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 1sr5_1_A DATA FIRST_RESID 5 DATA SEQUENCE VDIcTAKPRD IPMNPMcIYR SPXXXXXXXX XXXQKIPEAT NRRVWELSKA DATA SEQUENCE NSRFATTFYQ HLADSKNDND NIFLSPLSIS TAFAMTKLGA cNDTLQQLME DATA SEQUENCE VFKFDTISEK TSDQIHFFFA KLNcRLYRKA NKSSKLVSAN RLFGDKSLTF DATA SEQUENCE NETYQDISEL VYGAKLQPLD FKENAEQSRA AINKWVSNKT EGRITDVIPS DATA SEQUENCE EAINELTVLV LVNTIYFKGL WKSKFSPENT RKELFYKADG EScSASMMYQ DATA SEQUENCE EGKFRYRRVA EGTQVLELPF KGDDITMVLI LPKPEKSLAK VEKELTPEVL DATA SEQUENCE QEWLDELEEM MLVVHMPRFR IEDGFSLKEQ LQDMGLVDLF SPEKSKLPGI DATA SEQUENCE XXXXXDDLYV SDAFHKAFLE VNEEGXXAAA STAVVIAGRS LNPNRVTFKA DATA SEQUENCE NRPFLVFIRE VPLNTIIFMG RVANPcV 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 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.099 176.094 0.008 0.000 1.182 5 V CA 0.000 62.305 62.300 0.008 0.000 1.235 5 V CB 0.000 31.829 31.823 0.011 0.000 1.184 6 D N 2.622 123.029 120.400 0.012 0.000 2.392 6 D HA 0.507 5.145 4.640 -0.002 0.000 0.228 6 D C 0.980 177.290 176.300 0.016 0.000 1.074 6 D CA -0.355 53.650 54.000 0.007 0.000 0.838 6 D CB 1.600 42.405 40.800 0.008 0.000 1.067 6 D HN 0.511 nan 8.370 nan 0.000 0.511 7 I N 1.697 122.266 120.570 -0.002 0.000 2.226 7 I HA -0.258 3.910 4.170 -0.002 0.000 0.245 7 I C 2.408 178.504 176.117 -0.035 0.000 1.100 7 I CA 0.565 61.858 61.300 -0.011 0.000 1.374 7 I CB -0.276 37.678 38.000 -0.077 0.000 1.057 7 I HN 0.415 nan 8.210 nan 0.000 0.413 8 c N 0.543 119.117 118.600 -0.043 0.000 2.422 8 c HA -0.102 4.466 4.570 -0.002 0.000 0.279 8 c C 2.408 176.505 174.090 0.012 0.000 1.305 8 c CA 1.548 57.856 56.329 -0.035 0.000 1.757 8 c CB -1.414 41.082 42.510 -0.024 0.000 1.962 8 c HN 0.623 nan 8.230 nan 0.000 0.499 9 T N -1.927 112.643 114.554 0.026 0.000 3.258 9 T HA 0.611 4.959 4.350 -0.002 0.000 0.263 9 T C -0.013 174.723 174.700 0.061 0.000 0.983 9 T CA 0.255 62.379 62.100 0.041 0.000 0.907 9 T CB -0.092 68.792 68.868 0.028 0.000 1.096 9 T HN 0.413 nan 8.240 nan 0.000 0.556 10 A N 1.299 124.180 122.820 0.101 0.000 2.299 10 A HA 0.851 5.170 4.320 -0.002 0.000 0.332 10 A C -0.321 177.372 177.584 0.182 0.000 1.131 10 A CA -0.904 51.212 52.037 0.132 0.000 0.844 10 A CB 1.143 20.248 19.000 0.174 0.000 1.251 10 A HN 0.242 nan 8.150 nan 0.000 0.486 11 K N 0.661 121.089 120.400 0.046 0.000 2.397 11 K HA 0.375 4.694 4.320 -0.002 0.000 0.253 11 K C -2.385 173.999 176.600 -0.359 0.000 0.932 11 K CA -1.941 54.297 56.287 -0.082 0.000 0.795 11 K CB 1.864 34.335 32.500 -0.047 0.000 1.159 11 K HN 0.202 nan 8.250 nan 0.000 0.424 12 P HA -0.293 nan 4.420 nan 0.000 0.220 12 P C 1.167 178.218 177.300 -0.415 0.000 1.155 12 P CA 1.706 64.279 63.100 -0.879 0.000 0.880 12 P CB 0.237 31.493 31.700 -0.740 0.000 0.790 13 R N -0.317 120.031 120.500 -0.254 0.000 2.075 13 R HA -0.130 4.209 4.340 -0.002 0.000 0.232 13 R C 2.008 178.235 176.300 -0.121 0.000 1.126 13 R CA 2.222 58.232 56.100 -0.149 0.000 0.963 13 R CB -1.828 28.415 30.300 -0.096 0.000 0.858 13 R HN 0.152 nan 8.270 nan 0.000 0.435 14 D N 1.763 122.094 120.400 -0.115 0.000 2.228 14 D HA 0.018 4.657 4.640 -0.002 0.000 0.203 14 D C 1.166 177.426 176.300 -0.067 0.000 0.988 14 D CA 1.614 55.571 54.000 -0.072 0.000 0.864 14 D CB -0.135 40.636 40.800 -0.048 0.000 0.928 14 D HN 0.402 nan 8.370 nan 0.000 0.469 15 I N -0.636 119.874 120.570 -0.101 0.000 2.828 15 I HA 0.368 4.536 4.170 -0.002 0.000 0.302 15 I C -2.368 173.702 176.117 -0.080 0.000 1.101 15 I CA -2.497 58.762 61.300 -0.068 0.000 1.031 15 I CB 2.618 40.597 38.000 -0.035 0.000 1.231 15 I HN -0.104 nan 8.210 nan 0.000 0.427 16 P HA 0.031 nan 4.420 nan 0.000 0.262 16 P C 0.138 177.427 177.300 -0.018 0.000 1.199 16 P CA 0.255 63.337 63.100 -0.030 0.000 0.763 16 P CB 0.612 32.305 31.700 -0.011 0.000 0.790 17 M N 0.784 120.370 119.600 -0.023 0.000 2.338 17 M HA 0.162 4.641 4.480 -0.002 0.000 0.276 17 M C 1.162 177.514 176.300 0.087 0.000 1.057 17 M CA 0.829 56.144 55.300 0.024 0.000 1.079 17 M CB -1.593 30.944 32.600 -0.104 0.000 1.547 17 M HN 0.449 nan 8.290 nan 0.000 0.549 18 N N 3.222 121.943 118.700 0.036 0.000 2.365 18 N HA 0.341 5.080 4.740 -0.002 0.000 0.265 18 N C -1.339 174.197 175.510 0.042 0.000 1.288 18 N CA -0.406 52.667 53.050 0.037 0.000 0.869 18 N CB -0.535 37.962 38.487 0.017 0.000 1.071 18 N HN 0.599 nan 8.380 nan 0.000 0.480 19 P HA 0.201 nan 4.420 nan 0.000 0.204 19 P C 0.938 178.246 177.300 0.012 0.000 1.214 19 P CA 0.935 64.042 63.100 0.011 0.000 0.902 19 P CB 0.385 32.083 31.700 -0.003 0.000 0.733 20 M N -4.356 115.251 119.600 0.012 0.000 1.513 20 M HA 0.090 4.569 4.480 -0.002 0.000 0.292 20 M C -1.011 175.295 176.300 0.010 0.000 0.839 20 M CA 0.297 55.601 55.300 0.006 0.000 1.042 20 M CB 0.270 32.866 32.600 -0.007 0.000 2.101 20 M HN -0.028 nan 8.290 nan 0.000 0.830 21 c N 0.860 119.470 118.600 0.017 0.000 3.028 21 c HA 0.862 5.431 4.570 -0.002 0.000 0.338 21 c C -0.472 173.651 174.090 0.055 0.000 1.366 21 c CA -0.765 55.582 56.329 0.030 0.000 1.610 21 c CB 1.951 44.477 42.510 0.026 0.000 2.063 21 c HN 0.442 nan 8.230 nan 0.000 0.463 22 I N -0.036 120.578 120.570 0.073 0.000 2.841 22 I HA 0.371 4.540 4.170 -0.002 0.000 0.298 22 I C -1.571 174.632 176.117 0.145 0.000 1.304 22 I CA -0.479 60.882 61.300 0.102 0.000 1.019 22 I CB 1.900 39.939 38.000 0.066 0.000 1.282 22 I HN 0.723 nan 8.210 nan 0.000 0.432 23 Y N 4.137 124.465 120.300 0.046 0.000 2.562 23 Y HA 0.699 5.247 4.550 -0.002 0.000 0.343 23 Y C -0.425 175.506 175.900 0.051 0.000 1.025 23 Y CA -0.720 57.409 58.100 0.048 0.000 1.082 23 Y CB 1.972 40.469 38.460 0.062 0.000 1.264 23 Y HN 0.494 nan 8.280 nan 0.000 0.478 24 R N 2.973 122.901 120.500 -0.953 0.000 2.498 24 R HA 0.119 4.457 4.340 -0.002 0.000 0.196 24 R C -0.563 175.387 176.300 -0.583 0.000 1.269 24 R CA 0.161 55.935 56.100 -0.544 0.000 1.262 24 R CB 0.119 30.293 30.300 -0.210 0.000 1.415 24 R HN 0.875 nan 8.270 nan 0.000 0.784 25 S N 0.661 115.831 115.700 -0.882 0.000 2.731 25 S HA 0.218 4.687 4.470 -0.002 0.000 0.249 25 S C -0.869 173.676 174.600 -0.092 0.000 1.390 25 S CA -0.587 57.437 58.200 -0.293 0.000 0.964 25 S CB -0.174 63.090 63.200 0.107 0.000 0.965 25 S HN 0.217 nan 8.310 nan 0.000 0.579 39 K N 0.092 120.490 120.400 -0.003 0.000 2.352 39 K HA 0.917 5.235 4.320 -0.002 0.000 0.240 39 K C -0.695 175.709 176.600 -0.327 0.000 1.017 39 K CA -0.119 56.089 56.287 -0.132 0.000 0.851 39 K CB 1.403 33.863 32.500 -0.066 0.000 1.261 39 K HN 0.674 nan 8.250 nan 0.000 0.451 40 I N 2.622 122.945 120.570 -0.412 0.000 2.441 40 I HA 0.385 4.553 4.170 -0.002 0.000 0.295 40 I C -1.888 174.056 176.117 -0.288 0.000 0.994 40 I CA -2.074 58.856 61.300 -0.615 0.000 1.144 40 I CB 2.187 39.819 38.000 -0.612 0.000 1.314 40 I HN 0.639 nan 8.210 nan 0.000 0.445 41 P HA 0.224 nan 4.420 nan 0.000 0.276 41 P C -0.206 177.065 177.300 -0.049 0.000 1.230 41 P CA -0.137 62.939 63.100 -0.041 0.000 0.776 41 P CB 0.551 32.294 31.700 0.073 0.000 0.888 42 E N 2.253 122.437 120.200 -0.027 0.000 2.459 42 E HA 0.315 4.663 4.350 -0.002 0.000 0.264 42 E C 0.951 177.549 176.600 -0.003 0.000 1.055 42 E CA 0.171 56.558 56.400 -0.021 0.000 0.957 42 E CB -0.567 29.128 29.700 -0.008 0.000 0.952 42 E HN 0.819 nan 8.360 nan 0.000 0.448 43 A N 1.325 124.143 122.820 -0.004 0.000 2.362 43 A HA 0.014 4.333 4.320 -0.002 0.000 0.290 43 A C 0.503 178.098 177.584 0.019 0.000 1.441 43 A CA 1.236 53.279 52.037 0.010 0.000 0.743 43 A CB -1.905 17.106 19.000 0.019 0.000 1.125 43 A HN 1.436 nan 8.150 nan 0.000 0.378 44 T N 1.355 115.914 114.554 0.008 0.000 3.097 44 T HA 0.352 4.700 4.350 -0.002 0.000 0.332 44 T C -0.399 174.307 174.700 0.010 0.000 1.269 44 T CA -0.582 61.534 62.100 0.027 0.000 1.076 44 T CB 1.066 69.960 68.868 0.043 0.000 1.209 44 T HN 0.662 nan 8.240 nan 0.000 0.474 45 N N 1.766 120.489 118.700 0.038 0.000 2.497 45 N HA 0.125 4.863 4.740 -0.002 0.000 0.268 45 N C 1.241 176.759 175.510 0.013 0.000 1.171 45 N CA -0.145 52.921 53.050 0.027 0.000 0.948 45 N CB 0.991 39.516 38.487 0.063 0.000 1.069 45 N HN 0.610 nan 8.380 nan 0.000 0.460 46 R N 3.431 123.909 120.500 -0.035 0.000 2.096 46 R HA -0.044 4.294 4.340 -0.002 0.000 0.235 46 R C 1.630 177.933 176.300 0.004 0.000 1.127 46 R CA 1.229 57.306 56.100 -0.039 0.000 0.968 46 R CB 0.186 30.433 30.300 -0.089 0.000 0.861 46 R HN 0.621 nan 8.270 nan 0.000 0.440 47 R N -0.398 120.008 120.500 -0.156 0.000 2.066 47 R HA -0.056 4.282 4.340 -0.002 0.000 0.232 47 R C 2.290 178.399 176.300 -0.319 0.000 1.131 47 R CA 1.420 57.285 56.100 -0.391 0.000 0.955 47 R CB -0.441 29.262 30.300 -0.995 0.000 0.851 47 R HN 0.069 nan 8.270 nan 0.000 0.432 48 V N 0.341 120.137 119.914 -0.197 0.000 2.380 48 V HA -0.265 3.853 4.120 -0.002 0.000 0.251 48 V C 1.911 177.999 176.094 -0.010 0.000 1.063 48 V CA 1.811 64.061 62.300 -0.083 0.000 1.055 48 V CB -0.534 31.303 31.823 0.023 0.000 0.657 48 V HN 0.454 nan 8.190 nan 0.000 0.455 49 W N 1.361 122.586 121.300 -0.125 0.000 2.352 49 W HA -0.235 4.423 4.660 -0.002 0.000 0.322 49 W C 2.726 179.194 176.519 -0.085 0.000 1.208 49 W CA 2.986 60.283 57.345 -0.080 0.000 1.286 49 W CB -0.781 28.640 29.460 -0.065 0.000 1.167 49 W HN 0.323 nan 8.180 nan 0.000 0.469 50 E N 0.490 120.778 120.200 0.146 0.000 2.114 50 E HA -0.299 4.050 4.350 -0.002 0.000 0.199 50 E C 1.765 178.274 176.600 -0.151 0.000 1.008 50 E CA 2.075 58.460 56.400 -0.025 0.000 0.810 50 E CB -1.290 28.438 29.700 0.046 0.000 0.739 50 E HN 0.438 nan 8.360 nan 0.000 0.456 51 L N 0.616 121.725 121.223 -0.190 0.000 2.017 51 L HA -0.084 4.255 4.340 -0.002 0.000 0.208 51 L C 2.780 179.554 176.870 -0.160 0.000 1.073 51 L CA 2.596 57.282 54.840 -0.257 0.000 0.745 51 L CB -0.634 41.135 42.059 -0.483 0.000 0.894 51 L HN 0.429 nan 8.230 nan 0.000 0.432 52 S N -0.270 115.327 115.700 -0.171 0.000 2.351 52 S HA -0.287 4.181 4.470 -0.002 0.000 0.220 52 S C 2.366 176.883 174.600 -0.139 0.000 1.035 52 S CA 2.422 60.557 58.200 -0.108 0.000 1.031 52 S CB -0.564 62.554 63.200 -0.136 0.000 0.928 52 S HN 0.481 nan 8.310 nan 0.000 0.433 53 K N 0.932 121.126 120.400 -0.344 0.000 2.189 53 K HA -0.042 4.276 4.320 -0.002 0.000 0.207 53 K C 2.328 178.842 176.600 -0.144 0.000 1.046 53 K CA 2.163 58.224 56.287 -0.377 0.000 0.928 53 K CB -1.797 30.285 32.500 -0.697 0.000 0.720 53 K HN 0.809 nan 8.250 nan 0.000 0.458 54 A N 1.548 124.342 122.820 -0.044 0.000 1.832 54 A HA -0.203 4.115 4.320 -0.002 0.000 0.214 54 A C 2.258 179.965 177.584 0.206 0.000 1.200 54 A CA 1.697 53.805 52.037 0.118 0.000 0.610 54 A CB -0.602 18.546 19.000 0.246 0.000 0.842 54 A HN 0.701 nan 8.150 nan 0.000 0.444 55 N N 0.282 119.148 118.700 0.277 0.000 2.184 55 N HA -0.162 4.577 4.740 -0.002 0.000 0.190 55 N C 1.647 177.284 175.510 0.213 0.000 1.011 55 N CA 1.848 55.110 53.050 0.354 0.000 0.867 55 N CB -0.142 38.564 38.487 0.364 0.000 0.993 55 N HN 0.376 nan 8.380 nan 0.000 0.433 56 S N -0.166 115.594 115.700 0.100 0.000 2.428 56 S HA -0.052 4.417 4.470 -0.002 0.000 0.230 56 S C 2.361 176.985 174.600 0.041 0.000 1.014 56 S CA 1.365 59.591 58.200 0.043 0.000 0.957 56 S CB -0.193 62.995 63.200 -0.021 0.000 0.784 56 S HN 0.673 nan 8.310 nan 0.000 0.499 57 R N 0.827 121.366 120.500 0.066 0.000 2.075 57 R HA 0.124 4.463 4.340 -0.002 0.000 0.226 57 R C 1.848 178.213 176.300 0.109 0.000 1.114 57 R CA 1.469 57.605 56.100 0.060 0.000 0.972 57 R CB -1.674 28.661 30.300 0.057 0.000 0.869 57 R HN 0.507 nan 8.270 nan 0.000 0.437 58 F N 1.766 121.705 119.950 -0.019 0.000 2.102 58 F HA 0.091 4.616 4.527 -0.003 0.000 0.298 58 F C 2.515 178.301 175.800 -0.023 0.000 1.105 58 F CA 0.870 58.822 58.000 -0.079 0.000 1.239 58 F CB -0.863 38.050 39.000 -0.145 0.000 0.991 58 F HN 0.364 nan 8.300 nan 0.000 0.474 59 A N 0.489 123.168 122.820 -0.236 0.000 1.859 59 A HA -0.325 3.993 4.320 -0.002 0.000 0.218 59 A C 2.259 179.777 177.584 -0.110 0.000 1.242 59 A CA 3.371 55.244 52.037 -0.272 0.000 0.661 59 A CB -1.684 17.290 19.000 -0.044 0.000 0.842 59 A HN 0.493 nan 8.150 nan 0.000 0.455 60 T N -0.110 114.446 114.554 0.004 0.000 2.481 60 T HA -0.270 4.079 4.350 -0.002 0.000 0.252 60 T C 1.974 176.691 174.700 0.028 0.000 1.242 60 T CA 2.832 64.971 62.100 0.063 0.000 1.170 60 T CB -1.222 67.663 68.868 0.029 0.000 0.860 60 T HN 0.664 nan 8.240 nan 0.000 0.422 61 T N 1.588 116.114 114.554 -0.048 0.000 2.624 61 T HA -0.178 4.171 4.350 -0.002 0.000 0.268 61 T C 1.560 176.152 174.700 -0.180 0.000 1.041 61 T CA 1.829 63.850 62.100 -0.132 0.000 1.159 61 T CB -0.735 68.100 68.868 -0.054 0.000 0.863 61 T HN 0.406 nan 8.240 nan 0.000 0.434 62 F N 0.548 120.304 119.950 -0.324 0.000 2.216 62 F HA -0.101 4.425 4.527 -0.002 0.000 0.300 62 F C 2.144 177.838 175.800 -0.177 0.000 1.085 62 F CA 0.879 58.691 58.000 -0.315 0.000 1.326 62 F CB -0.444 38.106 39.000 -0.750 0.000 1.027 62 F HN 0.231 nan 8.300 nan 0.000 0.497 63 Y N 0.977 121.230 120.300 -0.079 0.000 2.114 63 Y HA -0.281 4.268 4.550 -0.003 0.000 0.284 63 Y C 2.598 178.384 175.900 -0.190 0.000 1.143 63 Y CA 2.148 60.195 58.100 -0.089 0.000 1.135 63 Y CB -0.729 37.718 38.460 -0.021 0.000 0.980 63 Y HN 0.130 nan 8.280 nan 0.000 0.499 64 Q N -0.568 119.117 119.800 -0.191 0.000 2.028 64 Q HA -0.333 4.006 4.340 -0.002 0.000 0.213 64 Q C 2.105 177.874 176.000 -0.386 0.000 1.017 64 Q CA 2.199 57.817 55.803 -0.307 0.000 0.875 64 Q CB -0.504 28.028 28.738 -0.344 0.000 0.962 64 Q HN 0.633 nan 8.270 nan 0.000 0.413 65 H N -0.307 118.593 119.070 -0.283 0.000 2.387 65 H HA -0.115 4.439 4.556 -0.002 0.000 0.299 65 H C 2.080 177.169 175.328 -0.398 0.000 1.090 65 H CA 1.142 57.010 56.048 -0.300 0.000 1.332 65 H CB -0.340 29.250 29.762 -0.286 0.000 1.386 65 H HN 0.173 nan 8.280 nan 0.000 0.516 66 L N 0.934 121.883 121.223 -0.456 0.000 2.017 66 L HA -0.079 4.260 4.340 -0.002 0.000 0.208 66 L C 2.503 179.096 176.870 -0.461 0.000 1.073 66 L CA 1.897 56.426 54.840 -0.517 0.000 0.745 66 L CB -0.878 40.820 42.059 -0.601 0.000 0.894 66 L HN 0.187 nan 8.230 nan 0.000 0.432 67 A N -1.362 121.102 122.820 -0.594 0.000 2.067 67 A HA -0.240 4.079 4.320 -0.002 0.000 0.219 67 A C 2.009 179.421 177.584 -0.287 0.000 1.158 67 A CA 1.624 53.361 52.037 -0.500 0.000 0.661 67 A CB -0.847 17.748 19.000 -0.674 0.000 0.801 67 A HN 0.576 nan 8.150 nan 0.000 0.452 68 D N -0.985 119.271 120.400 -0.240 0.000 2.264 68 D HA -0.090 4.548 4.640 -0.002 0.000 0.208 68 D C 2.060 178.284 176.300 -0.128 0.000 0.966 68 D CA 1.345 55.261 54.000 -0.140 0.000 0.864 68 D CB 0.093 40.844 40.800 -0.082 0.000 0.933 68 D HN 0.403 nan 8.370 nan 0.000 0.499 69 S N -0.619 114.983 115.700 -0.165 0.000 2.310 69 S HA 0.110 4.579 4.470 -0.002 0.000 0.205 69 S C 1.161 175.676 174.600 -0.141 0.000 1.020 69 S CA 0.812 58.926 58.200 -0.143 0.000 0.939 69 S CB -0.690 62.411 63.200 -0.164 0.000 0.919 69 S HN 0.237 nan 8.310 nan 0.000 0.501 70 K N 2.146 122.434 120.400 -0.185 0.000 2.524 70 K HA 0.138 4.456 4.320 -0.002 0.000 0.279 70 K C -0.131 176.392 176.600 -0.129 0.000 0.993 70 K CA 0.455 56.643 56.287 -0.166 0.000 1.030 70 K CB -1.092 31.279 32.500 -0.216 0.000 0.891 70 K HN 0.725 nan 8.250 nan 0.000 0.488 71 N N 1.790 120.432 118.700 -0.096 0.000 2.458 71 N HA -0.044 4.694 4.740 -0.002 0.000 0.258 71 N C 0.623 176.092 175.510 -0.068 0.000 1.219 71 N CA 0.108 53.115 53.050 -0.072 0.000 0.902 71 N CB 0.875 39.330 38.487 -0.055 0.000 1.076 71 N HN 0.606 nan 8.380 nan 0.000 0.455 72 D N 1.876 122.245 120.400 -0.053 0.000 2.218 72 D HA -0.240 4.398 4.640 -0.002 0.000 0.194 72 D C 0.552 176.833 176.300 -0.032 0.000 1.007 72 D CA 1.309 55.286 54.000 -0.038 0.000 0.879 72 D CB 0.057 40.846 40.800 -0.019 0.000 0.918 72 D HN 0.612 nan 8.370 nan 0.000 0.449 73 N N 0.897 119.577 118.700 -0.032 0.000 2.422 73 N HA -0.055 4.683 4.740 -0.002 0.000 0.181 73 N C -0.352 175.122 175.510 -0.060 0.000 1.080 73 N CA 0.328 53.359 53.050 -0.031 0.000 0.893 73 N CB 0.243 38.719 38.487 -0.018 0.000 0.973 73 N HN 0.191 nan 8.380 nan 0.000 0.456 74 D N 2.081 122.438 120.400 -0.071 0.000 2.338 74 D HA 0.027 4.666 4.640 -0.002 0.000 0.255 74 D C 0.090 176.330 176.300 -0.101 0.000 1.237 74 D CA -0.109 53.838 54.000 -0.088 0.000 0.883 74 D CB 0.264 41.008 40.800 -0.093 0.000 1.087 74 D HN 0.291 nan 8.370 nan 0.000 0.485 75 N N 1.811 120.438 118.700 -0.123 0.000 2.525 75 N HA 0.260 4.999 4.740 -0.002 0.000 0.271 75 N C -0.397 175.066 175.510 -0.079 0.000 1.194 75 N CA -0.182 52.784 53.050 -0.141 0.000 0.964 75 N CB 1.006 39.343 38.487 -0.250 0.000 1.126 75 N HN 0.286 nan 8.380 nan 0.000 0.452 76 I N -0.249 120.310 120.570 -0.018 0.000 2.693 76 I HA 0.566 4.735 4.170 -0.002 0.000 0.303 76 I C -1.099 175.159 176.117 0.235 0.000 1.025 76 I CA -1.034 60.310 61.300 0.073 0.000 1.086 76 I CB 1.363 39.425 38.000 0.103 0.000 1.268 76 I HN 0.484 nan 8.210 nan 0.000 0.440 77 F N 6.468 126.475 119.950 0.095 0.000 2.749 77 F HA 0.628 5.153 4.527 -0.002 0.000 0.339 77 F C -1.781 174.196 175.800 0.295 0.000 1.211 77 F CA -0.690 57.398 58.000 0.147 0.000 1.099 77 F CB 1.193 40.248 39.000 0.091 0.000 1.359 77 F HN 0.301 nan 8.300 nan 0.000 0.549 78 L N 2.405 123.441 121.223 -0.311 0.000 2.469 78 L HA 0.776 5.114 4.340 -0.002 0.000 0.256 78 L C -1.319 175.526 176.870 -0.041 0.000 1.006 78 L CA -0.949 53.904 54.840 0.021 0.000 0.832 78 L CB 1.999 44.281 42.059 0.371 0.000 1.421 78 L HN 0.465 nan 8.230 nan 0.000 0.410 79 S N 1.912 117.751 115.700 0.232 0.000 2.457 79 S HA 0.449 4.918 4.470 -0.002 0.000 0.216 79 S C -1.418 173.112 174.600 -0.117 0.000 1.392 79 S CA -1.510 56.736 58.200 0.077 0.000 1.102 79 S CB 0.375 63.692 63.200 0.195 0.000 1.114 79 S HN 0.671 nan 8.310 nan 0.000 0.484 80 P HA -0.205 nan 4.420 nan 0.000 0.216 80 P C 1.653 178.948 177.300 -0.007 0.000 1.154 80 P CA 0.919 63.896 63.100 -0.204 0.000 0.865 80 P CB 0.089 31.662 31.700 -0.212 0.000 0.789 81 L N -0.216 121.019 121.223 0.020 0.000 2.012 81 L HA -0.164 4.174 4.340 -0.002 0.000 0.210 81 L C 2.766 179.691 176.870 0.092 0.000 1.073 81 L CA 2.170 57.076 54.840 0.110 0.000 0.748 81 L CB -1.058 41.036 42.059 0.059 0.000 0.891 81 L HN -0.026 nan 8.230 nan 0.000 0.431 82 S N -0.350 115.383 115.700 0.056 0.000 2.402 82 S HA -0.216 4.252 4.470 -0.002 0.000 0.233 82 S C 1.812 176.496 174.600 0.140 0.000 1.030 82 S CA 1.738 60.019 58.200 0.135 0.000 1.003 82 S CB -0.460 62.904 63.200 0.274 0.000 0.813 82 S HN 0.467 nan 8.310 nan 0.000 0.477 83 I N 0.360 120.964 120.570 0.056 0.000 2.141 83 I HA -0.135 4.034 4.170 -0.002 0.000 0.236 83 I C 2.588 178.885 176.117 0.301 0.000 1.071 83 I CA 1.074 62.466 61.300 0.152 0.000 1.345 83 I CB -0.875 37.110 38.000 -0.025 0.000 1.066 83 I HN 0.241 nan 8.210 nan 0.000 0.406 84 S N 0.863 116.753 115.700 0.315 0.000 2.401 84 S HA -0.328 4.141 4.470 -0.002 0.000 0.236 84 S C 2.131 176.583 174.600 -0.247 0.000 1.058 84 S CA 2.803 61.162 58.200 0.265 0.000 1.151 84 S CB -1.026 62.395 63.200 0.368 0.000 1.049 84 S HN 0.712 nan 8.310 nan 0.000 0.432 85 T N 1.235 115.453 114.554 -0.559 0.000 2.653 85 T HA -0.206 4.142 4.350 -0.002 0.000 0.268 85 T C 1.842 176.427 174.700 -0.192 0.000 1.035 85 T CA 1.766 63.415 62.100 -0.751 0.000 1.154 85 T CB -0.864 67.866 68.868 -0.229 0.000 0.862 85 T HN 0.448 nan 8.240 nan 0.000 0.441 86 A N 1.066 123.918 122.820 0.054 0.000 1.877 86 A HA 0.137 4.455 4.320 -0.002 0.000 0.216 86 A C 2.030 179.469 177.584 -0.242 0.000 1.186 86 A CA 1.406 53.449 52.037 0.010 0.000 0.620 86 A CB -1.160 17.925 19.000 0.140 0.000 0.822 86 A HN 0.519 nan 8.150 nan 0.000 0.443 87 F N 0.033 119.839 119.950 -0.240 0.000 2.699 87 F HA 0.094 4.619 4.527 -0.002 0.000 0.298 87 F C 2.455 178.020 175.800 -0.391 0.000 1.154 87 F CA 0.463 58.216 58.000 -0.412 0.000 1.457 87 F CB -0.171 38.334 39.000 -0.825 0.000 1.106 87 F HN 0.262 nan 8.300 nan 0.000 0.585 88 A N -0.906 121.803 122.820 -0.186 0.000 2.067 88 A HA -0.073 4.245 4.320 -0.002 0.000 0.217 88 A C 2.149 179.658 177.584 -0.125 0.000 1.156 88 A CA 0.894 52.863 52.037 -0.113 0.000 0.683 88 A CB -0.337 18.542 19.000 -0.201 0.000 0.808 88 A HN 0.141 nan 8.150 nan 0.000 0.455 89 M N 0.189 119.643 119.600 -0.243 0.000 2.349 89 M HA -0.052 4.426 4.480 -0.002 0.000 0.266 89 M C 2.222 178.417 176.300 -0.175 0.000 1.076 89 M CA 1.923 57.051 55.300 -0.286 0.000 1.126 89 M CB -1.372 30.864 32.600 -0.607 0.000 1.392 89 M HN 0.660 nan 8.290 nan 0.000 0.440 90 T N -2.395 111.993 114.554 -0.277 0.000 2.978 90 T HA -0.049 4.300 4.350 -0.002 0.000 0.262 90 T C 1.864 176.446 174.700 -0.197 0.000 1.063 90 T CA 0.659 62.589 62.100 -0.283 0.000 1.140 90 T CB -0.162 68.472 68.868 -0.388 0.000 0.886 90 T HN 0.137 nan 8.240 nan 0.000 0.470 91 K N 1.072 121.382 120.400 -0.149 0.000 2.152 91 K HA -0.067 4.252 4.320 -0.002 0.000 0.206 91 K C 2.114 178.667 176.600 -0.077 0.000 1.048 91 K CA 0.874 57.111 56.287 -0.082 0.000 0.933 91 K CB -0.735 31.759 32.500 -0.010 0.000 0.721 91 K HN 0.379 nan 8.250 nan 0.000 0.447 92 L N 0.346 121.508 121.223 -0.102 0.000 2.187 92 L HA -0.037 4.302 4.340 -0.002 0.000 0.213 92 L C 0.725 177.553 176.870 -0.071 0.000 1.100 92 L CA 1.749 56.515 54.840 -0.122 0.000 0.765 92 L CB -0.609 41.390 42.059 -0.101 0.000 0.904 92 L HN 0.231 nan 8.230 nan 0.000 0.437 93 G N -1.102 107.617 108.800 -0.136 0.000 2.760 93 G HA2 0.685 4.643 3.960 -0.002 0.000 0.285 93 G HA3 0.685 4.643 3.960 -0.002 0.000 0.285 93 G C -1.478 173.318 174.900 -0.174 0.000 1.496 93 G CA 0.203 45.190 45.100 -0.189 0.000 1.026 93 G HN 0.476 nan 8.290 nan 0.000 0.536 94 A N 1.109 123.862 122.820 -0.110 0.000 2.590 94 A HA 0.621 4.940 4.320 -0.002 0.000 0.309 94 A C -0.741 176.817 177.584 -0.045 0.000 1.039 94 A CA -0.200 51.781 52.037 -0.092 0.000 0.824 94 A CB 0.606 19.550 19.000 -0.094 0.000 1.247 94 A HN 1.148 nan 8.150 nan 0.000 0.394 95 c N 0.740 119.322 118.600 -0.031 0.000 3.178 95 c HA 0.430 4.999 4.570 -0.002 0.000 0.099 95 c C 2.051 176.157 174.090 0.026 0.000 2.497 95 c CA 0.267 56.596 56.329 -0.000 0.000 1.927 95 c CB -0.083 42.422 42.510 -0.008 0.000 3.085 95 c HN 0.981 nan 8.230 nan 0.000 0.376 96 N N 1.458 120.174 118.700 0.027 0.000 2.004 96 N HA -0.131 4.608 4.740 -0.002 0.000 0.196 96 N C 0.965 176.511 175.510 0.059 0.000 1.064 96 N CA 1.772 54.852 53.050 0.050 0.000 0.855 96 N CB -0.681 37.825 38.487 0.032 0.000 1.056 96 N HN 0.606 nan 8.380 nan 0.000 0.423 97 D N 0.300 120.719 120.400 0.032 0.000 2.144 97 D HA -0.000 4.638 4.640 -0.002 0.000 0.207 97 D C 1.769 178.071 176.300 0.003 0.000 0.970 97 D CA 0.903 54.919 54.000 0.027 0.000 0.853 97 D CB -0.300 40.510 40.800 0.017 0.000 1.007 97 D HN 0.167 nan 8.370 nan 0.000 0.469 98 T N 1.839 116.385 114.554 -0.015 0.000 2.685 98 T HA -0.218 4.131 4.350 -0.002 0.000 0.268 98 T C 2.055 176.724 174.700 -0.052 0.000 1.034 98 T CA 1.047 63.121 62.100 -0.043 0.000 1.149 98 T CB -0.408 68.424 68.868 -0.059 0.000 0.860 98 T HN 0.109 nan 8.240 nan 0.000 0.449 99 L N 1.289 122.492 121.223 -0.032 0.000 2.005 99 L HA -0.080 4.258 4.340 -0.002 0.000 0.207 99 L C 3.042 179.848 176.870 -0.106 0.000 1.072 99 L CA 2.303 57.120 54.840 -0.038 0.000 0.744 99 L CB -0.991 41.084 42.059 0.026 0.000 0.895 99 L HN 0.335 nan 8.230 nan 0.000 0.433 100 Q N -0.462 119.305 119.800 -0.056 0.000 2.522 100 Q HA -0.256 4.083 4.340 -0.002 0.000 0.216 100 Q C 1.883 177.778 176.000 -0.175 0.000 0.986 100 Q CA 2.164 57.882 55.803 -0.142 0.000 0.901 100 Q CB -0.857 27.940 28.738 0.098 0.000 0.954 100 Q HN 0.822 nan 8.270 nan 0.000 0.502 101 Q N -0.905 118.829 119.800 -0.110 0.000 2.252 101 Q HA 0.198 4.537 4.340 -0.002 0.000 0.195 101 Q C 2.359 178.310 176.000 -0.083 0.000 0.974 101 Q CA 0.469 56.230 55.803 -0.070 0.000 0.846 101 Q CB 0.110 28.833 28.738 -0.025 0.000 0.943 101 Q HN 0.592 nan 8.270 nan 0.000 0.516 102 L N 0.755 121.926 121.223 -0.087 0.000 2.034 102 L HA -0.277 4.061 4.340 -0.002 0.000 0.217 102 L C 2.489 179.267 176.870 -0.153 0.000 1.077 102 L CA 1.111 55.880 54.840 -0.118 0.000 0.769 102 L CB -0.485 41.487 42.059 -0.144 0.000 0.890 102 L HN 0.387 nan 8.230 nan 0.000 0.435 103 M N -0.756 118.745 119.600 -0.165 0.000 2.296 103 M HA -0.136 4.343 4.480 -0.002 0.000 0.265 103 M C 2.501 178.684 176.300 -0.196 0.000 1.064 103 M CA 2.090 57.287 55.300 -0.172 0.000 1.109 103 M CB -1.496 30.831 32.600 -0.455 0.000 1.396 103 M HN 0.416 nan 8.290 nan 0.000 0.430 104 E N 0.166 120.251 120.200 -0.193 0.000 2.086 104 E HA 0.027 4.375 4.350 -0.002 0.000 0.190 104 E C 2.279 178.832 176.600 -0.078 0.000 0.975 104 E CA 1.287 57.624 56.400 -0.106 0.000 0.813 104 E CB -0.826 28.831 29.700 -0.072 0.000 0.768 104 E HN 0.308 nan 8.360 nan 0.000 0.457 105 V N -0.347 119.524 119.914 -0.071 0.000 2.323 105 V HA -0.045 4.074 4.120 -0.002 0.000 0.244 105 V C 1.902 177.836 176.094 -0.267 0.000 1.041 105 V CA 1.220 63.472 62.300 -0.080 0.000 1.025 105 V CB -0.521 31.300 31.823 -0.003 0.000 0.656 105 V HN 0.579 nan 8.190 nan 0.000 0.451 106 F N 1.150 120.675 119.950 -0.707 0.000 2.725 106 F HA 0.309 4.834 4.527 -0.003 0.000 0.303 106 F C 1.550 176.795 175.800 -0.925 0.000 1.167 106 F CA 0.331 57.612 58.000 -1.198 0.000 1.403 106 F CB -1.397 36.445 39.000 -1.929 0.000 1.077 106 F HN 0.276 nan 8.300 nan 0.000 0.537 107 K N -0.778 119.445 120.400 -0.295 0.000 3.048 107 K HA -0.274 4.045 4.320 -0.002 0.000 0.274 107 K C 0.747 177.412 176.600 0.107 0.000 1.098 107 K CA 1.747 58.000 56.287 -0.057 0.000 0.807 107 K CB -3.351 29.172 32.500 0.038 0.000 1.217 107 K HN 0.356 nan 8.250 nan 0.000 0.477 108 F N 1.474 121.477 119.950 0.088 0.000 2.710 108 F HA 0.086 4.612 4.527 -0.003 0.000 0.298 108 F C 2.076 177.921 175.800 0.075 0.000 1.137 108 F CA 0.346 58.398 58.000 0.086 0.000 1.444 108 F CB -0.003 39.052 39.000 0.091 0.000 1.111 108 F HN 0.619 nan 8.300 nan 0.000 0.580 109 D N -0.738 119.779 120.400 0.195 0.000 2.407 109 D HA -0.111 4.528 4.640 -0.002 0.000 0.234 109 D C 0.768 177.187 176.300 0.199 0.000 1.029 109 D CA 1.002 55.111 54.000 0.182 0.000 0.937 109 D CB -0.572 40.283 40.800 0.091 0.000 0.882 109 D HN 0.245 nan 8.370 nan 0.000 0.531 110 T N 0.115 114.774 114.554 0.175 0.000 2.986 110 T HA 0.171 4.520 4.350 -0.002 0.000 0.264 110 T C 1.190 175.962 174.700 0.120 0.000 0.964 110 T CA -0.456 61.724 62.100 0.134 0.000 0.895 110 T CB 0.548 69.478 68.868 0.103 0.000 1.163 110 T HN 0.329 nan 8.240 nan 0.000 0.517 111 I N 1.167 121.819 120.570 0.136 0.000 3.378 111 I HA 0.456 4.624 4.170 -0.002 0.000 0.284 111 I C 0.619 176.781 176.117 0.075 0.000 1.157 111 I CA -1.026 60.329 61.300 0.091 0.000 1.193 111 I CB 0.235 38.277 38.000 0.070 0.000 1.461 111 I HN 0.014 nan 8.210 nan 0.000 0.674 112 S N 0.885 116.606 115.700 0.034 0.000 2.584 112 S HA 0.234 4.703 4.470 -0.002 0.000 0.270 112 S C 1.046 175.674 174.600 0.047 0.000 1.346 112 S CA 0.004 58.218 58.200 0.024 0.000 1.018 112 S CB 1.020 64.205 63.200 -0.024 0.000 0.899 112 S HN 0.861 nan 8.310 nan 0.000 0.542 113 E N 1.661 121.889 120.200 0.048 0.000 2.006 113 E HA -0.149 4.199 4.350 -0.002 0.000 0.192 113 E C 1.886 178.534 176.600 0.079 0.000 0.993 113 E CA 1.708 58.146 56.400 0.063 0.000 0.808 113 E CB -0.963 28.764 29.700 0.045 0.000 0.764 113 E HN 0.798 nan 8.360 nan 0.000 0.449 114 K N -0.175 120.268 120.400 0.072 0.000 2.103 114 K HA -0.160 4.158 4.320 -0.002 0.000 0.207 114 K C 2.445 179.174 176.600 0.215 0.000 1.048 114 K CA 1.868 58.224 56.287 0.115 0.000 0.930 114 K CB -0.470 32.092 32.500 0.104 0.000 0.716 114 K HN 0.429 nan 8.250 nan 0.000 0.444 115 T N 0.028 114.656 114.554 0.123 0.000 2.708 115 T HA -0.160 4.189 4.350 -0.002 0.000 0.266 115 T C 1.896 176.710 174.700 0.190 0.000 1.037 115 T CA 1.522 63.688 62.100 0.110 0.000 1.146 115 T CB -0.365 68.390 68.868 -0.188 0.000 0.865 115 T HN 0.347 nan 8.240 nan 0.000 0.435 116 S N 1.584 117.357 115.700 0.120 0.000 2.378 116 S HA -0.223 4.246 4.470 -0.002 0.000 0.221 116 S C 1.757 176.455 174.600 0.163 0.000 1.037 116 S CA 1.935 60.212 58.200 0.128 0.000 1.069 116 S CB -0.841 62.451 63.200 0.154 0.000 1.006 116 S HN 0.399 nan 8.310 nan 0.000 0.423 117 D N 0.951 121.447 120.400 0.159 0.000 2.254 117 D HA -0.097 4.542 4.640 -0.002 0.000 0.201 117 D C 1.535 177.962 176.300 0.211 0.000 0.998 117 D CA 1.079 55.178 54.000 0.164 0.000 0.885 117 D CB -0.214 40.655 40.800 0.114 0.000 0.915 117 D HN 0.505 nan 8.370 nan 0.000 0.460 118 Q N -0.638 119.238 119.800 0.127 0.000 2.159 118 Q HA 0.245 4.584 4.340 -0.002 0.000 0.217 118 Q C 1.871 177.745 176.000 -0.210 0.000 0.818 118 Q CA -0.371 55.314 55.803 -0.196 0.000 1.008 118 Q CB 0.602 29.142 28.738 -0.330 0.000 1.148 118 Q HN 0.338 nan 8.270 nan 0.000 0.491 119 I N 2.430 123.085 120.570 0.142 0.000 2.130 119 I HA -0.454 3.715 4.170 -0.002 0.000 0.241 119 I C 2.540 178.775 176.117 0.196 0.000 1.023 119 I CA 2.155 63.543 61.300 0.146 0.000 1.293 119 I CB 0.021 38.045 38.000 0.041 0.000 1.001 119 I HN 0.380 nan 8.210 nan 0.000 0.407 120 H N 0.167 119.353 119.070 0.194 0.000 2.265 120 H HA -0.322 4.232 4.556 -0.002 0.000 0.293 120 H C 2.214 177.633 175.328 0.151 0.000 1.089 120 H CA 2.230 58.404 56.048 0.211 0.000 1.244 120 H CB -1.984 27.827 29.762 0.082 0.000 1.355 120 H HN 0.497 nan 8.280 nan 0.000 0.485 121 F N 2.169 121.736 119.950 -0.639 0.000 2.024 121 F HA -0.295 4.230 4.527 -0.002 0.000 0.296 121 F C 2.346 177.930 175.800 -0.359 0.000 1.137 121 F CA 1.925 59.595 58.000 -0.549 0.000 1.200 121 F CB -0.978 37.485 39.000 -0.895 0.000 0.954 121 F HN 0.008 nan 8.300 nan 0.000 0.497 122 F N -0.493 119.338 119.950 -0.197 0.000 2.192 122 F HA -0.219 4.306 4.527 -0.002 0.000 0.301 122 F C 2.226 177.833 175.800 -0.321 0.000 1.079 122 F CA 1.344 59.166 58.000 -0.296 0.000 1.303 122 F CB -1.502 37.385 39.000 -0.190 0.000 1.024 122 F HN -0.006 nan 8.300 nan 0.000 0.494 123 F N -0.034 119.900 119.950 -0.026 0.000 2.234 123 F HA -0.124 4.402 4.527 -0.002 0.000 0.299 123 F C 2.429 178.165 175.800 -0.108 0.000 1.087 123 F CA 0.949 58.934 58.000 -0.024 0.000 1.340 123 F CB -1.094 37.917 39.000 0.020 0.000 1.031 123 F HN -0.052 nan 8.300 nan 0.000 0.500 124 A N -0.547 122.243 122.820 -0.050 0.000 1.898 124 A HA -0.172 4.146 4.320 -0.002 0.000 0.216 124 A C 2.310 179.740 177.584 -0.255 0.000 1.181 124 A CA 1.393 53.316 52.037 -0.190 0.000 0.620 124 A CB -0.512 18.313 19.000 -0.292 0.000 0.819 124 A HN 0.211 nan 8.150 nan 0.000 0.442 125 K N -0.703 119.465 120.400 -0.386 0.000 2.155 125 K HA 0.008 4.327 4.320 -0.002 0.000 0.203 125 K C 1.942 178.489 176.600 -0.088 0.000 1.052 125 K CA 0.985 57.110 56.287 -0.271 0.000 0.948 125 K CB -0.230 32.089 32.500 -0.300 0.000 0.728 125 K HN 0.558 nan 8.250 nan 0.000 0.448 126 L N 0.914 122.109 121.223 -0.047 0.000 2.023 126 L HA -0.188 4.150 4.340 -0.002 0.000 0.205 126 L C 1.693 178.600 176.870 0.062 0.000 1.073 126 L CA 1.556 56.408 54.840 0.019 0.000 0.745 126 L CB -0.313 41.758 42.059 0.020 0.000 0.900 126 L HN 0.232 nan 8.230 nan 0.000 0.435 127 N N -0.981 117.762 118.700 0.071 0.000 2.120 127 N HA -0.240 4.499 4.740 -0.002 0.000 0.188 127 N C 1.922 177.467 175.510 0.060 0.000 1.024 127 N CA 1.392 54.507 53.050 0.108 0.000 0.852 127 N CB -0.322 38.127 38.487 -0.063 0.000 1.003 127 N HN 0.433 nan 8.380 nan 0.000 0.424 128 c N 1.120 119.685 118.600 -0.058 0.000 2.375 128 c HA -0.191 4.377 4.570 -0.002 0.000 0.274 128 c C 2.817 176.930 174.090 0.037 0.000 1.190 128 c CA 1.051 57.350 56.329 -0.049 0.000 1.775 128 c CB -1.132 41.328 42.510 -0.083 0.000 2.067 128 c HN 0.450 nan 8.230 nan 0.000 0.463 129 R N 0.166 120.695 120.500 0.049 0.000 2.066 129 R HA -0.067 4.271 4.340 -0.002 0.000 0.232 129 R C 2.151 178.512 176.300 0.102 0.000 1.131 129 R CA 1.540 57.681 56.100 0.068 0.000 0.955 129 R CB -0.312 30.023 30.300 0.059 0.000 0.851 129 R HN 0.509 nan 8.270 nan 0.000 0.432 130 L N -0.440 120.865 121.223 0.137 0.000 2.005 130 L HA -0.152 4.187 4.340 -0.002 0.000 0.207 130 L C 2.222 179.179 176.870 0.146 0.000 1.072 130 L CA 1.274 56.188 54.840 0.123 0.000 0.744 130 L CB -0.840 41.281 42.059 0.104 0.000 0.895 130 L HN 0.201 nan 8.230 nan 0.000 0.433 131 Y N 0.166 120.466 120.300 -0.001 0.000 2.569 131 Y HA -0.172 4.376 4.550 -0.003 0.000 0.293 131 Y C 2.700 178.614 175.900 0.023 0.000 1.144 131 Y CA 0.892 59.001 58.100 0.014 0.000 1.321 131 Y CB -0.667 37.796 38.460 0.005 0.000 0.982 131 Y HN 0.150 nan 8.280 nan 0.000 0.558 132 R N 0.474 121.075 120.500 0.168 0.000 2.055 132 R HA -0.053 4.286 4.340 -0.002 0.000 0.221 132 R C 2.054 178.404 176.300 0.084 0.000 1.154 132 R CA 0.966 57.130 56.100 0.106 0.000 0.975 132 R CB -0.008 30.341 30.300 0.081 0.000 0.869 132 R HN 0.111 nan 8.270 nan 0.000 0.437 133 K N 0.135 120.582 120.400 0.079 0.000 2.103 133 K HA -0.089 4.230 4.320 -0.002 0.000 0.207 133 K C 1.904 178.549 176.600 0.074 0.000 1.048 133 K CA 1.484 57.815 56.287 0.074 0.000 0.930 133 K CB -0.088 32.456 32.500 0.074 0.000 0.716 133 K HN 0.237 nan 8.250 nan 0.000 0.444 134 A N 0.753 123.607 122.820 0.057 0.000 2.119 134 A HA -0.076 4.243 4.320 -0.002 0.000 0.217 134 A C 1.551 179.177 177.584 0.070 0.000 1.153 134 A CA 1.319 53.392 52.037 0.060 0.000 0.692 134 A CB -0.171 18.812 19.000 -0.027 0.000 0.799 134 A HN 0.221 nan 8.150 nan 0.000 0.458 135 N N -1.362 117.372 118.700 0.058 0.000 2.294 135 N HA 0.101 4.840 4.740 -0.002 0.000 0.186 135 N C 1.697 177.226 175.510 0.031 0.000 1.107 135 N CA 0.941 54.017 53.050 0.043 0.000 0.884 135 N CB 0.003 38.528 38.487 0.063 0.000 1.030 135 N HN 0.398 nan 8.380 nan 0.000 0.482 136 K N 0.355 120.780 120.400 0.042 0.000 2.209 136 K HA -0.047 4.271 4.320 -0.002 0.000 0.204 136 K C 1.978 178.593 176.600 0.025 0.000 1.048 136 K CA 1.828 58.137 56.287 0.037 0.000 0.940 136 K CB -0.822 31.707 32.500 0.048 0.000 0.729 136 K HN 0.419 nan 8.250 nan 0.000 0.451 137 S N -0.697 115.015 115.700 0.020 0.000 3.036 137 S HA 0.133 4.602 4.470 -0.002 0.000 0.194 137 S C 1.512 176.073 174.600 -0.065 0.000 0.797 137 S CA 0.451 58.650 58.200 -0.001 0.000 0.822 137 S CB -0.464 62.755 63.200 0.032 0.000 0.810 137 S HN 0.648 nan 8.310 nan 0.000 0.629 138 S N 1.520 117.148 115.700 -0.121 0.000 2.655 138 S HA 0.682 5.151 4.470 -0.002 0.000 0.265 138 S C -0.078 174.397 174.600 -0.207 0.000 1.240 138 S CA -0.310 57.728 58.200 -0.270 0.000 0.986 138 S CB 0.227 63.091 63.200 -0.560 0.000 0.985 138 S HN 0.889 nan 8.310 nan 0.000 0.562 139 K N 0.336 120.547 120.400 -0.314 0.000 2.263 139 K HA 0.601 4.920 4.320 -0.002 0.000 0.282 139 K C -0.884 175.640 176.600 -0.127 0.000 1.089 139 K CA -0.632 55.551 56.287 -0.173 0.000 0.907 139 K CB -0.256 32.168 32.500 -0.127 0.000 1.148 139 K HN 0.588 nan 8.250 nan 0.000 0.470 140 L N 2.146 123.386 121.223 0.027 0.000 2.334 140 L HA 0.854 5.192 4.340 -0.002 0.000 0.276 140 L C -0.563 176.380 176.870 0.121 0.000 1.014 140 L CA -1.051 53.861 54.840 0.121 0.000 0.815 140 L CB 2.149 44.239 42.059 0.052 0.000 1.268 140 L HN 0.585 nan 8.230 nan 0.000 0.428 141 V N 3.947 123.964 119.914 0.173 0.000 2.915 141 V HA 0.755 4.874 4.120 -0.002 0.000 0.282 141 V C -1.476 174.745 176.094 0.212 0.000 1.445 141 V CA 0.522 62.931 62.300 0.182 0.000 0.953 141 V CB 2.112 34.018 31.823 0.139 0.000 1.140 141 V HN 1.208 nan 8.190 nan 0.000 0.440 142 S N 4.788 120.616 115.700 0.213 0.000 2.579 142 S HA 0.985 5.453 4.470 -0.002 0.000 0.272 142 S C -0.632 174.030 174.600 0.104 0.000 1.141 142 S CA -0.285 58.034 58.200 0.200 0.000 0.843 142 S CB 2.070 65.447 63.200 0.296 0.000 1.122 142 S HN 2.325 nan 8.310 nan 0.000 0.468 143 A N 2.140 125.006 122.820 0.077 0.000 2.410 143 A HA 0.744 5.063 4.320 -0.002 0.000 0.289 143 A C -1.042 176.677 177.584 0.225 0.000 1.200 143 A CA -0.770 51.273 52.037 0.011 0.000 0.751 143 A CB 0.408 19.263 19.000 -0.241 0.000 1.161 143 A HN 0.697 nan 8.150 nan 0.000 0.459 144 N N 1.747 120.608 118.700 0.269 0.000 2.321 144 N HA 0.715 5.453 4.740 -0.002 0.000 0.299 144 N C -0.531 175.262 175.510 0.472 0.000 1.048 144 N CA -0.379 52.869 53.050 0.330 0.000 0.836 144 N CB 2.292 40.818 38.487 0.066 0.000 1.269 144 N HN 0.809 nan 8.380 nan 0.000 0.486 145 R N 1.272 122.015 120.500 0.404 0.000 2.690 145 R HA 0.446 4.785 4.340 -0.002 0.000 0.269 145 R C -1.742 174.405 176.300 -0.255 0.000 1.037 145 R CA -0.576 55.523 56.100 -0.001 0.000 0.877 145 R CB 1.421 31.406 30.300 -0.525 0.000 1.255 145 R HN 0.435 nan 8.270 nan 0.000 0.467 146 L N 3.006 123.903 121.223 -0.543 0.000 2.325 146 L HA 0.614 4.953 4.340 -0.002 0.000 0.278 146 L C -1.165 175.228 176.870 -0.795 0.000 1.023 146 L CA -0.664 53.871 54.840 -0.508 0.000 0.811 146 L CB 1.317 43.127 42.059 -0.416 0.000 1.249 146 L HN 0.503 nan 8.230 nan 0.000 0.431 147 F N 0.625 120.500 119.950 -0.124 0.000 2.551 147 F HA 0.764 5.289 4.527 -0.003 0.000 0.316 147 F C 0.526 176.302 175.800 -0.040 0.000 1.089 147 F CA -0.602 57.372 58.000 -0.044 0.000 0.915 147 F CB 2.266 41.334 39.000 0.114 0.000 1.186 147 F HN 0.368 nan 8.300 nan 0.000 0.456 148 G N -0.492 108.449 108.800 0.236 0.000 2.695 148 G HA2 0.532 4.490 3.960 -0.002 0.000 0.290 148 G HA3 0.532 4.490 3.960 -0.002 0.000 0.290 148 G C -1.829 173.376 174.900 0.509 0.000 1.410 148 G CA -0.337 44.905 45.100 0.237 0.000 0.844 148 G HN 0.782 nan 8.290 nan 0.000 0.478 149 D N -0.913 119.777 120.400 0.483 0.000 2.350 149 D HA 0.532 5.171 4.640 -0.002 0.000 0.249 149 D C 1.361 177.826 176.300 0.274 0.000 1.119 149 D CA 0.560 54.813 54.000 0.422 0.000 0.886 149 D CB 0.829 41.823 40.800 0.323 0.000 1.195 149 D HN 0.958 nan 8.370 nan 0.000 0.437 150 K N -0.053 120.458 120.400 0.186 0.000 2.360 150 K HA 0.021 4.340 4.320 -0.002 0.000 0.201 150 K C 1.817 178.433 176.600 0.026 0.000 1.046 150 K CA 1.564 57.910 56.287 0.098 0.000 0.945 150 K CB -0.875 31.665 32.500 0.065 0.000 0.750 150 K HN 0.946 nan 8.250 nan 0.000 0.464 151 S N 0.046 115.774 115.700 0.046 0.000 3.033 151 S HA 0.516 4.985 4.470 -0.002 0.000 0.258 151 S C 0.094 174.667 174.600 -0.046 0.000 1.207 151 S CA -0.314 57.891 58.200 0.009 0.000 1.248 151 S CB -1.172 62.054 63.200 0.043 0.000 0.932 151 S HN 0.406 nan 8.310 nan 0.000 0.472 152 L N -0.908 120.231 121.223 -0.140 0.000 3.020 152 L HA 0.448 4.786 4.340 -0.002 0.000 0.273 152 L C -1.096 175.457 176.870 -0.528 0.000 1.018 152 L CA -0.647 54.006 54.840 -0.312 0.000 0.950 152 L CB 2.033 43.875 42.059 -0.362 0.000 1.510 152 L HN 0.062 nan 8.230 nan 0.000 0.404 153 T N 0.547 114.726 114.554 -0.626 0.000 2.879 153 T HA 0.653 5.002 4.350 -0.002 0.000 0.290 153 T C -0.997 173.310 174.700 -0.655 0.000 0.993 153 T CA -0.352 61.406 62.100 -0.569 0.000 0.975 153 T CB 1.032 69.747 68.868 -0.255 0.000 0.981 153 T HN 0.107 nan 8.240 nan 0.000 0.439 154 F N 1.906 121.846 119.950 -0.017 0.000 2.411 154 F HA 0.449 4.974 4.527 -0.002 0.000 0.324 154 F C 2.070 177.863 175.800 -0.012 0.000 1.086 154 F CA -1.464 56.518 58.000 -0.029 0.000 1.028 154 F CB 0.519 39.513 39.000 -0.010 0.000 1.284 154 F HN 0.456 nan 8.300 nan 0.000 0.501 155 N N 0.384 119.205 118.700 0.201 0.000 2.069 155 N HA -0.267 4.471 4.740 -0.002 0.000 0.196 155 N C 0.719 176.297 175.510 0.114 0.000 1.024 155 N CA 2.250 55.370 53.050 0.115 0.000 0.869 155 N CB 0.030 38.595 38.487 0.129 0.000 1.035 155 N HN 0.614 nan 8.380 nan 0.000 0.434 156 E N -2.516 117.781 120.200 0.162 0.000 4.129 156 E HA -0.157 4.192 4.350 -0.002 0.000 0.354 156 E C 0.590 177.230 176.600 0.067 0.000 0.673 156 E CA 1.338 57.801 56.400 0.104 0.000 1.347 156 E CB -1.530 28.209 29.700 0.067 0.000 1.722 156 E HN 0.484 nan 8.360 nan 0.000 0.410 157 T N -1.316 113.286 114.554 0.080 0.000 3.056 157 T HA 0.057 4.406 4.350 -0.002 0.000 0.241 157 T C 1.246 175.971 174.700 0.042 0.000 1.006 157 T CA 0.768 62.896 62.100 0.047 0.000 1.115 157 T CB -0.161 68.734 68.868 0.045 0.000 0.939 157 T HN 0.288 nan 8.240 nan 0.000 0.462 158 Y N 2.786 123.065 120.300 -0.036 0.000 2.089 158 Y HA -0.111 4.438 4.550 -0.002 0.000 0.282 158 Y C 2.830 178.684 175.900 -0.076 0.000 1.139 158 Y CA 2.184 60.239 58.100 -0.075 0.000 1.123 158 Y CB -0.785 37.622 38.460 -0.088 0.000 0.980 158 Y HN 0.195 nan 8.280 nan 0.000 0.493 159 Q N 0.230 120.080 119.800 0.082 0.000 2.561 159 Q HA -0.109 4.230 4.340 -0.002 0.000 0.217 159 Q C 1.271 177.225 176.000 -0.076 0.000 0.980 159 Q CA 1.694 57.486 55.803 -0.018 0.000 0.927 159 Q CB -0.683 28.124 28.738 0.115 0.000 0.980 159 Q HN 0.683 nan 8.270 nan 0.000 0.525 160 D N -1.352 119.001 120.400 -0.078 0.000 2.454 160 D HA 0.210 4.848 4.640 -0.002 0.000 0.219 160 D C 1.645 177.895 176.300 -0.084 0.000 1.081 160 D CA -0.011 53.954 54.000 -0.058 0.000 0.867 160 D CB 0.494 41.282 40.800 -0.020 0.000 1.054 160 D HN 0.542 nan 8.370 nan 0.000 0.500 161 I N 0.530 121.015 120.570 -0.142 0.000 2.333 161 I HA -0.165 4.004 4.170 -0.002 0.000 0.246 161 I C 2.170 178.194 176.117 -0.155 0.000 1.106 161 I CA 0.511 61.737 61.300 -0.123 0.000 1.411 161 I CB 0.012 37.927 38.000 -0.141 0.000 1.082 161 I HN -0.154 nan 8.210 nan 0.000 0.420 162 S N 0.635 116.148 115.700 -0.312 0.000 2.392 162 S HA -0.291 4.178 4.470 -0.002 0.000 0.232 162 S C 1.843 176.388 174.600 -0.091 0.000 1.041 162 S CA 1.943 59.990 58.200 -0.253 0.000 1.026 162 S CB -0.357 62.605 63.200 -0.396 0.000 0.845 162 S HN 0.442 nan 8.310 nan 0.000 0.465 163 E N 1.128 121.272 120.200 -0.094 0.000 2.130 163 E HA -0.165 4.184 4.350 -0.002 0.000 0.196 163 E C 1.854 178.440 176.600 -0.024 0.000 0.998 163 E CA 1.800 58.173 56.400 -0.045 0.000 0.806 163 E CB -0.386 29.290 29.700 -0.040 0.000 0.738 163 E HN 0.475 nan 8.360 nan 0.000 0.459 164 L N -0.555 120.655 121.223 -0.021 0.000 2.347 164 L HA 0.310 4.649 4.340 -0.002 0.000 0.196 164 L C 2.501 179.371 176.870 0.000 0.000 1.072 164 L CA 1.218 56.056 54.840 -0.004 0.000 0.817 164 L CB -0.906 41.160 42.059 0.012 0.000 1.029 164 L HN 0.182 nan 8.230 nan 0.000 0.478 165 V N -1.927 118.003 119.914 0.027 0.000 3.461 165 V HA 0.006 4.125 4.120 -0.002 0.000 0.267 165 V C 1.376 177.525 176.094 0.092 0.000 1.186 165 V CA 1.354 63.683 62.300 0.049 0.000 1.154 165 V CB -0.046 31.860 31.823 0.138 0.000 0.802 165 V HN 0.787 nan 8.190 nan 0.000 0.474 166 Y N -0.983 119.259 120.300 -0.098 0.000 2.809 166 Y HA 0.463 5.012 4.550 -0.002 0.000 0.251 166 Y C 1.356 177.207 175.900 -0.082 0.000 1.136 166 Y CA 0.182 58.221 58.100 -0.102 0.000 1.185 166 Y CB 0.742 39.119 38.460 -0.137 0.000 1.260 166 Y HN 0.186 nan 8.280 nan 0.000 0.576 167 G N 1.372 110.150 108.800 -0.037 0.000 2.530 167 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.247 167 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.247 167 G C 0.299 175.215 174.900 0.026 0.000 1.067 167 G CA 0.314 45.394 45.100 -0.033 0.000 0.650 167 G HN 1.156 nan 8.290 nan 0.000 0.531 168 A N -0.290 122.562 122.820 0.053 0.000 2.455 168 A HA 0.703 5.021 4.320 -0.002 0.000 0.300 168 A C -0.123 177.417 177.584 -0.073 0.000 1.040 168 A CA -0.194 51.846 52.037 0.005 0.000 0.697 168 A CB 1.136 20.144 19.000 0.013 0.000 1.265 168 A HN 0.387 nan 8.150 nan 0.000 0.407 169 K N 1.488 121.825 120.400 -0.105 0.000 2.355 169 K HA 0.252 4.571 4.320 -0.002 0.000 0.270 169 K C 0.245 176.716 176.600 -0.214 0.000 1.003 169 K CA -0.324 55.877 56.287 -0.144 0.000 0.957 169 K CB 0.824 33.273 32.500 -0.085 0.000 0.939 169 K HN 0.687 nan 8.250 nan 0.000 0.482 170 L N 1.504 122.589 121.223 -0.231 0.000 2.517 170 L HA -0.145 4.194 4.340 -0.002 0.000 0.294 170 L C -0.124 176.568 176.870 -0.298 0.000 1.264 170 L CA 0.421 55.063 54.840 -0.330 0.000 0.839 170 L CB 0.405 42.254 42.059 -0.351 0.000 1.098 170 L HN 0.569 nan 8.230 nan 0.000 0.525 171 Q N 4.750 124.316 119.800 -0.391 0.000 2.310 171 Q HA 0.538 4.876 4.340 -0.002 0.000 0.270 171 Q C -2.625 173.452 176.000 0.128 0.000 1.025 171 Q CA -2.031 53.685 55.803 -0.145 0.000 0.772 171 Q CB 2.142 30.756 28.738 -0.207 0.000 1.253 171 Q HN 0.243 nan 8.270 nan 0.000 0.450 172 P HA 0.486 nan 4.420 nan 0.000 0.292 172 P C -1.295 176.124 177.300 0.198 0.000 1.287 172 P CA -0.129 63.147 63.100 0.293 0.000 0.800 172 P CB 0.837 32.713 31.700 0.294 0.000 0.945 173 L N 1.711 123.044 121.223 0.183 0.000 2.445 173 L HA 0.592 4.931 4.340 -0.002 0.000 0.262 173 L C -0.117 176.707 176.870 -0.076 0.000 0.974 173 L CA -1.152 53.667 54.840 -0.034 0.000 0.822 173 L CB 1.393 43.306 42.059 -0.245 0.000 1.339 173 L HN 0.238 nan 8.230 nan 0.000 0.409 174 D N 0.925 121.255 120.400 -0.117 0.000 2.356 174 D HA 0.252 4.891 4.640 -0.002 0.000 0.272 174 D C 0.417 176.638 176.300 -0.132 0.000 1.337 174 D CA 0.726 54.690 54.000 -0.060 0.000 0.970 174 D CB 0.072 40.840 40.800 -0.053 0.000 1.092 174 D HN 0.457 nan 8.370 nan 0.000 0.516 175 F N 2.681 122.651 119.950 0.034 0.000 2.559 175 F HA 0.141 4.667 4.527 -0.002 0.000 0.286 175 F C 2.484 178.304 175.800 0.032 0.000 1.108 175 F CA 0.694 58.713 58.000 0.032 0.000 1.436 175 F CB -0.299 38.724 39.000 0.039 0.000 1.130 175 F HN 0.376 nan 8.300 nan 0.000 0.584 176 K N 0.862 121.394 120.400 0.220 0.000 1.963 176 K HA -0.082 4.236 4.320 -0.002 0.000 0.216 176 K C 2.085 178.742 176.600 0.095 0.000 1.045 176 K CA 2.021 58.390 56.287 0.137 0.000 0.954 176 K CB -1.634 30.926 32.500 0.100 0.000 0.732 176 K HN 0.297 nan 8.250 nan 0.000 0.442 177 E N 1.689 121.928 120.200 0.065 0.000 2.007 177 E HA -0.088 4.261 4.350 -0.002 0.000 0.194 177 E C 1.230 177.853 176.600 0.039 0.000 0.999 177 E CA 1.671 58.096 56.400 0.042 0.000 0.811 177 E CB -0.886 28.830 29.700 0.026 0.000 0.762 177 E HN 0.947 nan 8.360 nan 0.000 0.450 178 N N -2.623 116.092 118.700 0.024 0.000 2.531 178 N HA 0.640 5.379 4.740 -0.002 0.000 0.290 178 N C -0.574 174.935 175.510 -0.002 0.000 1.257 178 N CA -0.252 52.805 53.050 0.011 0.000 0.863 178 N CB 2.224 40.704 38.487 -0.011 0.000 1.320 178 N HN 0.520 nan 8.380 nan 0.000 0.538 179 A N -2.051 120.763 122.820 -0.011 0.000 3.368 179 A HA 0.612 4.931 4.320 -0.002 0.000 0.211 179 A C 0.186 177.744 177.584 -0.043 0.000 1.004 179 A CA 0.150 52.162 52.037 -0.042 0.000 1.059 179 A CB -0.979 18.096 19.000 0.125 0.000 1.298 179 A HN 0.835 nan 8.150 nan 0.000 0.613 180 E N -1.195 118.964 120.200 -0.068 0.000 2.713 180 E HA 0.285 4.633 4.350 -0.002 0.000 0.201 180 E C 1.854 178.407 176.600 -0.079 0.000 0.935 180 E CA 1.358 57.728 56.400 -0.051 0.000 1.273 180 E CB -0.659 29.025 29.700 -0.027 0.000 1.221 180 E HN 1.178 nan 8.360 nan 0.000 0.547 181 Q N 0.586 120.334 119.800 -0.087 0.000 2.364 181 Q HA 0.029 4.368 4.340 -0.002 0.000 0.209 181 Q C 2.406 178.322 176.000 -0.141 0.000 0.977 181 Q CA 1.992 57.741 55.803 -0.090 0.000 0.885 181 Q CB -0.700 27.994 28.738 -0.075 0.000 0.941 181 Q HN 0.527 nan 8.270 nan 0.000 0.464 182 S N -0.256 115.315 115.700 -0.214 0.000 2.339 182 S HA 0.103 4.572 4.470 -0.002 0.000 0.213 182 S C 2.442 176.862 174.600 -0.300 0.000 1.033 182 S CA 0.766 58.758 58.200 -0.347 0.000 0.950 182 S CB -0.327 62.495 63.200 -0.631 0.000 0.893 182 S HN 0.842 nan 8.310 nan 0.000 0.492 183 R N 0.882 121.252 120.500 -0.216 0.000 2.417 183 R HA 0.323 4.661 4.340 -0.002 0.000 0.220 183 R C 1.443 177.691 176.300 -0.087 0.000 1.128 183 R CA 1.389 57.433 56.100 -0.093 0.000 1.048 183 R CB -1.476 28.822 30.300 -0.003 0.000 0.835 183 R HN 0.507 nan 8.270 nan 0.000 0.483 184 A N -2.070 120.685 122.820 -0.107 0.000 2.377 184 A HA 0.632 4.951 4.320 -0.002 0.000 0.209 184 A C 2.274 179.819 177.584 -0.064 0.000 1.359 184 A CA 0.720 52.716 52.037 -0.069 0.000 1.026 184 A CB 0.001 18.971 19.000 -0.051 0.000 1.224 184 A HN 0.770 nan 8.150 nan 0.000 0.528 185 A N 0.245 123.000 122.820 -0.109 0.000 2.067 185 A HA 0.095 4.414 4.320 -0.002 0.000 0.219 185 A C 1.859 179.402 177.584 -0.069 0.000 1.158 185 A CA 1.331 53.316 52.037 -0.087 0.000 0.661 185 A CB -0.461 18.457 19.000 -0.136 0.000 0.801 185 A HN 0.479 nan 8.150 nan 0.000 0.452 186 I N -0.656 119.817 120.570 -0.161 0.000 2.270 186 I HA -0.148 4.021 4.170 -0.002 0.000 0.239 186 I C 1.722 177.895 176.117 0.093 0.000 1.080 186 I CA 0.934 62.156 61.300 -0.130 0.000 1.383 186 I CB -0.361 37.448 38.000 -0.317 0.000 1.097 186 I HN 0.203 nan 8.210 nan 0.000 0.420 187 N N 1.395 120.109 118.700 0.023 0.000 2.513 187 N HA -0.176 4.562 4.740 -0.002 0.000 0.187 187 N C 1.731 177.270 175.510 0.049 0.000 1.056 187 N CA 1.494 54.566 53.050 0.036 0.000 0.907 187 N CB -0.358 38.125 38.487 -0.007 0.000 0.954 187 N HN 0.362 nan 8.380 nan 0.000 0.445 188 K N -0.519 119.921 120.400 0.066 0.000 2.099 188 K HA 0.002 4.320 4.320 -0.002 0.000 0.203 188 K C 1.825 178.500 176.600 0.126 0.000 1.047 188 K CA 0.789 57.118 56.287 0.070 0.000 0.963 188 K CB -1.381 31.155 32.500 0.060 0.000 0.759 188 K HN 0.284 nan 8.250 nan 0.000 0.451 189 W N 0.914 122.221 121.300 0.012 0.000 2.322 189 W HA -0.227 4.432 4.660 -0.002 0.000 0.326 189 W C 1.951 178.508 176.519 0.063 0.000 1.224 189 W CA 2.434 59.813 57.345 0.057 0.000 1.257 189 W CB -0.737 28.798 29.460 0.125 0.000 1.174 189 W HN 0.138 nan 8.180 nan 0.000 0.460 190 V N 0.658 120.639 119.914 0.112 0.000 2.252 190 V HA -0.423 3.696 4.120 -0.002 0.000 0.255 190 V C 2.519 178.508 176.094 -0.174 0.000 1.071 190 V CA 3.348 65.582 62.300 -0.111 0.000 1.050 190 V CB -1.557 30.330 31.823 0.106 0.000 0.654 190 V HN 0.431 nan 8.190 nan 0.000 0.448 191 S N -0.210 115.447 115.700 -0.073 0.000 2.369 191 S HA -0.322 4.146 4.470 -0.002 0.000 0.225 191 S C 2.087 176.606 174.600 -0.136 0.000 1.043 191 S CA 2.335 60.485 58.200 -0.082 0.000 1.074 191 S CB -0.853 62.324 63.200 -0.039 0.000 0.962 191 S HN 0.818 nan 8.310 nan 0.000 0.433 192 N N 1.238 119.852 118.700 -0.142 0.000 2.018 192 N HA -0.188 4.551 4.740 -0.002 0.000 0.196 192 N C 2.060 177.429 175.510 -0.235 0.000 1.043 192 N CA 2.480 55.437 53.050 -0.156 0.000 0.856 192 N CB -0.778 37.639 38.487 -0.116 0.000 1.042 192 N HN 0.631 nan 8.380 nan 0.000 0.423 193 K N 0.100 120.251 120.400 -0.415 0.000 2.009 193 K HA -0.101 4.218 4.320 -0.002 0.000 0.210 193 K C 1.767 178.206 176.600 -0.268 0.000 1.049 193 K CA 1.990 58.014 56.287 -0.438 0.000 0.929 193 K CB -1.890 30.107 32.500 -0.837 0.000 0.714 193 K HN 0.650 nan 8.250 nan 0.000 0.440 194 T N -1.825 112.584 114.554 -0.242 0.000 3.535 194 T HA 0.433 4.782 4.350 -0.002 0.000 0.238 194 T C 0.764 175.347 174.700 -0.194 0.000 0.909 194 T CA 1.102 63.103 62.100 -0.165 0.000 0.928 194 T CB -1.060 67.741 68.868 -0.112 0.000 1.134 194 T HN 1.158 nan 8.240 nan 0.000 0.627 195 E N -0.301 119.792 120.200 -0.179 0.000 2.670 195 E HA -0.230 4.119 4.350 -0.002 0.000 0.257 195 E C 1.692 178.178 176.600 -0.190 0.000 1.186 195 E CA 1.495 57.791 56.400 -0.174 0.000 0.734 195 E CB -2.537 27.053 29.700 -0.183 0.000 1.325 195 E HN 2.261 nan 8.360 nan 0.000 0.426 196 G N -1.568 107.129 108.800 -0.172 0.000 2.217 196 G HA2 -0.393 3.565 3.960 -0.002 0.000 0.246 196 G HA3 -0.393 3.565 3.960 -0.002 0.000 0.246 196 G C 1.219 176.015 174.900 -0.173 0.000 0.990 196 G CA 0.969 45.983 45.100 -0.144 0.000 0.627 196 G HN 1.009 nan 8.290 nan 0.000 0.522 197 R N -0.305 120.019 120.500 -0.292 0.000 2.241 197 R HA 0.152 4.490 4.340 -0.002 0.000 0.224 197 R C 0.763 176.985 176.300 -0.131 0.000 1.101 197 R CA 1.000 56.839 56.100 -0.435 0.000 0.995 197 R CB 0.020 29.741 30.300 -0.965 0.000 0.870 197 R HN 0.402 nan 8.270 nan 0.000 0.463 198 I N 1.178 121.722 120.570 -0.042 0.000 2.436 198 I HA 0.236 4.404 4.170 -0.002 0.000 0.289 198 I C 0.190 176.333 176.117 0.043 0.000 1.010 198 I CA -0.310 61.042 61.300 0.086 0.000 1.098 198 I CB 1.633 39.687 38.000 0.091 0.000 1.266 198 I HN 0.023 nan 8.210 nan 0.000 0.434 199 T N -0.004 114.588 114.554 0.063 0.000 2.838 199 T HA 0.399 4.748 4.350 -0.002 0.000 0.292 199 T C -0.408 174.305 174.700 0.022 0.000 1.113 199 T CA -0.794 61.324 62.100 0.030 0.000 1.008 199 T CB 1.573 70.453 68.868 0.021 0.000 1.259 199 T HN 0.672 nan 8.240 nan 0.000 0.520 200 D N -0.847 119.553 120.400 -0.001 0.000 2.713 200 D HA -0.195 4.444 4.640 -0.002 0.000 0.231 200 D C 0.801 177.069 176.300 -0.053 0.000 1.173 200 D CA 0.727 54.710 54.000 -0.028 0.000 0.628 200 D CB -2.156 38.630 40.800 -0.024 0.000 1.033 200 D HN 0.329 nan 8.370 nan 0.000 0.419 201 V N -0.626 119.267 119.914 -0.035 0.000 2.332 201 V HA -0.170 3.949 4.120 -0.002 0.000 0.248 201 V C 1.543 177.498 176.094 -0.232 0.000 1.055 201 V CA 1.595 63.869 62.300 -0.042 0.000 1.038 201 V CB -0.362 31.492 31.823 0.052 0.000 0.651 201 V HN 0.550 nan 8.190 nan 0.000 0.450 202 I N 2.409 122.809 120.570 -0.285 0.000 2.382 202 I HA 0.317 4.486 4.170 -0.002 0.000 0.285 202 I C -2.256 173.657 176.117 -0.341 0.000 1.007 202 I CA -2.048 58.901 61.300 -0.585 0.000 1.142 202 I CB 1.836 39.650 38.000 -0.311 0.000 1.289 202 I HN 0.104 nan 8.210 nan 0.000 0.453 203 P HA 0.035 nan 4.420 nan 0.000 0.268 203 P C -0.333 176.920 177.300 -0.079 0.000 1.208 203 P CA -0.092 62.920 63.100 -0.148 0.000 0.777 203 P CB 0.655 32.294 31.700 -0.101 0.000 0.875 204 S N 0.450 116.128 115.700 -0.036 0.000 2.564 204 S HA 0.364 4.832 4.470 -0.002 0.000 0.278 204 S C 0.977 175.588 174.600 0.018 0.000 1.333 204 S CA 0.779 58.975 58.200 -0.008 0.000 1.048 204 S CB -0.371 62.825 63.200 -0.007 0.000 0.900 204 S HN 0.750 nan 8.310 nan 0.000 0.505 205 E N -1.046 119.177 120.200 0.038 0.000 2.442 205 E HA -0.112 4.237 4.350 -0.002 0.000 0.256 205 E C 0.460 177.109 176.600 0.082 0.000 1.095 205 E CA 1.298 57.732 56.400 0.056 0.000 0.747 205 E CB -2.126 27.599 29.700 0.042 0.000 1.310 205 E HN 1.218 nan 8.360 nan 0.000 0.396 206 A N -1.571 121.317 122.820 0.113 0.000 2.141 206 A HA 0.709 5.028 4.320 -0.002 0.000 0.196 206 A C 1.688 179.410 177.584 0.230 0.000 1.502 206 A CA 1.200 53.344 52.037 0.178 0.000 1.075 206 A CB 0.528 19.654 19.000 0.209 0.000 1.217 206 A HN 2.093 nan 8.150 nan 0.000 0.477 207 I N 2.519 123.227 120.570 0.229 0.000 2.523 207 I HA 0.535 4.704 4.170 -0.002 0.000 0.281 207 I C -0.002 176.292 176.117 0.296 0.000 1.126 207 I CA -0.331 61.158 61.300 0.316 0.000 1.187 207 I CB -1.279 36.974 38.000 0.422 0.000 1.478 207 I HN 0.534 nan 8.210 nan 0.000 0.522 208 N N 2.143 120.974 118.700 0.219 0.000 2.452 208 N HA 0.553 5.292 4.740 -0.002 0.000 0.296 208 N C 1.266 176.916 175.510 0.234 0.000 1.304 208 N CA 0.414 53.575 53.050 0.185 0.000 0.956 208 N CB 0.099 38.659 38.487 0.123 0.000 1.106 208 N HN 0.463 nan 8.380 nan 0.000 0.555 209 E N -1.284 119.014 120.200 0.164 0.000 2.204 209 E HA 0.008 4.357 4.350 -0.002 0.000 0.195 209 E C 2.076 178.761 176.600 0.143 0.000 0.990 209 E CA 1.852 58.349 56.400 0.162 0.000 0.821 209 E CB -1.460 28.303 29.700 0.106 0.000 0.750 209 E HN 0.656 nan 8.360 nan 0.000 0.477 210 L N -0.136 121.153 121.223 0.111 0.000 2.529 210 L HA 0.349 4.687 4.340 -0.002 0.000 0.223 210 L C 2.050 178.938 176.870 0.029 0.000 1.113 210 L CA 1.108 56.002 54.840 0.090 0.000 0.861 210 L CB -0.972 41.146 42.059 0.099 0.000 1.012 210 L HN 0.234 nan 8.230 nan 0.000 0.461 211 T N 0.779 115.306 114.554 -0.045 0.000 2.784 211 T HA 0.317 4.666 4.350 -0.002 0.000 0.291 211 T C 1.584 175.916 174.700 -0.614 0.000 0.942 211 T CA 0.845 62.767 62.100 -0.298 0.000 1.161 211 T CB 0.929 69.621 68.868 -0.292 0.000 0.885 211 T HN 0.685 nan 8.240 nan 0.000 0.534 212 V N 3.052 122.629 119.914 -0.562 0.000 2.672 212 V HA 0.497 4.616 4.120 -0.002 0.000 0.242 212 V C 0.295 176.080 176.094 -0.515 0.000 1.059 212 V CA 0.260 62.271 62.300 -0.483 0.000 1.081 212 V CB -0.104 31.513 31.823 -0.344 0.000 0.752 212 V HN 0.532 nan 8.190 nan 0.000 0.472 213 L N 2.001 122.885 121.223 -0.566 0.000 2.436 213 L HA 0.816 5.155 4.340 -0.002 0.000 0.268 213 L C -1.002 175.671 176.870 -0.328 0.000 0.974 213 L CA -0.652 53.952 54.840 -0.394 0.000 0.826 213 L CB 2.105 43.948 42.059 -0.360 0.000 1.291 213 L HN 0.283 nan 8.230 nan 0.000 0.406 214 V N 2.441 122.251 119.914 -0.172 0.000 2.686 214 V HA 0.655 4.774 4.120 -0.002 0.000 0.306 214 V C -1.071 175.026 176.094 0.004 0.000 1.065 214 V CA -0.795 61.463 62.300 -0.069 0.000 0.894 214 V CB 1.704 33.572 31.823 0.074 0.000 1.004 214 V HN 0.601 nan 8.190 nan 0.000 0.424 215 L N 4.850 126.035 121.223 -0.062 0.000 2.276 215 L HA 0.714 5.052 4.340 -0.002 0.000 0.286 215 L C -0.029 176.931 176.870 0.150 0.000 1.061 215 L CA -0.044 54.766 54.840 -0.049 0.000 0.807 215 L CB 1.635 43.562 42.059 -0.221 0.000 1.177 215 L HN 0.656 nan 8.230 nan 0.000 0.429 216 V N 3.234 123.298 119.914 0.249 0.000 2.443 216 V HA 0.531 4.649 4.120 -0.002 0.000 0.293 216 V C -0.924 175.390 176.094 0.365 0.000 1.021 216 V CA -0.770 61.761 62.300 0.385 0.000 0.848 216 V CB 1.612 33.756 31.823 0.535 0.000 0.998 216 V HN 0.923 nan 8.190 nan 0.000 0.424 217 N N 1.837 120.747 118.700 0.350 0.000 2.558 217 N HA 0.610 5.348 4.740 -0.002 0.000 0.285 217 N C -0.411 175.245 175.510 0.242 0.000 1.112 217 N CA -0.654 52.600 53.050 0.341 0.000 0.857 217 N CB 1.994 40.718 38.487 0.394 0.000 1.376 217 N HN 0.603 nan 8.380 nan 0.000 0.526 218 T N -0.415 114.248 114.554 0.182 0.000 2.876 218 T HA 0.805 5.154 4.350 -0.002 0.000 0.277 218 T C -0.110 174.669 174.700 0.131 0.000 0.997 218 T CA -0.819 61.327 62.100 0.077 0.000 0.966 218 T CB 1.101 70.039 68.868 0.116 0.000 1.312 218 T HN 0.662 nan 8.240 nan 0.000 0.598 219 I N -0.409 120.265 120.570 0.174 0.000 2.558 219 I HA 0.432 4.601 4.170 -0.002 0.000 0.301 219 I C -2.511 173.842 176.117 0.394 0.000 1.879 219 I CA -0.939 60.534 61.300 0.289 0.000 0.959 219 I CB 1.618 39.836 38.000 0.363 0.000 1.541 219 I HN 0.974 nan 8.210 nan 0.000 0.576 220 Y N 7.405 127.842 120.300 0.229 0.000 2.433 220 Y HA 0.732 5.280 4.550 -0.002 0.000 0.337 220 Y C -2.237 173.766 175.900 0.172 0.000 1.026 220 Y CA -1.018 57.183 58.100 0.167 0.000 1.037 220 Y CB 1.756 40.192 38.460 -0.040 0.000 1.245 220 Y HN 0.452 nan 8.280 nan 0.000 0.443 221 F N 6.889 126.346 119.950 -0.822 0.000 2.585 221 F HA 0.493 5.019 4.527 -0.002 0.000 0.319 221 F C -1.673 173.546 175.800 -0.968 0.000 1.165 221 F CA -0.766 56.774 58.000 -0.767 0.000 0.949 221 F CB 1.417 40.092 39.000 -0.543 0.000 1.218 221 F HN 0.520 nan 8.300 nan 0.000 0.453 222 K N 5.202 124.605 120.400 -1.661 0.000 2.527 222 K HA 0.513 4.832 4.320 -0.002 0.000 0.240 222 K C -0.051 175.565 176.600 -1.640 0.000 0.989 222 K CA -0.587 54.876 56.287 -1.372 0.000 0.985 222 K CB 0.898 32.910 32.500 -0.813 0.000 1.221 222 K HN 0.894 nan 8.250 nan 0.000 0.458 223 G N 3.145 110.733 108.800 -2.021 0.000 2.380 223 G HA2 0.124 4.083 3.960 -0.002 0.000 0.242 223 G HA3 0.124 4.083 3.960 -0.002 0.000 0.242 223 G C -0.607 173.599 174.900 -1.158 0.000 1.298 223 G CA -0.450 43.458 45.100 -1.987 0.000 0.878 223 G HN 0.624 nan 8.290 nan 0.000 0.542 224 L N 3.825 124.606 121.223 -0.738 0.000 2.272 224 L HA 0.436 4.775 4.340 -0.002 0.000 0.284 224 L C 0.169 177.054 176.870 0.025 0.000 1.045 224 L CA -1.103 53.544 54.840 -0.322 0.000 0.842 224 L CB 0.160 42.106 42.059 -0.188 0.000 1.224 224 L HN 0.684 nan 8.230 nan 0.000 0.430 225 W N 4.388 125.806 121.300 0.197 0.000 2.388 225 W HA -0.101 4.558 4.660 -0.003 0.000 0.349 225 W C 1.516 178.139 176.519 0.174 0.000 1.254 225 W CA 0.007 57.484 57.345 0.221 0.000 1.380 225 W CB 0.468 29.989 29.460 0.102 0.000 1.224 225 W HN 0.544 nan 8.180 nan 0.000 0.613 226 K N 0.086 120.765 120.400 0.465 0.000 2.242 226 K HA 0.027 4.346 4.320 -0.002 0.000 0.200 226 K C 0.325 177.076 176.600 0.251 0.000 1.050 226 K CA 0.508 56.969 56.287 0.290 0.000 0.981 226 K CB 0.113 32.752 32.500 0.232 0.000 0.795 226 K HN 0.235 nan 8.250 nan 0.000 0.477 227 S N 1.527 117.395 115.700 0.279 0.000 2.423 227 S HA 0.237 4.706 4.470 -0.002 0.000 0.317 227 S C -0.779 173.983 174.600 0.270 0.000 1.065 227 S CA -0.405 57.931 58.200 0.226 0.000 1.111 227 S CB 1.185 64.535 63.200 0.251 0.000 0.968 227 S HN 0.299 nan 8.310 nan 0.000 0.474 228 K N 4.260 124.788 120.400 0.214 0.000 2.315 228 K HA 0.167 4.485 4.320 -0.002 0.000 0.281 228 K C -0.267 176.466 176.600 0.221 0.000 1.086 228 K CA 0.063 56.496 56.287 0.244 0.000 1.042 228 K CB -0.849 31.741 32.500 0.149 0.000 0.949 228 K HN 0.544 nan 8.250 nan 0.000 0.450 229 F N 2.277 122.244 119.950 0.028 0.000 2.612 229 F HA 0.035 4.560 4.527 -0.003 0.000 0.389 229 F C 1.257 177.050 175.800 -0.011 0.000 1.055 229 F CA 0.752 58.723 58.000 -0.048 0.000 1.232 229 F CB 0.394 39.373 39.000 -0.036 0.000 1.044 229 F HN 0.568 nan 8.300 nan 0.000 0.560 230 S N 5.585 121.270 115.700 -0.024 0.000 2.437 230 S HA 0.423 4.892 4.470 -0.002 0.000 0.305 230 S C -2.039 172.583 174.600 0.037 0.000 1.109 230 S CA -1.455 56.754 58.200 0.015 0.000 1.099 230 S CB 1.868 65.044 63.200 -0.040 0.000 1.004 230 S HN 0.294 nan 8.310 nan 0.000 0.475 231 P HA -0.212 nan 4.420 nan 0.000 0.215 231 P C 1.649 178.987 177.300 0.062 0.000 1.153 231 P CA 1.323 64.469 63.100 0.077 0.000 0.853 231 P CB -0.046 31.693 31.700 0.064 0.000 0.788 232 E N -0.297 119.928 120.200 0.043 0.000 2.301 232 E HA -0.235 4.113 4.350 -0.002 0.000 0.202 232 E C 0.897 177.530 176.600 0.055 0.000 1.017 232 E CA 1.285 57.709 56.400 0.040 0.000 0.831 232 E CB -1.218 28.497 29.700 0.025 0.000 0.742 232 E HN 0.360 nan 8.360 nan 0.000 0.491 233 N N 0.503 119.243 118.700 0.065 0.000 2.236 233 N HA 0.031 4.770 4.740 -0.002 0.000 0.196 233 N C -0.203 175.400 175.510 0.155 0.000 1.114 233 N CA 0.215 53.338 53.050 0.123 0.000 0.859 233 N CB 0.675 39.239 38.487 0.128 0.000 0.982 233 N HN 0.044 nan 8.380 nan 0.000 0.493 234 T N 2.618 117.248 114.554 0.127 0.000 2.884 234 T HA 0.336 4.685 4.350 -0.002 0.000 0.298 234 T C 0.644 175.411 174.700 0.112 0.000 0.998 234 T CA -0.145 62.041 62.100 0.144 0.000 1.124 234 T CB 0.910 69.865 68.868 0.146 0.000 0.931 234 T HN 0.302 nan 8.240 nan 0.000 0.531 235 R N 1.102 121.669 120.500 0.113 0.000 2.733 235 R HA 0.464 4.803 4.340 -0.002 0.000 0.272 235 R C -1.236 175.114 176.300 0.082 0.000 1.029 235 R CA -1.332 54.816 56.100 0.081 0.000 0.888 235 R CB 1.410 31.747 30.300 0.062 0.000 1.251 235 R HN 0.596 nan 8.270 nan 0.000 0.464 236 K N 1.228 121.664 120.400 0.060 0.000 2.237 236 K HA 0.347 4.665 4.320 -0.002 0.000 0.270 236 K C -0.857 175.770 176.600 0.044 0.000 1.015 236 K CA -0.280 56.040 56.287 0.054 0.000 0.949 236 K CB 1.164 33.687 32.500 0.037 0.000 0.976 236 K HN 0.678 nan 8.250 nan 0.000 0.472 237 E N 1.682 121.908 120.200 0.043 0.000 2.445 237 E HA 0.267 4.615 4.350 -0.002 0.000 0.279 237 E C -1.116 175.472 176.600 -0.021 0.000 1.018 237 E CA -0.972 55.436 56.400 0.013 0.000 0.816 237 E CB 1.599 31.316 29.700 0.028 0.000 1.356 237 E HN 0.437 nan 8.360 nan 0.000 0.462 238 L N 1.583 122.739 121.223 -0.111 0.000 2.326 238 L HA 0.415 4.754 4.340 -0.002 0.000 0.278 238 L C -0.659 175.957 176.870 -0.423 0.000 1.092 238 L CA -0.354 54.323 54.840 -0.271 0.000 0.810 238 L CB 0.425 42.245 42.059 -0.398 0.000 1.153 238 L HN 0.380 nan 8.230 nan 0.000 0.439 239 F N 2.345 122.006 119.950 -0.482 0.000 2.458 239 F HA 0.398 4.924 4.527 -0.002 0.000 0.336 239 F C -0.801 174.722 175.800 -0.462 0.000 1.114 239 F CA -0.530 57.247 58.000 -0.372 0.000 0.987 239 F CB 1.056 39.972 39.000 -0.140 0.000 1.130 239 F HN 0.184 nan 8.300 nan 0.000 0.458 240 Y N 5.751 125.863 120.300 -0.312 0.000 2.595 240 Y HA 0.344 4.893 4.550 -0.002 0.000 0.336 240 Y C 0.482 176.330 175.900 -0.085 0.000 0.996 240 Y CA -0.968 57.047 58.100 -0.143 0.000 1.260 240 Y CB 0.333 38.688 38.460 -0.175 0.000 1.108 240 Y HN 0.455 nan 8.280 nan 0.000 0.509 241 K N 0.866 121.385 120.400 0.199 0.000 2.244 241 K HA 0.250 4.569 4.320 -0.002 0.000 0.242 241 K C 1.273 177.938 176.600 0.108 0.000 1.082 241 K CA 0.350 56.748 56.287 0.185 0.000 0.841 241 K CB 0.345 32.934 32.500 0.148 0.000 1.129 241 K HN 0.657 nan 8.250 nan 0.000 0.516 242 A N 1.561 124.428 122.820 0.079 0.000 1.855 242 A HA -0.142 4.177 4.320 -0.002 0.000 0.215 242 A C 1.112 178.717 177.584 0.036 0.000 1.191 242 A CA 1.904 53.969 52.037 0.046 0.000 0.613 242 A CB -0.729 18.290 19.000 0.031 0.000 0.829 242 A HN 0.831 nan 8.150 nan 0.000 0.442 243 D N -0.831 119.591 120.400 0.037 0.000 2.490 243 D HA 0.283 4.922 4.640 -0.002 0.000 0.255 243 D C 1.156 177.479 176.300 0.038 0.000 1.248 243 D CA 0.750 54.768 54.000 0.029 0.000 0.887 243 D CB -1.105 39.709 40.800 0.023 0.000 0.978 243 D HN 0.670 nan 8.370 nan 0.000 0.491 244 G N -1.073 107.755 108.800 0.047 0.000 2.413 244 G HA2 -0.419 3.539 3.960 -0.002 0.000 0.259 244 G HA3 -0.419 3.539 3.960 -0.002 0.000 0.259 244 G C 0.596 175.559 174.900 0.104 0.000 1.003 244 G CA 0.911 46.043 45.100 0.055 0.000 0.629 244 G HN 0.913 nan 8.290 nan 0.000 0.548 245 E N 0.753 121.008 120.200 0.091 0.000 2.437 245 E HA 0.548 4.897 4.350 -0.002 0.000 0.263 245 E C 0.913 177.596 176.600 0.139 0.000 1.030 245 E CA 0.716 57.174 56.400 0.097 0.000 0.934 245 E CB 0.187 29.925 29.700 0.062 0.000 0.943 245 E HN 0.917 nan 8.360 nan 0.000 0.444 246 S N -0.884 114.887 115.700 0.119 0.000 2.632 246 S HA 0.627 5.096 4.470 -0.002 0.000 0.267 246 S C -0.050 174.557 174.600 0.011 0.000 1.193 246 S CA -0.053 58.178 58.200 0.051 0.000 1.003 246 S CB 1.089 64.320 63.200 0.053 0.000 1.073 246 S HN 1.158 nan 8.310 nan 0.000 0.553 247 c N 0.962 119.540 118.600 -0.038 0.000 3.193 247 c HA 0.299 4.867 4.570 -0.002 0.000 0.443 247 c C -0.913 173.174 174.090 -0.005 0.000 0.949 247 c CA -0.783 55.546 56.329 0.001 0.000 1.110 247 c CB 0.102 42.639 42.510 0.044 0.000 1.558 247 c HN 0.806 nan 8.230 nan 0.000 0.643 248 S N 3.616 119.314 115.700 -0.004 0.000 2.455 248 S HA 0.625 5.094 4.470 -0.002 0.000 0.278 248 S C 0.240 174.847 174.600 0.011 0.000 1.216 248 S CA 0.167 58.369 58.200 0.003 0.000 1.055 248 S CB 0.874 64.077 63.200 0.004 0.000 0.939 248 S HN 1.173 nan 8.310 nan 0.000 0.494 249 A N 2.677 125.520 122.820 0.038 0.000 2.386 249 A HA 0.784 5.103 4.320 -0.002 0.000 0.308 249 A C -0.017 177.614 177.584 0.079 0.000 1.128 249 A CA -0.767 51.298 52.037 0.045 0.000 0.789 249 A CB 1.367 20.404 19.000 0.062 0.000 1.325 249 A HN 0.566 nan 8.150 nan 0.000 0.437 250 S N 0.529 116.283 115.700 0.091 0.000 2.411 250 S HA 0.474 4.943 4.470 -0.002 0.000 0.294 250 S C -0.367 174.330 174.600 0.162 0.000 1.115 250 S CA -0.300 57.965 58.200 0.109 0.000 1.071 250 S CB -0.600 62.658 63.200 0.096 0.000 0.967 250 S HN 0.595 nan 8.310 nan 0.000 0.488 251 M N 6.900 126.604 119.600 0.173 0.000 2.088 251 M HA 0.475 4.954 4.480 -0.002 0.000 0.346 251 M C -0.551 175.902 176.300 0.254 0.000 1.111 251 M CA -0.085 55.353 55.300 0.230 0.000 1.017 251 M CB 0.732 33.464 32.600 0.219 0.000 1.568 251 M HN 0.606 nan 8.290 nan 0.000 0.445 252 M N 4.012 123.804 119.600 0.319 0.000 2.227 252 M HA 0.371 4.849 4.480 -0.002 0.000 0.316 252 M C -1.058 175.439 176.300 0.329 0.000 1.144 252 M CA -0.252 55.283 55.300 0.392 0.000 1.121 252 M CB 1.074 34.076 32.600 0.669 0.000 1.440 252 M HN 0.721 nan 8.290 nan 0.000 0.473 253 Y N 0.838 121.084 120.300 -0.091 0.000 2.521 253 Y HA 0.445 4.993 4.550 -0.003 0.000 0.328 253 Y C -1.660 173.925 175.900 -0.524 0.000 1.151 253 Y CA -0.762 57.147 58.100 -0.318 0.000 1.054 253 Y CB 1.483 39.804 38.460 -0.231 0.000 1.338 253 Y HN 0.743 nan 8.280 nan 0.000 0.453 254 Q N 3.709 122.810 119.800 -1.165 0.000 2.594 254 Q HA 0.399 4.737 4.340 -0.002 0.000 0.278 254 Q C -2.221 173.327 176.000 -0.754 0.000 0.961 254 Q CA -1.030 54.107 55.803 -1.111 0.000 0.844 254 Q CB 2.140 30.338 28.738 -0.901 0.000 1.475 254 Q HN 0.768 nan 8.270 nan 0.000 0.389 255 E N 0.302 120.137 120.200 -0.609 0.000 2.214 255 E HA 0.795 5.144 4.350 -0.002 0.000 0.274 255 E C -0.421 175.948 176.600 -0.384 0.000 0.977 255 E CA -0.496 55.685 56.400 -0.364 0.000 0.827 255 E CB 1.897 31.438 29.700 -0.265 0.000 1.130 255 E HN 0.823 nan 8.360 nan 0.000 0.394 256 G N 1.397 109.913 108.800 -0.473 0.000 2.322 256 G HA2 0.128 4.086 3.960 -0.002 0.000 0.295 256 G HA3 0.128 4.086 3.960 -0.002 0.000 0.295 256 G C -1.658 172.662 174.900 -0.966 0.000 1.369 256 G CA -0.971 43.679 45.100 -0.750 0.000 0.821 256 G HN 0.349 nan 8.290 nan 0.000 0.536 257 K N 0.208 120.061 120.400 -0.912 0.000 2.264 257 K HA 0.657 4.976 4.320 -0.002 0.000 0.277 257 K C -1.296 174.918 176.600 -0.642 0.000 1.067 257 K CA -0.455 55.475 56.287 -0.595 0.000 0.900 257 K CB 0.245 32.574 32.500 -0.286 0.000 1.124 257 K HN 0.211 nan 8.250 nan 0.000 0.469 258 F N 1.885 121.803 119.950 -0.053 0.000 2.588 258 F HA 0.448 4.974 4.527 -0.003 0.000 0.314 258 F C 0.188 175.992 175.800 0.007 0.000 1.069 258 F CA -1.147 56.824 58.000 -0.048 0.000 0.931 258 F CB 1.440 40.375 39.000 -0.109 0.000 1.260 258 F HN 0.300 nan 8.300 nan 0.000 0.465 259 R N 1.710 122.344 120.500 0.224 0.000 2.351 259 R HA 0.286 4.625 4.340 -0.002 0.000 0.318 259 R C -1.342 175.075 176.300 0.196 0.000 1.055 259 R CA -0.017 56.177 56.100 0.156 0.000 0.968 259 R CB 0.241 30.603 30.300 0.102 0.000 0.974 259 R HN 0.706 nan 8.270 nan 0.000 0.439 260 Y N 1.719 122.040 120.300 0.035 0.000 2.615 260 Y HA 0.615 5.163 4.550 -0.002 0.000 0.341 260 Y C -1.393 174.522 175.900 0.024 0.000 1.089 260 Y CA -1.415 56.694 58.100 0.015 0.000 1.049 260 Y CB 1.856 40.333 38.460 0.027 0.000 1.296 260 Y HN 0.457 nan 8.280 nan 0.000 0.470 261 R N 2.474 122.438 120.500 -0.893 0.000 2.594 261 R HA 0.430 4.769 4.340 -0.002 0.000 0.265 261 R C -2.029 173.734 176.300 -0.894 0.000 1.070 261 R CA -0.804 54.813 56.100 -0.804 0.000 0.909 261 R CB 1.542 31.668 30.300 -0.291 0.000 1.243 261 R HN 0.841 nan 8.270 nan 0.000 0.455 262 R N 4.016 124.154 120.500 -0.604 0.000 2.666 262 R HA 0.288 4.626 4.340 -0.002 0.000 0.275 262 R C 0.232 176.443 176.300 -0.149 0.000 1.266 262 R CA -0.476 55.452 56.100 -0.287 0.000 1.401 262 R CB 0.142 30.371 30.300 -0.118 0.000 1.145 262 R HN 0.558 nan 8.270 nan 0.000 0.581 263 V N 0.637 120.465 119.914 -0.144 0.000 3.766 263 V HA 0.457 4.575 4.120 -0.002 0.000 0.286 263 V C 0.920 177.024 176.094 0.016 0.000 1.055 263 V CA -0.356 61.925 62.300 -0.030 0.000 1.060 263 V CB 0.255 32.093 31.823 0.025 0.000 1.210 263 V HN 0.630 nan 8.190 nan 0.000 0.457 264 A N -0.075 122.797 122.820 0.087 0.000 2.521 264 A HA 0.451 4.770 4.320 -0.002 0.000 0.237 264 A C 1.481 179.110 177.584 0.075 0.000 1.087 264 A CA 1.427 53.514 52.037 0.084 0.000 0.777 264 A CB -1.180 17.888 19.000 0.113 0.000 1.035 264 A HN 2.715 nan 8.150 nan 0.000 0.510 265 E N -1.189 119.046 120.200 0.059 0.000 3.547 265 E HA 0.028 4.377 4.350 -0.002 0.000 0.300 265 E C 2.032 178.648 176.600 0.028 0.000 0.857 265 E CA 1.925 58.355 56.400 0.050 0.000 1.039 265 E CB -2.381 27.364 29.700 0.075 0.000 1.524 265 E HN 3.005 nan 8.360 nan 0.000 0.457 266 G N -0.681 108.130 108.800 0.017 0.000 2.305 266 G HA2 0.041 4.000 3.960 -0.002 0.000 0.287 266 G HA3 0.041 4.000 3.960 -0.002 0.000 0.287 266 G C 0.647 175.542 174.900 -0.008 0.000 1.036 266 G CA 1.618 46.721 45.100 0.004 0.000 0.887 266 G HN 2.333 nan 8.290 nan 0.000 0.505 267 T N -2.478 112.057 114.554 -0.031 0.000 2.902 267 T HA 0.692 5.041 4.350 -0.002 0.000 0.283 267 T C 0.004 174.657 174.700 -0.077 0.000 1.009 267 T CA -0.598 61.468 62.100 -0.057 0.000 1.051 267 T CB 1.926 70.741 68.868 -0.089 0.000 0.999 267 T HN 0.402 nan 8.240 nan 0.000 0.474 268 Q N 1.425 121.227 119.800 0.004 0.000 2.230 268 Q HA 0.626 4.965 4.340 -0.002 0.000 0.253 268 Q C -1.009 175.068 176.000 0.128 0.000 0.919 268 Q CA -1.066 54.832 55.803 0.159 0.000 0.908 268 Q CB 2.133 31.129 28.738 0.430 0.000 1.245 268 Q HN 0.512 nan 8.270 nan 0.000 0.437 269 V N 3.641 123.583 119.914 0.048 0.000 2.444 269 V HA 0.386 4.505 4.120 -0.002 0.000 0.294 269 V C -0.989 175.176 176.094 0.118 0.000 1.022 269 V CA -0.702 61.580 62.300 -0.030 0.000 0.850 269 V CB 1.522 33.199 31.823 -0.243 0.000 0.992 269 V HN 0.541 nan 8.190 nan 0.000 0.426 270 L N 4.498 125.731 121.223 0.016 0.000 2.381 270 L HA 0.703 5.041 4.340 -0.002 0.000 0.268 270 L C -0.529 176.247 176.870 -0.156 0.000 0.997 270 L CA -0.219 54.531 54.840 -0.151 0.000 0.818 270 L CB 2.051 43.611 42.059 -0.832 0.000 1.310 270 L HN 0.784 nan 8.230 nan 0.000 0.416 271 E N 5.170 125.301 120.200 -0.115 0.000 2.182 271 E HA 0.430 4.778 4.350 -0.002 0.000 0.258 271 E C -1.799 174.678 176.600 -0.206 0.000 0.879 271 E CA -0.545 55.795 56.400 -0.101 0.000 0.754 271 E CB 1.008 30.702 29.700 -0.010 0.000 1.162 271 E HN 0.729 nan 8.360 nan 0.000 0.419 272 L N 7.017 128.070 121.223 -0.284 0.000 2.265 272 L HA 0.510 4.848 4.340 -0.002 0.000 0.289 272 L C -2.094 174.627 176.870 -0.248 0.000 1.033 272 L CA -1.931 52.663 54.840 -0.411 0.000 0.814 272 L CB 1.130 42.863 42.059 -0.544 0.000 1.203 272 L HN 0.419 nan 8.230 nan 0.000 0.423 273 P HA 0.373 nan 4.420 nan 0.000 0.285 273 P C -1.077 176.192 177.300 -0.052 0.000 1.269 273 P CA -0.490 62.539 63.100 -0.118 0.000 0.844 273 P CB 1.300 33.016 31.700 0.027 0.000 1.094 274 F N -0.800 119.268 119.950 0.198 0.000 2.411 274 F HA 0.468 4.994 4.527 -0.002 0.000 0.324 274 F C 1.529 177.407 175.800 0.131 0.000 1.086 274 F CA -0.636 57.458 58.000 0.157 0.000 1.028 274 F CB -0.256 38.791 39.000 0.079 0.000 1.284 274 F HN 0.182 nan 8.300 nan 0.000 0.501 275 K N 0.503 121.090 120.400 0.311 0.000 2.366 275 K HA 0.442 4.760 4.320 -0.002 0.000 0.279 275 K C 0.788 177.488 176.600 0.165 0.000 1.098 275 K CA 0.574 56.977 56.287 0.194 0.000 1.087 275 K CB -1.145 31.438 32.500 0.138 0.000 0.901 275 K HN 1.208 nan 8.250 nan 0.000 0.463 276 G N 0.449 109.337 108.800 0.148 0.000 3.006 276 G HA2 -0.146 3.812 3.960 -0.002 0.000 0.195 276 G HA3 -0.146 3.812 3.960 -0.002 0.000 0.195 276 G C 0.602 175.575 174.900 0.122 0.000 1.034 276 G CA 0.617 45.791 45.100 0.124 0.000 0.807 276 G HN 0.873 nan 8.290 nan 0.000 0.469 277 D N 0.033 120.520 120.400 0.144 0.000 2.705 277 D HA -0.163 4.476 4.640 -0.002 0.000 0.187 277 D C 0.748 177.120 176.300 0.120 0.000 1.015 277 D CA 1.609 55.683 54.000 0.123 0.000 1.030 277 D CB -1.107 39.752 40.800 0.098 0.000 1.100 277 D HN 0.484 nan 8.370 nan 0.000 0.439 278 D N 0.270 120.746 120.400 0.127 0.000 2.312 278 D HA 0.086 4.725 4.640 -0.002 0.000 0.211 278 D C 1.040 177.422 176.300 0.136 0.000 0.964 278 D CA 0.803 54.871 54.000 0.115 0.000 0.877 278 D CB 0.602 41.465 40.800 0.103 0.000 0.924 278 D HN 0.448 nan 8.370 nan 0.000 0.515 279 I N 0.471 121.158 120.570 0.194 0.000 2.548 279 I HA 0.109 4.277 4.170 -0.002 0.000 0.287 279 I C 0.152 176.460 176.117 0.320 0.000 1.103 279 I CA -0.433 61.024 61.300 0.262 0.000 1.049 279 I CB 2.249 40.438 38.000 0.315 0.000 1.232 279 I HN -0.209 nan 8.210 nan 0.000 0.429 280 T N 2.832 117.494 114.554 0.179 0.000 2.804 280 T HA 0.756 5.104 4.350 -0.002 0.000 0.272 280 T C -0.489 174.187 174.700 -0.040 0.000 0.986 280 T CA -0.859 61.222 62.100 -0.031 0.000 0.999 280 T CB 2.378 71.245 68.868 -0.002 0.000 1.307 280 T HN 0.577 nan 8.240 nan 0.000 0.586 281 M N 1.921 121.426 119.600 -0.159 0.000 2.149 281 M HA 0.554 5.032 4.480 -0.002 0.000 0.273 281 M C -2.087 174.270 176.300 0.095 0.000 0.972 281 M CA -0.746 54.581 55.300 0.046 0.000 0.984 281 M CB 1.589 34.196 32.600 0.012 0.000 1.699 281 M HN 0.518 nan 8.290 nan 0.000 0.462 282 V N 5.532 125.573 119.914 0.212 0.000 2.465 282 V HA 0.442 4.561 4.120 -0.002 0.000 0.279 282 V C -0.601 175.676 176.094 0.306 0.000 1.045 282 V CA -0.624 61.802 62.300 0.211 0.000 0.938 282 V CB 1.423 33.384 31.823 0.230 0.000 0.986 282 V HN 0.688 nan 8.190 nan 0.000 0.467 283 L N 6.291 127.626 121.223 0.187 0.000 2.305 283 L HA 0.548 4.886 4.340 -0.002 0.000 0.284 283 L C -0.199 176.837 176.870 0.276 0.000 1.013 283 L CA -0.060 54.937 54.840 0.262 0.000 0.819 283 L CB 1.496 43.601 42.059 0.076 0.000 1.227 283 L HN 0.462 nan 8.230 nan 0.000 0.417 284 I N 4.927 125.712 120.570 0.360 0.000 2.306 284 I HA 0.235 4.403 4.170 -0.002 0.000 0.288 284 I C -0.654 175.625 176.117 0.270 0.000 1.036 284 I CA -0.676 60.749 61.300 0.209 0.000 1.221 284 I CB 1.357 39.450 38.000 0.155 0.000 1.385 284 I HN 0.316 nan 8.210 nan 0.000 0.472 285 L N 10.752 132.101 121.223 0.209 0.000 2.297 285 L HA 0.568 4.906 4.340 -0.002 0.000 0.277 285 L C -2.291 174.582 176.870 0.005 0.000 1.040 285 L CA -2.070 52.817 54.840 0.078 0.000 0.867 285 L CB 0.602 42.489 42.059 -0.287 0.000 1.244 285 L HN 0.239 nan 8.230 nan 0.000 0.433 286 P HA 0.035 nan 4.420 nan 0.000 0.270 286 P C -0.593 176.694 177.300 -0.021 0.000 1.223 286 P CA -0.358 62.747 63.100 0.010 0.000 0.785 286 P CB 0.835 32.564 31.700 0.048 0.000 0.923 287 K N 2.194 122.582 120.400 -0.019 0.000 2.344 287 K HA -0.022 4.296 4.320 -0.002 0.000 0.260 287 K C -1.436 175.140 176.600 -0.040 0.000 0.988 287 K CA -0.680 55.589 56.287 -0.031 0.000 0.909 287 K CB -0.360 32.130 32.500 -0.017 0.000 0.968 287 K HN 0.247 nan 8.250 nan 0.000 0.505 288 P HA -0.168 nan 4.420 nan 0.000 0.216 288 P C -0.034 177.233 177.300 -0.056 0.000 1.150 288 P CA 1.443 64.500 63.100 -0.072 0.000 0.837 288 P CB 0.201 31.845 31.700 -0.094 0.000 0.786 289 E N -0.173 120.003 120.200 -0.041 0.000 2.030 289 E HA 0.012 4.361 4.350 -0.002 0.000 0.189 289 E C 1.223 177.816 176.600 -0.011 0.000 0.974 289 E CA 0.472 56.854 56.400 -0.029 0.000 0.807 289 E CB -0.728 28.958 29.700 -0.024 0.000 0.771 289 E HN 0.008 nan 8.360 nan 0.000 0.451 290 K N 2.768 123.167 120.400 -0.001 0.000 2.320 290 K HA 0.043 4.362 4.320 -0.002 0.000 0.273 290 K C 0.180 176.794 176.600 0.023 0.000 1.146 290 K CA 0.455 56.752 56.287 0.016 0.000 1.144 290 K CB -1.030 31.486 32.500 0.027 0.000 0.878 290 K HN 0.302 nan 8.250 nan 0.000 0.458 291 S N 2.084 117.799 115.700 0.024 0.000 2.572 291 S HA 0.175 4.643 4.470 -0.002 0.000 0.279 291 S C 1.259 175.891 174.600 0.053 0.000 1.341 291 S CA -0.356 57.863 58.200 0.031 0.000 1.043 291 S CB 0.899 64.114 63.200 0.024 0.000 0.887 291 S HN 0.688 nan 8.310 nan 0.000 0.516 292 L N 3.317 124.578 121.223 0.064 0.000 2.021 292 L HA -0.109 4.230 4.340 -0.002 0.000 0.215 292 L C 2.742 179.671 176.870 0.098 0.000 1.074 292 L CA 2.542 57.440 54.840 0.095 0.000 0.760 292 L CB -1.601 40.517 42.059 0.099 0.000 0.889 292 L HN 1.003 nan 8.230 nan 0.000 0.433 293 A N -0.715 122.145 122.820 0.067 0.000 1.985 293 A HA -0.388 3.930 4.320 -0.002 0.000 0.223 293 A C 2.542 180.164 177.584 0.063 0.000 1.189 293 A CA 3.383 55.451 52.037 0.051 0.000 0.658 293 A CB -1.176 17.839 19.000 0.025 0.000 0.820 293 A HN 0.526 nan 8.150 nan 0.000 0.464 294 K N -0.977 119.463 120.400 0.067 0.000 1.973 294 K HA 0.004 4.322 4.320 -0.002 0.000 0.212 294 K C 2.069 178.733 176.600 0.108 0.000 1.047 294 K CA 1.784 58.115 56.287 0.073 0.000 0.937 294 K CB -1.652 30.888 32.500 0.066 0.000 0.721 294 K HN 0.488 nan 8.250 nan 0.000 0.440 295 V N 1.966 121.964 119.914 0.140 0.000 2.380 295 V HA -0.323 3.795 4.120 -0.002 0.000 0.251 295 V C 2.458 178.691 176.094 0.231 0.000 1.063 295 V CA 2.396 64.822 62.300 0.210 0.000 1.055 295 V CB -0.749 31.211 31.823 0.229 0.000 0.657 295 V HN 0.644 nan 8.190 nan 0.000 0.455 296 E N 0.913 121.236 120.200 0.205 0.000 2.012 296 E HA -0.176 4.173 4.350 -0.002 0.000 0.197 296 E C 1.924 178.614 176.600 0.150 0.000 1.007 296 E CA 1.651 58.191 56.400 0.234 0.000 0.816 296 E CB -0.264 29.543 29.700 0.178 0.000 0.762 296 E HN 0.619 nan 8.360 nan 0.000 0.451 297 K N 1.944 122.393 120.400 0.082 0.000 3.322 297 K HA -0.001 4.317 4.320 -0.002 0.000 0.291 297 K C 0.388 177.017 176.600 0.048 0.000 1.131 297 K CA 0.660 56.969 56.287 0.038 0.000 1.185 297 K CB -0.757 31.753 32.500 0.017 0.000 1.338 297 K HN 0.333 nan 8.250 nan 0.000 0.380 298 E N -0.195 120.050 120.200 0.075 0.000 3.733 298 E HA 0.086 4.435 4.350 -0.002 0.000 0.172 298 E C -1.549 175.090 176.600 0.066 0.000 1.032 298 E CA -0.174 56.264 56.400 0.064 0.000 1.532 298 E CB -0.267 29.482 29.700 0.082 0.000 1.149 298 E HN 0.284 nan 8.360 nan 0.000 0.373 299 L N 1.941 123.199 121.223 0.059 0.000 2.334 299 L HA 0.703 5.042 4.340 -0.002 0.000 0.276 299 L C -0.762 176.085 176.870 -0.038 0.000 1.014 299 L CA -0.039 54.820 54.840 0.032 0.000 0.815 299 L CB 1.866 44.008 42.059 0.139 0.000 1.268 299 L HN 0.270 nan 8.230 nan 0.000 0.428 300 T N 0.918 115.398 114.554 -0.123 0.000 3.032 300 T HA 0.448 4.797 4.350 -0.002 0.000 0.312 300 T C -2.401 172.193 174.700 -0.176 0.000 1.078 300 T CA -1.605 60.421 62.100 -0.123 0.000 1.028 300 T CB 1.746 70.541 68.868 -0.123 0.000 1.091 300 T HN 0.348 nan 8.240 nan 0.000 0.457 301 P HA -0.099 nan 4.420 nan 0.000 0.223 301 P C 0.795 177.993 177.300 -0.170 0.000 1.140 301 P CA 1.115 64.133 63.100 -0.136 0.000 0.783 301 P CB 0.125 31.776 31.700 -0.082 0.000 0.759 302 E N -1.464 118.630 120.200 -0.177 0.000 2.140 302 E HA -0.039 4.310 4.350 -0.002 0.000 0.191 302 E C 1.936 178.366 176.600 -0.283 0.000 0.973 302 E CA 0.239 56.532 56.400 -0.178 0.000 0.829 302 E CB -0.893 28.730 29.700 -0.128 0.000 0.781 302 E HN 0.007 nan 8.360 nan 0.000 0.466 303 V N 1.417 121.093 119.914 -0.397 0.000 2.307 303 V HA -0.186 3.933 4.120 -0.002 0.000 0.245 303 V C 2.120 177.566 176.094 -1.079 0.000 1.045 303 V CA 1.503 63.390 62.300 -0.689 0.000 1.024 303 V CB -0.101 31.301 31.823 -0.701 0.000 0.651 303 V HN 0.255 nan 8.190 nan 0.000 0.449 304 L N 0.396 121.103 121.223 -0.860 0.000 2.046 304 L HA -0.150 4.189 4.340 -0.002 0.000 0.208 304 L C 2.370 179.063 176.870 -0.296 0.000 1.077 304 L CA 2.561 57.035 54.840 -0.611 0.000 0.747 304 L CB -1.145 40.644 42.059 -0.450 0.000 0.896 304 L HN 0.454 nan 8.230 nan 0.000 0.432 305 Q N -0.006 119.639 119.800 -0.258 0.000 2.224 305 Q HA -0.220 4.118 4.340 -0.002 0.000 0.203 305 Q C 2.156 178.094 176.000 -0.103 0.000 0.970 305 Q CA 1.831 57.553 55.803 -0.135 0.000 0.865 305 Q CB -0.268 28.404 28.738 -0.111 0.000 0.922 305 Q HN 0.733 nan 8.270 nan 0.000 0.445 306 E N -1.436 118.650 120.200 -0.189 0.000 2.072 306 E HA -0.139 4.209 4.350 -0.002 0.000 0.190 306 E C 1.199 177.814 176.600 0.025 0.000 0.982 306 E CA 0.863 57.193 56.400 -0.117 0.000 0.803 306 E CB -0.109 29.473 29.700 -0.197 0.000 0.755 306 E HN 0.439 nan 8.360 nan 0.000 0.453 307 W N 1.075 122.344 121.300 -0.052 0.000 2.353 307 W HA -0.133 4.525 4.660 -0.002 0.000 0.319 307 W C 2.207 178.697 176.519 -0.048 0.000 1.207 307 W CA 0.539 57.854 57.345 -0.051 0.000 1.291 307 W CB -1.182 28.242 29.460 -0.059 0.000 1.159 307 W HN 0.143 nan 8.180 nan 0.000 0.478 308 L N 0.221 121.561 121.223 0.195 0.000 2.447 308 L HA -0.222 4.117 4.340 -0.002 0.000 0.225 308 L C 1.690 178.603 176.870 0.071 0.000 1.148 308 L CA 1.112 56.011 54.840 0.099 0.000 0.808 308 L CB -0.701 41.387 42.059 0.049 0.000 0.928 308 L HN -0.097 nan 8.230 nan 0.000 0.448 309 D N 0.249 120.690 120.400 0.069 0.000 2.144 309 D HA -0.094 4.544 4.640 -0.002 0.000 0.207 309 D C 2.318 178.648 176.300 0.049 0.000 0.970 309 D CA 1.396 55.424 54.000 0.048 0.000 0.853 309 D CB 0.103 40.921 40.800 0.031 0.000 1.007 309 D HN 0.307 nan 8.370 nan 0.000 0.469 310 E N 0.611 120.848 120.200 0.062 0.000 2.516 310 E HA 0.043 4.391 4.350 -0.002 0.000 0.199 310 E C 0.870 177.480 176.600 0.017 0.000 1.069 310 E CA 0.067 56.492 56.400 0.041 0.000 0.876 310 E CB -1.005 28.726 29.700 0.052 0.000 0.843 310 E HN 0.281 nan 8.360 nan 0.000 0.530 311 L N 1.305 122.545 121.223 0.029 0.000 2.462 311 L HA 0.472 4.811 4.340 -0.002 0.000 0.272 311 L C 0.755 177.640 176.870 0.026 0.000 1.166 311 L CA 0.247 55.098 54.840 0.018 0.000 0.880 311 L CB 0.590 42.675 42.059 0.043 0.000 1.142 311 L HN 0.510 nan 8.230 nan 0.000 0.473 312 E N 3.764 123.979 120.200 0.024 0.000 2.256 312 E HA 0.386 4.735 4.350 -0.002 0.000 0.267 312 E C -0.631 176.013 176.600 0.073 0.000 0.892 312 E CA -0.788 55.636 56.400 0.040 0.000 0.775 312 E CB 1.360 31.075 29.700 0.024 0.000 1.207 312 E HN 0.671 nan 8.360 nan 0.000 0.420 313 E N 0.239 120.475 120.200 0.060 0.000 2.414 313 E HA 0.384 4.732 4.350 -0.002 0.000 0.263 313 E C -0.353 176.285 176.600 0.063 0.000 1.000 313 E CA 0.355 56.791 56.400 0.060 0.000 0.914 313 E CB 0.764 30.482 29.700 0.031 0.000 0.948 313 E HN 0.516 nan 8.360 nan 0.000 0.444 314 M N 1.863 121.500 119.600 0.061 0.000 2.843 314 M HA 0.361 4.840 4.480 -0.002 0.000 0.273 314 M C -1.828 174.446 176.300 -0.043 0.000 1.286 314 M CA -0.616 54.719 55.300 0.058 0.000 0.807 314 M CB 2.096 34.812 32.600 0.193 0.000 1.684 314 M HN 0.296 nan 8.290 nan 0.000 0.458 315 M N 3.119 122.687 119.600 -0.052 0.000 2.167 315 M HA 0.619 5.098 4.480 -0.002 0.000 0.333 315 M C -1.674 174.556 176.300 -0.116 0.000 1.030 315 M CA -0.235 54.991 55.300 -0.124 0.000 0.963 315 M CB 0.417 32.962 32.600 -0.091 0.000 1.589 315 M HN 0.571 nan 8.290 nan 0.000 0.431 316 L N 2.602 123.723 121.223 -0.169 0.000 2.327 316 L HA 0.861 5.200 4.340 -0.002 0.000 0.258 316 L C -0.576 176.248 176.870 -0.076 0.000 1.024 316 L CA -1.114 53.660 54.840 -0.110 0.000 0.825 316 L CB 2.006 44.012 42.059 -0.089 0.000 1.386 316 L HN 0.267 nan 8.230 nan 0.000 0.417 317 V N 1.535 121.453 119.914 0.006 0.000 2.357 317 V HA 0.515 4.634 4.120 -0.002 0.000 0.284 317 V C -0.294 175.853 176.094 0.088 0.000 1.018 317 V CA -0.651 61.688 62.300 0.066 0.000 0.841 317 V CB 1.595 33.520 31.823 0.171 0.000 0.991 317 V HN 0.448 nan 8.190 nan 0.000 0.437 318 V N 4.594 124.512 119.914 0.008 0.000 2.435 318 V HA 0.524 4.643 4.120 -0.002 0.000 0.290 318 V C -0.383 175.705 176.094 -0.010 0.000 1.030 318 V CA -0.590 61.758 62.300 0.079 0.000 0.881 318 V CB 1.481 33.327 31.823 0.038 0.000 0.983 318 V HN 0.837 nan 8.190 nan 0.000 0.445 319 H N 6.185 125.418 119.070 0.272 0.000 2.547 319 H HA 0.679 5.233 4.556 -0.002 0.000 0.342 319 H C -0.448 175.034 175.328 0.257 0.000 1.048 319 H CA -0.481 55.710 56.048 0.237 0.000 1.204 319 H CB 2.140 31.974 29.762 0.121 0.000 1.493 319 H HN 0.738 nan 8.280 nan 0.000 0.511 320 M N 4.332 124.162 119.600 0.383 0.000 2.284 320 M HA 0.399 4.877 4.480 -0.002 0.000 0.281 320 M C -3.290 173.249 176.300 0.399 0.000 1.083 320 M CA -1.784 53.732 55.300 0.361 0.000 0.965 320 M CB 3.584 36.350 32.600 0.276 0.000 1.717 320 M HN 0.135 nan 8.290 nan 0.000 0.479 321 P HA 0.094 nan 4.420 nan 0.000 0.269 321 P C -1.472 176.106 177.300 0.463 0.000 1.209 321 P CA 0.015 63.393 63.100 0.462 0.000 0.776 321 P CB 0.644 32.617 31.700 0.455 0.000 0.876 322 R N 3.280 123.953 120.500 0.290 0.000 2.229 322 R HA 0.528 4.867 4.340 -0.002 0.000 0.328 322 R C -0.556 175.841 176.300 0.160 0.000 1.009 322 R CA -0.350 55.816 56.100 0.111 0.000 0.864 322 R CB -0.060 30.299 30.300 0.098 0.000 1.085 322 R HN 0.514 nan 8.270 nan 0.000 0.453 323 F N 0.928 120.889 119.950 0.018 0.000 2.789 323 F HA 0.591 5.116 4.527 -0.002 0.000 0.319 323 F C -1.625 174.148 175.800 -0.045 0.000 1.168 323 F CA -1.493 56.489 58.000 -0.029 0.000 0.934 323 F CB 1.060 40.022 39.000 -0.064 0.000 1.375 323 F HN 0.458 nan 8.300 nan 0.000 0.480 324 R N 1.346 121.978 120.500 0.220 0.000 2.604 324 R HA 0.827 5.166 4.340 -0.002 0.000 0.281 324 R C -2.249 174.101 176.300 0.084 0.000 1.020 324 R CA -0.802 55.370 56.100 0.120 0.000 0.899 324 R CB 2.146 32.538 30.300 0.154 0.000 1.205 324 R HN 0.826 nan 8.270 nan 0.000 0.450 325 I N 1.983 122.531 120.570 -0.038 0.000 2.465 325 I HA 0.325 4.494 4.170 -0.002 0.000 0.291 325 I C -0.443 175.459 176.117 -0.358 0.000 1.014 325 I CA -0.873 60.345 61.300 -0.136 0.000 1.093 325 I CB 2.399 40.372 38.000 -0.045 0.000 1.267 325 I HN 0.627 nan 8.210 nan 0.000 0.431 326 E N 4.728 124.713 120.200 -0.358 0.000 2.182 326 E HA 0.308 4.657 4.350 -0.002 0.000 0.258 326 E C -1.473 175.083 176.600 -0.075 0.000 0.879 326 E CA -0.601 55.549 56.400 -0.415 0.000 0.754 326 E CB 2.156 31.558 29.700 -0.497 0.000 1.162 326 E HN 0.356 nan 8.360 nan 0.000 0.419 327 D N 2.213 122.670 120.400 0.095 0.000 2.471 327 D HA 0.411 5.050 4.640 -0.002 0.000 0.245 327 D C -0.824 175.691 176.300 0.357 0.000 1.116 327 D CA -0.347 53.791 54.000 0.231 0.000 0.853 327 D CB 1.605 42.592 40.800 0.311 0.000 1.123 327 D HN 0.548 nan 8.370 nan 0.000 0.540 328 G N 1.945 110.969 108.800 0.373 0.000 2.591 328 G HA2 0.734 4.693 3.960 -0.002 0.000 0.306 328 G HA3 0.734 4.693 3.960 -0.002 0.000 0.306 328 G C -1.098 174.141 174.900 0.565 0.000 1.334 328 G CA -0.723 44.586 45.100 0.347 0.000 0.981 328 G HN 0.330 nan 8.290 nan 0.000 0.491 329 F N -0.909 119.176 119.950 0.225 0.000 2.978 329 F HA 0.753 5.278 4.527 -0.003 0.000 0.324 329 F C -0.692 175.387 175.800 0.465 0.000 1.157 329 F CA -1.676 56.484 58.000 0.267 0.000 0.879 329 F CB 1.207 40.328 39.000 0.201 0.000 1.364 329 F HN 0.514 nan 8.300 nan 0.000 0.465 330 S N 0.736 116.751 115.700 0.527 0.000 2.457 330 S HA 0.566 5.035 4.470 -0.002 0.000 0.289 330 S C 0.527 175.272 174.600 0.241 0.000 1.163 330 S CA -0.700 57.709 58.200 0.349 0.000 1.078 330 S CB 0.475 63.853 63.200 0.296 0.000 0.987 330 S HN 0.697 nan 8.310 nan 0.000 0.482 331 L N 4.568 125.871 121.223 0.133 0.000 2.270 331 L HA 0.076 4.414 4.340 -0.002 0.000 0.210 331 L C 2.962 179.895 176.870 0.104 0.000 1.104 331 L CA 0.902 55.888 54.840 0.243 0.000 0.804 331 L CB -1.117 41.105 42.059 0.271 0.000 0.937 331 L HN 0.749 nan 8.230 nan 0.000 0.450 332 K N 1.145 121.502 120.400 -0.072 0.000 2.013 332 K HA -0.349 3.969 4.320 -0.002 0.000 0.225 332 K C 2.202 178.493 176.600 -0.515 0.000 1.056 332 K CA 2.915 58.894 56.287 -0.513 0.000 0.971 332 K CB -1.794 30.447 32.500 -0.433 0.000 0.731 332 K HN 0.479 nan 8.250 nan 0.000 0.450 333 E N 0.912 120.970 120.200 -0.237 0.000 2.033 333 E HA -0.313 4.035 4.350 -0.002 0.000 0.199 333 E C 2.294 178.820 176.600 -0.123 0.000 1.011 333 E CA 1.849 58.154 56.400 -0.158 0.000 0.815 333 E CB -0.789 28.878 29.700 -0.055 0.000 0.755 333 E HN 0.721 nan 8.360 nan 0.000 0.451 334 Q N -0.000 119.771 119.800 -0.048 0.000 2.014 334 Q HA -0.117 4.221 4.340 -0.002 0.000 0.207 334 Q C 2.638 178.622 176.000 -0.028 0.000 0.993 334 Q CA 1.605 57.372 55.803 -0.061 0.000 0.850 334 Q CB -0.612 28.093 28.738 -0.054 0.000 0.916 334 Q HN 0.644 nan 8.270 nan 0.000 0.417 335 L N 0.718 121.991 121.223 0.083 0.000 1.971 335 L HA -0.309 4.029 4.340 -0.002 0.000 0.215 335 L C 2.687 179.616 176.870 0.099 0.000 1.072 335 L CA 1.606 56.535 54.840 0.148 0.000 0.758 335 L CB -0.704 41.495 42.059 0.234 0.000 0.889 335 L HN 0.352 nan 8.230 nan 0.000 0.433 336 Q N 0.059 119.884 119.800 0.041 0.000 2.105 336 Q HA -0.320 4.019 4.340 -0.002 0.000 0.217 336 Q C 1.538 177.554 176.000 0.026 0.000 1.029 336 Q CA 2.361 58.205 55.803 0.068 0.000 0.899 336 Q CB -0.495 28.206 28.738 -0.063 0.000 1.000 336 Q HN 0.687 nan 8.270 nan 0.000 0.414 337 D N -0.676 119.687 120.400 -0.063 0.000 2.363 337 D HA -0.117 4.522 4.640 -0.002 0.000 0.226 337 D C 0.972 177.179 176.300 -0.155 0.000 1.020 337 D CA 0.607 54.536 54.000 -0.118 0.000 0.892 337 D CB -0.167 40.518 40.800 -0.191 0.000 0.900 337 D HN 0.432 nan 8.370 nan 0.000 0.531 338 M N -0.398 119.155 119.600 -0.078 0.000 2.475 338 M HA 0.439 4.918 4.480 -0.002 0.000 0.283 338 M C 0.942 177.257 176.300 0.026 0.000 1.165 338 M CA -0.111 55.175 55.300 -0.023 0.000 0.976 338 M CB 1.108 33.748 32.600 0.066 0.000 1.428 338 M HN 0.151 nan 8.290 nan 0.000 0.495 339 G N 1.131 109.948 108.800 0.028 0.000 2.541 339 G HA2 -0.165 3.793 3.960 -0.002 0.000 0.208 339 G HA3 -0.165 3.793 3.960 -0.002 0.000 0.208 339 G C -0.393 174.565 174.900 0.096 0.000 1.191 339 G CA -0.664 44.465 45.100 0.048 0.000 1.217 339 G HN 0.256 nan 8.290 nan 0.000 0.566 340 L N -0.138 121.151 121.223 0.109 0.000 3.852 340 L HA -0.127 4.212 4.340 -0.002 0.000 0.543 340 L C 1.762 178.797 176.870 0.275 0.000 1.068 340 L CA 1.947 56.894 54.840 0.179 0.000 0.810 340 L CB -0.756 41.477 42.059 0.290 0.000 1.103 340 L HN 1.914 nan 8.230 nan 0.000 0.743 341 V N -2.809 117.205 119.914 0.167 0.000 3.090 341 V HA 0.137 4.256 4.120 -0.002 0.000 0.237 341 V C 1.737 177.922 176.094 0.151 0.000 1.209 341 V CA 0.681 63.103 62.300 0.203 0.000 1.209 341 V CB -0.170 31.719 31.823 0.110 0.000 0.971 341 V HN 0.507 nan 8.190 nan 0.000 0.477 342 D N 0.994 121.421 120.400 0.046 0.000 2.092 342 D HA -0.177 4.462 4.640 -0.002 0.000 0.193 342 D C 2.118 178.387 176.300 -0.051 0.000 0.994 342 D CA 2.114 56.114 54.000 -0.000 0.000 0.828 342 D CB -0.037 40.751 40.800 -0.020 0.000 0.963 342 D HN 0.381 nan 8.370 nan 0.000 0.450 343 L N 0.428 121.535 121.223 -0.193 0.000 2.197 343 L HA -0.216 4.122 4.340 -0.002 0.000 0.215 343 L C 1.652 178.330 176.870 -0.320 0.000 1.095 343 L CA 1.531 56.160 54.840 -0.352 0.000 0.764 343 L CB -0.412 41.286 42.059 -0.602 0.000 0.897 343 L HN -0.041 nan 8.230 nan 0.000 0.436 344 F N -2.129 117.904 119.950 0.138 0.000 2.727 344 F HA 0.284 4.810 4.527 -0.003 0.000 0.302 344 F C 1.388 177.319 175.800 0.218 0.000 1.097 344 F CA 0.019 58.131 58.000 0.186 0.000 1.330 344 F CB -0.501 38.572 39.000 0.123 0.000 1.084 344 F HN -0.032 nan 8.300 nan 0.000 0.578 345 S N 0.666 116.488 115.700 0.203 0.000 2.489 345 S HA 0.348 4.817 4.470 -0.002 0.000 0.291 345 S C -1.860 172.562 174.600 -0.296 0.000 1.151 345 S CA -1.565 56.620 58.200 -0.024 0.000 1.082 345 S CB 1.446 64.639 63.200 -0.011 0.000 1.019 345 S HN -0.176 nan 8.310 nan 0.000 0.492 346 P HA 0.137 nan 4.420 nan 0.000 0.221 346 P C 1.445 178.545 177.300 -0.333 0.000 1.155 346 P CA 1.162 63.725 63.100 -0.894 0.000 0.812 346 P CB 0.072 31.177 31.700 -0.992 0.000 0.801 347 E N 0.842 120.905 120.200 -0.229 0.000 2.004 347 E HA -0.003 4.346 4.350 -0.002 0.000 0.192 347 E C 1.727 178.278 176.600 -0.082 0.000 0.987 347 E CA 1.653 57.979 56.400 -0.122 0.000 0.822 347 E CB -1.834 27.811 29.700 -0.090 0.000 0.779 347 E HN 0.258 nan 8.360 nan 0.000 0.458 348 K N 1.034 121.396 120.400 -0.064 0.000 2.518 348 K HA 0.578 4.897 4.320 -0.002 0.000 0.244 348 K C 0.290 176.871 176.600 -0.031 0.000 1.232 348 K CA 0.366 56.632 56.287 -0.036 0.000 1.189 348 K CB -0.166 32.322 32.500 -0.020 0.000 1.737 348 K HN 0.430 nan 8.250 nan 0.000 0.333 349 S N -0.043 115.636 115.700 -0.035 0.000 2.795 349 S HA 0.863 5.331 4.470 -0.002 0.000 0.308 349 S C -0.550 174.036 174.600 -0.024 0.000 1.098 349 S CA 0.413 58.600 58.200 -0.022 0.000 0.934 349 S CB 1.258 64.465 63.200 0.010 0.000 1.300 349 S HN 1.221 nan 8.310 nan 0.000 0.566 350 K N 1.328 121.709 120.400 -0.031 0.000 2.429 350 K HA 0.376 4.695 4.320 -0.002 0.000 0.286 350 K C -1.239 175.325 176.600 -0.060 0.000 1.592 350 K CA -0.236 56.029 56.287 -0.037 0.000 0.894 350 K CB -1.078 31.404 32.500 -0.030 0.000 1.417 350 K HN 0.570 nan 8.250 nan 0.000 0.457 351 L N 2.229 123.413 121.223 -0.065 0.000 2.956 351 L HA 0.249 4.587 4.340 -0.002 0.000 0.232 351 L C -1.213 175.594 176.870 -0.106 0.000 1.291 351 L CA -1.816 52.958 54.840 -0.110 0.000 1.122 351 L CB 1.158 43.142 42.059 -0.125 0.000 1.461 351 L HN 0.423 nan 8.230 nan 0.000 0.470 352 P HA -0.133 nan 4.420 nan 0.000 0.217 352 P C 1.611 178.861 177.300 -0.084 0.000 1.150 352 P CA 1.054 64.115 63.100 -0.065 0.000 0.832 352 P CB 0.187 31.862 31.700 -0.043 0.000 0.787 353 G N -0.617 108.112 108.800 -0.118 0.000 2.601 353 G HA2 -0.040 3.919 3.960 -0.002 0.000 0.214 353 G HA3 -0.040 3.919 3.960 -0.002 0.000 0.214 353 G C 0.746 175.524 174.900 -0.203 0.000 1.132 353 G CA 0.542 45.559 45.100 -0.137 0.000 0.761 353 G HN 0.308 nan 8.290 nan 0.000 0.550 361 D N 0.330 120.739 120.400 0.015 0.000 2.312 361 D HA 0.497 5.136 4.640 -0.002 0.000 0.252 361 D C -1.237 175.115 176.300 0.088 0.000 1.150 361 D CA -0.068 53.956 54.000 0.041 0.000 0.870 361 D CB 0.790 41.612 40.800 0.038 0.000 1.153 361 D HN 0.399 nan 8.370 nan 0.000 0.457 362 L N 5.198 126.487 121.223 0.110 0.000 2.526 362 L HA 0.517 4.856 4.340 -0.002 0.000 0.263 362 L C -1.922 175.049 176.870 0.169 0.000 0.943 362 L CA -0.628 54.286 54.840 0.123 0.000 0.859 362 L CB 1.312 43.391 42.059 0.034 0.000 1.313 362 L HN 0.525 nan 8.230 nan 0.000 0.406 363 Y N 2.659 122.912 120.300 -0.078 0.000 2.829 363 Y HA 0.860 5.409 4.550 -0.002 0.000 0.322 363 Y C -1.596 174.240 175.900 -0.108 0.000 1.357 363 Y CA -1.649 56.392 58.100 -0.098 0.000 1.081 363 Y CB 0.906 39.331 38.460 -0.058 0.000 1.339 363 Y HN 0.182 nan 8.280 nan 0.000 0.469 364 V N 1.948 121.725 119.914 -0.228 0.000 2.370 364 V HA 0.295 4.413 4.120 -0.002 0.000 0.283 364 V C 0.333 176.353 176.094 -0.124 0.000 1.023 364 V CA -0.010 62.136 62.300 -0.256 0.000 0.857 364 V CB 0.802 32.533 31.823 -0.153 0.000 0.985 364 V HN 0.994 nan 8.190 nan 0.000 0.443 365 S N 2.796 118.304 115.700 -0.321 0.000 2.335 365 S HA 0.095 4.564 4.470 -0.002 0.000 0.217 365 S C 0.732 175.317 174.600 -0.026 0.000 1.032 365 S CA 1.322 59.425 58.200 -0.162 0.000 0.985 365 S CB -0.066 62.974 63.200 -0.267 0.000 0.896 365 S HN 1.026 nan 8.310 nan 0.000 0.445 366 D N -0.712 119.607 120.400 -0.135 0.000 2.736 366 D HA 0.717 5.356 4.640 -0.002 0.000 0.223 366 D C -1.232 174.812 176.300 -0.426 0.000 1.231 366 D CA -0.107 53.720 54.000 -0.289 0.000 0.818 366 D CB 1.462 41.990 40.800 -0.454 0.000 1.587 366 D HN 0.489 nan 8.370 nan 0.000 0.463 367 A N 0.826 123.429 122.820 -0.362 0.000 2.331 367 A HA 0.854 5.173 4.320 -0.002 0.000 0.320 367 A C -1.378 176.010 177.584 -0.328 0.000 1.138 367 A CA -0.443 51.480 52.037 -0.189 0.000 0.790 367 A CB 0.507 19.673 19.000 0.277 0.000 1.206 367 A HN 0.591 nan 8.150 nan 0.000 0.470 368 F N 0.825 120.873 119.950 0.162 0.000 2.495 368 F HA 0.566 5.092 4.527 -0.002 0.000 0.327 368 F C 0.186 176.059 175.800 0.123 0.000 1.103 368 F CA -0.324 57.740 58.000 0.108 0.000 0.949 368 F CB 2.061 41.129 39.000 0.113 0.000 1.142 368 F HN 0.743 nan 8.300 nan 0.000 0.457 369 H N 1.657 120.768 119.070 0.068 0.000 2.637 369 H HA 0.639 5.194 4.556 -0.002 0.000 0.363 369 H C -1.450 173.862 175.328 -0.026 0.000 1.131 369 H CA -1.053 54.973 56.048 -0.036 0.000 1.183 369 H CB 1.800 31.419 29.762 -0.238 0.000 1.637 369 H HN 0.451 nan 8.280 nan 0.000 0.531 370 K N 3.395 123.560 120.400 -0.391 0.000 2.731 370 K HA 0.655 4.974 4.320 -0.002 0.000 0.257 370 K C -1.839 174.682 176.600 -0.132 0.000 1.032 370 K CA -0.238 55.977 56.287 -0.120 0.000 0.983 370 K CB 0.833 33.349 32.500 0.027 0.000 1.248 370 K HN 0.656 nan 8.250 nan 0.000 0.484 371 A N 3.809 126.625 122.820 -0.007 0.000 2.295 371 A HA 0.787 5.105 4.320 -0.002 0.000 0.318 371 A C -1.308 176.549 177.584 0.454 0.000 1.134 371 A CA -0.573 51.588 52.037 0.207 0.000 0.827 371 A CB 0.394 19.461 19.000 0.112 0.000 1.136 371 A HN 0.710 nan 8.150 nan 0.000 0.493 372 F N 2.209 122.418 119.950 0.433 0.000 2.745 372 F HA 0.488 5.013 4.527 -0.002 0.000 0.343 372 F C -1.058 174.745 175.800 0.004 0.000 1.196 372 F CA -0.882 57.299 58.000 0.302 0.000 1.021 372 F CB 1.294 40.530 39.000 0.394 0.000 1.297 372 F HN 0.559 nan 8.300 nan 0.000 0.486 373 L N 5.188 126.368 121.223 -0.072 0.000 2.322 373 L HA 0.580 4.919 4.340 -0.002 0.000 0.279 373 L C -1.075 175.661 176.870 -0.224 0.000 1.036 373 L CA -0.207 54.257 54.840 -0.626 0.000 0.807 373 L CB 1.697 42.786 42.059 -1.617 0.000 1.226 373 L HN 0.649 nan 8.230 nan 0.000 0.433 374 E N 3.094 123.063 120.200 -0.385 0.000 2.218 374 E HA 0.637 4.986 4.350 -0.002 0.000 0.263 374 E C -1.963 174.330 176.600 -0.512 0.000 0.879 374 E CA -0.501 55.713 56.400 -0.309 0.000 0.762 374 E CB 1.671 31.210 29.700 -0.269 0.000 1.166 374 E HN 0.452 nan 8.360 nan 0.000 0.415 375 V N 5.399 124.969 119.914 -0.574 0.000 2.588 375 V HA 0.699 4.818 4.120 -0.002 0.000 0.304 375 V C -0.739 175.131 176.094 -0.372 0.000 1.042 375 V CA -0.594 61.331 62.300 -0.624 0.000 0.877 375 V CB 1.502 32.652 31.823 -1.122 0.000 0.996 375 V HN 0.912 nan 8.190 nan 0.000 0.425 376 N N 2.671 121.245 118.700 -0.209 0.000 3.533 376 N HA 0.233 4.972 4.740 -0.002 0.000 0.229 376 N C -0.888 174.667 175.510 0.074 0.000 1.418 376 N CA -0.924 52.091 53.050 -0.057 0.000 0.880 376 N CB 0.955 39.401 38.487 -0.069 0.000 1.415 376 N HN 0.398 nan 8.380 nan 0.000 0.491 377 E N -0.473 119.814 120.200 0.145 0.000 2.683 377 E HA 0.326 4.675 4.350 -0.002 0.000 0.266 377 E C 0.254 177.014 176.600 0.267 0.000 1.434 377 E CA 0.640 57.226 56.400 0.310 0.000 1.137 377 E CB -0.230 29.668 29.700 0.330 0.000 0.992 377 E HN 0.800 nan 8.360 nan 0.000 0.607 378 E N 0.306 120.687 120.200 0.302 0.000 2.585 378 E HA 0.301 4.650 4.350 -0.002 0.000 0.252 378 E C 0.437 177.087 176.600 0.082 0.000 0.981 378 E CA 0.475 56.996 56.400 0.201 0.000 0.943 378 E CB -0.447 29.362 29.700 0.181 0.000 0.923 378 E HN 0.530 nan 8.360 nan 0.000 0.486 383 A N 0.191 123.054 122.820 0.071 0.000 2.312 383 A HA 0.912 5.230 4.320 -0.002 0.000 0.328 383 A C 0.500 178.111 177.584 0.044 0.000 1.158 383 A CA 0.183 52.253 52.037 0.054 0.000 0.821 383 A CB 0.775 19.796 19.000 0.035 0.000 1.170 383 A HN 2.540 nan 8.150 nan 0.000 0.490 384 A N 0.502 123.341 122.820 0.033 0.000 2.246 384 A HA 0.654 4.973 4.320 -0.002 0.000 0.291 384 A C 1.129 178.718 177.584 0.008 0.000 1.103 384 A CA 0.305 52.355 52.037 0.022 0.000 0.844 384 A CB 0.383 19.390 19.000 0.011 0.000 1.136 384 A HN 1.879 nan 8.150 nan 0.000 0.500 385 S N -2.384 113.318 115.700 0.003 0.000 2.769 385 S HA 0.057 4.525 4.470 -0.002 0.000 0.258 385 S C 0.933 175.528 174.600 -0.009 0.000 1.080 385 S CA 0.840 59.039 58.200 -0.002 0.000 0.943 385 S CB -0.151 63.051 63.200 0.004 0.000 0.893 385 S HN 0.869 nan 8.310 nan 0.000 0.490 386 T N 2.019 116.567 114.554 -0.009 0.000 3.284 386 T HA 0.634 4.983 4.350 -0.002 0.000 0.249 386 T C 0.050 174.734 174.700 -0.028 0.000 0.944 386 T CA 0.176 62.267 62.100 -0.015 0.000 0.919 386 T CB -0.699 68.163 68.868 -0.009 0.000 1.089 386 T HN 0.518 nan 8.240 nan 0.000 0.576 387 A N 0.885 123.684 122.820 -0.035 0.000 2.937 387 A HA 0.604 4.922 4.320 -0.002 0.000 0.338 387 A C 0.961 178.510 177.584 -0.058 0.000 1.273 387 A CA -0.494 51.509 52.037 -0.056 0.000 0.937 387 A CB 0.256 19.218 19.000 -0.063 0.000 1.133 387 A HN 0.479 nan 8.150 nan 0.000 0.491 388 V N 2.784 122.666 119.914 -0.052 0.000 3.645 388 V HA -0.034 4.084 4.120 -0.002 0.000 0.275 388 V C 1.894 177.955 176.094 -0.055 0.000 1.356 388 V CA 1.484 63.756 62.300 -0.047 0.000 1.051 388 V CB 0.368 32.170 31.823 -0.034 0.000 0.828 388 V HN 0.896 nan 8.190 nan 0.000 0.441 389 V N 0.821 120.696 119.914 -0.064 0.000 2.636 389 V HA -0.219 3.900 4.120 -0.002 0.000 0.258 389 V C 1.897 177.944 176.094 -0.079 0.000 1.092 389 V CA 2.693 64.950 62.300 -0.071 0.000 1.110 389 V CB -1.245 30.525 31.823 -0.088 0.000 0.685 389 V HN 0.714 nan 8.190 nan 0.000 0.481 390 I N -2.360 118.157 120.570 -0.089 0.000 4.018 390 I HA 0.608 4.776 4.170 -0.002 0.000 0.337 390 I C 2.102 178.178 176.117 -0.068 0.000 1.327 390 I CA 0.599 61.844 61.300 -0.091 0.000 1.100 390 I CB -0.125 37.800 38.000 -0.125 0.000 1.025 390 I HN 0.112 nan 8.210 nan 0.000 0.396 391 A N 1.669 124.454 122.820 -0.057 0.000 2.123 391 A HA 0.361 4.679 4.320 -0.002 0.000 0.214 391 A C 1.629 179.193 177.584 -0.034 0.000 1.152 391 A CA 0.542 52.553 52.037 -0.043 0.000 0.728 391 A CB -0.953 18.023 19.000 -0.039 0.000 0.814 391 A HN 0.492 nan 8.150 nan 0.000 0.464 392 G N -0.426 108.353 108.800 -0.036 0.000 2.305 392 G HA2 0.254 4.212 3.960 -0.002 0.000 0.243 392 G HA3 0.254 4.212 3.960 -0.002 0.000 0.243 392 G C 0.455 175.340 174.900 -0.025 0.000 1.288 392 G CA -0.460 44.623 45.100 -0.028 0.000 0.901 392 G HN 0.462 nan 8.290 nan 0.000 0.516 393 R N 1.132 121.621 120.500 -0.019 0.000 2.466 393 R HA 0.118 4.457 4.340 -0.002 0.000 0.279 393 R C 1.456 177.748 176.300 -0.013 0.000 0.976 393 R CA 0.058 56.149 56.100 -0.015 0.000 1.081 393 R CB 0.249 30.541 30.300 -0.013 0.000 1.215 393 R HN 0.623 nan 8.270 nan 0.000 0.546 394 S N -0.081 115.611 115.700 -0.014 0.000 2.661 394 S HA 0.236 4.705 4.470 -0.002 0.000 0.265 394 S C 0.163 174.757 174.600 -0.011 0.000 1.225 394 S CA -0.846 57.347 58.200 -0.011 0.000 0.986 394 S CB 0.944 64.137 63.200 -0.011 0.000 1.008 394 S HN 0.136 nan 8.310 nan 0.000 0.565 395 L N 0.854 122.072 121.223 -0.008 0.000 2.439 395 L HA 0.542 4.881 4.340 -0.002 0.000 0.259 395 L C -0.114 176.751 176.870 -0.009 0.000 1.129 395 L CA -0.148 54.688 54.840 -0.007 0.000 0.803 395 L CB 0.850 42.906 42.059 -0.004 0.000 1.161 395 L HN 0.946 nan 8.230 nan 0.000 0.462 396 N N 2.396 121.092 118.700 -0.008 0.000 2.577 396 N HA 0.409 5.147 4.740 -0.002 0.000 0.275 396 N C -2.201 173.307 175.510 -0.003 0.000 1.091 396 N CA -1.194 51.851 53.050 -0.009 0.000 0.843 396 N CB 1.571 40.048 38.487 -0.016 0.000 1.295 396 N HN 0.526 nan 8.380 nan 0.000 0.530 397 P HA 0.092 nan 4.420 nan 0.000 0.249 397 P C -0.153 177.153 177.300 0.010 0.000 1.229 397 P CA 0.421 63.524 63.100 0.005 0.000 0.788 397 P CB 0.443 32.146 31.700 0.004 0.000 1.072 398 N N -0.215 118.490 118.700 0.008 0.000 2.282 398 N HA 0.021 4.760 4.740 -0.002 0.000 0.185 398 N C 0.934 176.454 175.510 0.016 0.000 1.099 398 N CA -0.014 53.046 53.050 0.017 0.000 0.878 398 N CB -0.047 38.448 38.487 0.014 0.000 0.993 398 N HN 0.190 nan 8.380 nan 0.000 0.481 399 R N 1.606 122.107 120.500 0.002 0.000 2.522 399 R HA 0.126 4.465 4.340 -0.002 0.000 0.284 399 R C -0.754 175.548 176.300 0.003 0.000 1.032 399 R CA 0.167 56.262 56.100 -0.008 0.000 1.049 399 R CB 0.468 30.761 30.300 -0.012 0.000 0.956 399 R HN -0.157 nan 8.270 nan 0.000 0.422 400 V N 4.450 124.356 119.914 -0.014 0.000 2.555 400 V HA 0.362 4.480 4.120 -0.002 0.000 0.302 400 V C -0.637 175.428 176.094 -0.049 0.000 1.038 400 V CA -0.378 61.911 62.300 -0.019 0.000 0.887 400 V CB 2.292 34.112 31.823 -0.005 0.000 0.991 400 V HN 0.886 nan 8.190 nan 0.000 0.434 401 T N 7.363 121.918 114.554 0.001 0.000 2.845 401 T HA 0.427 4.775 4.350 -0.002 0.000 0.288 401 T C -0.774 173.962 174.700 0.059 0.000 0.980 401 T CA 0.172 62.310 62.100 0.064 0.000 1.071 401 T CB 0.745 69.671 68.868 0.097 0.000 0.941 401 T HN 0.564 nan 8.240 nan 0.000 0.487 402 F N 3.550 123.485 119.950 -0.024 0.000 2.359 402 F HA 0.443 4.969 4.527 -0.003 0.000 0.370 402 F C 0.194 176.036 175.800 0.070 0.000 1.077 402 F CA -0.894 57.075 58.000 -0.052 0.000 1.136 402 F CB 0.415 39.333 39.000 -0.136 0.000 1.387 402 F HN 0.306 nan 8.300 nan 0.000 0.468 403 K N 4.875 125.140 120.400 -0.225 0.000 2.244 403 K HA 0.522 4.841 4.320 -0.002 0.000 0.263 403 K C -0.255 176.158 176.600 -0.312 0.000 1.103 403 K CA -0.444 55.741 56.287 -0.169 0.000 0.966 403 K CB 0.689 33.017 32.500 -0.286 0.000 1.429 403 K HN 0.622 nan 8.250 nan 0.000 0.434 404 A N 4.073 126.745 122.820 -0.247 0.000 2.671 404 A HA 0.099 4.418 4.320 -0.002 0.000 0.306 404 A C -0.178 177.424 177.584 0.031 0.000 1.473 404 A CA -0.421 51.464 52.037 -0.253 0.000 1.155 404 A CB -0.376 18.421 19.000 -0.338 0.000 1.123 404 A HN 0.802 nan 8.150 nan 0.000 0.545 405 N N 1.835 120.434 118.700 -0.167 0.000 2.598 405 N HA 0.199 4.938 4.740 -0.002 0.000 0.295 405 N C -0.597 174.252 175.510 -1.102 0.000 1.729 405 N CA -0.365 52.367 53.050 -0.529 0.000 0.877 405 N CB 0.226 38.556 38.487 -0.262 0.000 1.405 405 N HN 0.563 nan 8.380 nan 0.000 0.491 406 R N -0.399 119.629 120.500 -0.787 0.000 2.629 406 R HA 0.427 4.765 4.340 -0.002 0.000 0.266 406 R C -3.126 173.194 176.300 0.034 0.000 1.051 406 R CA -1.607 54.222 56.100 -0.452 0.000 0.895 406 R CB 1.719 31.925 30.300 -0.157 0.000 1.246 406 R HN -0.033 nan 8.270 nan 0.000 0.459 407 P HA -0.091 nan 4.420 nan 0.000 0.263 407 P C -1.180 176.242 177.300 0.203 0.000 1.168 407 P CA 0.626 63.823 63.100 0.161 0.000 0.759 407 P CB 0.205 31.960 31.700 0.093 0.000 0.782 408 F N 0.445 120.475 119.950 0.134 0.000 2.631 408 F HA 0.566 5.091 4.527 -0.003 0.000 0.308 408 F C -1.265 174.609 175.800 0.123 0.000 1.097 408 F CA -1.570 56.507 58.000 0.129 0.000 0.952 408 F CB 0.638 39.738 39.000 0.166 0.000 1.307 408 F HN -0.028 nan 8.300 nan 0.000 0.450 409 L N 2.007 123.424 121.223 0.324 0.000 2.466 409 L HA 0.709 5.048 4.340 -0.002 0.000 0.257 409 L C -0.503 176.521 176.870 0.257 0.000 1.189 409 L CA -1.137 53.795 54.840 0.154 0.000 0.813 409 L CB 1.373 43.538 42.059 0.177 0.000 1.118 409 L HN 0.590 nan 8.230 nan 0.000 0.471 410 V N 1.194 121.082 119.914 -0.043 0.000 2.760 410 V HA 0.473 4.592 4.120 -0.002 0.000 0.309 410 V C -1.119 174.843 176.094 -0.221 0.000 1.077 410 V CA -0.483 61.884 62.300 0.111 0.000 0.910 410 V CB 2.034 33.990 31.823 0.223 0.000 1.008 410 V HN 0.387 nan 8.190 nan 0.000 0.424 411 F N 4.360 124.454 119.950 0.240 0.000 2.557 411 F HA 0.626 5.152 4.527 -0.002 0.000 0.316 411 F C -0.178 175.763 175.800 0.235 0.000 1.141 411 F CA -0.436 57.684 58.000 0.200 0.000 0.922 411 F CB 1.831 40.918 39.000 0.145 0.000 1.194 411 F HN 0.213 nan 8.300 nan 0.000 0.443 412 I N 4.742 125.560 120.570 0.414 0.000 2.339 412 I HA 0.591 4.760 4.170 -0.002 0.000 0.290 412 I C -0.508 175.759 176.117 0.251 0.000 0.994 412 I CA -0.665 60.860 61.300 0.376 0.000 1.191 412 I CB 1.566 39.845 38.000 0.465 0.000 1.343 412 I HN 0.645 nan 8.210 nan 0.000 0.458 413 R N 4.182 124.804 120.500 0.204 0.000 2.836 413 R HA 0.530 4.869 4.340 -0.002 0.000 0.269 413 R C -1.024 175.337 176.300 0.101 0.000 1.010 413 R CA -0.946 55.228 56.100 0.125 0.000 0.930 413 R CB 1.471 31.845 30.300 0.123 0.000 1.218 413 R HN 0.408 nan 8.270 nan 0.000 0.473 414 E N 1.826 122.066 120.200 0.066 0.000 2.055 414 E HA 0.122 4.471 4.350 -0.002 0.000 0.274 414 E C 0.316 176.961 176.600 0.075 0.000 0.949 414 E CA -0.463 55.979 56.400 0.070 0.000 0.775 414 E CB 1.491 31.220 29.700 0.049 0.000 1.097 414 E HN 0.546 nan 8.360 nan 0.000 0.404 415 V N 6.863 126.828 119.914 0.085 0.000 2.222 415 V HA -0.256 3.862 4.120 -0.002 0.000 0.252 415 V C -0.888 175.256 176.094 0.082 0.000 1.060 415 V CA 2.338 64.686 62.300 0.080 0.000 1.027 415 V CB -1.210 30.662 31.823 0.081 0.000 0.644 415 V HN 0.661 nan 8.190 nan 0.000 0.448 416 P HA -0.146 nan 4.420 nan 0.000 0.216 416 P C 1.650 179.030 177.300 0.133 0.000 1.153 416 P CA 1.569 64.728 63.100 0.098 0.000 0.858 416 P CB -0.045 31.709 31.700 0.090 0.000 0.789 417 L N -2.213 119.085 121.223 0.125 0.000 2.585 417 L HA 0.153 4.492 4.340 -0.002 0.000 0.226 417 L C 0.224 177.125 176.870 0.051 0.000 1.113 417 L CA 0.086 55.005 54.840 0.132 0.000 0.876 417 L CB -0.601 41.521 42.059 0.104 0.000 1.072 417 L HN 0.028 nan 8.230 nan 0.000 0.468 418 N N -0.295 118.436 118.700 0.053 0.000 2.693 418 N HA -0.163 4.576 4.740 -0.002 0.000 0.249 418 N C 0.238 175.749 175.510 0.002 0.000 1.119 418 N CA 1.100 54.166 53.050 0.026 0.000 0.717 418 N CB -1.896 36.598 38.487 0.012 0.000 1.071 418 N HN 0.253 nan 8.380 nan 0.000 0.555 419 T N 1.277 115.835 114.554 0.006 0.000 2.940 419 T HA 0.203 4.551 4.350 -0.002 0.000 0.309 419 T C 1.309 176.021 174.700 0.021 0.000 1.056 419 T CA 0.052 62.152 62.100 -0.000 0.000 1.137 419 T CB 0.889 69.761 68.868 0.007 0.000 0.976 419 T HN 0.121 nan 8.240 nan 0.000 0.547 420 I N 4.571 125.160 120.570 0.031 0.000 2.268 420 I HA 0.187 4.355 4.170 -0.002 0.000 0.290 420 I C 1.296 177.404 176.117 -0.015 0.000 1.125 420 I CA -0.187 61.152 61.300 0.065 0.000 1.236 420 I CB 0.178 38.251 38.000 0.122 0.000 1.469 420 I HN 0.714 nan 8.210 nan 0.000 0.512 421 I N 4.176 124.679 120.570 -0.110 0.000 2.142 421 I HA -0.177 3.991 4.170 -0.002 0.000 0.240 421 I C 0.428 176.203 176.117 -0.569 0.000 1.078 421 I CA 1.746 62.803 61.300 -0.404 0.000 1.343 421 I CB 0.000 37.645 38.000 -0.592 0.000 1.046 421 I HN 0.282 nan 8.210 nan 0.000 0.405 422 F N -0.509 119.422 119.950 -0.033 0.000 2.654 422 F HA 0.662 5.187 4.527 -0.002 0.000 0.334 422 F C -0.080 175.701 175.800 -0.031 0.000 1.078 422 F CA -1.030 56.924 58.000 -0.077 0.000 0.986 422 F CB 1.491 40.511 39.000 0.034 0.000 1.362 422 F HN -0.192 nan 8.300 nan 0.000 0.498 423 M N 0.225 119.894 119.600 0.114 0.000 2.624 423 M HA 0.758 5.236 4.480 -0.002 0.000 0.286 423 M C -1.317 174.935 176.300 -0.079 0.000 1.095 423 M CA -0.463 54.753 55.300 -0.140 0.000 0.865 423 M CB 2.015 34.413 32.600 -0.336 0.000 1.762 423 M HN 0.838 nan 8.290 nan 0.000 0.527 424 G N 1.321 110.019 108.800 -0.170 0.000 2.489 424 G HA2 0.660 4.619 3.960 -0.002 0.000 0.305 424 G HA3 0.660 4.619 3.960 -0.002 0.000 0.305 424 G C -2.480 172.383 174.900 -0.062 0.000 1.311 424 G CA -0.957 44.175 45.100 0.055 0.000 0.813 424 G HN 0.962 nan 8.290 nan 0.000 0.480 425 R N -0.439 120.073 120.500 0.020 0.000 2.628 425 R HA 0.620 4.959 4.340 -0.002 0.000 0.288 425 R C -1.761 174.370 176.300 -0.282 0.000 0.980 425 R CA -0.550 55.497 56.100 -0.088 0.000 0.891 425 R CB 2.214 32.550 30.300 0.062 0.000 1.188 425 R HN 0.386 nan 8.270 nan 0.000 0.450 426 V N 4.374 123.922 119.914 -0.610 0.000 2.257 426 V HA 0.356 4.475 4.120 -0.002 0.000 0.269 426 V C 0.675 176.421 176.094 -0.581 0.000 1.040 426 V CA -0.034 61.751 62.300 -0.859 0.000 0.813 426 V CB 0.773 31.672 31.823 -1.539 0.000 1.065 426 V HN 0.947 nan 8.190 nan 0.000 0.457 427 A N 4.216 126.834 122.820 -0.336 0.000 2.252 427 A HA 0.296 4.615 4.320 -0.002 0.000 0.213 427 A C 0.865 178.379 177.584 -0.116 0.000 1.188 427 A CA 0.334 52.302 52.037 -0.115 0.000 0.863 427 A CB -0.019 18.938 19.000 -0.071 0.000 0.893 427 A HN 0.689 nan 8.150 nan 0.000 0.495 428 N N -0.413 118.075 118.700 -0.354 0.000 2.824 428 N HA 0.196 4.935 4.740 -0.002 0.000 0.224 428 N C -2.526 172.679 175.510 -0.508 0.000 1.418 428 N CA -0.770 52.044 53.050 -0.394 0.000 0.743 428 N CB 1.374 39.744 38.487 -0.195 0.000 1.395 428 N HN -0.035 nan 8.380 nan 0.000 0.548 429 P HA 0.159 nan 4.420 nan 0.000 0.252 429 P C 0.085 177.205 177.300 -0.300 0.000 1.218 429 P CA -0.040 62.747 63.100 -0.521 0.000 0.807 429 P CB -0.164 31.179 31.700 -0.594 0.000 1.072 430 c N 1.429 119.820 118.600 -0.349 0.000 2.679 430 c HA 0.374 4.943 4.570 -0.002 0.000 0.417 430 c C 1.633 175.672 174.090 -0.086 0.000 1.302 430 c CA -1.375 54.861 56.329 -0.156 0.000 1.973 430 c CB -0.636 41.808 42.510 -0.110 0.000 2.715 430 c HN 0.233 nan 8.230 nan 0.000 0.628 431 V N 0.000 119.892 119.914 -0.037 0.000 2.409 431 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 431 V CA 0.000 62.289 62.300 -0.018 0.000 1.235 431 V CB 0.000 31.825 31.823 0.002 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556