 74 I CB -0.116 37.870 38.000 -0.024 0.000 1.058 74 I HN 0.285 nan 8.210 nan 0.000 0.410 75 Q N 1.043 120.796 119.800 -0.079 0.000 2.033 75 Q HA -0.032 4.308 4.340 -0.000 0.000 0.196 75 Q C 2.021 177.938 176.000 -0.138 0.000 0.970 75 Q CA 1.647 57.372 55.803 -0.130 0.000 0.828 75 Q CB -0.046 28.578 28.738 -0.189 0.000 0.895 75 Q HN 0.448 nan 8.270 nan 0.000 0.440 76 L N -1.139 119.984 121.223 -0.166 0.000 2.298 76 L HA 0.342 4.682 4.340 -0.000 0.000 0.209 76 L C 0.928 177.787 176.870 -0.018 0.000 1.084 76 L CA 0.190 54.907 54.840 -0.205 0.000 0.816 76 L CB -0.286 41.466 42.059 -0.512 0.000 0.967 76 L HN 0.390 nan 8.230 nan 0.000 0.460 77 G N 0.507 109.314 108.800 0.012 0.000 2.733 77 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.686 77 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.686 77 G C -2.194 172.780 174.900 0.124 0.000 1.373 77 G CA -0.339 44.805 45.100 0.073 0.000 0.838 77 G HN 0.026 nan 8.290 nan 0.000 0.588 78 P HA 0.049 nan 4.420 nan 0.000 0.226 78 P C 0.544 177.941 177.300 0.162 0.000 1.153 78 P CA 1.428 64.640 63.100 0.186 0.000 0.777 78 P CB 0.221 32.025 31.700 0.173 0.000 0.794 79 D N -1.238 119.239 120.400 0.128 0.000 2.369 79 D HA 0.052 4.692 4.640 -0.000 0.000 0.211 79 D C 0.549 176.904 176.300 0.092 0.000 1.077 79 D CA -0.402 53.653 54.000 0.091 0.000 0.842 79 D CB -0.328 40.503 40.800 0.052 0.000 0.947 79 D HN 0.158 nan 8.370 nan 0.000 0.509 80 F N 2.543 122.485 119.950 -0.014 0.000 2.629 80 F HA 0.007 4.533 4.527 -0.000 0.000 0.369 80 F C 0.405 176.168 175.800 -0.063 0.000 1.125 80 F CA 0.251 58.212 58.000 -0.064 0.000 1.330 80 F CB 0.452 39.383 39.000 -0.114 0.000 1.071 80 F HN -0.342 nan 8.300 nan 0.000 0.595 81 R N 5.353 125.238 120.500 -1.026 0.000 2.686 81 R HA 0.362 4.702 4.340 -0.000 0.000 0.283 81 R C -1.343 174.326 176.300 -1.051 0.000 0.978 81 R CA -1.009 54.678 56.100 -0.689 0.000 0.897 81 R CB 1.530 31.652 30.300 -0.297 0.000 1.192 81 R HN 0.495 nan 8.270 nan 0.000 0.457 82 F N 0.718 120.423 119.950 -0.409 0.000 2.506 82 F HA 0.165 4.692 4.527 -0.000 0.000 0.351 82 F C 0.890 176.577 175.800 -0.187 0.000 1.136 82 F CA 0.728 58.615 58.000 -0.188 0.000 1.298 82 F CB 1.027 40.045 39.000 0.031 0.000 1.145 82 F HN 0.264 nan 8.300 nan 0.000 0.593 83 T N 1.298 115.864 114.554 0.019 0.000 2.886 83 T HA 0.526 4.876 4.350 -0.000 0.000 0.292 83 T C -0.648 174.029 174.700 -0.039 0.000 1.012 83 T CA -0.819 61.256 62.100 -0.041 0.000 0.982 83 T CB 1.686 70.498 68.868 -0.094 0.000 1.018 83 T HN 0.477 nan 8.240 nan 0.000 0.451 84 T N 2.569 117.071 114.554 -0.087 0.000 2.861 84 T HA 0.782 5.132 4.350 -0.000 0.000 0.287 84 T C -0.285 174.299 174.700 -0.192 0.000 1.003 84 T CA -0.845 61.141 62.100 -0.189 0.000 0.977 84 T CB 1.701 70.428 68.868 -0.235 0.000 0.996 84 T HN 0.813 nan 8.240 nan 0.000 0.448 85 T N 0.463 114.878 114.554 -0.231 0.000 2.903 85 T HA 0.747 5.097 4.350 -0.000 0.000 0.299 85 T C -0.856 173.727 174.700 -0.194 0.000 1.093 85 T CA -0.989 61.008 62.100 -0.171 0.000 1.002 85 T CB 0.958 69.757 68.868 -0.115 0.000 1.127 85 T HN 0.398 nan 8.240 nan 0.000 0.488 86 L N 1.647 122.786 121.223 -0.141 0.000 2.282 86 L HA 0.608 4.948 4.340 -0.000 0.000 0.288 86 L C 0.115 176.936 176.870 -0.082 0.000 1.033 86 L CA -0.673 54.098 54.840 -0.116 0.000 0.807 86 L CB 1.354 43.355 42.059 -0.098 0.000 1.209 86 L HN 0.757 nan 8.230 nan 0.000 0.423 87 E N 1.209 121.367 120.200 -0.070 0.000 2.288 87 E HA 0.465 4.815 4.350 -0.000 0.000 0.268 87 E C -0.875 175.702 176.600 -0.038 0.000 0.885 87 E CA -0.736 55.634 56.400 -0.049 0.000 0.767 87 E CB 2.563 32.237 29.700 -0.044 0.000 1.220 87 E HN 0.577 nan 8.360 nan 0.000 0.427 88 T N -0.494 114.043 114.554 -0.028 0.000 2.823 88 T HA 0.516 4.866 4.350 -0.000 0.000 0.279 88 T C -0.386 174.306 174.700 -0.013 0.000 0.998 88 T CA -1.072 61.016 62.100 -0.019 0.000 0.994 88 T CB 1.120 69.980 68.868 -0.014 0.000 0.960 88 T HN 0.231 nan 8.240 nan 0.000 0.448 89 K N 2.018 122.413 120.400 -0.009 0.000 2.425 89 K HA 0.664 4.984 4.320 -0.000 0.000 0.259 89 K C 0.044 176.645 176.600 0.002 0.000 0.978 89 K CA -0.749 55.536 56.287 -0.003 0.000 0.883 89 K CB 1.564 34.062 32.500 -0.002 0.000 1.110 89 K HN 1.184 nan 8.250 nan 0.000 0.436 90 G N 2.155 110.956 108.800 0.002 0.000 2.357 90 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.643 90 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.643 90 G C -1.518 173.384 174.900 0.005 0.000 1.358 90 G CA -1.154 43.949 45.100 0.006 0.000 0.986 90 G HN 0.471 nan 8.290 nan 0.000 0.620 91 N N -0.929 117.775 118.700 0.006 0.000 2.524 91 N HA 0.491 5.231 4.740 -0.000 0.000 0.283 91 N C -0.090 175.424 175.510 0.007 0.000 1.142 91 N CA -0.307 52.746 53.050 0.005 0.000 0.984 91 N CB 2.032 40.523 38.487 0.005 0.000 1.155 91 N HN 0.456 nan 8.380 nan 0.000 0.467 92 V N 1.745 121.662 119.914 0.006 0.000 2.350 92 V HA 0.214 4.333 4.120 -0.000 0.000 0.276 92 V C 0.087 176.185 176.094 0.007 0.000 1.028 92 V CA -0.417 61.887 62.300 0.007 0.000 0.860 92 V CB 0.509 32.336 31.823 0.005 0.000 0.990 92 V HN 0.546 nan 8.190 nan 0.000 0.453 93 E N 3.941 124.146 120.200 0.009 0.000 2.185 93 E HA 0.388 4.738 4.350 -0.000 0.000 0.261 93 E C -0.227 176.378 176.600 0.008 0.000 0.879 93 E CA -0.687 55.718 56.400 0.007 0.000 0.756 93 E CB 0.894 30.599 29.700 0.008 0.000 1.152 93 E HN 0.701 nan 8.360 nan 0.000 0.416 94 N N 2.499 121.202 118.700 0.006 0.000 2.714 94 N HA -0.255 4.485 4.740 -0.000 0.000 0.252 94 N C 0.655 176.169 175.510 0.007 0.000 1.014 94 N CA 1.343 54.396 53.050 0.005 0.000 0.735 94 N CB -0.906 37.584 38.487 0.004 0.000 0.924 94 N HN 0.971 nan 8.380 nan 0.000 0.540 95 G N -3.221 105.584 108.800 0.008 0.000 2.179 95 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.260 95 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.260 95 G C 0.030 174.940 174.900 0.017 0.000 0.977 95 G CA 0.273 45.380 45.100 0.011 0.000 0.641 95 G HN 0.568 nan 8.290 nan 0.000 0.533 96 V N 2.208 122.132 119.914 0.017 0.000 2.350 96 V HA 0.499 4.619 4.120 -0.000 0.000 0.276 96 V C 0.925 177.033 176.094 0.023 0.000 1.028 96 V CA -0.776 61.538 62.300 0.024 0.000 0.860 96 V CB 1.743 33.579 31.823 0.022 0.000 0.990 96 V HN 0.361 nan 8.190 nan 0.000 0.453 97 L N 6.138 127.379 121.223 0.029 0.000 2.433 97 L HA 0.270 4.610 4.340 -0.000 0.000 0.275 97 L C 0.427 177.314 176.870 0.029 0.000 1.128 97 L CA -0.164 54.691 54.840 0.025 0.000 0.875 97 L CB 0.465 42.539 42.059 0.024 0.000 1.171 97 L HN 0.591 nan 8.230 nan 0.000 0.463 98 K N 5.301 125.714 120.400 0.022 0.000 2.180 98 K HA 0.457 4.776 4.320 -0.000 0.000 0.250 98 K C 0.172 176.784 176.600 0.020 0.000 1.135 98 K CA 0.030 56.331 56.287 0.022 0.000 1.037 98 K CB 0.804 33.315 32.500 0.017 0.000 1.624 98 K HN 0.933 nan 8.250 nan 0.000 0.382 99 G N 1.647 110.462 108.800 0.026 0.000 2.332 99 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.265 99 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.265 99 G C -1.818 173.095 174.900 0.022 0.000 1.329 99 G CA -0.834 44.279 45.100 0.021 0.000 0.949 99 G HN 0.298 nan 8.290 nan 0.000 0.476 100 D N -0.006 120.400 120.400 0.011 0.000 2.198 100 D HA 0.579 5.219 4.640 -0.000 0.000 0.247 100 D C -0.409 175.882 176.300 -0.014 0.000 1.010 100 D CA -0.321 53.680 54.000 0.001 0.000 0.880 100 D CB 2.373 43.173 40.800 -0.000 0.000 1.209 100 D HN 0.457 nan 8.370 nan 0.000 0.451 101 L N 1.877 123.079 121.223 -0.036 0.000 2.292 101 L HA 0.374 4.714 4.340 -0.000 0.000 0.284 101 L C -1.146 175.689 176.870 -0.060 0.000 1.065 101 L CA -0.381 54.426 54.840 -0.055 0.000 0.806 101 L CB 1.329 43.336 42.059 -0.087 0.000 1.175 101 L HN 0.090 nan 8.230 nan 0.000 0.431 102 V N 5.278 125.162 119.914 -0.050 0.000 2.409 102 V HA 0.714 4.834 4.120 -0.000 0.000 0.291 102 V C 0.198 176.256 176.094 -0.059 0.000 1.020 102 V CA -0.499 61.777 62.300 -0.039 0.000 0.848 102 V CB 1.256 33.064 31.823 -0.025 0.000 0.990 102 V HN 0.957 nan 8.190 nan 0.000 0.430 103 A N 5.481 128.277 122.820 -0.041 0.000 2.280 103 A HA 0.599 4.919 4.320 -0.000 0.000 0.320 103 A C 0.152 177.671 177.584 -0.109 0.000 1.366 103 A CA -0.496 51.475 52.037 -0.110 0.000 0.938 103 A CB 0.118 19.106 19.000 -0.021 0.000 1.157 103 A HN 0.809 nan 8.150 nan 0.000 0.536 104 R N 3.359 123.731 120.500 -0.214 0.000 2.204 104 R HA 0.472 4.812 4.340 -0.000 0.000 0.341 104 R C -1.451 174.699 176.300 -0.250 0.000 1.035 104 R CA -0.266 55.761 56.100 -0.123 0.000 0.887 104 R CB 0.191 30.439 30.300 -0.087 0.000 1.114 104 R HN 0.557 nan 8.270 nan 0.000 0.473 105 F N 1.075 120.993 119.950 -0.054 0.000 2.370 105 F HA 0.405 4.932 4.527 -0.000 0.000 0.324 105 F C 1.548 177.284 175.800 -0.107 0.000 1.116 105 F CA 0.076 58.040 58.000 -0.060 0.000 1.123 105 F CB 1.976 40.947 39.000 -0.049 0.000 1.238 105 F HN 0.672 nan 8.300 nan 0.000 0.536 106 G N 0.298 109.140 108.800 0.069 0.000 4.424 106 G HA2 0.428 4.388 3.960 -0.000 0.000 0.287 106 G HA3 0.428 4.388 3.960 -0.000 0.000 0.287 106 G C 0.387 175.322 174.900 0.058 0.000 1.023 106 G CA 0.056 45.151 45.100 -0.008 0.000 0.790 106 G HN 1.159 nan 8.290 nan 0.000 0.468 107 A N 0.383 123.182 122.820 -0.035 0.000 2.899 107 A HA -0.211 4.109 4.320 -0.000 0.000 0.257 107 A C 0.583 178.122 177.584 -0.074 0.000 1.335 107 A CA 0.895 52.919 52.037 -0.023 0.000 0.924 107 A CB -1.980 16.960 19.000 -0.101 0.000 1.105 107 A HN 0.595 nan 8.150 nan 0.000 0.765 108 D N 0.130 120.513 120.400 -0.028 0.000 2.389 108 D HA 0.259 4.899 4.640 -0.000 0.000 0.263 108 D C -0.403 175.742 176.300 -0.259 0.000 1.255 108 D CA -0.844 52.990 54.000 -0.276 0.000 0.914 108 D CB 0.778 41.592 40.800 0.023 0.000 1.116 108 D HN 0.346 nan 8.370 nan 0.000 0.502 109 P HA -0.053 nan 4.420 nan 0.000 0.237 109 P C 0.752 178.008 177.300 -0.073 0.000 1.178 109 P CA 0.731 63.723 63.100 -0.179 0.000 0.766 109 P CB 0.081 31.662 31.700 -0.197 0.000 0.876 110 T N -4.078 110.434 114.554 -0.071 0.000 3.054 110 T HA 0.202 4.552 4.350 -0.000 0.000 0.255 110 T C 0.517 175.235 174.700 0.030 0.000 1.035 110 T CA -0.489 61.609 62.100 -0.003 0.000 0.941 110 T CB -0.642 68.230 68.868 0.007 0.000 1.026 110 T HN -0.136 nan 8.240 nan 0.000 0.533 111 L N 2.415 123.663 121.223 0.042 0.000 2.490 111 L HA 0.359 4.699 4.340 -0.000 0.000 0.274 111 L C -0.051 176.878 176.870 0.098 0.000 1.201 111 L CA 0.622 55.508 54.840 0.077 0.000 0.869 111 L CB 0.300 42.429 42.059 0.117 0.000 1.123 111 L HN 0.149 nan 8.230 nan 0.000 0.484 112 K N 4.034 124.485 120.400 0.085 0.000 2.350 112 K HA 0.423 4.743 4.320 -0.000 0.000 0.241 112 K C 0.794 177.444 176.600 0.083 0.000 0.994 112 K CA -0.932 55.407 56.287 0.086 0.000 0.839 112 K CB 1.740 34.273 32.500 0.055 0.000 1.244 112 K HN 0.467 nan 8.250 nan 0.000 0.443 113 R N 0.770 121.315 120.500 0.075 0.000 2.096 113 R HA -0.192 4.147 4.340 -0.000 0.000 0.240 113 R C 1.996 178.312 176.300 0.028 0.000 1.139 113 R CA 1.704 57.833 56.100 0.048 0.000 0.952 113 R CB -0.046 30.248 30.300 -0.010 0.000 0.854 113 R HN 0.524 nan 8.270 nan 0.000 0.436 114 Q N 0.487 120.291 119.800 0.006 0.000 2.112 114 Q HA -0.214 4.126 4.340 -0.000 0.000 0.206 114 Q C 1.597 177.604 176.000 0.011 0.000 0.987 114 Q CA 1.565 57.369 55.803 0.002 0.000 0.858 114 Q CB -0.245 28.490 28.738 -0.006 0.000 0.905 114 Q HN 0.437 nan 8.270 nan 0.000 0.420 115 D N 0.341 120.753 120.400 0.020 0.000 2.123 115 D HA -0.127 4.513 4.640 -0.000 0.000 0.196 115 D C 2.019 178.324 176.300 0.008 0.000 0.992 115 D CA 0.880 54.888 54.000 0.013 0.000 0.833 115 D CB -0.244 40.568 40.800 0.020 0.000 0.954 115 D HN 0.292 nan 8.370 nan 0.000 0.455 116 I N 0.607 121.195 120.570 0.031 0.000 2.252 116 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 116 I C 2.686 178.812 176.117 0.016 0.000 1.102 116 I CA 0.728 62.045 61.300 0.029 0.000 1.385 116 I CB -0.164 37.883 38.000 0.078 0.000 1.064 116 I HN -0.096 nan 8.210 nan 0.000 0.414 117 R N 1.190 121.705 120.500 0.025 0.000 2.096 117 R HA -0.213 4.127 4.340 -0.000 0.000 0.240 117 R C 2.127 178.426 176.300 -0.001 0.000 1.139 117 R CA 2.065 58.175 56.100 0.016 0.000 0.952 117 R CB -0.173 30.139 30.300 0.021 0.000 0.854 117 R HN 0.366 nan 8.270 nan 0.000 0.436 118 N N 0.265 118.962 118.700 -0.005 0.000 2.142 118 N HA -0.157 4.583 4.740 -0.000 0.000 0.186 118 N C 1.797 177.296 175.510 -0.020 0.000 1.023 118 N CA 1.577 54.620 53.050 -0.012 0.000 0.852 118 N CB -0.221 38.260 38.487 -0.011 0.000 0.998 118 N HN 0.321 nan 8.380 nan 0.000 0.424 119 M N 0.193 119.778 119.600 -0.026 0.000 2.117 119 M HA -0.111 4.369 4.480 -0.000 0.000 0.262 119 M C 1.981 178.259 176.300 -0.037 0.000 1.065 119 M CA 1.075 56.351 55.300 -0.040 0.000 1.114 119 M CB -0.115 32.448 32.600 -0.062 0.000 1.361 119 M HN -0.083 nan 8.290 nan 0.000 0.408 120 V N 0.202 120.099 119.914 -0.029 0.000 2.343 120 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 120 V C 2.587 178.669 176.094 -0.020 0.000 1.051 120 V CA 1.922 64.206 62.300 -0.026 0.000 1.036 120 V CB -1.161 30.650 31.823 -0.020 0.000 0.654 120 V HN 0.526 nan 8.190 nan 0.000 0.451 121 A N -0.223 122.587 122.820 -0.018 0.000 1.908 121 A HA -0.269 4.050 4.320 -0.000 0.000 0.218 121 A C 2.402 179.977 177.584 -0.016 0.000 1.181 121 A CA 2.706 54.734 52.037 -0.015 0.000 0.627 121 A CB -1.040 17.952 19.000 -0.014 0.000 0.818 121 A HN 0.507 nan 8.150 nan 0.000 0.445 122 T N -0.007 114.536 114.554 -0.019 0.000 2.746 122 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 122 T C 1.842 176.530 174.700 -0.020 0.000 1.039 122 T CA 1.465 63.553 62.100 -0.020 0.000 1.142 122 T CB -0.402 68.451 68.868 -0.025 0.000 0.866 122 T HN 0.362 nan 8.240 nan 0.000 0.444 123 L N 1.600 122.809 121.223 -0.023 0.000 2.012 123 L HA -0.069 4.271 4.340 -0.000 0.000 0.210 123 L C 2.288 179.151 176.870 -0.011 0.000 1.073 123 L CA 1.987 56.815 54.840 -0.020 0.000 0.748 123 L CB -0.676 41.368 42.059 -0.026 0.000 0.891 123 L HN 0.032 nan 8.230 nan 0.000 0.431 124 K N 0.242 120.637 120.400 -0.008 0.000 2.009 124 K HA -0.267 4.053 4.320 -0.000 0.000 0.210 124 K C 2.323 178.920 176.600 -0.004 0.000 1.049 124 K CA 2.186 58.471 56.287 -0.002 0.000 0.929 124 K CB -0.449 32.050 32.500 -0.003 0.000 0.714 124 K HN 0.361 nan 8.250 nan 0.000 0.440 125 K N 0.175 120.571 120.400 -0.008 0.000 2.152 125 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 125 K C 1.729 178.325 176.600 -0.007 0.000 1.048 125 K CA 1.625 57.907 56.287 -0.008 0.000 0.933 125 K CB -0.254 32.240 32.500 -0.010 0.000 0.721 125 K HN 0.363 nan 8.250 nan 0.000 0.447 126 S N -1.041 114.654 115.700 -0.009 0.000 2.547 126 S HA 0.022 4.492 4.470 -0.000 0.000 0.235 126 S C 1.184 175.781 174.600 -0.005 0.000 0.980 126 S CA 0.821 59.016 58.200 -0.008 0.000 0.941 126 S CB -0.008 63.186 63.200 -0.011 0.000 0.763 126 S HN 0.540 nan 8.310 nan 0.000 0.532 127 G N -0.444 108.355 108.800 -0.003 0.000 2.154 127 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.186 127 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.186 127 G C -0.142 174.761 174.900 0.005 0.000 1.000 127 G CA -0.182 44.919 45.100 0.001 0.000 0.664 127 G HN 0.670 nan 8.290 nan 0.000 0.513 128 V N 1.779 121.697 119.914 0.006 0.000 2.364 128 V HA 0.390 4.509 4.120 -0.000 0.000 0.272 128 V C 0.680 176.787 176.094 0.021 0.000 1.036 128 V CA -0.403 61.905 62.300 0.014 0.000 0.880 128 V CB 1.407 33.237 31.823 0.012 0.000 0.991 128 V HN 0.294 nan 8.190 nan 0.000 0.460 129 N N 3.378 122.094 118.700 0.026 0.000 2.250 129 N HA 0.110 4.850 4.740 -0.000 0.000 0.190 129 N C 0.231 175.772 175.510 0.051 0.000 1.116 129 N CA 0.173 53.241 53.050 0.031 0.000 0.881 129 N CB 1.075 39.574 38.487 0.019 0.000 1.006 129 N HN 0.778 nan 8.380 nan 0.000 0.491 130 Q N 0.352 120.188 119.800 0.060 0.000 2.438 130 Q HA 0.400 4.740 4.340 -0.000 0.000 0.272 130 Q C -1.968 174.087 176.000 0.091 0.000 0.994 130 Q CA -0.403 55.448 55.803 0.080 0.000 0.887 130 Q CB 1.667 30.434 28.738 0.048 0.000 1.432 130 Q HN -0.002 nan 8.270 nan 0.000 0.392 131 I N 2.923 123.578 120.570 0.142 0.000 2.382 131 I HA 0.219 4.389 4.170 -0.000 0.000 0.285 131 I C -0.746 175.451 176.117 0.133 0.000 1.007 131 I CA -0.581 60.797 61.300 0.129 0.000 1.142 131 I CB 1.617 39.704 38.000 0.145 0.000 1.289 131 I HN 0.558 nan 8.210 nan 0.000 0.453 132 D N 6.072 126.522 120.400 0.084 0.000 2.558 132 D HA 0.545 5.184 4.640 -0.000 0.000 0.221 132 D C 0.170 176.513 176.300 0.071 0.000 1.143 132 D CA 0.341 54.383 54.000 0.071 0.000 1.010 132 D CB 0.167 40.994 40.800 0.046 0.000 1.068 132 D HN 0.760 nan 8.370 nan 0.000 0.511 133 G N 1.638 110.498 108.800 0.100 0.000 2.323 133 G HA2 0.104 4.064 3.960 -0.000 0.000 0.291 133 G HA3 0.104 4.064 3.960 -0.000 0.000 0.291 133 G C -1.125 173.843 174.900 0.114 0.000 1.278 133 G CA -1.080 44.070 45.100 0.084 0.000 0.860 133 G HN 0.378 nan 8.290 nan 0.000 0.504 134 N N -1.704 117.035 118.700 0.066 0.000 2.476 134 N HA 0.608 5.348 4.740 -0.000 0.000 0.276 134 N C -0.810 174.671 175.510 -0.048 0.000 1.204 134 N CA -0.631 52.445 53.050 0.043 0.000 0.974 134 N CB 2.450 40.958 38.487 0.034 0.000 1.204 134 N HN 0.306 nan 8.380 nan 0.000 0.543 135 V N 1.958 121.788 119.914 -0.141 0.000 2.357 135 V HA 0.329 4.449 4.120 -0.000 0.000 0.284 135 V C -0.486 175.539 176.094 -0.115 0.000 1.018 135 V CA -0.614 61.552 62.300 -0.222 0.000 0.841 135 V CB 0.718 32.236 31.823 -0.507 0.000 0.991 135 V HN 0.428 nan 8.190 nan 0.000 0.437 136 L N 5.721 126.906 121.223 -0.063 0.000 2.296 136 L HA 0.561 4.901 4.340 -0.000 0.000 0.286 136 L C -0.627 176.258 176.870 0.025 0.000 1.023 136 L CA -0.646 54.186 54.840 -0.012 0.000 0.812 136 L CB 1.685 43.743 42.059 -0.001 0.000 1.223 136 L HN 0.402 nan 8.230 nan 0.000 0.421 137 I N 2.906 123.506 120.570 0.051 0.000 2.291 137 I HA 0.180 4.350 4.170 -0.000 0.000 0.290 137 I C -0.064 176.126 176.117 0.120 0.000 1.050 137 I CA -0.058 61.317 61.300 0.124 0.000 1.245 137 I CB 0.885 38.921 38.000 0.059 0.000 1.405 137 I HN 0.549 nan 8.210 nan 0.000 0.478 138 D N 5.435 125.944 120.400 0.181 0.000 2.329 138 D HA 0.226 4.866 4.640 -0.000 0.000 0.232 138 D C 0.602 176.988 176.300 0.144 0.000 1.088 138 D CA -0.098 53.973 54.000 0.117 0.000 0.835 138 D CB 1.440 42.281 40.800 0.069 0.000 1.078 138 D HN 0.593 nan 8.370 nan 0.000 0.495 139 T N -0.459 114.141 114.554 0.078 0.000 3.252 139 T HA 0.045 4.394 4.350 -0.000 0.000 0.286 139 T C 1.414 176.125 174.700 0.019 0.000 1.013 139 T CA -0.051 62.075 62.100 0.045 0.000 0.914 139 T CB -0.247 68.640 68.868 0.032 0.000 1.131 139 T HN 0.205 nan 8.240 nan 0.000 0.529 140 S N 0.915 116.627 115.700 0.020 0.000 2.500 140 S HA -0.039 4.431 4.470 -0.000 0.000 0.239 140 S C 1.729 176.331 174.600 0.002 0.000 0.989 140 S CA 0.269 58.484 58.200 0.025 0.000 0.951 140 S CB -0.759 62.459 63.200 0.031 0.000 0.759 140 S HN 0.482 nan 8.310 nan 0.000 0.523 141 I N 0.184 120.699 120.570 -0.092 0.000 2.423 141 I HA 0.139 4.309 4.170 -0.000 0.000 0.254 141 I C 0.348 176.451 176.117 -0.023 0.000 1.151 141 I CA 1.098 62.245 61.300 -0.255 0.000 1.421 141 I CB -0.001 37.727 38.000 -0.455 0.000 1.079 141 I HN 0.336 nan 8.210 nan 0.000 0.431 142 F N -0.664 119.225 119.950 -0.102 0.000 2.611 142 F HA 0.675 5.202 4.527 -0.000 0.000 0.324 142 F C 0.201 175.971 175.800 -0.049 0.000 1.061 142 F CA -0.945 57.003 58.000 -0.087 0.000 0.954 142 F CB 1.502 40.455 39.000 -0.079 0.000 1.301 142 F HN -0.168 nan 8.300 nan 0.000 0.482 143 A N 1.070 123.961 122.820 0.119 0.000 2.583 143 A HA 0.715 5.035 4.320 -0.000 0.000 0.289 143 A C -0.259 177.318 177.584 -0.011 0.000 1.151 143 A CA -0.081 51.985 52.037 0.050 0.000 0.695 143 A CB 1.370 20.389 19.000 0.033 0.000 1.290 143 A HN 0.997 nan 8.150 nan 0.000 0.419 144 S N -1.105 114.568 115.700 -0.044 0.000 3.633 144 S HA -0.147 4.323 4.470 -0.000 0.000 0.637 144 S C -0.103 174.457 174.600 -0.066 0.000 2.289 144 S CA 0.386 58.504 58.200 -0.136 0.000 2.476 144 S CB -1.367 61.779 63.200 -0.090 0.000 0.330 144 S HN 1.322 nan 8.310 nan 0.000 1.787 145 H N 1.540 120.692 119.070 0.137 0.000 2.790 145 H HA 0.148 4.703 4.556 -0.000 0.000 0.358 145 H C 0.689 176.187 175.328 0.282 0.000 1.103 145 H CA 0.379 56.521 56.048 0.157 0.000 1.426 145 H CB 0.175 29.997 29.762 0.099 0.000 1.424 145 H HN 0.523 nan 8.280 nan 0.000 0.599 146 D N 2.016 122.639 120.400 0.372 0.000 2.319 146 D HA 0.038 4.678 4.640 -0.000 0.000 0.230 146 D C -0.059 176.489 176.300 0.414 0.000 1.094 146 D CA 0.548 54.787 54.000 0.398 0.000 0.856 146 D CB 0.528 41.503 40.800 0.293 0.000 0.915 146 D HN 0.377 nan 8.370 nan 0.000 0.517 147 K N 0.397 120.885 120.400 0.147 0.000 2.443 147 K HA 0.604 4.924 4.320 -0.000 0.000 0.252 147 K C -0.576 175.161 176.600 -1.439 0.000 0.933 147 K CA -0.657 55.265 56.287 -0.608 0.000 0.792 147 K CB 2.806 35.151 32.500 -0.260 0.000 1.185 147 K HN -0.143 nan 8.250 nan 0.000 0.425 148 A N 3.494 124.530 122.820 -2.975 0.000 2.332 148 A HA 0.430 4.750 4.320 -0.000 0.000 0.258 148 A C -2.219 174.464 177.584 -1.502 0.000 1.087 148 A CA -1.260 49.126 52.037 -2.752 0.000 0.802 148 A CB -0.383 16.987 19.000 -2.718 0.000 1.042 148 A HN 0.429 nan 8.150 nan 0.000 0.489 149 P HA 0.250 nan 4.420 nan 0.000 0.268 149 P C 0.798 177.655 177.300 -0.738 0.000 1.204 149 P CA 1.498 64.286 63.100 -0.520 0.000 0.768 149 P CB 0.745 32.354 31.700 -0.152 0.000 0.842 150 G N 0.972 109.312 108.800 -0.768 0.000 2.175 150 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.244 150 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.244 150 G C -0.472 174.314 174.900 -0.191 0.000 0.982 150 G CA -0.602 43.974 45.100 -0.873 0.000 0.641 150 G HN 0.340 nan 8.290 nan 0.000 0.527 151 W N 1.850 122.936 121.300 -0.356 0.000 2.266 151 W HA 0.550 5.210 4.660 -0.000 0.000 0.317 151 W C -1.834 174.595 176.519 -0.150 0.000 1.310 151 W CA -2.539 54.664 57.345 -0.237 0.000 1.207 151 W CB -0.272 29.043 29.460 -0.241 0.000 1.199 151 W HN 0.014 nan 8.180 nan 0.000 0.544 152 P HA -0.117 nan 4.420 nan 0.000 0.267 152 P C 1.284 178.562 177.300 -0.036 0.000 1.209 152 P CA -0.055 63.045 63.100 -0.000 0.000 0.763 152 P CB 0.274 31.922 31.700 -0.087 0.000 0.816 153 W N 5.725 127.028 121.300 0.006 0.000 2.350 153 W HA -0.254 4.406 4.660 -0.000 0.000 0.289 153 W C 0.643 177.154 176.519 -0.013 0.000 1.215 153 W CA 1.639 58.982 57.345 -0.004 0.000 1.236 153 W CB -1.644 27.805 29.460 -0.018 0.000 1.130 153 W HN 0.410 nan 8.180 nan 0.000 0.541 154 N N 0.362 118.076 118.700 -1.644 0.000 2.396 154 N HA -0.172 4.568 4.740 -0.000 0.000 0.180 154 N C 0.926 175.961 175.510 -0.791 0.000 1.028 154 N CA 1.581 53.522 53.050 -1.849 0.000 0.893 154 N CB -0.628 37.047 38.487 -1.352 0.000 0.967 154 N HN -0.068 nan 8.380 nan 0.000 0.440 155 D N -0.292 119.795 120.400 -0.520 0.000 2.339 155 D HA 0.021 4.661 4.640 -0.000 0.000 0.217 155 D C 1.153 177.200 176.300 -0.422 0.000 1.050 155 D CA 0.150 53.896 54.000 -0.424 0.000 0.856 155 D CB 0.069 40.674 40.800 -0.325 0.000 0.922 155 D HN 0.273 nan 8.370 nan 0.000 0.518 156 M N 0.515 119.958 119.600 -0.261 0.000 2.374 156 M HA -0.080 4.400 4.480 -0.000 0.000 0.264 156 M C 1.707 177.949 176.300 -0.096 0.000 1.067 156 M CA 1.089 56.317 55.300 -0.119 0.000 1.103 156 M CB -0.290 32.334 32.600 0.039 0.000 1.402 156 M HN -0.046 nan 8.290 nan 0.000 0.444 157 T N -2.767 111.728 114.554 -0.099 0.000 3.107 157 T HA 0.147 4.496 4.350 -0.000 0.000 0.249 157 T C 0.737 175.407 174.700 -0.049 0.000 1.096 157 T CA -0.159 61.947 62.100 0.011 0.000 1.012 157 T CB -0.088 68.819 68.868 0.064 0.000 0.977 157 T HN 0.232 nan 8.240 nan 0.000 0.527 158 Q N 0.127 119.757 119.800 -0.283 0.000 2.259 158 Q HA 0.278 4.618 4.340 -0.000 0.000 0.249 158 Q C 0.800 176.523 176.000 -0.462 0.000 0.914 158 Q CA -0.329 55.220 55.803 -0.423 0.000 0.904 158 Q CB 1.474 29.744 28.738 -0.779 0.000 1.213 158 Q HN 0.298 nan 8.270 nan 0.000 0.428 159 c N 1.557 119.970 118.600 -0.311 0.000 2.419 159 c HA -0.162 4.408 4.570 -0.000 0.000 0.281 159 c C 2.265 176.252 174.090 -0.171 0.000 1.336 159 c CA 0.478 56.681 56.329 -0.211 0.000 1.770 159 c CB -1.285 41.131 42.510 -0.157 0.000 1.929 159 c HN 0.900 nan 8.230 nan 0.000 0.509 160 F N 0.504 120.371 119.950 -0.137 0.000 2.451 160 F HA 0.043 4.570 4.527 -0.000 0.000 0.299 160 F C 1.842 177.512 175.800 -0.217 0.000 1.101 160 F CA 1.245 59.151 58.000 -0.157 0.000 1.436 160 F CB -0.735 38.166 39.000 -0.166 0.000 1.074 160 F HN 0.107 nan 8.300 nan 0.000 0.553 161 S N 0.096 115.455 115.700 -0.568 0.000 2.754 161 S HA 0.618 5.087 4.470 -0.000 0.000 0.247 161 S C 0.548 174.983 174.600 -0.275 0.000 1.031 161 S CA -0.219 57.673 58.200 -0.513 0.000 1.014 161 S CB -1.002 61.773 63.200 -0.707 0.000 0.918 161 S HN 0.531 nan 8.310 nan 0.000 0.519 162 A N 2.923 125.648 122.820 -0.157 0.000 2.546 162 A HA 0.414 4.734 4.320 -0.000 0.000 0.243 162 A C -2.500 175.160 177.584 0.127 0.000 1.063 162 A CA -0.731 51.295 52.037 -0.018 0.000 0.757 162 A CB -0.399 18.593 19.000 -0.013 0.000 0.991 162 A HN 0.364 nan 8.150 nan 0.000 0.503 163 P HA 0.085 nan 4.420 nan 0.000 0.258 163 P C -2.336 175.153 177.300 0.316 0.000 1.187 163 P CA -0.403 62.906 63.100 0.348 0.000 0.767 163 P CB 0.114 31.969 31.700 0.258 0.000 0.770 164 P HA 0.151 nan 4.420 nan 0.000 0.238 164 P C -0.265 177.252 177.300 0.360 0.000 1.794 164 P CA 0.014 63.327 63.100 0.355 0.000 1.088 164 P CB 0.048 32.007 31.700 0.431 0.000 1.923 165 A N 2.723 125.712 122.820 0.281 0.000 2.280 165 A HA 0.531 4.850 4.320 -0.000 0.000 0.268 165 A C 1.773 179.497 177.584 0.234 0.000 1.111 165 A CA 0.161 52.362 52.037 0.273 0.000 0.814 165 A CB 0.019 19.116 19.000 0.163 0.000 1.093 165 A HN 0.345 nan 8.150 nan 0.000 0.498 166 A N -0.234 122.677 122.820 0.151 0.000 1.933 166 A HA 0.328 4.648 4.320 -0.000 0.000 0.218 166 A C 1.393 178.969 177.584 -0.013 0.000 1.175 166 A CA 1.696 53.664 52.037 -0.116 0.000 0.628 166 A CB -0.729 18.156 19.000 -0.192 0.000 0.814 166 A HN 1.863 nan 8.150 nan 0.000 0.444 167 A N 0.147 122.920 122.820 -0.079 0.000 2.366 167 A HA 0.632 4.952 4.320 -0.000 0.000 0.322 167 A C -0.390 177.137 177.584 -0.095 0.000 1.397 167 A CA -0.295 51.559 52.037 -0.304 0.000 0.984 167 A CB -0.262 18.300 19.000 -0.731 0.000 1.149 167 A HN 0.330 nan 8.150 nan 0.000 0.540 168 I N 2.633 123.230 120.570 0.045 0.000 2.465 168 I HA 0.490 4.660 4.170 -0.000 0.000 0.291 168 I C -0.923 175.301 176.117 0.178 0.000 1.014 168 I CA -0.907 60.458 61.300 0.107 0.000 1.093 168 I CB 2.391 40.446 38.000 0.091 0.000 1.267 168 I HN 0.267 nan 8.210 nan 0.000 0.431 169 V N 4.185 124.242 119.914 0.238 0.000 2.569 169 V HA 0.308 4.428 4.120 -0.000 0.000 0.301 169 V C -0.570 175.704 176.094 0.301 0.000 1.044 169 V CA -0.690 61.773 62.300 0.272 0.000 0.874 169 V CB 1.567 33.565 31.823 0.291 0.000 1.002 169 V HN 0.835 nan 8.190 nan 0.000 0.424 170 D N 4.032 124.562 120.400 0.218 0.000 2.689 170 D HA -0.191 4.449 4.640 -0.000 0.000 0.237 170 D C 1.091 177.500 176.300 0.182 0.000 1.148 170 D CA 1.083 55.209 54.000 0.210 0.000 0.656 170 D CB -0.497 40.474 40.800 0.285 0.000 1.050 170 D HN 0.907 nan 8.370 nan 0.000 0.426 171 R N -1.459 119.118 120.500 0.130 0.000 4.000 171 R HA -0.275 4.065 4.340 -0.000 0.000 0.362 171 R C 0.103 176.442 176.300 0.066 0.000 1.183 171 R CA 0.878 57.028 56.100 0.083 0.000 1.011 171 R CB -1.708 28.629 30.300 0.061 0.000 1.501 171 R HN 0.316 nan 8.270 nan 0.000 0.553 172 N N -1.411 117.339 118.700 0.084 0.000 2.727 172 N HA -0.191 4.549 4.740 -0.000 0.000 0.249 172 N C -0.779 174.700 175.510 -0.051 0.000 1.048 172 N CA 1.547 54.574 53.050 -0.038 0.000 0.714 172 N CB -1.195 37.276 38.487 -0.026 0.000 0.959 172 N HN 0.515 nan 8.380 nan 0.000 0.544 173 c N 1.163 119.765 118.600 0.003 0.000 2.609 173 c HA 0.847 5.417 4.570 -0.000 0.000 0.313 173 c C -0.790 173.277 174.090 -0.039 0.000 1.175 173 c CA -0.941 55.346 56.329 -0.069 0.000 1.434 173 c CB 0.166 42.629 42.510 -0.078 0.000 2.005 173 c HN 0.328 nan 8.230 nan 0.000 0.471 174 F N 3.695 123.418 119.950 -0.378 0.000 2.613 174 F HA 0.875 5.402 4.527 -0.000 0.000 0.314 174 F C -0.338 175.140 175.800 -0.536 0.000 1.075 174 F CA -0.473 57.079 58.000 -0.748 0.000 0.945 174 F CB 1.222 39.416 39.000 -1.343 0.000 1.310 174 F HN 0.608 nan 8.300 nan 0.000 0.467 175 S N 1.259 116.739 115.700 -0.367 0.000 2.648 175 S HA 0.925 5.395 4.470 -0.000 0.000 0.305 175 S C -1.469 173.097 174.600 -0.056 0.000 1.094 175 S CA -0.712 57.324 58.200 -0.273 0.000 0.983 175 S CB 1.892 65.024 63.200 -0.113 0.000 1.101 175 S HN 0.934 nan 8.310 nan 0.000 0.514 176 V N 0.575 120.417 119.914 -0.118 0.000 3.087 176 V HA 0.686 4.806 4.120 -0.000 0.000 0.306 176 V C -0.914 175.159 176.094 -0.035 0.000 1.187 176 V CA -0.565 61.741 62.300 0.010 0.000 0.999 176 V CB 2.721 34.585 31.823 0.068 0.000 1.049 176 V HN 1.043 nan 8.190 nan 0.000 0.431 177 S N 3.102 118.827 115.700 0.041 0.000 2.519 177 S HA 0.682 5.152 4.470 -0.000 0.000 0.309 177 S C -1.051 173.539 174.600 -0.016 0.000 1.100 177 S CA -0.323 57.856 58.200 -0.036 0.000 1.059 177 S CB 1.363 64.576 63.200 0.021 0.000 1.008 177 S HN 0.556 nan 8.310 nan 0.000 0.478 178 L N 4.797 125.925 121.223 -0.158 0.000 2.287 178 L HA 0.589 4.929 4.340 -0.000 0.000 0.287 178 L C -1.830 174.848 176.870 -0.320 0.000 1.022 178 L CA -0.282 54.482 54.840 -0.127 0.000 0.814 178 L CB 0.309 42.329 42.059 -0.066 0.000 1.217 178 L HN 0.574 nan 8.230 nan 0.000 0.420 179 Y N 2.831 122.841 120.300 -0.483 0.000 2.331 179 Y HA 0.485 5.035 4.550 -0.000 0.000 0.338 179 Y C 0.819 176.367 175.900 -0.586 0.000 0.992 179 Y CA -0.469 57.249 58.100 -0.637 0.000 1.121 179 Y CB 1.608 39.326 38.460 -1.236 0.000 1.184 179 Y HN 0.726 nan 8.280 nan 0.000 0.469 180 S N 1.707 117.307 115.700 -0.166 0.000 2.579 180 S HA 0.558 5.028 4.470 -0.000 0.000 0.275 180 S C 0.222 174.835 174.600 0.022 0.000 1.345 180 S CA -0.846 57.316 58.200 -0.064 0.000 1.031 180 S CB 0.852 64.040 63.200 -0.020 0.000 0.892 180 S HN 0.815 nan 8.310 nan 0.000 0.529 181 A N 2.613 125.497 122.820 0.106 0.000 2.401 181 A HA 0.523 4.843 4.320 -0.000 0.000 0.259 181 A C -1.223 176.451 177.584 0.150 0.000 1.103 181 A CA -1.680 50.484 52.037 0.212 0.000 0.789 181 A CB -0.432 18.680 19.000 0.187 0.000 1.035 181 A HN 0.681 nan 8.150 nan 0.000 0.491 182 P HA -0.127 nan 4.420 nan 0.000 0.216 182 P C 0.293 177.638 177.300 0.076 0.000 1.150 182 P CA 1.357 64.522 63.100 0.108 0.000 0.843 182 P CB 0.175 31.935 31.700 0.100 0.000 0.787 183 K N -0.051 120.394 120.400 0.075 0.000 2.293 183 K HA 0.322 4.642 4.320 -0.000 0.000 0.267 183 K C -2.694 173.940 176.600 0.057 0.000 1.010 183 K CA -2.638 53.682 56.287 0.056 0.000 0.875 183 K CB 1.007 33.536 32.500 0.048 0.000 1.106 183 K HN -0.158 nan 8.250 nan 0.000 0.450 184 P HA 0.093 nan 4.420 nan 0.000 0.268 184 P C 0.365 177.689 177.300 0.041 0.000 1.204 184 P CA 0.492 63.617 63.100 0.042 0.000 0.768 184 P CB 1.085 32.805 31.700 0.032 0.000 0.842 185 G N 1.954 110.780 108.800 0.044 0.000 2.313 185 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.215 185 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.215 185 G C 0.007 174.938 174.900 0.051 0.000 1.023 185 G CA -0.318 44.807 45.100 0.042 0.000 0.626 185 G HN 0.507 nan 8.290 nan 0.000 0.503 186 D N 1.301 121.737 120.400 0.061 0.000 2.358 186 D HA 0.485 5.125 4.640 -0.000 0.000 0.244 186 D C 1.186 177.544 176.300 0.097 0.000 1.163 186 D CA -0.036 54.010 54.000 0.076 0.000 0.945 186 D CB 0.366 41.216 40.800 0.083 0.000 1.152 186 D HN 0.269 nan 8.370 nan 0.000 0.451 187 M N 1.048 120.716 119.600 0.115 0.000 2.219 187 M HA 0.227 4.707 4.480 -0.000 0.000 0.353 187 M C 0.285 176.701 176.300 0.193 0.000 1.304 187 M CA -0.414 54.967 55.300 0.136 0.000 1.115 187 M CB 0.888 33.571 32.600 0.139 0.000 1.664 187 M HN 0.331 nan 8.290 nan 0.000 0.459 188 A N 4.571 127.473 122.820 0.137 0.000 2.498 188 A HA 0.420 4.740 4.320 -0.000 0.000 0.239 188 A C -0.536 177.143 177.584 0.158 0.000 1.068 188 A CA -0.105 51.983 52.037 0.085 0.000 0.766 188 A CB -0.169 18.839 19.000 0.012 0.000 1.003 188 A HN 0.741 nan 8.150 nan 0.000 0.497 189 F N -0.030 119.997 119.950 0.128 0.000 2.556 189 F HA 0.827 5.354 4.527 -0.000 0.000 0.327 189 F C -0.647 175.256 175.800 0.172 0.000 1.059 189 F CA -1.611 56.458 58.000 0.115 0.000 0.953 189 F CB 1.173 40.207 39.000 0.058 0.000 1.227 189 F HN 0.326 nan 8.300 nan 0.000 0.478 190 I N 3.345 124.108 120.570 0.321 0.000 2.378 190 I HA 0.442 4.612 4.170 -0.000 0.000 0.291 190 I C -0.508 175.770 176.117 0.269 0.000 0.992 190 I CA -0.953 60.492 61.300 0.241 0.000 1.154 190 I CB 1.454 39.561 38.000 0.179 0.000 1.315 190 I HN 0.494 nan 8.210 nan 0.000 0.448 191 R N 5.132 125.807 120.500 0.292 0.000 2.346 191 R HA 0.695 5.035 4.340 -0.000 0.000 0.311 191 R C -0.992 175.417 176.300 0.182 0.000 0.983 191 R CA -0.788 55.452 56.100 0.233 0.000 0.880 191 R CB 2.287 32.761 30.300 0.290 0.000 1.100 191 R HN 0.430 nan 8.270 nan 0.000 0.453 192 V N 1.250 121.245 119.914 0.135 0.000 2.760 192 V HA 0.599 4.719 4.120 -0.000 0.000 0.309 192 V C -0.552 175.590 176.094 0.080 0.000 1.077 192 V CA -0.850 61.533 62.300 0.139 0.000 0.910 192 V CB 2.071 33.974 31.823 0.134 0.000 1.008 192 V HN 0.943 nan 8.190 nan 0.000 0.424 193 A N 4.072 126.933 122.820 0.068 0.000 2.540 193 A HA 0.356 4.676 4.320 -0.000 0.000 0.239 193 A C 1.447 178.875 177.584 -0.260 0.000 1.061 193 A CA 0.683 52.642 52.037 -0.130 0.000 0.758 193 A CB 0.300 19.097 19.000 -0.338 0.000 0.991 193 A HN 1.829 nan 8.150 nan 0.000 0.502 194 S N 1.680 117.289 115.700 -0.152 0.000 2.447 194 S HA -0.220 4.250 4.470 -0.000 0.000 0.233 194 S C 1.418 175.888 174.600 -0.216 0.000 1.006 194 S CA 1.531 59.654 58.200 -0.129 0.000 0.957 194 S CB -0.787 62.383 63.200 -0.050 0.000 0.773 194 S HN 1.083 nan 8.310 nan 0.000 0.507 195 Y N -0.331 119.809 120.300 -0.266 0.000 2.516 195 Y HA 0.379 4.929 4.550 -0.000 0.000 0.291 195 Y C 0.162 175.886 175.900 -0.294 0.000 1.131 195 Y CA -1.053 56.814 58.100 -0.388 0.000 1.281 195 Y CB -0.802 37.398 38.460 -0.434 0.000 1.013 195 Y HN 0.100 nan 8.280 nan 0.000 0.554 196 Y N 4.802 124.670 120.300 -0.720 0.000 2.587 196 Y HA 0.256 4.806 4.550 -0.000 0.000 0.344 196 Y C -2.161 173.570 175.900 -0.280 0.000 1.061 196 Y CA -3.748 54.098 58.100 -0.424 0.000 1.370 196 Y CB 0.195 38.411 38.460 -0.406 0.000 1.163 196 Y HN 0.084 nan 8.280 nan 0.000 0.527 197 P HA 0.082 nan 4.420 nan 0.000 0.237 197 P C -0.685 176.623 177.300 0.014 0.000 1.788 197 P CA 0.162 63.222 63.100 -0.066 0.000 1.061 197 P CB -0.223 31.403 31.700 -0.122 0.000 1.967 198 V N -0.880 118.989 119.914 -0.075 0.000 3.126 198 V HA 0.783 4.903 4.120 -0.000 0.000 0.314 198 V C -0.325 175.728 176.094 -0.068 0.000 1.138 198 V CA -0.800 61.439 62.300 -0.102 0.000 1.034 198 V CB 2.021 33.550 31.823 -0.490 0.000 1.075 198 V HN 0.053 nan 8.190 nan 0.000 0.442 199 T N 4.554 119.103 114.554 -0.008 0.000 2.864 199 T HA 0.600 4.950 4.350 -0.000 0.000 0.299 199 T C -0.449 174.150 174.700 -0.169 0.000 1.011 199 T CA -0.361 61.663 62.100 -0.127 0.000 0.975 199 T CB 0.889 69.695 68.868 -0.104 0.000 0.962 199 T HN 0.626 nan 8.240 nan 0.000 0.448 200 M N 3.692 123.140 119.600 -0.253 0.000 2.363 200 M HA 0.571 5.051 4.480 -0.000 0.000 0.343 200 M C -0.908 175.154 176.300 -0.397 0.000 1.165 200 M CA -0.753 54.466 55.300 -0.136 0.000 1.046 200 M CB 0.614 33.226 32.600 0.019 0.000 1.648 200 M HN 0.475 nan 8.290 nan 0.000 0.452 201 F N 0.060 120.081 119.950 0.119 0.000 2.565 201 F HA 0.449 4.976 4.527 -0.000 0.000 0.313 201 F C 0.264 176.123 175.800 0.097 0.000 1.091 201 F CA -0.760 57.296 58.000 0.094 0.000 0.915 201 F CB 2.106 41.148 39.000 0.069 0.000 1.208 201 F HN 0.504 nan 8.300 nan 0.000 0.453 202 S N 1.856 117.725 115.700 0.281 0.000 2.456 202 S HA 0.365 4.835 4.470 -0.000 0.000 0.316 202 S C -0.382 174.319 174.600 0.168 0.000 1.089 202 S CA -0.442 57.878 58.200 0.201 0.000 1.101 202 S CB 1.046 64.354 63.200 0.180 0.000 0.995 202 S HN 0.777 nan 8.310 nan 0.000 0.468 203 Q N 3.161 123.038 119.800 0.129 0.000 2.186 203 Q HA 0.293 4.633 4.340 -0.000 0.000 0.241 203 Q C -0.759 175.288 176.000 0.079 0.000 0.849 203 Q CA -0.226 55.632 55.803 0.091 0.000 1.053 203 Q CB 1.033 29.809 28.738 0.063 0.000 1.146 203 Q HN 0.527 nan 8.270 nan 0.000 0.475 204 V N 1.616 121.584 119.914 0.089 0.000 2.432 204 V HA 0.216 4.336 4.120 -0.000 0.000 0.271 204 V C 0.370 176.505 176.094 0.068 0.000 1.046 204 V CA -0.219 62.125 62.300 0.073 0.000 0.945 204 V CB 0.964 32.829 31.823 0.070 0.000 0.992 204 V HN 0.290 nan 8.190 nan 0.000 0.471 205 R N 2.728 123.261 120.500 0.056 0.000 2.308 205 R HA 0.419 4.759 4.340 -0.000 0.000 0.305 205 R C -0.086 176.241 176.300 0.046 0.000 1.053 205 R CA -0.388 55.744 56.100 0.052 0.000 0.957 205 R CB 1.078 31.405 30.300 0.045 0.000 1.022 205 R HN 0.656 nan 8.270 nan 0.000 0.461 206 T N 4.560 119.144 114.554 0.049 0.000 2.780 206 T HA 0.276 4.626 4.350 -0.000 0.000 0.294 206 T C 0.231 174.951 174.700 0.034 0.000 0.949 206 T CA -0.375 61.749 62.100 0.040 0.000 1.074 206 T CB 0.466 69.365 68.868 0.051 0.000 0.910 206 T HN 0.217 nan 8.240 nan 0.000 0.501 207 L N 5.764 127.002 121.223 0.024 0.000 2.307 207 L HA 0.411 4.751 4.340 -0.000 0.000 0.282 207 L C -2.052 174.829 176.870 0.018 0.000 1.051 207 L CA -2.476 52.377 54.840 0.021 0.000 0.804 207 L CB 1.072 43.141 42.059 0.015 0.000 1.197 207 L HN 0.340 nan 8.230 nan 0.000 0.431 208 P HA 0.032 nan 4.420 nan 0.000 0.269 208 P C -0.965 176.341 177.300 0.010 0.000 1.217 208 P CA -0.430 62.680 63.100 0.016 0.000 0.783 208 P CB 0.285 31.995 31.700 0.016 0.000 0.898 209 R N 1.621 122.126 120.500 0.008 0.000 2.585 209 R HA 0.255 4.595 4.340 -0.000 0.000 0.275 209 R C 1.174 177.475 176.300 0.002 0.000 1.018 209 R CA 0.495 56.597 56.100 0.003 0.000 1.072 209 R CB -1.563 28.738 30.300 0.002 0.000 0.953 209 R HN 0.881 nan 8.270 nan 0.000 0.419 210 G N 1.133 109.932 108.800 -0.002 0.000 2.143 210 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.248 210 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.248 210 G C 0.217 175.117 174.900 0.000 0.000 0.991 210 G CA 0.550 45.648 45.100 -0.003 0.000 0.689 210 G HN 0.832 nan 8.290 nan 0.000 0.522 211 S N -0.169 115.532 115.700 0.002 0.000 2.560 211 S HA 0.520 4.990 4.470 -0.000 0.000 0.284 211 S C 1.902 176.505 174.600 0.005 0.000 1.327 211 S CA 0.729 58.933 58.200 0.007 0.000 1.055 211 S CB 0.857 64.063 63.200 0.010 0.000 0.868 211 S HN 1.637 nan 8.310 nan 0.000 0.506 212 A N 3.912 126.740 122.820 0.012 0.000 2.067 212 A HA -0.023 4.297 4.320 -0.000 0.000 0.219 212 A C 1.900 179.498 177.584 0.023 0.000 1.158 212 A CA 1.347 53.394 52.037 0.017 0.000 0.661 212 A CB -0.476 18.539 19.000 0.024 0.000 0.801 212 A HN 0.953 nan 8.150 nan 0.000 0.452 213 E N -0.335 119.880 120.200 0.024 0.000 2.285 213 E HA 0.023 4.373 4.350 -0.000 0.000 0.194 213 E C 2.173 178.784 176.600 0.018 0.000 0.997 213 E CA 0.473 56.893 56.400 0.034 0.000 0.845 213 E CB -0.186 29.534 29.700 0.034 0.000 0.782 213 E HN 0.639 nan 8.360 nan 0.000 0.491 214 A N 1.415 124.232 122.820 -0.004 0.000 1.948 214 A HA -0.315 4.005 4.320 -0.000 0.000 0.220 214 A C 2.104 179.651 177.584 -0.063 0.000 1.177 214 A CA 1.727 53.749 52.037 -0.025 0.000 0.636 214 A CB -0.463 18.518 19.000 -0.031 0.000 0.815 214 A HN 0.247 nan 8.150 nan 0.000 0.449 215 Q N -1.983 117.754 119.800 -0.105 0.000 2.016 215 Q HA -0.136 4.204 4.340 -0.000 0.000 0.200 215 Q C 1.146 176.928 176.000 -0.363 0.000 0.978 215 Q CA 1.763 57.399 55.803 -0.278 0.000 0.833 215 Q CB -0.103 28.412 28.738 -0.372 0.000 0.895 215 Q HN 0.799 nan 8.270 nan 0.000 0.427 216 Y N -1.448 118.859 120.300 0.011 0.000 2.481 216 Y HA 0.221 4.771 4.550 -0.000 0.000 0.247 216 Y C 0.141 176.051 175.900 0.016 0.000 1.151 216 Y CA -0.978 57.130 58.100 0.013 0.000 1.238 216 Y CB 1.070 39.538 38.460 0.012 0.000 1.179 216 Y HN 0.135 nan 8.280 nan 0.000 0.524 217 c N 3.134 121.806 118.600 0.121 0.000 2.464 217 c HA 0.244 4.814 4.570 -0.000 0.000 0.370 217 c C 0.319 174.450 174.090 0.069 0.000 1.267 217 c CA -0.483 55.898 56.329 0.088 0.000 1.781 217 c CB -0.941 41.605 42.510 0.060 0.000 2.431 217 c HN 0.264 nan 8.230 nan 0.000 0.556 218 E N 3.199 123.445 120.200 0.076 0.000 2.318 218 E HA 0.303 4.653 4.350 -0.000 0.000 0.265 218 E C -0.714 175.920 176.600 0.057 0.000 1.069 218 E CA -0.495 55.946 56.400 0.067 0.000 0.893 218 E CB 1.503 31.251 29.700 0.079 0.000 1.076 218 E HN 0.652 nan 8.360 nan 0.000 0.414 219 L N 2.525 123.779 121.223 0.052 0.000 2.280 219 L HA 0.328 4.668 4.340 -0.000 0.000 0.287 219 L C -0.955 175.956 176.870 0.069 0.000 1.023 219 L CA -0.097 54.776 54.840 0.055 0.000 0.819 219 L CB 0.779 42.864 42.059 0.044 0.000 1.212 219 L HN 0.224 nan 8.230 nan 0.000 0.420 220 D N 3.184 123.629 120.400 0.075 0.000 2.433 220 D HA 0.419 5.059 4.640 -0.000 0.000 0.236 220 D C -1.165 175.174 176.300 0.065 0.000 1.026 220 D CA -0.211 53.837 54.000 0.080 0.000 0.884 220 D CB 2.978 43.831 40.800 0.088 0.000 1.384 220 D HN 0.309 nan 8.370 nan 0.000 0.477 221 V N 1.486 121.423 119.914 0.039 0.000 2.417 221 V HA 0.436 4.556 4.120 -0.000 0.000 0.291 221 V C -1.052 175.051 176.094 0.015 0.000 1.024 221 V CA -0.378 61.888 62.300 -0.057 0.000 0.861 221 V CB 1.510 33.127 31.823 -0.344 0.000 0.985 221 V HN 0.281 nan 8.190 nan 0.000 0.436 222 V N 9.608 129.537 119.914 0.024 0.000 2.326 222 V HA 0.467 4.587 4.120 -0.000 0.000 0.281 222 V C -2.262 173.812 176.094 -0.033 0.000 1.015 222 V CA -1.518 60.800 62.300 0.030 0.000 0.823 222 V CB 1.691 33.528 31.823 0.024 0.000 1.009 222 V HN 0.831 nan 8.190 nan 0.000 0.436 223 P HA 0.408 nan 4.420 nan 0.000 0.279 223 P C 0.028 177.178 177.300 -0.250 0.000 1.239 223 P CA 0.291 63.178 63.100 -0.354 0.000 0.789 223 P CB 1.968 33.492 31.700 -0.293 0.000 0.933 224 G N 1.489 110.106 108.800 -0.305 0.000 3.140 224 G HA2 0.347 4.307 3.960 -0.000 0.000 0.271 224 G HA3 0.347 4.307 3.960 -0.000 0.000 0.271 224 G C -0.937 173.866 174.900 -0.162 0.000 1.370 224 G CA -0.569 44.431 45.100 -0.166 0.000 1.014 224 G HN 0.334 nan 8.290 nan 0.000 0.541 225 D N -0.085 120.265 120.400 -0.084 0.000 2.368 225 D HA 0.191 4.831 4.640 -0.000 0.000 0.240 225 D C 1.167 177.443 176.300 -0.041 0.000 1.169 225 D CA 0.281 54.249 54.000 -0.053 0.000 0.906 225 D CB 0.952 41.739 40.800 -0.023 0.000 1.187 225 D HN 0.385 nan 8.370 nan 0.000 0.435 226 L N 1.364 122.577 121.223 -0.018 0.000 3.717 226 L HA -0.329 4.011 4.340 -0.000 0.000 0.414 226 L C -0.107 176.771 176.870 0.014 0.000 1.228 226 L CA -0.022 54.826 54.840 0.014 0.000 0.918 226 L CB -1.616 40.462 42.059 0.032 0.000 1.865 226 L HN 0.557 nan 8.230 nan 0.000 0.922 227 N N -0.851 117.825 118.700 -0.040 0.000 2.754 227 N HA -0.163 4.577 4.740 -0.000 0.000 0.248 227 N C 0.377 175.880 175.510 -0.012 0.000 1.093 227 N CA 1.334 54.370 53.050 -0.024 0.000 0.699 227 N CB -0.537 38.033 38.487 0.138 0.000 1.016 227 N HN 0.604 nan 8.380 nan 0.000 0.552 228 R N -0.314 120.112 120.500 -0.124 0.000 2.441 228 R HA 0.520 4.860 4.340 -0.000 0.000 0.284 228 R C -0.204 175.941 176.300 -0.258 0.000 1.070 228 R CA 0.130 56.231 56.100 0.001 0.000 1.047 228 R CB 0.483 30.855 30.300 0.119 0.000 1.016 228 R HN 0.003 nan 8.270 nan 0.000 0.477 229 F N -0.125 119.883 119.950 0.096 0.000 2.561 229 F HA 0.325 4.852 4.527 -0.000 0.000 0.313 229 F C -0.074 175.800 175.800 0.123 0.000 1.126 229 F CA -0.714 57.311 58.000 0.042 0.000 0.918 229 F CB 2.455 41.426 39.000 -0.048 0.000 1.199 229 F HN 0.293 nan 8.300 nan 0.000 0.444 230 T N 4.525 119.220 114.554 0.235 0.000 2.792 230 T HA 0.544 4.894 4.350 -0.000 0.000 0.280 230 T C -0.765 174.011 174.700 0.127 0.000 0.990 230 T CA -0.518 61.712 62.100 0.216 0.000 0.960 230 T CB 1.065 70.015 68.868 0.137 0.000 0.939 230 T HN 0.121 nan 8.240 nan 0.000 0.439 231 L N 4.338 125.643 121.223 0.136 0.000 2.292 231 L HA 0.609 4.949 4.340 -0.000 0.000 0.284 231 L C 0.969 177.896 176.870 0.095 0.000 1.065 231 L CA 0.010 54.910 54.840 0.101 0.000 0.806 231 L CB 0.887 43.018 42.059 0.121 0.000 1.175 231 L HN 0.898 nan 8.230 nan 0.000 0.431 232 T N -0.429 114.170 114.554 0.076 0.000 2.887 232 T HA 0.932 5.282 4.350 -0.000 0.000 0.292 232 T C 0.123 174.860 174.700 0.061 0.000 1.087 232 T CA -0.128 62.012 62.100 0.065 0.000 1.009 232 T CB 2.006 70.906 68.868 0.053 0.000 1.203 232 T HN 1.117 nan 8.240 nan 0.000 0.518 233 G N -0.244 108.588 108.800 0.054 0.000 2.475 233 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.223 233 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.223 233 G C -0.515 174.413 174.900 0.048 0.000 1.201 233 G CA -0.340 44.791 45.100 0.052 0.000 0.962 233 G HN 1.383 nan 8.290 nan 0.000 0.586 234 c N -0.793 117.833 118.600 0.043 0.000 2.634 234 c HA 0.835 5.405 4.570 -0.000 0.000 0.313 234 c C -0.228 173.878 174.090 0.025 0.000 1.198 234 c CA -0.366 55.984 56.329 0.035 0.000 1.605 234 c CB 0.946 43.475 42.510 0.032 0.000 2.196 234 c HN 1.033 nan 8.230 nan 0.000 0.486 235 L N 4.249 125.483 121.223 0.019 0.000 2.406 235 L HA 0.606 4.946 4.340 -0.000 0.000 0.272 235 L C -2.701 174.169 176.870 0.000 0.000 0.980 235 L CA -1.494 53.347 54.840 0.003 0.000 0.831 235 L CB 1.662 43.718 42.059 -0.006 0.000 1.253 235 L HN 0.413 nan 8.230 nan 0.000 0.406 236 P HA 0.092 nan 4.420 nan 0.000 0.269 236 P C -1.047 176.247 177.300 -0.010 0.000 1.209 236 P CA -0.163 62.932 63.100 -0.007 0.000 0.776 236 P CB 0.408 32.099 31.700 -0.014 0.000 0.876 237 Q N 2.238 122.037 119.800 -0.002 0.000 2.283 237 Q HA 0.010 4.350 4.340 -0.000 0.000 0.301 237 Q C 0.322 176.315 176.000 -0.012 0.000 1.063 237 Q CA 1.001 56.804 55.803 0.000 0.000 0.952 237 Q CB 0.257 29.002 28.738 0.011 0.000 1.166 237 Q HN 0.447 nan 8.270 nan 0.000 0.381 238 R N -0.430 120.059 120.500 -0.019 0.000 2.725 238 R HA 0.342 4.682 4.340 -0.000 0.000 0.277 238 R C 0.481 176.769 176.300 -0.020 0.000 0.987 238 R CA -0.492 55.590 56.100 -0.030 0.000 0.901 238 R CB 0.826 31.091 30.300 -0.058 0.000 1.207 238 R HN 0.587 nan 8.270 nan 0.000 0.463 239 S N 0.016 115.707 115.700 -0.015 0.000 2.436 239 S HA 0.002 4.472 4.470 -0.000 0.000 0.228 239 S C 0.245 174.842 174.600 -0.005 0.000 1.014 239 S CA 0.372 58.573 58.200 0.003 0.000 0.950 239 S CB -0.122 63.080 63.200 0.003 0.000 0.784 239 S HN 0.623 nan 8.310 nan 0.000 0.504 240 E N 2.220 122.389 120.200 -0.052 0.000 2.227 240 E HA 0.463 4.813 4.350 -0.000 0.000 0.268 240 E C -2.850 173.619 176.600 -0.219 0.000 0.907 240 E CA -2.709 53.632 56.400 -0.099 0.000 0.786 240 E CB 1.459 31.106 29.700 -0.088 0.000 1.191 240 E HN 0.193 nan 8.360 nan 0.000 0.411 241 P HA 0.049 nan 4.420 nan 0.000 0.269 241 P C -0.304 176.762 177.300 -0.390 0.000 1.215 241 P CA -0.463 62.224 63.100 -0.688 0.000 0.780 241 P CB 0.623 31.527 31.700 -1.328 0.000 0.898 242 L N 4.757 125.783 121.223 -0.330 0.000 2.260 242 L HA 0.431 4.771 4.340 -0.000 0.000 0.289 242 L C -2.340 174.400 176.870 -0.217 0.000 1.057 242 L CA -2.295 52.414 54.840 -0.217 0.000 0.811 242 L CB 0.660 42.624 42.059 -0.159 0.000 1.184 242 L HN 0.214 nan 8.230 nan 0.000 0.429 243 P HA 0.305 nan 4.420 nan 0.000 0.286 243 P C -1.358 175.794 177.300 -0.247 0.000 1.269 243 P CA -0.171 62.811 63.100 -0.196 0.000 0.787 243 P CB 1.159 32.763 31.700 -0.160 0.000 0.920 244 L N 2.055 123.075 121.223 -0.339 0.000 2.388 244 L HA 0.825 5.165 4.340 -0.000 0.000 0.264 244 L C -0.201 176.183 176.870 -0.810 0.000 0.998 244 L CA -0.993 53.489 54.840 -0.597 0.000 0.817 244 L CB 2.369 44.017 42.059 -0.686 0.000 1.338 244 L HN 0.341 nan 8.230 nan 0.000 0.414 245 A N 1.859 124.089 122.820 -0.983 0.000 2.393 245 A HA 0.910 5.230 4.320 -0.000 0.000 0.306 245 A C -1.516 175.372 177.584 -1.160 0.000 1.050 245 A CA -0.282 51.197 52.037 -0.930 0.000 0.724 245 A CB 1.032 19.723 19.000 -0.515 0.000 1.248 245 A HN 0.431 nan 8.150 nan 0.000 0.424 246 F N 0.578 119.965 119.950 -0.938 0.000 2.593 246 F HA 0.726 5.253 4.527 -0.000 0.000 0.320 246 F C 0.619 175.980 175.800 -0.732 0.000 1.060 246 F CA -0.786 56.688 58.000 -0.877 0.000 0.940 246 F CB 2.178 40.508 39.000 -1.117 0.000 1.268 246 F HN 0.714 nan 8.300 nan 0.000 0.475 247 A N 1.371 124.130 122.820 -0.102 0.000 2.328 247 A HA 0.609 4.929 4.320 -0.000 0.000 0.284 247 A C -0.619 177.097 177.584 0.221 0.000 1.160 247 A CA -0.592 51.439 52.037 -0.010 0.000 0.818 247 A CB 0.268 19.253 19.000 -0.023 0.000 1.087 247 A HN 0.564 nan 8.150 nan 0.000 0.504 248 V N 3.854 123.866 119.914 0.163 0.000 2.529 248 V HA -0.014 4.106 4.120 -0.000 0.000 0.292 248 V C 0.988 177.157 176.094 0.126 0.000 1.028 248 V CA 0.283 62.671 62.300 0.148 0.000 1.074 248 V CB 0.770 32.395 31.823 -0.331 0.000 0.958 248 V HN 1.020 nan 8.190 nan 0.000 0.481 249 Q N 2.114 122.003 119.800 0.148 0.000 2.302 249 Q HA 0.069 4.409 4.340 -0.000 0.000 0.202 249 Q C 0.560 176.595 176.000 0.059 0.000 0.936 249 Q CA 0.494 56.344 55.803 0.078 0.000 0.886 249 Q CB 0.194 28.936 28.738 0.007 0.000 0.986 249 Q HN 0.814 nan 8.270 nan 0.000 0.487 250 D N -0.009 120.419 120.400 0.047 0.000 2.434 250 D HA 0.236 4.876 4.640 -0.000 0.000 0.275 250 D C 0.941 177.280 176.300 0.065 0.000 1.172 250 D CA -0.317 53.715 54.000 0.053 0.000 0.916 250 D CB 0.513 41.338 40.800 0.042 0.000 1.041 250 D HN 0.102 nan 8.370 nan 0.000 0.501 251 G N 1.878 110.709 108.800 0.051 0.000 2.418 251 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 251 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 251 G C 1.461 176.359 174.900 -0.004 0.000 1.158 251 G CA 0.957 46.084 45.100 0.044 0.000 0.771 251 G HN 0.535 nan 8.290 nan 0.000 0.545 252 A N 0.828 123.620 122.820 -0.045 0.000 1.883 252 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 252 A C 2.716 180.272 177.584 -0.047 0.000 1.186 252 A CA 2.415 54.389 52.037 -0.106 0.000 0.624 252 A CB -0.731 18.237 19.000 -0.054 0.000 0.822 252 A HN 0.322 nan 8.150 nan 0.000 0.444 253 S N -2.040 113.675 115.700 0.025 0.000 2.383 253 S HA -0.125 4.345 4.470 -0.000 0.000 0.227 253 S C 1.824 176.478 174.600 0.090 0.000 1.026 253 S CA 1.376 59.608 58.200 0.053 0.000 0.981 253 S CB -0.506 62.734 63.200 0.067 0.000 0.818 253 S HN 0.671 nan 8.310 nan 0.000 0.472 254 Y N 2.326 122.614 120.300 -0.021 0.000 2.133 254 Y HA -0.098 4.452 4.550 -0.000 0.000 0.287 254 Y C 2.466 178.363 175.900 -0.005 0.000 1.134 254 Y CA 1.118 59.217 58.100 -0.001 0.000 1.133 254 Y CB -0.850 37.620 38.460 0.016 0.000 0.987 254 Y HN 0.206 nan 8.280 nan 0.000 0.502 255 A N 0.081 122.917 122.820 0.026 0.000 1.908 255 A HA -0.138 4.181 4.320 -0.000 0.000 0.218 255 A C 2.479 180.044 177.584 -0.031 0.000 1.181 255 A CA 1.819 53.807 52.037 -0.082 0.000 0.627 255 A CB -1.753 16.988 19.000 -0.433 0.000 0.818 255 A HN 0.612 nan 8.150 nan 0.000 0.445 256 G N -0.545 108.232 108.800 -0.039 0.000 2.440 256 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.218 256 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.218 256 G C 1.727 176.632 174.900 0.009 0.000 1.154 256 G CA 1.503 46.603 45.100 -0.000 0.000 0.767 256 G HN 0.836 nan 8.290 nan 0.000 0.552 257 A N 0.441 123.262 122.820 0.000 0.000 1.930 257 A HA 0.137 4.457 4.320 -0.000 0.000 0.217 257 A C 2.390 179.990 177.584 0.027 0.000 1.175 257 A CA 1.080 53.129 52.037 0.019 0.000 0.627 257 A CB -0.275 18.718 19.000 -0.012 0.000 0.815 257 A HN 0.382 nan 8.150 nan 0.000 0.443 258 I N -0.875 119.670 120.570 -0.041 0.000 2.252 258 I HA -0.211 3.958 4.170 -0.000 0.000 0.245 258 I C 2.418 178.597 176.117 0.104 0.000 1.102 258 I CA 1.109 62.414 61.300 0.010 0.000 1.385 258 I CB -0.218 37.742 38.000 -0.067 0.000 1.064 258 I HN 0.400 nan 8.210 nan 0.000 0.414 259 L N 1.342 122.607 121.223 0.071 0.000 2.017 259 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 259 L C 2.488 179.363 176.870 0.008 0.000 1.073 259 L CA 1.957 56.823 54.840 0.044 0.000 0.745 259 L CB -0.733 41.346 42.059 0.034 0.000 0.894 259 L HN 0.123 nan 8.230 nan 0.000 0.432 260 K N -1.701 118.711 120.400 0.019 0.000 2.032 260 K HA -0.300 4.019 4.320 -0.000 0.000 0.209 260 K C 2.323 179.067 176.600 0.240 0.000 1.048 260 K CA 2.092 58.432 56.287 0.088 0.000 0.927 260 K CB -0.601 32.012 32.500 0.188 0.000 0.712 260 K HN 0.460 nan 8.250 nan 0.000 0.441 261 Y N 1.803 122.163 120.300 0.099 0.000 2.145 261 Y HA -0.186 4.364 4.550 -0.000 0.000 0.286 261 Y C 1.997 177.946 175.900 0.081 0.000 1.145 261 Y CA 1.816 59.971 58.100 0.092 0.000 1.148 261 Y CB -0.022 38.468 38.460 0.050 0.000 0.981 261 Y HN 0.154 nan 8.280 nan 0.000 0.507 262 E N 0.530 120.761 120.200 0.052 0.000 2.110 262 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 262 E C 2.362 178.926 176.600 -0.060 0.000 0.988 262 E CA 1.301 57.672 56.400 -0.048 0.000 0.804 262 E CB -0.563 29.169 29.700 0.052 0.000 0.745 262 E HN 0.558 nan 8.360 nan 0.000 0.458 263 L N 0.775 122.003 121.223 0.009 0.000 2.012 263 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 263 L C 2.501 179.450 176.870 0.132 0.000 1.073 263 L CA 1.438 56.326 54.840 0.080 0.000 0.748 263 L CB -0.343 41.763 42.059 0.078 0.000 0.891 263 L HN 0.060 nan 8.230 nan 0.000 0.431 264 K N -0.719 119.767 120.400 0.144 0.000 2.097 264 K HA -0.179 4.141 4.320 -0.000 0.000 0.206 264 K C 2.221 178.766 176.600 -0.091 0.000 1.049 264 K CA 0.978 57.291 56.287 0.044 0.000 0.933 264 K CB -0.065 32.452 32.500 0.028 0.000 0.717 264 K HN 0.271 nan 8.250 nan 0.000 0.442 265 Q N -0.091 119.574 119.800 -0.226 0.000 2.167 265 Q HA -0.045 4.295 4.340 -0.000 0.000 0.202 265 Q C 1.904 177.835 176.000 -0.116 0.000 0.970 265 Q CA 1.273 56.932 55.803 -0.240 0.000 0.855 265 Q CB -0.087 28.407 28.738 -0.406 0.000 0.911 265 Q HN 0.296 nan 8.270 nan 0.000 0.438 266 A N -0.393 122.381 122.820 -0.077 0.000 2.235 266 A HA 0.299 4.619 4.320 -0.000 0.000 0.208 266 A C 1.452 179.028 177.584 -0.013 0.000 1.172 266 A CA 1.002 53.018 52.037 -0.035 0.000 0.786 266 A CB -0.266 18.722 19.000 -0.021 0.000 0.804 266 A HN 0.417 nan 8.150 nan 0.000 0.479 267 G N -0.879 107.915 108.800 -0.010 0.000 2.143 267 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.249 267 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.249 267 G C 0.080 174.998 174.900 0.029 0.000 0.981 267 G CA 0.253 45.352 45.100 -0.001 0.000 0.665 267 G HN 0.492 nan 8.290 nan 0.000 0.528 268 I N 2.534 123.148 120.570 0.073 0.000 2.352 268 I HA 0.354 4.524 4.170 -0.000 0.000 0.290 268 I C 1.238 177.487 176.117 0.221 0.000 1.036 268 I CA 0.167 61.544 61.300 0.130 0.000 1.336 268 I CB 0.972 39.052 38.000 0.133 0.000 1.407 268 I HN 0.286 nan 8.210 nan 0.000 0.497 269 T N 2.405 117.045 114.554 0.144 0.000 2.944 269 T HA 0.676 5.026 4.350 -0.000 0.000 0.284 269 T C -0.895 173.948 174.700 0.238 0.000 1.010 269 T CA -0.681 61.444 62.100 0.042 0.000 1.025 269 T CB 1.517 70.337 68.868 -0.080 0.000 1.079 269 T HN 0.677 nan 8.240 nan 0.000 0.516 270 W N -0.279 121.020 121.300 -0.002 0.000 3.167 270 W HA 0.603 5.263 4.660 -0.000 0.000 0.324 270 W C 0.439 176.961 176.519 0.005 0.000 1.230 270 W CA -0.458 56.889 57.345 0.003 0.000 1.184 270 W CB 0.862 30.326 29.460 0.007 0.000 1.414 270 W HN 0.695 nan 8.180 nan 0.000 0.551 271 S N 0.573 116.366 115.700 0.155 0.000 2.492 271 S HA 0.376 4.846 4.470 -0.000 0.000 0.218 271 S C 0.873 175.544 174.600 0.118 0.000 1.016 271 S CA 0.503 58.737 58.200 0.056 0.000 0.916 271 S CB -0.231 62.999 63.200 0.051 0.000 0.791 271 S HN 0.855 nan 8.310 nan 0.000 0.513 272 G N 1.563 110.515 108.800 0.253 0.000 2.666 272 G HA2 0.530 4.490 3.960 -0.000 0.000 0.207 272 G HA3 0.530 4.490 3.960 -0.000 0.000 0.207 272 G C -0.081 175.004 174.900 0.309 0.000 1.481 272 G CA 0.225 45.458 45.100 0.222 0.000 1.071 272 G HN 0.628 nan 8.290 nan 0.000 0.572 273 T N -2.862 111.833 114.554 0.235 0.000 2.864 273 T HA 0.599 4.949 4.350 -0.000 0.000 0.289 273 T C -0.548 174.231 174.700 0.131 0.000 1.082 273 T CA -0.892 61.352 62.100 0.239 0.000 1.009 273 T CB 1.492 70.450 68.868 0.149 0.000 1.234 273 T HN 0.203 nan 8.240 nan 0.000 0.526 274 L N 1.852 123.141 121.223 0.110 0.000 2.313 274 L HA 0.466 4.806 4.340 -0.000 0.000 0.282 274 L C -0.471 176.418 176.870 0.031 0.000 1.092 274 L CA -0.076 54.773 54.840 0.014 0.000 0.831 274 L CB 0.107 42.178 42.059 0.020 0.000 1.159 274 L HN 0.641 nan 8.230 nan 0.000 0.442 275 L N 4.031 125.262 121.223 0.013 0.000 2.370 275 L HA 0.540 4.880 4.340 -0.000 0.000 0.266 275 L C 0.230 177.111 176.870 0.020 0.000 1.002 275 L CA -0.755 54.098 54.840 0.023 0.000 0.818 275 L CB 2.625 44.700 42.059 0.025 0.000 1.325 275 L HN 0.497 nan 8.230 nan 0.000 0.418 276 R N 1.617 122.131 120.500 0.024 0.000 2.390 276 R HA 0.238 4.578 4.340 -0.000 0.000 0.291 276 R C -0.683 175.634 176.300 0.028 0.000 1.070 276 R CA -0.232 55.883 56.100 0.025 0.000 1.014 276 R CB 0.958 31.272 30.300 0.024 0.000 1.007 276 R HN 0.586 nan 8.270 nan 0.000 0.466 277 Q N 1.990 121.810 119.800 0.033 0.000 2.357 277 Q HA 0.158 4.498 4.340 -0.000 0.000 0.266 277 Q C -0.085 175.937 176.000 0.035 0.000 1.021 277 Q CA -0.394 55.428 55.803 0.032 0.000 0.784 277 Q CB 1.510 30.266 28.738 0.031 0.000 1.243 277 Q HN 0.825 nan 8.270 nan 0.000 0.465 278 T N -0.213 114.360 114.554 0.032 0.000 2.990 278 T HA 0.208 4.558 4.350 -0.000 0.000 0.250 278 T C 0.379 175.100 174.700 0.035 0.000 1.041 278 T CA -0.011 62.110 62.100 0.035 0.000 1.010 278 T CB 0.367 69.254 68.868 0.031 0.000 1.003 278 T HN 0.513 nan 8.240 nan 0.000 0.499 279 Q N 2.128 121.947 119.800 0.031 0.000 2.230 279 Q HA 0.522 4.862 4.340 -0.000 0.000 0.248 279 Q C -0.086 175.935 176.000 0.034 0.000 0.915 279 Q CA -0.876 54.946 55.803 0.031 0.000 0.900 279 Q CB 2.338 31.092 28.738 0.026 0.000 1.229 279 Q HN 0.438 nan 8.270 nan 0.000 0.439 280 V N 0.680 120.619 119.914 0.041 0.000 2.788 280 V HA 0.144 4.264 4.120 -0.000 0.000 0.307 280 V C -0.343 175.772 176.094 0.035 0.000 1.069 280 V CA -0.176 62.151 62.300 0.045 0.000 1.173 280 V CB -0.244 31.614 31.823 0.059 0.000 0.925 280 V HN 0.977 nan 8.190 nan 0.000 0.492 281 N N 1.099 119.819 118.700 0.033 0.000 2.484 281 N HA 0.387 5.127 4.740 -0.000 0.000 0.269 281 N C -1.209 174.314 175.510 0.022 0.000 1.237 281 N CA -0.949 52.115 53.050 0.024 0.000 0.838 281 N CB 1.486 39.985 38.487 0.020 0.000 1.593 281 N HN 0.612 nan 8.380 nan 0.000 0.485 282 E N 1.259 121.469 120.200 0.017 0.000 2.376 282 E HA 0.196 4.546 4.350 -0.000 0.000 0.266 282 E C -2.015 174.590 176.600 0.009 0.000 1.009 282 E CA -1.287 55.121 56.400 0.014 0.000 0.902 282 E CB 0.149 29.856 29.700 0.011 0.000 0.972 282 E HN 0.517 nan 8.360 nan 0.000 0.439 283 P HA 0.028 nan 4.420 nan 0.000 0.269 283 P C 0.263 177.560 177.300 -0.005 0.000 1.215 283 P CA -0.064 63.035 63.100 -0.002 0.000 0.780 283 P CB 0.747 32.445 31.700 -0.004 0.000 0.898 284 G N 1.146 109.940 108.800 -0.011 0.000 2.509 284 G HA2 0.279 4.239 3.960 -0.000 0.000 0.269 284 G HA3 0.279 4.239 3.960 -0.000 0.000 0.269 284 G C -0.595 174.295 174.900 -0.015 0.000 1.416 284 G CA -0.393 44.700 45.100 -0.011 0.000 1.052 284 G HN 0.425 nan 8.290 nan 0.000 0.542 285 T N 0.701 115.246 114.554 -0.015 0.000 2.799 285 T HA 0.272 4.622 4.350 -0.000 0.000 0.296 285 T C 0.374 175.059 174.700 -0.025 0.000 0.947 285 T CA -0.161 61.929 62.100 -0.017 0.000 1.141 285 T CB 0.921 69.781 68.868 -0.014 0.000 0.891 285 T HN 0.245 nan 8.240 nan 0.000 0.533 286 V N 5.779 125.676 119.914 -0.028 0.000 2.421 286 V HA 0.034 4.153 4.120 -0.000 0.000 0.271 286 V C 1.212 177.285 176.094 -0.035 0.000 1.031 286 V CA 0.176 62.454 62.300 -0.037 0.000 1.032 286 V CB 0.748 32.547 31.823 -0.039 0.000 1.009 286 V HN 0.834 nan 8.190 nan 0.000 0.477 287 V N 4.046 123.936 119.914 -0.039 0.000 3.431 287 V HA 0.431 4.551 4.120 -0.000 0.000 0.253 287 V C 0.811 176.882 176.094 -0.039 0.000 1.184 287 V CA 1.110 63.389 62.300 -0.035 0.000 1.104 287 V CB 0.367 32.171 31.823 -0.031 0.000 0.799 287 V HN 0.896 nan 8.190 nan 0.000 0.462 288 A N -0.051 122.739 122.820 -0.051 0.000 2.572 288 A HA 0.843 5.163 4.320 -0.000 0.000 0.295 288 A C -0.508 177.035 177.584 -0.068 0.000 1.072 288 A CA 0.165 52.169 52.037 -0.054 0.000 0.691 288 A CB 1.952 20.919 19.000 -0.056 0.000 1.291 288 A HN 0.369 nan 8.150 nan 0.000 0.404 289 S N 0.317 115.979 115.700 -0.064 0.000 2.570 289 S HA 0.853 5.323 4.470 -0.000 0.000 0.270 289 S C -1.162 173.400 174.600 -0.062 0.000 1.149 289 S CA -0.784 57.372 58.200 -0.073 0.000 0.837 289 S CB 1.963 65.124 63.200 -0.065 0.000 1.124 289 S HN 1.127 nan 8.310 nan 0.000 0.465 290 K N 0.726 121.086 120.400 -0.066 0.000 2.535 290 K HA 0.463 4.783 4.320 -0.000 0.000 0.250 290 K C -1.563 175.014 176.600 -0.039 0.000 0.948 290 K CA -0.148 56.113 56.287 -0.045 0.000 0.796 290 K CB 1.899 34.376 32.500 -0.037 0.000 1.216 290 K HN 0.789 nan 8.250 nan 0.000 0.432 291 Q N 1.736 121.518 119.800 -0.030 0.000 2.309 291 Q HA 0.408 4.748 4.340 -0.000 0.000 0.264 291 Q C -0.380 175.625 176.000 0.008 0.000 1.008 291 Q CA -1.037 54.749 55.803 -0.029 0.000 0.853 291 Q CB 1.933 30.632 28.738 -0.064 0.000 1.314 291 Q HN 0.879 nan 8.270 nan 0.000 0.448 292 S N 0.786 116.517 115.700 0.052 0.000 2.606 292 S HA 0.479 4.949 4.470 -0.000 0.000 0.257 292 S C 0.382 175.022 174.600 0.066 0.000 1.327 292 S CA -0.552 57.704 58.200 0.092 0.000 0.984 292 S CB 0.644 63.976 63.200 0.220 0.000 0.941 292 S HN 0.708 nan 8.310 nan 0.000 0.576 293 A N 1.460 124.327 122.820 0.079 0.000 2.536 293 A HA 0.437 4.757 4.320 -0.000 0.000 0.234 293 A C -2.232 175.412 177.584 0.099 0.000 1.076 293 A CA -0.943 51.140 52.037 0.076 0.000 0.769 293 A CB -1.270 17.777 19.000 0.080 0.000 1.020 293 A HN 0.725 nan 8.150 nan 0.000 0.508 294 P HA 0.030 nan 4.420 nan 0.000 0.267 294 P C 0.927 178.328 177.300 0.169 0.000 1.200 294 P CA -0.327 62.834 63.100 0.103 0.000 0.772 294 P CB 0.366 32.120 31.700 0.091 0.000 0.855 295 L N 2.808 124.156 121.223 0.209 0.000 2.079 295 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 295 L C 2.254 179.234 176.870 0.183 0.000 1.081 295 L CA 1.935 56.926 54.840 0.253 0.000 0.752 295 L CB -1.353 40.882 42.059 0.292 0.000 0.896 295 L HN 0.489 nan 8.230 nan 0.000 0.433 296 H N -0.387 118.737 119.070 0.090 0.000 2.352 296 H HA -0.175 4.381 4.556 -0.000 0.000 0.299 296 H C 1.612 176.962 175.328 0.038 0.000 1.097 296 H CA 2.071 58.147 56.048 0.047 0.000 1.311 296 H CB 0.114 29.896 29.762 0.034 0.000 1.377 296 H HN 0.425 nan 8.280 nan 0.000 0.504 297 D N 0.358 120.872 120.400 0.190 0.000 2.117 297 D HA -0.107 4.533 4.640 -0.000 0.000 0.197 297 D C 2.645 178.990 176.300 0.076 0.000 0.987 297 D CA 0.550 54.627 54.000 0.129 0.000 0.829 297 D CB -0.305 40.563 40.800 0.114 0.000 0.961 297 D HN 0.365 nan 8.370 nan 0.000 0.460 298 L N 0.153 121.438 121.223 0.104 0.000 2.027 298 L HA -0.107 4.233 4.340 -0.000 0.000 0.206 298 L C 2.509 179.411 176.870 0.055 0.000 1.074 298 L CA 0.666 55.571 54.840 0.107 0.000 0.745 298 L CB -0.432 41.752 42.059 0.209 0.000 0.898 298 L HN 0.052 nan 8.230 nan 0.000 0.433 299 L N -0.080 121.148 121.223 0.008 0.000 2.127 299 L HA -0.243 4.096 4.340 -0.000 0.000 0.211 299 L C 2.683 179.464 176.870 -0.149 0.000 1.089 299 L CA 1.284 56.073 54.840 -0.086 0.000 0.757 299 L CB -0.514 41.434 42.059 -0.184 0.000 0.899 299 L HN 0.277 nan 8.230 nan 0.000 0.434 300 K N 0.962 121.268 120.400 -0.156 0.000 2.002 300 K HA -0.181 4.139 4.320 -0.000 0.000 0.209 300 K C 2.111 178.685 176.600 -0.043 0.000 1.048 300 K CA 1.449 57.668 56.287 -0.112 0.000 0.930 300 K CB -0.113 32.358 32.500 -0.047 0.000 0.714 300 K HN 0.151 nan 8.250 nan 0.000 0.438 301 I N 1.027 121.593 120.570 -0.007 0.000 2.151 301 I HA -0.360 3.809 4.170 -0.000 0.000 0.243 301 I C 2.689 178.808 176.117 0.004 0.000 1.080 301 I CA 1.523 62.829 61.300 0.009 0.000 1.339 301 I CB -0.245 37.771 38.000 0.026 0.000 1.039 301 I HN 0.399 nan 8.210 nan 0.000 0.409 302 M N 0.486 120.088 119.600 0.003 0.000 2.080 302 M HA -0.252 4.227 4.480 -0.000 0.000 0.260 302 M C 2.254 178.554 176.300 -0.000 0.000 1.068 302 M CA 2.030 57.337 55.300 0.012 0.000 1.109 302 M CB -0.031 32.585 32.600 0.027 0.000 1.342 302 M HN 0.211 nan 8.290 nan 0.000 0.405 303 L N -0.464 120.742 121.223 -0.028 0.000 2.131 303 L HA -0.144 4.196 4.340 -0.000 0.000 0.206 303 L C 2.492 179.361 176.870 -0.001 0.000 1.087 303 L CA 0.585 55.413 54.840 -0.021 0.000 0.767 303 L CB -0.575 41.441 42.059 -0.072 0.000 0.917 303 L HN 0.162 nan 8.230 nan 0.000 0.441 304 K N 0.229 120.626 120.400 -0.004 0.000 2.103 304 K HA -0.045 4.275 4.320 -0.000 0.000 0.204 304 K C 1.711 178.319 176.600 0.013 0.000 1.052 304 K CA 1.071 57.365 56.287 0.012 0.000 0.945 304 K CB 0.057 32.566 32.500 0.015 0.000 0.722 304 K HN 0.180 nan 8.250 nan 0.000 0.443 305 K N -0.199 120.206 120.400 0.008 0.000 2.373 305 K HA 0.081 4.401 4.320 -0.000 0.000 0.200 305 K C 0.105 176.702 176.600 -0.005 0.000 1.054 305 K CA -0.036 56.253 56.287 0.004 0.000 1.065 305 K CB 0.761 33.266 32.500 0.007 0.000 0.886 305 K HN -0.039 nan 8.250 nan 0.000 0.546 306 S N 2.628 118.326 115.700 -0.003 0.000 3.766 306 S HA -0.141 4.329 4.470 -0.000 0.000 0.416 306 S C -0.563 174.031 174.600 -0.009 0.000 0.902 306 S CA 0.294 58.489 58.200 -0.009 0.000 1.283 306 S CB -1.194 61.988 63.200 -0.030 0.000 0.891 306 S HN 0.377 nan 8.310 nan 0.000 0.556 307 D N 1.513 121.918 120.400 0.010 0.000 2.393 307 D HA 0.254 4.894 4.640 -0.000 0.000 0.232 307 D C 1.348 177.668 176.300 0.033 0.000 1.192 307 D CA -0.464 53.548 54.000 0.019 0.000 0.882 307 D CB 0.307 41.124 40.800 0.027 0.000 1.038 307 D HN 0.431 nan 8.370 nan 0.000 0.499 308 N N 3.499 122.212 118.700 0.021 0.000 2.149 308 N HA -0.191 4.549 4.740 -0.000 0.000 0.188 308 N C 1.563 177.123 175.510 0.084 0.000 1.019 308 N CA 0.856 53.922 53.050 0.027 0.000 0.857 308 N CB -0.167 38.307 38.487 -0.022 0.000 0.997 308 N HN 0.566 nan 8.380 nan 0.000 0.426 309 M N 0.248 119.894 119.600 0.077 0.000 2.156 309 M HA 0.014 4.494 4.480 -0.000 0.000 0.264 309 M C 1.760 178.128 176.300 0.112 0.000 1.067 309 M CA 1.105 56.470 55.300 0.108 0.000 1.131 309 M CB 0.081 32.724 32.600 0.072 0.000 1.368 309 M HN -0.012 nan 8.290 nan 0.000 0.416 310 I N 0.374 120.993 120.570 0.081 0.000 2.226 310 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 310 I C 2.641 178.860 176.117 0.169 0.000 1.100 310 I CA 1.188 62.542 61.300 0.092 0.000 1.374 310 I CB -0.760 37.287 38.000 0.077 0.000 1.057 310 I HN 0.369 nan 8.210 nan 0.000 0.413 311 A N 0.522 123.438 122.820 0.159 0.000 1.908 311 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 311 A C 1.975 179.730 177.584 0.284 0.000 1.181 311 A CA 2.190 54.345 52.037 0.196 0.000 0.627 311 A CB -0.531 18.555 19.000 0.145 0.000 0.818 311 A HN 0.362 nan 8.150 nan 0.000 0.445 312 D N -0.910 119.674 120.400 0.306 0.000 2.213 312 D HA -0.068 4.572 4.640 -0.000 0.000 0.205 312 D C 2.318 178.840 176.300 0.369 0.000 0.961 312 D CA 1.771 56.032 54.000 0.435 0.000 0.853 312 D CB -0.436 40.732 40.800 0.614 0.000 0.967 312 D HN 0.631 nan 8.370 nan 0.000 0.496 313 T N -0.988 113.765 114.554 0.332 0.000 2.777 313 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 313 T C 2.249 177.255 174.700 0.509 0.000 1.040 313 T CA 0.803 63.141 62.100 0.396 0.000 1.141 313 T CB -0.764 68.237 68.868 0.222 0.000 0.868 313 T HN -0.077 nan 8.240 nan 0.000 0.444 314 V N 1.052 121.251 119.914 0.476 0.000 2.287 314 V HA -0.097 4.023 4.120 -0.000 0.000 0.248 314 V C 2.196 178.436 176.094 0.244 0.000 1.053 314 V CA 2.048 64.584 62.300 0.393 0.000 1.027 314 V CB -1.006 31.008 31.823 0.318 0.000 0.646 314 V HN 0.484 nan 8.190 nan 0.000 0.447 315 F N 1.056 121.076 119.950 0.116 0.000 2.095 315 F HA -0.189 4.337 4.527 -0.000 0.000 0.298 315 F C 2.621 178.368 175.800 -0.088 0.000 1.104 315 F CA 1.865 59.894 58.000 0.047 0.000 1.232 315 F CB -0.240 38.843 39.000 0.140 0.000 0.987 315 F HN -0.057 nan 8.300 nan 0.000 0.475 316 R N -0.719 119.702 120.500 -0.131 0.000 2.148 316 R HA -0.138 4.202 4.340 -0.000 0.000 0.223 316 R C 2.076 178.245 176.300 -0.218 0.000 1.088 316 R CA 1.306 57.086 56.100 -0.533 0.000 0.985 316 R CB -0.417 29.096 30.300 -1.310 0.000 0.880 316 R HN 0.343 nan 8.270 nan 0.000 0.451 317 M N 0.832 120.487 119.600 0.092 0.000 2.175 317 M HA -0.088 4.392 4.480 -0.000 0.000 0.264 317 M C 1.786 178.042 176.300 -0.074 0.000 1.063 317 M CA 1.556 56.946 55.300 0.150 0.000 1.119 317 M CB -0.056 32.599 32.600 0.091 0.000 1.377 317 M HN 0.034 nan 8.290 nan 0.000 0.415 318 I N -0.692 119.763 120.570 -0.190 0.000 2.208 318 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 318 I C 2.343 178.275 176.117 -0.309 0.000 1.097 318 I CA 1.469 62.604 61.300 -0.275 0.000 1.363 318 I CB -1.184 36.643 38.000 -0.289 0.000 1.051 318 I HN 0.477 nan 8.210 nan 0.000 0.413 319 G N -0.413 108.204 108.800 -0.304 0.000 2.402 319 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.216 319 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.216 319 G C 1.481 176.323 174.900 -0.097 0.000 1.162 319 G CA 1.168 46.129 45.100 -0.233 0.000 0.777 319 G HN 0.433 nan 8.290 nan 0.000 0.539 320 H N 1.281 120.290 119.070 -0.101 0.000 2.290 320 H HA 0.072 4.628 4.556 -0.000 0.000 0.298 320 H C 2.654 177.950 175.328 -0.052 0.000 1.087 320 H CA 2.194 58.238 56.048 -0.006 0.000 1.291 320 H CB -0.404 29.415 29.762 0.094 0.000 1.369 320 H HN 0.265 nan 8.280 nan 0.000 0.492 321 A N 0.694 123.370 122.820 -0.239 0.000 1.877 321 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 321 A C 2.512 179.906 177.584 -0.317 0.000 1.186 321 A CA 1.849 53.705 52.037 -0.301 0.000 0.620 321 A CB -0.776 18.080 19.000 -0.240 0.000 0.822 321 A HN 0.523 nan 8.150 nan 0.000 0.443 322 R N -2.009 118.241 120.500 -0.417 0.000 2.092 322 R HA -0.074 4.266 4.340 -0.000 0.000 0.231 322 R C 0.846 176.845 176.300 -0.502 0.000 1.119 322 R CA 1.729 57.479 56.100 -0.582 0.000 0.970 322 R CB -0.185 29.527 30.300 -0.980 0.000 0.864 322 R HN 0.483 nan 8.270 nan 0.000 0.440 323 F N -0.157 119.723 119.950 -0.117 0.000 2.682 323 F HA 0.276 4.803 4.527 -0.000 0.000 0.308 323 F C 0.298 176.040 175.800 -0.098 0.000 1.093 323 F CA -0.682 57.264 58.000 -0.090 0.000 1.244 323 F CB -0.197 38.761 39.000 -0.068 0.000 1.052 323 F HN 0.005 nan 8.300 nan 0.000 0.573 324 N N 1.344 120.021 118.700 -0.038 0.000 2.714 324 N HA -0.174 4.566 4.740 -0.000 0.000 0.253 324 N C -0.956 174.559 175.510 0.008 0.000 1.024 324 N CA 0.858 53.848 53.050 -0.100 0.000 0.726 324 N CB -0.963 37.492 38.487 -0.053 0.000 0.908 324 N HN 0.207 nan 8.380 nan 0.000 0.542 325 V N -3.492 116.464 119.914 0.071 0.000 3.130 325 V HA 0.846 4.966 4.120 -0.000 0.000 0.310 325 V C -2.451 173.821 176.094 0.296 0.000 1.158 325 V CA -2.261 60.128 62.300 0.148 0.000 1.029 325 V CB 1.986 33.878 31.823 0.116 0.000 1.057 325 V HN -0.064 nan 8.190 nan 0.000 0.436 326 P HA 0.207 nan 4.420 nan 0.000 0.264 326 P C 0.382 177.794 177.300 0.187 0.000 1.183 326 P CA 0.833 64.072 63.100 0.231 0.000 0.763 326 P CB 0.247 32.027 31.700 0.132 0.000 0.807 327 G N 2.536 111.466 108.800 0.216 0.000 2.343 327 G HA2 0.422 4.382 3.960 -0.000 0.000 0.254 327 G HA3 0.422 4.382 3.960 -0.000 0.000 0.254 327 G C -0.007 174.698 174.900 -0.325 0.000 1.277 327 G CA 0.000 45.074 45.100 -0.045 0.000 0.909 327 G HN 0.557 nan 8.290 nan 0.000 0.502 328 T N -0.715 113.660 114.554 -0.298 0.000 2.887 328 T HA 0.354 4.704 4.350 -0.000 0.000 0.292 328 T C 0.759 175.257 174.700 -0.338 0.000 1.087 328 T CA -0.981 60.918 62.100 -0.336 0.000 1.009 328 T CB 1.200 70.014 68.868 -0.090 0.000 1.203 328 T HN 0.499 nan 8.240 nan 0.000 0.518 329 W N 0.230 121.524 121.300 -0.011 0.000 2.358 329 W HA 0.067 4.727 4.660 -0.000 0.000 0.303 329 W C 2.957 179.567 176.519 0.152 0.000 1.208 329 W CA 0.848 58.267 57.345 0.123 0.000 1.274 329 W CB -0.210 29.270 29.460 0.034 0.000 1.138 329 W HN 0.705 nan 8.180 nan 0.000 0.515 330 R N 0.754 121.412 120.500 0.263 0.000 2.073 330 R HA -0.139 4.201 4.340 -0.000 0.000 0.234 330 R C 2.289 178.660 176.300 0.118 0.000 1.134 330 R CA 1.886 58.092 56.100 0.176 0.000 0.952 330 R CB -0.656 29.710 30.300 0.110 0.000 0.850 330 R HN 0.104 nan 8.270 nan 0.000 0.433 331 A N 0.120 122.982 122.820 0.070 0.000 1.933 331 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 331 A C 2.333 179.948 177.584 0.051 0.000 1.175 331 A CA 1.672 53.785 52.037 0.127 0.000 0.628 331 A CB -1.246 17.840 19.000 0.142 0.000 0.814 331 A HN 0.596 nan 8.150 nan 0.000 0.444 332 G N -0.564 108.120 108.800 -0.193 0.000 2.446 332 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.217 332 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.217 332 G C 1.844 176.434 174.900 -0.517 0.000 1.168 332 G CA 1.348 46.012 45.100 -0.727 0.000 0.771 332 G HN 0.490 nan 8.290 nan 0.000 0.551 333 S N 0.928 116.659 115.700 0.052 0.000 2.359 333 S HA -0.126 4.344 4.470 -0.000 0.000 0.224 333 S C 2.047 176.739 174.600 0.153 0.000 1.035 333 S CA 1.525 59.896 58.200 0.285 0.000 1.018 333 S CB -0.348 63.058 63.200 0.344 0.000 0.876 333 S HN 0.357 nan 8.310 nan 0.000 0.448 334 D N 1.552 122.042 120.400 0.150 0.000 2.117 334 D HA -0.014 4.626 4.640 -0.000 0.000 0.197 334 D C 2.153 178.592 176.300 0.233 0.000 0.987 334 D CA 1.318 55.428 54.000 0.184 0.000 0.829 334 D CB -0.517 40.387 40.800 0.173 0.000 0.961 334 D HN 0.380 nan 8.370 nan 0.000 0.460 335 A N 0.412 123.344 122.820 0.187 0.000 1.873 335 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 335 A C 2.526 180.052 177.584 -0.097 0.000 1.186 335 A CA 1.255 53.234 52.037 -0.096 0.000 0.616 335 A CB -0.796 17.959 19.000 -0.408 0.000 0.823 335 A HN 0.139 nan 8.150 nan 0.000 0.442 336 V N 0.302 120.166 119.914 -0.084 0.000 2.343 336 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 336 V C 2.667 178.773 176.094 0.019 0.000 1.051 336 V CA 2.338 64.626 62.300 -0.021 0.000 1.036 336 V CB -0.861 31.008 31.823 0.076 0.000 0.654 336 V HN 0.688 nan 8.190 nan 0.000 0.451 337 R N -0.237 120.296 120.500 0.055 0.000 2.091 337 R HA -0.215 4.125 4.340 -0.000 0.000 0.238 337 R C 2.366 178.682 176.300 0.025 0.000 1.136 337 R CA 1.969 58.100 56.100 0.052 0.000 0.959 337 R CB -0.221 30.124 30.300 0.074 0.000 0.856 337 R HN 0.587 nan 8.270 nan 0.000 0.437 338 Q N 0.013 119.835 119.800 0.035 0.000 2.079 338 Q HA -0.127 4.213 4.340 -0.000 0.000 0.200 338 Q C 2.249 178.232 176.000 -0.029 0.000 0.974 338 Q CA 1.624 57.442 55.803 0.025 0.000 0.840 338 Q CB -0.031 28.752 28.738 0.076 0.000 0.898 338 Q HN 0.432 nan 8.270 nan 0.000 0.430 339 I N 0.608 121.141 120.570 -0.062 0.000 2.179 339 I HA -0.297 3.873 4.170 -0.000 0.000 0.242 339 I C 2.156 178.205 176.117 -0.113 0.000 1.088 339 I CA 1.062 62.304 61.300 -0.096 0.000 1.357 339 I CB -0.214 37.719 38.000 -0.112 0.000 1.051 339 I HN 0.180 nan 8.210 nan 0.000 0.409 340 L N 0.207 121.374 121.223 -0.095 0.000 2.083 340 L HA -0.221 4.119 4.340 -0.000 0.000 0.209 340 L C 2.727 179.521 176.870 -0.127 0.000 1.083 340 L CA 1.244 56.007 54.840 -0.129 0.000 0.752 340 L CB -0.533 41.483 42.059 -0.071 0.000 0.899 340 L HN 0.238 nan 8.230 nan 0.000 0.433 341 R N 0.247 120.705 120.500 -0.071 0.000 2.062 341 R HA -0.117 4.223 4.340 -0.000 0.000 0.226 341 R C 2.165 178.431 176.300 -0.058 0.000 1.125 341 R CA 1.527 57.598 56.100 -0.049 0.000 0.966 341 R CB -0.183 30.107 30.300 -0.016 0.000 0.861 341 R HN 0.350 nan 8.270 nan 0.000 0.433 342 Q N -1.100 118.665 119.800 -0.058 0.000 2.250 342 Q HA 0.016 4.356 4.340 -0.000 0.000 0.200 342 Q C 1.716 177.678 176.000 -0.063 0.000 0.941 342 Q CA 0.983 56.759 55.803 -0.045 0.000 0.872 342 Q CB 0.411 29.131 28.738 -0.029 0.000 0.965 342 Q HN 0.258 nan 8.270 nan 0.000 0.480 343 Q N -0.848 118.886 119.800 -0.111 0.000 2.402 343 Q HA 0.220 4.560 4.340 -0.000 0.000 0.231 343 Q C 1.079 176.932 176.000 -0.245 0.000 0.888 343 Q CA 0.942 56.670 55.803 -0.126 0.000 0.938 343 Q CB 0.711 29.377 28.738 -0.120 0.000 1.086 343 Q HN 0.283 nan 8.270 nan 0.000 0.543 344 A N -0.948 121.632 122.820 -0.399 0.000 2.343 344 A HA 0.520 4.839 4.320 -0.000 0.000 0.223 344 A C 1.304 178.670 177.584 -0.364 0.000 1.214 344 A CA 0.473 52.008 52.037 -0.837 0.000 0.900 344 A CB -0.056 18.271 19.000 -1.123 0.000 0.942 344 A HN 0.307 nan 8.150 nan 0.000 0.507 345 G N -0.749 107.959 108.800 -0.154 0.000 2.179 345 G HA2 -0.192 3.767 3.960 -0.000 0.000 0.257 345 G HA3 -0.192 3.767 3.960 -0.000 0.000 0.257 345 G C 0.068 174.950 174.900 -0.031 0.000 1.010 345 G CA 0.415 45.491 45.100 -0.040 0.000 0.736 345 G HN 0.891 nan 8.290 nan 0.000 0.513 346 V N 0.958 120.828 119.914 -0.072 0.000 2.328 346 V HA 0.436 4.556 4.120 -0.000 0.000 0.278 346 V C -0.116 175.965 176.094 -0.023 0.000 1.021 346 V CA -0.776 61.502 62.300 -0.038 0.000 0.838 346 V CB 1.759 33.548 31.823 -0.057 0.000 0.999 346 V HN 0.341 nan 8.190 nan 0.000 0.447 347 D N 4.705 125.105 120.400 -0.001 0.000 2.380 347 D HA 0.222 4.862 4.640 -0.000 0.000 0.230 347 D C 1.086 177.396 176.300 0.017 0.000 1.154 347 D CA -0.451 53.553 54.000 0.008 0.000 0.859 347 D CB 1.176 41.983 40.800 0.012 0.000 1.045 347 D HN 0.586 nan 8.370 nan 0.000 0.495 348 I N 1.270 121.853 120.570 0.022 0.000 3.428 348 I HA 0.255 4.425 4.170 -0.000 0.000 0.286 348 I C 1.342 177.481 176.117 0.037 0.000 1.287 348 I CA 0.060 61.381 61.300 0.034 0.000 1.396 348 I CB -0.419 37.607 38.000 0.045 0.000 1.062 348 I HN 0.453 nan 8.210 nan 0.000 0.471 349 G N 3.879 112.698 108.800 0.031 0.000 2.629 349 G HA2 -0.460 3.500 3.960 -0.000 0.000 0.313 349 G HA3 -0.460 3.500 3.960 -0.000 0.000 0.313 349 G C 0.548 175.467 174.900 0.031 0.000 1.217 349 G CA 0.815 45.932 45.100 0.028 0.000 0.994 349 G HN 0.710 nan 8.290 nan 0.000 0.549 350 N N 1.253 119.971 118.700 0.030 0.000 2.434 350 N HA 0.144 4.884 4.740 -0.000 0.000 0.196 350 N C 0.745 176.276 175.510 0.036 0.000 1.183 350 N CA 1.242 54.310 53.050 0.029 0.000 0.849 350 N CB -0.545 37.955 38.487 0.022 0.000 0.992 350 N HN 0.616 nan 8.380 nan 0.000 0.460 351 T N 2.216 116.798 114.554 0.046 0.000 2.933 351 T HA 0.030 4.380 4.350 -0.000 0.000 0.306 351 T C 0.341 175.076 174.700 0.059 0.000 1.045 351 T CA 0.207 62.342 62.100 0.057 0.000 1.143 351 T CB 0.512 69.420 68.868 0.066 0.000 1.003 351 T HN 0.123 nan 8.240 nan 0.000 0.540 352 I N 4.520 125.126 120.570 0.060 0.000 2.339 352 I HA 0.390 4.560 4.170 -0.000 0.000 0.290 352 I C 0.160 176.331 176.117 0.089 0.000 0.994 352 I CA -0.450 60.892 61.300 0.069 0.000 1.191 352 I CB 1.117 39.148 38.000 0.053 0.000 1.343 352 I HN 0.554 nan 8.210 nan 0.000 0.458 353 I N 5.188 125.830 120.570 0.119 0.000 2.382 353 I HA 0.373 4.543 4.170 -0.000 0.000 0.286 353 I C 0.826 177.043 176.117 0.167 0.000 1.002 353 I CA -0.164 61.223 61.300 0.144 0.000 1.135 353 I CB 1.997 40.124 38.000 0.212 0.000 1.288 353 I HN 0.692 nan 8.210 nan 0.000 0.448 354 A N 4.375 127.242 122.820 0.078 0.000 2.167 354 A HA 0.220 4.540 4.320 -0.000 0.000 0.208 354 A C 0.194 177.697 177.584 -0.135 0.000 1.198 354 A CA 0.583 52.642 52.037 0.037 0.000 0.863 354 A CB 0.020 19.020 19.000 -0.000 0.000 0.904 354 A HN 0.770 nan 8.150 nan 0.000 0.484 355 D N -4.447 115.727 120.400 -0.377 0.000 2.768 355 D HA 0.421 5.061 4.640 -0.000 0.000 0.327 355 D C 0.797 176.437 176.300 -1.101 0.000 1.302 355 D CA 0.234 53.743 54.000 -0.818 0.000 0.897 355 D CB 0.377 41.046 40.800 -0.218 0.000 1.420 355 D HN -0.060 nan 8.370 nan 0.000 0.494 356 G N -1.190 107.148 108.800 -0.771 0.000 2.595 356 G HA2 0.030 3.990 3.960 -0.000 0.000 0.213 356 G HA3 0.030 3.990 3.960 -0.000 0.000 0.213 356 G C 1.108 176.029 174.900 0.035 0.000 1.141 356 G CA 0.771 45.794 45.100 -0.128 0.000 0.806 356 G HN 0.561 nan 8.290 nan 0.000 0.530 357 S N -0.694 115.033 115.700 0.044 0.000 2.478 357 S HA 0.342 4.812 4.470 -0.000 0.000 0.222 357 S C 1.944 176.535 174.600 -0.015 0.000 1.008 357 S CA 1.141 59.362 58.200 0.035 0.000 0.928 357 S CB 0.023 63.238 63.200 0.025 0.000 0.781 357 S HN 1.435 nan 8.310 nan 0.000 0.518 358 G N 1.197 109.982 108.800 -0.025 0.000 2.157 358 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.248 358 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.248 358 G C 0.583 175.432 174.900 -0.086 0.000 0.979 358 G CA 0.393 45.464 45.100 -0.048 0.000 0.650 358 G HN 0.485 nan 8.290 nan 0.000 0.529 359 L N 0.742 121.886 121.223 -0.131 0.000 2.079 359 L HA 0.047 4.386 4.340 -0.000 0.000 0.210 359 L C 2.125 178.909 176.870 -0.144 0.000 1.081 359 L CA 1.331 55.994 54.840 -0.294 0.000 0.752 359 L CB -0.349 41.205 42.059 -0.842 0.000 0.896 359 L HN 0.411 nan 8.230 nan 0.000 0.433 360 S N -0.072 115.674 115.700 0.077 0.000 2.533 360 S HA 0.029 4.499 4.470 -0.000 0.000 0.282 360 S C 1.295 175.900 174.600 0.009 0.000 1.304 360 S CA -0.652 57.627 58.200 0.132 0.000 1.063 360 S CB 0.544 63.771 63.200 0.045 0.000 0.881 360 S HN 0.153 nan 8.310 nan 0.000 0.493 361 R N 3.346 123.839 120.500 -0.012 0.000 2.339 361 R HA -0.003 4.336 4.340 -0.000 0.000 0.199 361 R C 1.163 177.545 176.300 0.137 0.000 1.018 361 R CA 0.939 57.057 56.100 0.029 0.000 1.036 361 R CB -0.784 29.538 30.300 0.037 0.000 0.899 361 R HN 0.788 nan 8.270 nan 0.000 0.473 362 H N -0.274 118.797 119.070 0.000 0.000 2.535 362 H HA 0.092 4.648 4.556 -0.000 0.000 0.273 362 H C 0.074 175.397 175.328 -0.009 0.000 0.983 362 H CA -0.426 55.616 56.048 -0.009 0.000 1.238 362 H CB 0.197 29.948 29.762 -0.018 0.000 1.412 362 H HN 0.233 nan 8.280 nan 0.000 0.562 363 N N 1.588 120.349 118.700 0.102 0.000 2.458 363 N HA 0.162 4.902 4.740 -0.000 0.000 0.258 363 N C -1.076 174.450 175.510 0.026 0.000 1.219 363 N CA 0.269 53.349 53.050 0.050 0.000 0.902 363 N CB 0.939 39.431 38.487 0.009 0.000 1.076 363 N HN 0.136 nan 8.380 nan 0.000 0.455 364 L N 3.332 124.574 121.223 0.031 0.000 2.516 364 L HA 0.564 4.904 4.340 -0.000 0.000 0.267 364 L C -1.304 175.594 176.870 0.048 0.000 0.957 364 L CA -0.436 54.417 54.840 0.023 0.000 0.860 364 L CB 1.593 43.667 42.059 0.025 0.000 1.265 364 L HN 0.563 nan 8.230 nan 0.000 0.403 365 I N 2.314 122.923 120.570 0.066 0.000 2.775 365 I HA 0.602 4.772 4.170 -0.000 0.000 0.295 365 I C -0.678 175.568 176.117 0.215 0.000 1.287 365 I CA -0.374 61.004 61.300 0.131 0.000 1.029 365 I CB 2.224 40.315 38.000 0.151 0.000 1.282 365 I HN 0.666 nan 8.210 nan 0.000 0.426 366 A N 7.410 130.333 122.820 0.173 0.000 2.354 366 A HA 0.572 4.892 4.320 -0.000 0.000 0.269 366 A C -2.134 175.533 177.584 0.138 0.000 1.109 366 A CA -1.348 50.789 52.037 0.168 0.000 0.800 366 A CB 0.256 19.314 19.000 0.097 0.000 1.045 366 A HN 0.614 nan 8.150 nan 0.000 0.489 367 P HA -0.255 nan 4.420 nan 0.000 0.217 367 P C 1.583 178.852 177.300 -0.052 0.000 1.151 367 P CA 2.516 65.539 63.100 -0.129 0.000 0.849 367 P CB 0.180 31.814 31.700 -0.110 0.000 0.787 368 A N -1.499 121.326 122.820 0.007 0.000 1.972 368 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 368 A C 2.185 179.779 177.584 0.018 0.000 1.169 368 A CA 2.184 54.229 52.037 0.013 0.000 0.635 368 A CB -1.654 17.362 19.000 0.027 0.000 0.810 368 A HN 0.168 nan 8.150 nan 0.000 0.446 369 T N -0.678 113.896 114.554 0.033 0.000 2.809 369 T HA -0.094 4.256 4.350 -0.000 0.000 0.260 369 T C 1.920 176.637 174.700 0.028 0.000 1.039 369 T CA 1.673 63.796 62.100 0.039 0.000 1.141 369 T CB -0.244 68.659 68.868 0.059 0.000 0.869 369 T HN 0.397 nan 8.240 nan 0.000 0.437 370 M N 1.273 120.888 119.600 0.024 0.000 2.202 370 M HA 0.013 4.493 4.480 -0.000 0.000 0.262 370 M C 2.076 178.343 176.300 -0.055 0.000 1.063 370 M CA 1.414 56.709 55.300 -0.008 0.000 1.097 370 M CB -0.598 31.982 32.600 -0.033 0.000 1.382 370 M HN 0.174 nan 8.290 nan 0.000 0.413 371 M N 0.079 119.644 119.600 -0.059 0.000 2.149 371 M HA -0.221 4.259 4.480 -0.000 0.000 0.261 371 M C 1.884 178.183 176.300 -0.002 0.000 1.064 371 M CA 1.944 57.214 55.300 -0.051 0.000 1.102 371 M CB -0.534 32.049 32.600 -0.029 0.000 1.369 371 M HN 0.457 nan 8.290 nan 0.000 0.408 372 Q N -1.171 118.640 119.800 0.019 0.000 2.124 372 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 372 Q C 2.036 178.079 176.000 0.073 0.000 0.977 372 Q CA 1.804 57.636 55.803 0.050 0.000 0.850 372 Q CB -0.340 28.423 28.738 0.042 0.000 0.901 372 Q HN 0.445 nan 8.270 nan 0.000 0.429 373 V N 1.203 121.140 119.914 0.039 0.000 2.295 373 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 373 V C 2.206 178.336 176.094 0.059 0.000 1.049 373 V CA 1.584 63.908 62.300 0.039 0.000 1.024 373 V CB -0.554 31.272 31.823 0.006 0.000 0.648 373 V HN 0.346 nan 8.190 nan 0.000 0.447 374 L N -0.466 120.761 121.223 0.006 0.000 2.046 374 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 374 L C 2.810 179.811 176.870 0.218 0.000 1.077 374 L CA 1.417 56.276 54.840 0.032 0.000 0.747 374 L CB -0.719 41.191 42.059 -0.250 0.000 0.896 374 L HN 0.354 nan 8.230 nan 0.000 0.432 375 Q N -0.760 119.131 119.800 0.151 0.000 2.084 375 Q HA -0.247 4.093 4.340 -0.000 0.000 0.202 375 Q C 2.104 178.194 176.000 0.150 0.000 0.978 375 Q CA 1.798 57.696 55.803 0.158 0.000 0.844 375 Q CB -0.528 28.280 28.738 0.116 0.000 0.898 375 Q HN 0.515 nan 8.270 nan 0.000 0.426 376 Y N 1.270 121.613 120.300 0.072 0.000 2.097 376 Y HA -0.247 4.303 4.550 -0.000 0.000 0.282 376 Y C 2.177 178.138 175.900 0.101 0.000 1.152 376 Y CA 1.545 59.702 58.100 0.096 0.000 1.136 376 Y CB -0.353 38.115 38.460 0.014 0.000 0.975 376 Y HN -0.005 nan 8.280 nan 0.000 0.498 377 I N -0.011 120.628 120.570 0.115 0.000 2.163 377 I HA -0.401 3.769 4.170 -0.000 0.000 0.243 377 I C 2.681 178.721 176.117 -0.129 0.000 1.085 377 I CA 1.447 62.702 61.300 -0.075 0.000 1.347 377 I CB -0.796 37.031 38.000 -0.288 0.000 1.044 377 I HN 0.363 nan 8.210 nan 0.000 0.408 378 A N 0.061 122.819 122.820 -0.104 0.000 1.902 378 A HA -0.310 4.010 4.320 -0.000 0.000 0.217 378 A C 2.288 179.764 177.584 -0.181 0.000 1.181 378 A CA 2.089 53.979 52.037 -0.245 0.000 0.623 378 A CB -0.779 18.119 19.000 -0.169 0.000 0.818 378 A HN 0.556 nan 8.150 nan 0.000 0.443 379 Q N -1.185 118.522 119.800 -0.155 0.000 2.167 379 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 379 Q C 0.836 176.581 176.000 -0.425 0.000 0.970 379 Q CA 1.854 57.503 55.803 -0.257 0.000 0.855 379 Q CB -0.158 28.436 28.738 -0.239 0.000 0.911 379 Q HN 0.800 nan 8.270 nan 0.000 0.438 380 H N -0.619 118.244 119.070 -0.345 0.000 2.505 380 H HA 0.146 4.702 4.556 -0.000 0.000 0.286 380 H C 0.174 175.418 175.328 -0.141 0.000 1.072 380 H CA 0.166 56.047 56.048 -0.280 0.000 1.141 380 H CB 0.504 30.001 29.762 -0.442 0.000 1.550 380 H HN 0.358 nan 8.280 nan 0.000 0.547 381 D N 0.476 120.838 120.400 -0.063 0.000 2.178 381 D HA -0.142 4.498 4.640 -0.000 0.000 0.201 381 D C 1.357 177.665 176.300 0.013 0.000 0.980 381 D CA 1.226 55.216 54.000 -0.017 0.000 0.842 381 D CB 0.062 40.805 40.800 -0.095 0.000 0.948 381 D HN 0.442 nan 8.370 nan 0.000 0.472 382 N N -0.497 118.189 118.700 -0.024 0.000 2.309 382 N HA -0.103 4.637 4.740 -0.000 0.000 0.182 382 N C 1.380 176.901 175.510 0.018 0.000 1.018 382 N CA 0.654 53.697 53.050 -0.012 0.000 0.876 382 N CB 0.095 38.560 38.487 -0.037 0.000 0.972 382 N HN 0.347 nan 8.380 nan 0.000 0.434 383 E N 0.574 120.799 120.200 0.042 0.000 2.086 383 E HA -0.000 4.350 4.350 -0.000 0.000 0.190 383 E C 1.687 178.352 176.600 0.108 0.000 0.975 383 E CA 0.644 57.089 56.400 0.075 0.000 0.813 383 E CB 0.146 29.914 29.700 0.113 0.000 0.768 383 E HN 0.289 nan 8.360 nan 0.000 0.457 384 L N 0.515 121.829 121.223 0.152 0.000 2.375 384 L HA 0.044 4.384 4.340 -0.000 0.000 0.215 384 L C 0.698 177.732 176.870 0.273 0.000 1.108 384 L CA 0.045 55.025 54.840 0.234 0.000 0.830 384 L CB -0.326 41.923 42.059 0.316 0.000 0.959 384 L HN 0.229 nan 8.230 nan 0.000 0.457 385 N N -0.579 118.241 118.700 0.200 0.000 2.688 385 N HA -0.300 4.440 4.740 -0.000 0.000 0.258 385 N C 0.518 176.224 175.510 0.327 0.000 1.016 385 N CA 0.056 53.227 53.050 0.202 0.000 0.747 385 N CB -0.630 37.916 38.487 0.098 0.000 0.895 385 N HN 0.351 nan 8.380 nan 0.000 0.543 386 F N 0.779 120.800 119.950 0.119 0.000 2.343 386 F HA 0.291 4.817 4.527 -0.000 0.000 0.286 386 F C 2.042 177.883 175.800 0.067 0.000 1.057 386 F CA 0.211 58.270 58.000 0.098 0.000 1.365 386 F CB 0.036 39.092 39.000 0.094 0.000 1.114 386 F HN 0.200 nan 8.300 nan 0.000 0.545 387 I N 0.574 121.372 120.570 0.381 0.000 2.248 387 I HA -0.332 3.838 4.170 -0.000 0.000 0.248 387 I C 2.387 178.592 176.117 0.147 0.000 1.107 387 I CA 1.622 63.064 61.300 0.237 0.000 1.373 387 I CB -0.678 37.303 38.000 -0.031 0.000 1.055 387 I HN 0.273 nan 8.210 nan 0.000 0.418 388 S N 0.454 116.214 115.700 0.100 0.000 2.500 388 S HA -0.096 4.374 4.470 -0.000 0.000 0.239 388 S C 1.807 176.434 174.600 0.046 0.000 0.989 388 S CA 0.793 59.030 58.200 0.062 0.000 0.951 388 S CB -0.343 62.892 63.200 0.059 0.000 0.759 388 S HN 0.447 nan 8.310 nan 0.000 0.523 389 M N 0.552 120.160 119.600 0.012 0.000 2.476 389 M HA 0.288 4.768 4.480 -0.000 0.000 0.262 389 M C 0.242 176.522 176.300 -0.033 0.000 1.111 389 M CA 0.342 55.598 55.300 -0.074 0.000 1.127 389 M CB -0.271 32.153 32.600 -0.294 0.000 1.376 389 M HN 0.263 nan 8.290 nan 0.000 0.465 390 L N 1.329 122.581 121.223 0.047 0.000 2.439 390 L HA 0.200 4.540 4.340 -0.000 0.000 0.269 390 L C -2.077 174.838 176.870 0.075 0.000 1.179 390 L CA -1.992 52.903 54.840 0.092 0.000 0.828 390 L CB -0.133 42.044 42.059 0.197 0.000 1.106 390 L HN -0.246 nan 8.230 nan 0.000 0.467 391 P HA -0.041 nan 4.420 nan 0.000 0.264 391 P C -0.820 176.532 177.300 0.087 0.000 1.183 391 P CA -0.045 63.097 63.100 0.070 0.000 0.763 391 P CB 0.449 32.186 31.700 0.062 0.000 0.807 392 L N 3.982 125.261 121.223 0.093 0.000 2.272 392 L HA 0.563 4.903 4.340 -0.000 0.000 0.289 392 L C -0.080 176.904 176.870 0.190 0.000 1.032 392 L CA -0.826 54.075 54.840 0.101 0.000 0.810 392 L CB 0.485 42.534 42.059 -0.017 0.000 1.205 392 L HN 0.383 nan 8.230 nan 0.000 0.422 393 A N 4.021 126.936 122.820 0.159 0.000 2.566 393 A HA 0.442 4.762 4.320 -0.000 0.000 0.245 393 A C 1.359 179.090 177.584 0.246 0.000 1.056 393 A CA 0.691 52.814 52.037 0.143 0.000 0.757 393 A CB -0.794 18.247 19.000 0.068 0.000 0.979 393 A HN 1.894 nan 8.150 nan 0.000 0.508 394 G N 1.063 109.959 108.800 0.160 0.000 2.175 394 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.244 394 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.244 394 G C 0.385 175.185 174.900 -0.168 0.000 0.982 394 G CA 1.003 46.124 45.100 0.035 0.000 0.641 394 G HN 0.884 nan 8.290 nan 0.000 0.527 395 Y N 0.894 121.220 120.300 0.042 0.000 2.784 395 Y HA 0.400 4.950 4.550 -0.000 0.000 0.267 395 Y C 1.000 176.918 175.900 0.030 0.000 1.117 395 Y CA 0.680 58.800 58.100 0.034 0.000 1.231 395 Y CB 0.630 39.111 38.460 0.034 0.000 1.441 395 Y HN 0.429 nan 8.280 nan 0.000 0.469 396 D N -1.588 118.939 120.400 0.211 0.000 2.615 396 D HA 0.469 5.109 4.640 -0.000 0.000 0.267 396 D C 0.653 177.006 176.300 0.088 0.000 1.236 396 D CA -0.069 54.006 54.000 0.125 0.000 0.839 396 D CB 1.020 41.887 40.800 0.112 0.000 1.380 396 D HN 0.385 nan 8.370 nan 0.000 0.433 397 G N 0.095 108.931 108.800 0.061 0.000 2.581 397 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.291 397 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.291 397 G C 0.925 175.849 174.900 0.039 0.000 1.277 397 G CA 0.780 45.905 45.100 0.042 0.000 0.959 397 G HN 0.923 nan 8.290 nan 0.000 0.554 398 S N -0.069 115.649 115.700 0.029 0.000 2.474 398 S HA 0.071 4.541 4.470 -0.000 0.000 0.235 398 S C 1.927 176.540 174.600 0.021 0.000 0.997 398 S CA 1.472 59.682 58.200 0.017 0.000 0.949 398 S CB -0.088 63.116 63.200 0.006 0.000 0.766 398 S HN 0.487 nan 8.310 nan 0.000 0.517 399 L N 0.849 122.094 121.223 0.037 0.000 2.769 399 L HA 0.251 4.591 4.340 -0.000 0.000 0.240 399 L C 2.050 178.951 176.870 0.052 0.000 1.163 399 L CA -0.024 54.835 54.840 0.031 0.000 0.962 399 L CB -0.212 41.870 42.059 0.039 0.000 1.258 399 L HN 0.232 nan 8.230 nan 0.000 0.513 400 Q N 0.940 120.780 119.800 0.067 0.000 2.096 400 Q HA -0.226 4.113 4.340 -0.000 0.000 0.208 400 Q C 0.004 176.070 176.000 0.110 0.000 0.993 400 Q CA 1.857 57.706 55.803 0.077 0.000 0.862 400 Q CB 0.171 28.945 28.738 0.060 0.000 0.915 400 Q HN 0.420 nan 8.270 nan 0.000 0.416 401 Y N -0.151 120.127 120.300 -0.036 0.000 2.400 401 Y HA 0.421 4.971 4.550 -0.000 0.000 0.335 401 Y C -1.560 174.327 175.900 -0.022 0.000 1.066 401 Y CA -1.177 56.889 58.100 -0.057 0.000 1.285 401 Y CB 0.819 39.218 38.460 -0.101 0.000 1.103 401 Y HN -0.126 nan 8.280 nan 0.000 0.490 402 R N 4.302 124.552 120.500 -0.417 0.000 2.239 402 R HA 0.653 4.993 4.340 -0.000 0.000 0.332 402 R C 0.804 176.726 176.300 -0.630 0.000 0.988 402 R CA 0.560 56.399 56.100 -0.436 0.000 0.859 402 R CB 0.905 31.084 30.300 -0.201 0.000 1.148 402 R HN 0.802 nan 8.270 nan 0.000 0.482 403 A N 3.726 126.038 122.820 -0.846 0.000 1.903 403 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 403 A C 1.948 179.406 177.584 -0.211 0.000 1.191 403 A CA 2.161 53.837 52.037 -0.602 0.000 0.638 403 A CB -1.241 17.608 19.000 -0.252 0.000 0.823 403 A HN 0.874 nan 8.150 nan 0.000 0.451 404 G N -0.600 108.098 108.800 -0.170 0.000 2.418 404 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.217 404 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.217 404 G C 1.558 176.399 174.900 -0.097 0.000 1.158 404 G CA 1.014 46.058 45.100 -0.094 0.000 0.771 404 G HN 0.455 nan 8.290 nan 0.000 0.545 405 L N -0.470 120.666 121.223 -0.144 0.000 2.056 405 L HA -0.038 4.302 4.340 -0.000 0.000 0.207 405 L C 2.623 179.438 176.870 -0.091 0.000 1.078 405 L CA 1.446 56.195 54.840 -0.151 0.000 0.749 405 L CB -0.673 41.273 42.059 -0.189 0.000 0.901 405 L HN 0.287 nan 8.230 nan 0.000 0.433 406 H N 0.596 119.581 119.070 -0.143 0.000 2.319 406 H HA -0.210 4.346 4.556 -0.000 0.000 0.299 406 H C 2.289 177.597 175.328 -0.033 0.000 1.092 406 H CA 1.969 57.987 56.048 -0.050 0.000 1.302 406 H CB 0.018 29.820 29.762 0.066 0.000 1.373 406 H HN 0.288 nan 8.280 nan 0.000 0.497 407 Q N -0.637 119.083 119.800 -0.133 0.000 2.291 407 Q HA -0.001 4.339 4.340 -0.000 0.000 0.205 407 Q C 2.257 178.166 176.000 -0.153 0.000 0.970 407 Q CA 0.784 56.498 55.803 -0.150 0.000 0.876 407 Q CB 0.063 28.783 28.738 -0.030 0.000 0.935 407 Q HN 0.619 nan 8.270 nan 0.000 0.455 408 A N 0.201 122.939 122.820 -0.137 0.000 2.168 408 A HA 0.169 4.489 4.320 -0.000 0.000 0.215 408 A C 1.549 179.021 177.584 -0.186 0.000 1.152 408 A CA 0.920 52.884 52.037 -0.121 0.000 0.716 408 A CB -0.389 18.570 19.000 -0.068 0.000 0.794 408 A HN 0.457 nan 8.150 nan 0.000 0.465 409 G N -1.464 107.188 108.800 -0.246 0.000 2.137 409 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.237 409 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.237 409 G C 0.729 175.402 174.900 -0.378 0.000 1.002 409 G CA 0.784 45.711 45.100 -0.288 0.000 0.702 409 G HN 1.687 nan 8.290 nan 0.000 0.515 410 V N -2.720 117.013 119.914 -0.301 0.000 3.319 410 V HA 0.379 4.499 4.120 -0.000 0.000 0.317 410 V C 0.438 176.464 176.094 -0.114 0.000 1.411 410 V CA -0.099 62.022 62.300 -0.299 0.000 1.112 410 V CB 0.254 31.934 31.823 -0.238 0.000 1.031 410 V HN 0.096 nan 8.190 nan 0.000 0.448 411 D N 2.423 122.795 120.400 -0.047 0.000 2.525 411 D HA 0.376 5.015 4.640 -0.000 0.000 0.235 411 D C 1.552 177.937 176.300 0.143 0.000 1.137 411 D CA 2.097 56.146 54.000 0.082 0.000 0.868 411 D CB 0.923 41.799 40.800 0.127 0.000 1.180 411 D HN 0.639 nan 8.370 nan 0.000 0.465 412 G N 2.262 111.223 108.800 0.268 0.000 2.184 412 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.264 412 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.264 412 G C 1.089 176.045 174.900 0.092 0.000 0.975 412 G CA 0.339 45.573 45.100 0.224 0.000 0.642 412 G HN 0.464 nan 8.290 nan 0.000 0.536 413 K N -0.616 119.832 120.400 0.079 0.000 2.373 413 K HA 0.435 4.755 4.320 -0.000 0.000 0.200 413 K C 0.459 177.138 176.600 0.131 0.000 1.054 413 K CA 0.305 56.651 56.287 0.098 0.000 1.065 413 K CB 1.478 34.022 32.500 0.072 0.000 0.886 413 K HN 0.361 nan 8.250 nan 0.000 0.546 414 V N 1.643 121.624 119.914 0.112 0.000 2.444 414 V HA 0.302 4.422 4.120 -0.000 0.000 0.294 414 V C -0.523 175.669 176.094 0.163 0.000 1.022 414 V CA -0.687 61.709 62.300 0.159 0.000 0.850 414 V CB 1.884 33.748 31.823 0.068 0.000 0.992 414 V HN -0.039 nan 8.190 nan 0.000 0.426 415 S N 3.833 119.667 115.700 0.224 0.000 2.566 415 S HA 0.871 5.341 4.470 -0.000 0.000 0.324 415 S C -0.123 174.595 174.600 0.197 0.000 1.081 415 S CA -0.326 57.995 58.200 0.201 0.000 1.105 415 S CB 1.390 64.727 63.200 0.228 0.000 0.981 415 S HN 1.098 nan 8.310 nan 0.000 0.464 416 A N 2.915 125.809 122.820 0.122 0.000 2.594 416 A HA 0.800 5.120 4.320 -0.000 0.000 0.295 416 A C -1.307 176.298 177.584 0.036 0.000 1.071 416 A CA -0.897 51.156 52.037 0.025 0.000 0.685 416 A CB 1.361 20.384 19.000 0.039 0.000 1.285 416 A HN 0.475 nan 8.150 nan 0.000 0.405 417 K N 1.064 121.465 120.400 0.001 0.000 2.183 417 K HA 0.606 4.926 4.320 -0.000 0.000 0.274 417 K C 0.278 176.898 176.600 0.034 0.000 1.009 417 K CA 0.274 56.581 56.287 0.034 0.000 0.888 417 K CB 0.864 33.398 32.500 0.056 0.000 1.078 417 K HN 0.889 nan 8.250 nan 0.000 0.459 418 T N 0.107 114.682 114.554 0.034 0.000 2.899 418 T HA 0.665 5.015 4.350 -0.000 0.000 0.284 418 T C 0.373 175.084 174.700 0.019 0.000 1.004 418 T CA -0.790 61.330 62.100 0.034 0.000 1.043 418 T CB 1.459 70.333 68.868 0.010 0.000 1.013 418 T HN 0.540 nan 8.240 nan 0.000 0.518 419 G N 0.476 109.284 108.800 0.013 0.000 2.760 419 G HA2 0.536 4.496 3.960 -0.000 0.000 0.285 419 G HA3 0.536 4.496 3.960 -0.000 0.000 0.285 419 G C -1.049 173.789 174.900 -0.103 0.000 1.496 419 G CA -0.690 44.386 45.100 -0.040 0.000 1.026 419 G HN 0.750 nan 8.290 nan 0.000 0.536 420 S N 1.113 116.715 115.700 -0.163 0.000 2.614 420 S HA 0.810 5.280 4.470 -0.000 0.000 0.288 420 S C -0.380 174.049 174.600 -0.285 0.000 1.137 420 S CA -0.622 57.430 58.200 -0.247 0.000 0.992 420 S CB 1.310 64.382 63.200 -0.214 0.000 1.026 420 S HN 1.118 nan 8.310 nan 0.000 0.486 421 L N 0.107 121.134 121.223 -0.327 0.000 3.041 421 L HA 0.570 4.910 4.340 -0.000 0.000 0.278 421 L C -0.845 175.856 176.870 -0.281 0.000 1.051 421 L CA -1.257 53.407 54.840 -0.293 0.000 0.957 421 L CB 1.213 43.122 42.059 -0.249 0.000 1.538 421 L HN 0.446 nan 8.230 nan 0.000 0.393 422 Q N 0.853 120.538 119.800 -0.193 0.000 2.339 422 Q HA 0.214 4.554 4.340 -0.000 0.000 0.308 422 Q C 1.008 176.958 176.000 -0.083 0.000 1.097 422 Q CA 1.909 57.641 55.803 -0.119 0.000 1.007 422 Q CB 0.263 28.961 28.738 -0.066 0.000 1.051 422 Q HN 1.163 nan 8.270 nan 0.000 0.381 423 G N 2.686 111.471 108.800 -0.025 0.000 2.184 423 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.264 423 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.264 423 G C -0.142 174.809 174.900 0.085 0.000 0.975 423 G CA 0.221 45.410 45.100 0.147 0.000 0.642 423 G HN 0.557 nan 8.290 nan 0.000 0.536 424 V N 0.113 119.886 119.914 -0.236 0.000 2.448 424 V HA 0.667 4.787 4.120 -0.000 0.000 0.295 424 V C -0.528 175.267 176.094 -0.499 0.000 1.025 424 V CA -0.732 61.448 62.300 -0.200 0.000 0.859 424 V CB 1.522 33.247 31.823 -0.164 0.000 0.988 424 V HN 0.247 nan 8.190 nan 0.000 0.431 425 Y N 2.928 123.221 120.300 -0.011 0.000 2.535 425 Y HA 0.393 4.943 4.550 -0.000 0.000 0.351 425 Y C 0.514 176.463 175.900 0.082 0.000 1.050 425 Y CA -0.518 57.575 58.100 -0.012 0.000 1.168 425 Y CB 0.646 39.050 38.460 -0.094 0.000 1.116 425 Y HN 0.619 nan 8.280 nan 0.000 0.654 426 N N 2.109 120.907 118.700 0.164 0.000 2.515 426 N HA 0.711 5.451 4.740 -0.000 0.000 0.279 426 N C -1.244 174.408 175.510 0.238 0.000 1.164 426 N CA -0.543 52.668 53.050 0.268 0.000 0.982 426 N CB 1.414 40.053 38.487 0.253 0.000 1.170 426 N HN 0.248 nan 8.380 nan 0.000 0.474 427 L N 0.996 122.390 121.223 0.286 0.000 2.482 427 L HA 0.669 5.009 4.340 -0.000 0.000 0.263 427 L C -1.364 175.551 176.870 0.075 0.000 0.957 427 L CA -0.708 54.261 54.840 0.216 0.000 0.836 427 L CB 2.027 44.296 42.059 0.350 0.000 1.324 427 L HN 0.627 nan 8.230 nan 0.000 0.406 428 A N 2.111 124.831 122.820 -0.168 0.000 2.429 428 A HA 0.937 5.257 4.320 -0.000 0.000 0.289 428 A C -0.282 176.895 177.584 -0.678 0.000 1.043 428 A CA 0.323 52.081 52.037 -0.465 0.000 0.722 428 A CB 1.831 20.700 19.000 -0.219 0.000 1.243 428 A HN 0.947 nan 8.150 nan 0.000 0.415 429 G N 0.547 108.601 108.800 -1.243 0.000 2.566 429 G HA2 0.502 4.462 3.960 -0.000 0.000 0.138 429 G HA3 0.502 4.462 3.960 -0.000 0.000 0.138 429 G C -1.597 172.466 174.900 -1.395 0.000 1.133 429 G CA -0.336 44.084 45.100 -1.135 0.000 1.037 429 G HN 0.863 nan 8.290 nan 0.000 0.491 430 F N 0.167 120.044 119.950 -0.121 0.000 2.576 430 F HA 0.821 5.348 4.527 -0.000 0.000 0.313 430 F C -0.130 175.886 175.800 0.360 0.000 1.078 430 F CA -0.777 57.312 58.000 0.149 0.000 0.921 430 F CB 2.517 41.565 39.000 0.079 0.000 1.232 430 F HN 0.475 nan 8.300 nan 0.000 0.459 431 I N 1.031 121.921 120.570 0.534 0.000 2.582 431 I HA 0.507 4.677 4.170 -0.000 0.000 0.292 431 I C -1.043 175.244 176.117 0.283 0.000 1.066 431 I CA -0.126 61.396 61.300 0.371 0.000 1.053 431 I CB 1.932 40.106 38.000 0.290 0.000 1.241 431 I HN 0.537 nan 8.210 nan 0.000 0.421 432 T N 5.291 119.989 114.554 0.240 0.000 2.767 432 T HA 0.264 4.614 4.350 -0.000 0.000 0.288 432 T C -0.066 174.776 174.700 0.237 0.000 0.963 432 T CA -0.038 62.177 62.100 0.192 0.000 1.019 432 T CB 1.163 70.123 68.868 0.154 0.000 0.923 432 T HN 0.660 nan 8.240 nan 0.000 0.468 433 T N 1.412 116.017 114.554 0.085 0.000 2.897 433 T HA 0.547 4.897 4.350 -0.000 0.000 0.278 433 T C 1.690 176.121 174.700 -0.447 0.000 0.981 433 T CA -0.123 61.895 62.100 -0.137 0.000 0.973 433 T CB 0.624 69.423 68.868 -0.115 0.000 1.092 433 T HN 0.582 nan 8.240 nan 0.000 0.543 434 A N 1.090 123.268 122.820 -1.070 0.000 1.917 434 A HA -0.087 4.232 4.320 -0.000 0.000 0.219 434 A C 2.421 179.837 177.584 -0.280 0.000 1.182 434 A CA 2.630 54.205 52.037 -0.771 0.000 0.633 434 A CB -1.237 17.339 19.000 -0.705 0.000 0.819 434 A HN 0.988 nan 8.150 nan 0.000 0.448 435 S N -2.047 113.522 115.700 -0.218 0.000 2.555 435 S HA 0.324 4.794 4.470 -0.000 0.000 0.230 435 S C 1.517 176.077 174.600 -0.067 0.000 0.978 435 S CA 1.184 59.318 58.200 -0.110 0.000 0.934 435 S CB -0.353 62.794 63.200 -0.088 0.000 0.766 435 S HN 2.001 nan 8.310 nan 0.000 0.533 436 G N 0.619 109.381 108.800 -0.064 0.000 2.175 436 G HA2 -0.304 3.655 3.960 -0.000 0.000 0.244 436 G HA3 -0.304 3.655 3.960 -0.000 0.000 0.244 436 G C -0.095 174.805 174.900 -0.000 0.000 0.982 436 G CA 0.149 45.240 45.100 -0.013 0.000 0.641 436 G HN 0.783 nan 8.290 nan 0.000 0.527 437 Q N 0.777 120.570 119.800 -0.012 0.000 2.289 437 Q HA 0.340 4.680 4.340 -0.000 0.000 0.273 437 Q C 0.617 176.644 176.000 0.045 0.000 1.029 437 Q CA -0.331 55.478 55.803 0.009 0.000 0.896 437 Q CB 0.336 29.072 28.738 -0.003 0.000 1.182 437 Q HN 0.511 nan 8.270 nan 0.000 0.385 438 R N 4.976 125.512 120.500 0.061 0.000 2.308 438 R HA 0.292 4.632 4.340 -0.000 0.000 0.305 438 R C -0.657 175.733 176.300 0.151 0.000 1.053 438 R CA -0.199 55.969 56.100 0.113 0.000 0.957 438 R CB 0.585 30.935 30.300 0.083 0.000 1.022 438 R HN 0.641 nan 8.270 nan 0.000 0.461 439 M N 2.933 122.663 119.600 0.217 0.000 2.528 439 M HA 0.464 4.944 4.480 -0.000 0.000 0.321 439 M C -0.502 175.998 176.300 0.333 0.000 1.153 439 M CA -0.967 54.470 55.300 0.229 0.000 0.951 439 M CB 1.944 34.656 32.600 0.187 0.000 1.705 439 M HN 0.640 nan 8.290 nan 0.000 0.451 440 A N 2.645 125.612 122.820 0.245 0.000 2.303 440 A HA 0.940 5.260 4.320 -0.000 0.000 0.317 440 A C -0.997 176.641 177.584 0.091 0.000 1.149 440 A CA -0.438 51.623 52.037 0.041 0.000 0.822 440 A CB 0.620 19.606 19.000 -0.023 0.000 1.131 440 A HN 0.811 nan 8.150 nan 0.000 0.493 441 F N -0.435 119.422 119.950 -0.154 0.000 2.631 441 F HA 0.752 5.279 4.527 -0.000 0.000 0.308 441 F C -1.367 174.355 175.800 -0.129 0.000 1.097 441 F CA -1.230 56.724 58.000 -0.077 0.000 0.952 441 F CB 1.444 40.469 39.000 0.042 0.000 1.307 441 F HN 0.319 nan 8.300 nan 0.000 0.450 442 V N 2.400 122.325 119.914 0.018 0.000 2.569 442 V HA 0.427 4.547 4.120 -0.000 0.000 0.301 442 V C -1.150 174.947 176.094 0.005 0.000 1.044 442 V CA -0.526 61.666 62.300 -0.180 0.000 0.874 442 V CB 1.523 33.103 31.823 -0.406 0.000 1.002 442 V HN 0.930 nan 8.190 nan 0.000 0.424 443 Q N 4.670 124.540 119.800 0.118 0.000 2.381 443 Q HA 0.461 4.801 4.340 -0.000 0.000 0.263 443 Q C -1.881 174.312 176.000 0.322 0.000 1.030 443 Q CA -0.504 55.456 55.803 0.263 0.000 0.772 443 Q CB 1.245 30.250 28.738 0.444 0.000 1.232 443 Q HN 0.814 nan 8.270 nan 0.000 0.476 444 Y N 4.619 125.033 120.300 0.191 0.000 2.402 444 Y HA 0.396 4.946 4.550 -0.000 0.000 0.332 444 Y C -0.483 175.508 175.900 0.151 0.000 0.960 444 Y CA -0.959 57.227 58.100 0.144 0.000 1.228 444 Y CB 1.320 39.847 38.460 0.111 0.000 1.120 444 Y HN 0.455 nan 8.280 nan 0.000 0.491 445 L N 4.898 126.307 121.223 0.309 0.000 2.376 445 L HA 0.556 4.896 4.340 -0.000 0.000 0.275 445 L C -0.757 176.229 176.870 0.193 0.000 0.987 445 L CA -0.162 54.813 54.840 0.226 0.000 0.828 445 L CB 1.595 43.790 42.059 0.226 0.000 1.249 445 L HN 0.670 nan 8.230 nan 0.000 0.409 446 S N 1.400 117.194 115.700 0.157 0.000 2.685 446 S HA 0.770 5.239 4.470 -0.000 0.000 0.282 446 S C 0.448 175.130 174.600 0.136 0.000 1.159 446 S CA -0.012 58.264 58.200 0.126 0.000 0.833 446 S CB 1.801 65.034 63.200 0.055 0.000 1.151 446 S HN 1.171 nan 8.310 nan 0.000 0.485 447 G N -0.205 108.663 108.800 0.113 0.000 2.179 447 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.257 447 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.257 447 G C -0.106 174.867 174.900 0.120 0.000 1.010 447 G CA 0.576 45.728 45.100 0.088 0.000 0.736 447 G HN 1.170 nan 8.290 nan 0.000 0.513 448 Y N 1.457 121.810 120.300 0.087 0.000 3.028 448 Y HA 0.510 5.060 4.550 -0.000 0.000 0.381 448 Y C 1.220 177.181 175.900 0.103 0.000 1.139 448 Y CA 0.103 58.267 58.100 0.107 0.000 2.013 448 Y CB -0.662 37.937 38.460 0.231 0.000 2.146 448 Y HN 0.584 nan 8.280 nan 0.000 0.412 449 A N 1.500 124.353 122.820 0.055 0.000 2.302 449 A HA 0.665 4.985 4.320 -0.000 0.000 0.285 449 A C -0.572 176.979 177.584 -0.055 0.000 1.105 449 A CA -0.188 51.865 52.037 0.027 0.000 0.816 449 A CB 0.410 19.420 19.000 0.016 0.000 1.067 449 A HN 0.454 nan 8.150 nan 0.000 0.489 450 V N -0.506 119.395 119.914 -0.023 0.000 3.001 450 V HA 0.560 4.680 4.120 -0.000 0.000 0.314 450 V C -0.270 175.812 176.094 -0.021 0.000 1.099 450 V CA -1.139 61.133 62.300 -0.047 0.000 0.989 450 V CB 1.412 33.215 31.823 -0.034 0.000 1.040 450 V HN 0.930 nan 8.190 nan 0.000 0.434 451 E N 2.501 122.685 120.200 -0.027 0.000 2.413 451 E HA 0.138 4.487 4.350 -0.000 0.000 0.263 451 E C -1.817 174.780 176.600 -0.004 0.000 1.015 451 E CA -1.258 55.134 56.400 -0.014 0.000 0.916 451 E CB 0.486 30.176 29.700 -0.017 0.000 0.947 451 E HN 0.502 nan 8.360 nan 0.000 0.440 452 P HA -0.276 nan 4.420 nan 0.000 0.219 452 P C 0.791 178.094 177.300 0.005 0.000 1.153 452 P CA 1.833 64.937 63.100 0.007 0.000 0.865 452 P CB 0.077 31.784 31.700 0.012 0.000 0.788 453 A N -1.940 120.881 122.820 0.002 0.000 2.252 453 A HA -0.026 4.294 4.320 -0.000 0.000 0.207 453 A C 1.247 178.831 177.584 0.000 0.000 1.194 453 A CA 0.941 52.978 52.037 0.000 0.000 0.809 453 A CB -0.586 18.413 19.000 -0.001 0.000 0.814 453 A HN 0.031 nan 8.150 nan 0.000 0.482 454 D N -1.990 118.411 120.400 0.002 0.000 2.704 454 D HA 0.037 4.677 4.640 -0.000 0.000 0.291 454 D C 1.244 177.554 176.300 0.017 0.000 1.610 454 D CA -0.060 53.943 54.000 0.005 0.000 0.807 454 D CB -0.059 40.738 40.800 -0.005 0.000 1.233 454 D HN 0.277 nan 8.370 nan 0.000 0.445 455 Q N 0.148 119.959 119.800 0.018 0.000 2.291 455 Q HA -0.048 4.292 4.340 -0.000 0.000 0.205 455 Q C 0.853 176.879 176.000 0.042 0.000 0.970 455 Q CA 0.848 56.669 55.803 0.030 0.000 0.876 455 Q CB 0.403 29.153 28.738 0.021 0.000 0.935 455 Q HN 0.116 nan 8.270 nan 0.000 0.455 456 R N -0.274 120.246 120.500 0.033 0.000 2.362 456 R HA 0.170 4.510 4.340 -0.000 0.000 0.227 456 R C 0.493 176.820 176.300 0.046 0.000 0.905 456 R CA 0.010 56.131 56.100 0.035 0.000 1.067 456 R CB 0.184 30.495 30.300 0.019 0.000 1.078 456 R HN 0.203 nan 8.270 nan 0.000 0.516 457 N N 1.170 119.902 118.700 0.054 0.000 2.227 457 N HA -0.027 4.713 4.740 -0.000 0.000 0.196 457 N C 0.303 175.866 175.510 0.088 0.000 1.142 457 N CA -0.024 53.060 53.050 0.057 0.000 0.887 457 N CB 0.459 38.968 38.487 0.038 0.000 1.022 457 N HN 0.120 nan 8.380 nan 0.000 0.500 458 R N 1.831 122.409 120.500 0.130 0.000 2.903 458 R HA 0.023 4.363 4.340 -0.000 0.000 0.315 458 R C -0.150 176.300 176.300 0.250 0.000 1.219 458 R CA 0.558 56.798 56.100 0.233 0.000 0.977 458 R CB -0.061 30.444 30.300 0.341 0.000 1.042 458 R HN 0.062 nan 8.270 nan 0.000 0.466 459 R N 2.023 122.622 120.500 0.165 0.000 3.718 459 R HA 0.288 4.628 4.340 -0.000 0.000 0.136 459 R C 2.016 178.356 176.300 0.066 0.000 0.698 459 R CA 0.563 56.700 56.100 0.062 0.000 1.110 459 R CB -0.420 29.906 30.300 0.043 0.000 1.594 459 R HN 0.392 nan 8.270 nan 0.000 0.490 460 I N 2.167 122.783 120.570 0.076 0.000 2.094 460 I HA -0.318 3.852 4.170 -0.000 0.000 0.236 460 I C -0.854 175.312 176.117 0.081 0.000 1.016 460 I CA 1.980 63.317 61.300 0.062 0.000 1.294 460 I CB -1.534 36.495 38.000 0.048 0.000 1.006 460 I HN 0.097 nan 8.210 nan 0.000 0.397 461 P HA -0.192 nan 4.420 nan 0.000 0.215 461 P C 1.976 179.384 177.300 0.180 0.000 1.157 461 P CA 1.343 64.528 63.100 0.141 0.000 0.874 461 P CB -0.056 31.719 31.700 0.124 0.000 0.790 462 L N -0.543 120.767 121.223 0.146 0.000 1.990 462 L HA -0.176 4.164 4.340 -0.000 0.000 0.213 462 L C 2.182 179.066 176.870 0.025 0.000 1.072 462 L CA 1.978 56.772 54.840 -0.077 0.000 0.755 462 L CB -1.143 40.492 42.059 -0.707 0.000 0.889 462 L HN -0.188 nan 8.230 nan 0.000 0.432 463 V N -0.194 119.708 119.914 -0.020 0.000 2.295 463 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 463 V C 2.806 178.911 176.094 0.018 0.000 1.049 463 V CA 1.740 64.030 62.300 -0.017 0.000 1.024 463 V CB -0.828 30.985 31.823 -0.018 0.000 0.648 463 V HN 0.431 nan 8.190 nan 0.000 0.447 464 R N -0.509 120.021 120.500 0.049 0.000 2.096 464 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 464 R C 2.106 178.443 176.300 0.062 0.000 1.127 464 R CA 1.710 57.839 56.100 0.048 0.000 0.968 464 R CB -1.300 29.033 30.300 0.055 0.000 0.861 464 R HN 0.623 nan 8.270 nan 0.000 0.440 465 F N 2.104 122.036 119.950 -0.030 0.000 2.051 465 F HA -0.167 4.360 4.527 -0.000 0.000 0.296 465 F C 2.058 177.830 175.800 -0.047 0.000 1.122 465 F CA 1.548 59.522 58.000 -0.043 0.000 1.201 465 F CB -0.058 38.922 39.000 -0.033 0.000 0.978 465 F HN 0.009 nan 8.300 nan 0.000 0.472 466 E N -0.293 119.758 120.200 -0.248 0.000 2.077 466 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 466 E C 2.342 178.878 176.600 -0.107 0.000 0.989 466 E CA 1.343 57.618 56.400 -0.208 0.000 0.800 466 E CB -0.433 29.291 29.700 0.040 0.000 0.746 466 E HN 0.429 nan 8.360 nan 0.000 0.452 467 S N 0.754 116.401 115.700 -0.087 0.000 2.359 467 S HA -0.228 4.242 4.470 -0.000 0.000 0.224 467 S C 2.067 176.603 174.600 -0.107 0.000 1.035 467 S CA 1.604 59.760 58.200 -0.072 0.000 1.018 467 S CB -0.045 63.125 63.200 -0.050 0.000 0.876 467 S HN 0.146 nan 8.310 nan 0.000 0.448 468 R N -0.168 120.244 120.500 -0.147 0.000 2.062 468 R HA 0.017 4.357 4.340 -0.000 0.000 0.229 468 R C 2.366 178.516 176.300 -0.251 0.000 1.128 468 R CA 1.461 57.467 56.100 -0.156 0.000 0.960 468 R CB -0.618 29.611 30.300 -0.118 0.000 0.855 468 R HN 0.457 nan 8.270 nan 0.000 0.432 469 L N 0.055 121.003 121.223 -0.458 0.000 1.970 469 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 469 L C 1.749 178.240 176.870 -0.631 0.000 1.071 469 L CA 1.888 56.326 54.840 -0.671 0.000 0.751 469 L CB -0.746 40.604 42.059 -1.182 0.000 0.889 469 L HN 0.263 nan 8.230 nan 0.000 0.432 470 Y N -0.657 119.451 120.300 -0.319 0.000 2.373 470 Y HA -0.176 4.374 4.550 -0.000 0.000 0.293 470 Y C 2.521 178.346 175.900 -0.125 0.000 1.129 470 Y CA 1.266 59.215 58.100 -0.252 0.000 1.226 470 Y CB -0.398 37.887 38.460 -0.292 0.000 1.000 470 Y HN 0.228 nan 8.280 nan 0.000 0.549 471 K N 0.905 121.289 120.400 -0.027 0.000 2.026 471 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 471 K C 1.377 177.988 176.600 0.018 0.000 1.048 471 K CA 2.081 58.373 56.287 0.009 0.000 0.929 471 K CB -0.438 32.042 32.500 -0.033 0.000 0.713 471 K HN 0.092 nan 8.250 nan 0.000 0.439 472 D N 0.432 120.789 120.400 -0.072 0.000 2.108 472 D HA -0.192 4.448 4.640 -0.000 0.000 0.190 472 D C 1.944 178.205 176.300 -0.066 0.000 0.995 472 D CA 1.946 55.896 54.000 -0.083 0.000 0.834 472 D CB -0.336 40.378 40.800 -0.143 0.000 0.967 472 D HN 0.264 nan 8.370 nan 0.000 0.446 473 I N -0.268 120.237 120.570 -0.109 0.000 2.151 473 I HA -0.330 3.840 4.170 -0.000 0.000 0.243 473 I C 2.324 178.445 176.117 0.007 0.000 1.080 473 I CA 1.213 62.468 61.300 -0.076 0.000 1.339 473 I CB -0.340 37.581 38.000 -0.132 0.000 1.039 473 I HN 0.069 nan 8.210 nan 0.000 0.409 474 Y N 1.476 121.745 120.300 -0.051 0.000 2.114 474 Y HA -0.273 4.277 4.550 -0.000 0.000 0.284 474 Y C 2.712 178.599 175.900 -0.021 0.000 1.143 474 Y CA 1.771 59.860 58.100 -0.019 0.000 1.135 474 Y CB -0.286 38.168 38.460 -0.010 0.000 0.980 474 Y HN 0.132 nan 8.280 nan 0.000 0.499 475 Q N -0.425 119.381 119.800 0.011 0.000 2.123 475 Q HA -0.130 4.210 4.340 -0.000 0.000 0.199 475 Q C 1.335 177.271 176.000 -0.107 0.000 0.966 475 Q CA 1.171 56.931 55.803 -0.071 0.000 0.845 475 Q CB -0.048 28.712 28.738 0.037 0.000 0.907 475 Q HN 0.509 nan 8.270 nan 0.000 0.439 476 N N 0.430 119.085 118.700 -0.076 0.000 2.398 476 N HA 0.056 4.796 4.740 -0.000 0.000 0.188 476 N C -0.104 175.362 175.510 -0.073 0.000 1.122 476 N CA 0.331 53.341 53.050 -0.066 0.000 0.866 476 N CB 0.267 38.722 38.487 -0.053 0.000 0.970 476 N HN 0.223 nan 8.380 nan 0.000 0.462 477 N N 0.000 118.641 118.700 -0.098 0.000 1.763 477 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 477 N CA 0.000 53.001 53.050 -0.081 0.000 0.885 477 N CB 0.000 38.456 38.487 -0.051 0.000 1.341 477 N HN 0.000 nan 8.380 nan 0.000 0.667