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 1e04_1_L DATA FIRST_RESID 5 DATA SEQUENCE VDIcTAKPRD IPMNPMcIYR SPEXXXXXXX XXXXXXXEAT 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 VAEGRDDLYV SDAFHKAFLE VNEEGSEAAA STAVVIAGRS LNPNRVTFKA DATA SEQUENCE NRPFLVFIRE VPLNTIIFMG RVANPc 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 0.000 176.094 176.094 0.000 0.000 1.182 5 V CA 0.000 62.300 62.300 -0.001 0.000 1.235 5 V CB 0.000 31.821 31.823 -0.004 0.000 1.184 6 D N 2.764 123.170 120.400 0.010 0.000 2.441 6 D HA 0.445 5.088 4.640 0.004 0.000 0.231 6 D C 0.534 176.845 176.300 0.018 0.000 1.073 6 D CA -0.337 53.668 54.000 0.009 0.000 0.850 6 D CB 1.884 42.691 40.800 0.012 0.000 1.062 6 D HN 0.572 nan 8.370 nan 0.000 0.524 7 I N 2.729 123.299 120.570 0.001 0.000 2.676 7 I HA -0.192 3.981 4.170 0.004 0.000 0.259 7 I C 1.825 177.919 176.117 -0.038 0.000 1.194 7 I CA 0.769 62.066 61.300 -0.005 0.000 1.473 7 I CB 0.351 38.323 38.000 -0.048 0.000 1.096 7 I HN 0.458 nan 8.210 nan 0.000 0.443 8 c N 0.098 118.682 118.600 -0.027 0.000 2.446 8 c HA -0.120 4.453 4.570 0.004 0.000 0.277 8 c C 2.632 176.722 174.090 0.000 0.000 1.275 8 c CA 1.619 57.933 56.329 -0.025 0.000 1.727 8 c CB -1.352 41.157 42.510 -0.003 0.000 2.010 8 c HN 0.536 nan 8.230 nan 0.000 0.486 9 T N 0.533 115.100 114.554 0.022 0.000 3.044 9 T HA 0.254 4.607 4.350 0.004 0.000 0.255 9 T C 1.021 175.764 174.700 0.071 0.000 1.073 9 T CA 0.712 62.836 62.100 0.040 0.000 1.125 9 T CB -0.232 68.656 68.868 0.033 0.000 0.908 9 T HN 0.561 nan 8.240 nan 0.000 0.480 10 A N 2.296 125.170 122.820 0.090 0.000 2.507 10 A HA 0.364 4.687 4.320 0.004 0.000 0.235 10 A C 0.512 178.236 177.584 0.234 0.000 1.070 10 A CA 0.008 52.127 52.037 0.137 0.000 0.768 10 A CB 0.291 19.384 19.000 0.154 0.000 1.011 10 A HN 0.118 nan 8.150 nan 0.000 0.502 11 K N 1.423 121.928 120.400 0.175 0.000 2.106 11 K HA 0.336 4.658 4.320 0.004 0.000 0.246 11 K C -1.950 174.646 176.600 -0.008 0.000 0.987 11 K CA -1.991 54.396 56.287 0.166 0.000 0.904 11 K CB 0.570 33.115 32.500 0.074 0.000 1.071 11 K HN 0.270 nan 8.250 nan 0.000 0.453 12 P HA -0.237 nan 4.420 nan 0.000 0.214 12 P C 1.149 178.226 177.300 -0.371 0.000 1.169 12 P CA 1.480 64.117 63.100 -0.773 0.000 0.908 12 P CB 0.089 31.432 31.700 -0.596 0.000 0.791 13 R N 0.305 120.687 120.500 -0.196 0.000 2.344 13 R HA -0.293 4.049 4.340 0.004 0.000 0.210 13 R C 1.828 178.071 176.300 -0.094 0.000 1.089 13 R CA 2.824 58.858 56.100 -0.110 0.000 0.748 13 R CB -1.766 28.500 30.300 -0.056 0.000 0.934 13 R HN 0.180 nan 8.270 nan 0.000 0.364 14 D N 0.521 120.884 120.400 -0.061 0.000 2.127 14 D HA -0.162 4.481 4.640 0.004 0.000 0.190 14 D C 0.762 177.035 176.300 -0.046 0.000 1.000 14 D CA 1.400 55.378 54.000 -0.036 0.000 0.839 14 D CB -0.619 40.178 40.800 -0.006 0.000 0.955 14 D HN 0.302 nan 8.370 nan 0.000 0.446 15 I N 3.114 123.651 120.570 -0.056 0.000 2.742 15 I HA -0.060 4.113 4.170 0.004 0.000 0.287 15 I C -1.226 174.845 176.117 -0.075 0.000 1.186 15 I CA -0.760 60.510 61.300 -0.050 0.000 1.417 15 I CB -0.554 37.429 38.000 -0.028 0.000 1.377 15 I HN -0.009 nan 8.210 nan 0.000 0.556 16 P HA 0.002 nan 4.420 nan 0.000 0.251 16 P C 0.546 177.820 177.300 -0.043 0.000 1.223 16 P CA -0.081 62.991 63.100 -0.047 0.000 0.796 16 P CB 0.116 31.796 31.700 -0.033 0.000 1.068 17 M N 1.142 120.716 119.600 -0.043 0.000 2.303 17 M HA -0.127 4.356 4.480 0.004 0.000 0.491 17 M C -1.026 175.259 176.300 -0.024 0.000 1.485 17 M CA 0.883 56.161 55.300 -0.036 0.000 0.779 17 M CB -1.222 31.358 32.600 -0.033 0.000 2.006 17 M HN -0.095 nan 8.290 nan 0.000 0.535 18 N N 3.940 122.631 118.700 -0.014 0.000 2.716 18 N HA 0.600 5.343 4.740 0.004 0.000 0.253 18 N C -3.185 172.333 175.510 0.013 0.000 1.170 18 N CA -1.626 51.424 53.050 0.000 0.000 0.807 18 N CB 0.610 39.095 38.487 -0.003 0.000 1.183 18 N HN 0.413 nan 8.380 nan 0.000 0.524 19 P HA 0.134 nan 4.420 nan 0.000 0.275 19 P C 1.168 178.493 177.300 0.042 0.000 1.228 19 P CA -0.634 62.489 63.100 0.039 0.000 0.786 19 P CB 1.138 32.870 31.700 0.054 0.000 0.927 20 M N 1.771 121.394 119.600 0.038 0.000 2.539 20 M HA -0.199 4.284 4.480 0.004 0.000 0.265 20 M C -0.031 176.292 176.300 0.038 0.000 1.064 20 M CA 2.203 57.521 55.300 0.030 0.000 1.077 20 M CB -0.380 32.230 32.600 0.017 0.000 1.246 20 M HN 0.336 nan 8.290 nan 0.000 0.470 21 c N 0.088 118.717 118.600 0.049 0.000 2.365 21 c HA 0.706 5.278 4.570 0.004 0.000 0.349 21 c C -0.169 173.975 174.090 0.090 0.000 1.191 21 c CA -1.383 54.983 56.329 0.063 0.000 2.114 21 c CB 0.478 43.025 42.510 0.061 0.000 2.367 21 c HN 0.403 nan 8.230 nan 0.000 0.530 22 I N 1.232 121.861 120.570 0.099 0.000 2.569 22 I HA 0.448 4.621 4.170 0.004 0.000 0.296 22 I C -0.647 175.575 176.117 0.175 0.000 1.028 22 I CA -0.360 61.013 61.300 0.122 0.000 1.082 22 I CB 1.287 39.334 38.000 0.078 0.000 1.264 22 I HN 0.719 nan 8.210 nan 0.000 0.429 23 Y N 4.745 125.079 120.300 0.057 0.000 2.468 23 Y HA 0.810 5.363 4.550 0.004 0.000 0.342 23 Y C -0.119 175.814 175.900 0.056 0.000 1.021 23 Y CA -0.923 57.212 58.100 0.057 0.000 1.079 23 Y CB 1.282 39.783 38.460 0.069 0.000 1.226 23 Y HN 0.554 nan 8.280 nan 0.000 0.460 24 R N 2.893 122.974 120.500 -0.699 0.000 2.272 24 R HA 0.571 4.913 4.340 0.004 0.000 0.323 24 R C -0.763 175.093 176.300 -0.739 0.000 1.002 24 R CA -0.382 55.399 56.100 -0.532 0.000 0.900 24 R CB -0.302 nan 30.300 nan 0.000 1.151 24 R HN 0.735 nan 8.270 nan 0.000 0.507 25 S N 5.331 120.787 115.700 -0.406 0.000 2.498 25 S HA 0.269 4.741 4.470 0.004 0.000 0.281 25 S C -1.690 172.859 174.600 -0.086 0.000 1.265 25 S CA -0.731 57.385 58.200 -0.140 0.000 1.071 25 S CB 0.742 64.002 63.200 0.100 0.000 0.894 25 S HN 0.760 nan 8.310 nan 0.000 0.491 26 P HA 0.197 nan 4.420 nan 0.000 0.275 26 P C -0.024 177.278 177.300 0.004 0.000 1.270 26 P CA -0.533 62.552 63.100 -0.025 0.000 0.791 26 P CB 0.576 32.273 31.700 -0.004 0.000 1.089 43 A N 0.283 123.120 122.820 0.029 0.000 1.930 43 A HA 0.125 4.447 4.320 0.004 0.000 0.215 43 A C 2.140 179.728 177.584 0.007 0.000 1.176 43 A CA 2.695 54.749 52.037 0.027 0.000 0.632 43 A CB -0.208 18.826 19.000 0.057 0.000 0.819 43 A HN 0.820 nan 8.150 nan 0.000 0.445 44 T N 0.307 114.899 114.554 0.063 0.000 2.978 44 T HA -0.059 4.294 4.350 0.004 0.000 0.262 44 T C 1.824 176.522 174.700 -0.004 0.000 1.063 44 T CA 0.913 63.055 62.100 0.071 0.000 1.140 44 T CB -0.290 68.733 68.868 0.259 0.000 0.886 44 T HN 0.411 nan 8.240 nan 0.000 0.470 45 N N 1.472 120.183 118.700 0.018 0.000 2.069 45 N HA -0.074 4.668 4.740 0.004 0.000 0.191 45 N C 2.030 177.564 175.510 0.039 0.000 1.031 45 N CA 1.144 54.205 53.050 0.017 0.000 0.852 45 N CB -0.246 38.239 38.487 -0.003 0.000 1.018 45 N HN 0.324 nan 8.380 nan 0.000 0.423 46 R N 0.723 121.238 120.500 0.025 0.000 2.083 46 R HA -0.033 4.309 4.340 0.004 0.000 0.237 46 R C 2.209 178.561 176.300 0.087 0.000 1.137 46 R CA 1.420 57.586 56.100 0.110 0.000 0.951 46 R CB 0.009 30.344 30.300 0.059 0.000 0.851 46 R HN 0.059 nan 8.270 nan 0.000 0.434 47 R N -0.594 119.810 120.500 -0.161 0.000 2.096 47 R HA -0.067 4.276 4.340 0.004 0.000 0.235 47 R C 2.125 178.241 176.300 -0.306 0.000 1.127 47 R CA 1.163 57.001 56.100 -0.437 0.000 0.968 47 R CB -0.277 29.276 30.300 -1.246 0.000 0.861 47 R HN 0.083 nan 8.270 nan 0.000 0.440 48 V N -0.917 118.907 119.914 -0.151 0.000 2.358 48 V HA -0.231 3.891 4.120 0.004 0.000 0.246 48 V C 1.743 177.856 176.094 0.033 0.000 1.047 48 V CA 1.667 63.952 62.300 -0.025 0.000 1.035 48 V CB -0.503 31.335 31.823 0.026 0.000 0.658 48 V HN 0.522 nan 8.190 nan 0.000 0.452 49 W N 1.340 122.584 121.300 -0.093 0.000 2.374 49 W HA -0.138 4.524 4.660 0.003 0.000 0.288 49 W C 2.229 178.712 176.519 -0.060 0.000 1.218 49 W CA 1.703 59.009 57.345 -0.066 0.000 1.245 49 W CB -0.078 29.348 29.460 -0.056 0.000 1.126 49 W HN 0.306 nan 8.180 nan 0.000 0.545 50 E N -0.101 119.969 120.200 -0.217 0.000 2.152 50 E HA -0.211 4.142 4.350 0.004 0.000 0.192 50 E C 2.013 178.468 176.600 -0.242 0.000 0.983 50 E CA 1.239 57.425 56.400 -0.356 0.000 0.818 50 E CB -0.458 29.139 29.700 -0.173 0.000 0.758 50 E HN 0.261 nan 8.360 nan 0.000 0.467 51 L N 0.913 122.043 121.223 -0.155 0.000 2.072 51 L HA -0.146 4.196 4.340 0.004 0.000 0.205 51 L C 2.343 179.130 176.870 -0.139 0.000 1.079 51 L CA 1.960 56.737 54.840 -0.105 0.000 0.752 51 L CB -0.618 41.363 42.059 -0.129 0.000 0.906 51 L HN 0.074 nan 8.230 nan 0.000 0.436 52 S N -0.485 115.118 115.700 -0.163 0.000 2.359 52 S HA -0.295 4.177 4.470 0.004 0.000 0.224 52 S C 2.016 176.519 174.600 -0.162 0.000 1.035 52 S CA 1.582 59.701 58.200 -0.134 0.000 1.018 52 S CB -0.708 62.439 63.200 -0.089 0.000 0.876 52 S HN 0.559 nan 8.310 nan 0.000 0.448 53 K N 1.925 122.145 120.400 -0.300 0.000 2.020 53 K HA -0.070 4.252 4.320 0.004 0.000 0.212 53 K C 2.652 179.164 176.600 -0.147 0.000 1.050 53 K CA 1.410 57.525 56.287 -0.286 0.000 0.929 53 K CB -0.811 31.402 32.500 -0.477 0.000 0.714 53 K HN 0.520 nan 8.250 nan 0.000 0.443 54 A N 1.964 124.718 122.820 -0.111 0.000 1.873 54 A HA -0.285 4.037 4.320 0.004 0.000 0.218 54 A C 1.859 179.454 177.584 0.017 0.000 1.193 54 A CA 2.168 54.187 52.037 -0.030 0.000 0.629 54 A CB -1.024 18.001 19.000 0.041 0.000 0.826 54 A HN 0.417 nan 8.150 nan 0.000 0.447 55 N N -0.378 118.343 118.700 0.035 0.000 2.061 55 N HA -0.146 4.596 4.740 0.004 0.000 0.193 55 N C 2.020 177.613 175.510 0.139 0.000 1.030 55 N CA 1.507 54.627 53.050 0.116 0.000 0.856 55 N CB -0.185 38.347 38.487 0.075 0.000 1.023 55 N HN 0.441 nan 8.380 nan 0.000 0.424 56 S N 0.428 116.161 115.700 0.056 0.000 2.368 56 S HA -0.059 4.414 4.470 0.004 0.000 0.225 56 S C 1.801 176.420 174.600 0.033 0.000 1.030 56 S CA 0.817 59.045 58.200 0.046 0.000 0.999 56 S CB -0.094 63.104 63.200 -0.002 0.000 0.844 56 S HN 0.261 nan 8.310 nan 0.000 0.459 57 R N -0.170 120.336 120.500 0.010 0.000 2.083 57 R HA -0.127 4.215 4.340 0.004 0.000 0.237 57 R C 2.104 178.416 176.300 0.021 0.000 1.137 57 R CA 1.822 57.922 56.100 -0.000 0.000 0.951 57 R CB -0.505 29.785 30.300 -0.016 0.000 0.851 57 R HN 0.442 nan 8.270 nan 0.000 0.434 58 F N 1.192 121.096 119.950 -0.076 0.000 2.069 58 F HA -0.254 4.275 4.527 0.005 0.000 0.298 58 F C 2.159 177.960 175.800 0.002 0.000 1.113 58 F CA 1.485 59.419 58.000 -0.109 0.000 1.214 58 F CB -0.714 38.177 39.000 -0.182 0.000 0.978 58 F HN 0.051 nan 8.300 nan 0.000 0.474 59 A N 0.219 122.994 122.820 -0.076 0.000 1.869 59 A HA -0.329 3.994 4.320 0.004 0.000 0.218 59 A C 2.334 179.890 177.584 -0.047 0.000 1.203 59 A CA 3.517 55.513 52.037 -0.069 0.000 0.638 59 A CB -1.793 17.265 19.000 0.096 0.000 0.831 59 A HN 0.594 nan 8.150 nan 0.000 0.450 60 T N -3.008 111.546 114.554 0.001 0.000 2.708 60 T HA -0.157 4.195 4.350 0.004 0.000 0.266 60 T C 1.807 176.513 174.700 0.010 0.000 1.037 60 T CA 2.224 64.346 62.100 0.036 0.000 1.146 60 T CB -1.301 67.580 68.868 0.021 0.000 0.865 60 T HN 0.394 nan 8.240 nan 0.000 0.435 61 T N 1.416 115.936 114.554 -0.058 0.000 2.746 61 T HA -0.006 4.346 4.350 0.004 0.000 0.267 61 T C 1.388 176.049 174.700 -0.064 0.000 1.039 61 T CA 1.353 63.429 62.100 -0.039 0.000 1.142 61 T CB -0.689 68.152 68.868 -0.046 0.000 0.866 61 T HN 0.396 nan 8.240 nan 0.000 0.444 62 F N 0.934 120.608 119.950 -0.461 0.000 2.102 62 F HA -0.122 4.407 4.527 0.004 0.000 0.298 62 F C 2.190 177.866 175.800 -0.207 0.000 1.105 62 F CA 0.898 58.606 58.000 -0.486 0.000 1.239 62 F CB -0.674 37.776 39.000 -0.917 0.000 0.991 62 F HN 0.134 nan 8.300 nan 0.000 0.474 63 Y N 1.445 121.613 120.300 -0.220 0.000 2.040 63 Y HA -0.388 4.165 4.550 0.005 0.000 0.275 63 Y C 2.584 178.316 175.900 -0.279 0.000 1.171 63 Y CA 2.607 60.571 58.100 -0.227 0.000 1.123 63 Y CB -0.859 37.539 38.460 -0.103 0.000 0.963 63 Y HN 0.254 nan 8.280 nan 0.000 0.493 64 Q N -1.248 118.499 119.800 -0.088 0.000 2.077 64 Q HA -0.275 4.068 4.340 0.004 0.000 0.206 64 Q C 2.148 177.933 176.000 -0.358 0.000 0.989 64 Q CA 1.769 57.462 55.803 -0.184 0.000 0.853 64 Q CB -0.496 28.177 28.738 -0.108 0.000 0.907 64 Q HN 0.670 nan 8.270 nan 0.000 0.418 65 H N 0.042 118.881 119.070 -0.385 0.000 2.353 65 H HA -0.117 4.442 4.556 0.004 0.000 0.300 65 H C 2.214 177.230 175.328 -0.521 0.000 1.090 65 H CA 1.353 57.157 56.048 -0.408 0.000 1.327 65 H CB 0.021 29.538 29.762 -0.407 0.000 1.383 65 H HN 0.170 nan 8.280 nan 0.000 0.508 66 L N 0.884 121.714 121.223 -0.655 0.000 2.093 66 L HA -0.010 4.333 4.340 0.004 0.000 0.208 66 L C 2.530 179.041 176.870 -0.598 0.000 1.085 66 L CA 1.625 56.019 54.840 -0.743 0.000 0.755 66 L CB -0.603 40.824 42.059 -1.053 0.000 0.904 66 L HN 0.121 nan 8.230 nan 0.000 0.435 67 A N -1.124 121.310 122.820 -0.643 0.000 1.969 67 A HA -0.200 4.122 4.320 0.004 0.000 0.218 67 A C 1.966 179.359 177.584 -0.319 0.000 1.169 67 A CA 1.727 53.452 52.037 -0.519 0.000 0.635 67 A CB -0.758 17.895 19.000 -0.578 0.000 0.810 67 A HN 0.499 nan 8.150 nan 0.000 0.445 68 D N -0.443 119.778 120.400 -0.299 0.000 2.269 68 D HA -0.068 4.574 4.640 0.004 0.000 0.208 68 D C 1.940 178.128 176.300 -0.187 0.000 0.963 68 D CA 1.324 55.191 54.000 -0.221 0.000 0.864 68 D CB 0.041 40.699 40.800 -0.237 0.000 0.936 68 D HN 0.512 nan 8.370 nan 0.000 0.505 69 S N -1.291 114.281 115.700 -0.212 0.000 2.660 69 S HA 0.194 4.666 4.470 0.004 0.000 0.227 69 S C 0.554 175.057 174.600 -0.160 0.000 0.948 69 S CA -0.390 57.709 58.200 -0.169 0.000 0.948 69 S CB 0.215 63.311 63.200 -0.173 0.000 0.779 69 S HN -0.060 nan 8.310 nan 0.000 0.487 70 K N 1.140 121.437 120.400 -0.172 0.000 2.444 70 K HA 0.329 4.652 4.320 0.004 0.000 0.252 70 K C -0.796 175.742 176.600 -0.104 0.000 0.993 70 K CA -0.842 55.361 56.287 -0.141 0.000 0.847 70 K CB 1.338 33.727 32.500 -0.184 0.000 1.340 70 K HN 0.185 nan 8.250 nan 0.000 0.446 71 N N 0.898 119.556 118.700 -0.071 0.000 2.453 71 N HA -0.056 4.687 4.740 0.004 0.000 0.253 71 N C -0.195 175.285 175.510 -0.049 0.000 1.252 71 N CA 0.128 53.149 53.050 -0.048 0.000 0.917 71 N CB 0.820 39.291 38.487 -0.026 0.000 1.117 71 N HN 0.446 nan 8.380 nan 0.000 0.442 72 D N 0.933 121.313 120.400 -0.034 0.000 2.224 72 D HA -0.045 4.598 4.640 0.004 0.000 0.205 72 D C 0.200 176.499 176.300 -0.001 0.000 0.965 72 D CA 1.083 55.070 54.000 -0.021 0.000 0.852 72 D CB 0.045 40.839 40.800 -0.010 0.000 0.947 72 D HN 0.475 nan 8.370 nan 0.000 0.494 73 N N 1.216 119.920 118.700 0.006 0.000 2.320 73 N HA -0.000 4.742 4.740 0.004 0.000 0.237 73 N C -0.480 175.039 175.510 0.016 0.000 1.129 73 N CA 0.048 53.113 53.050 0.025 0.000 0.854 73 N CB 0.636 39.148 38.487 0.041 0.000 1.083 73 N HN 0.100 nan 8.380 nan 0.000 0.504 74 D N 0.314 120.711 120.400 -0.006 0.000 2.181 74 D HA 0.213 4.855 4.640 0.004 0.000 0.248 74 D C -0.171 176.118 176.300 -0.017 0.000 1.020 74 D CA -0.377 53.616 54.000 -0.012 0.000 0.891 74 D CB 0.992 41.775 40.800 -0.027 0.000 1.187 74 D HN -0.083 nan 8.370 nan 0.000 0.443 75 N N 1.673 120.367 118.700 -0.009 0.000 2.518 75 N HA 0.236 4.978 4.740 0.004 0.000 0.266 75 N C -0.356 175.182 175.510 0.047 0.000 1.196 75 N CA 0.287 53.339 53.050 0.002 0.000 0.947 75 N CB 0.808 39.301 38.487 0.010 0.000 1.098 75 N HN 0.376 nan 8.380 nan 0.000 0.450 76 I N 1.951 122.576 120.570 0.092 0.000 2.533 76 I HA 0.418 4.590 4.170 0.004 0.000 0.290 76 I C -1.165 175.156 176.117 0.340 0.000 1.056 76 I CA -0.707 60.679 61.300 0.144 0.000 1.057 76 I CB 1.574 39.597 38.000 0.039 0.000 1.240 76 I HN 0.287 nan 8.210 nan 0.000 0.423 77 F N 7.936 128.028 119.950 0.236 0.000 2.622 77 F HA 0.710 5.239 4.527 0.004 0.000 0.318 77 F C -1.624 174.447 175.800 0.453 0.000 1.135 77 F CA -0.599 57.569 58.000 0.281 0.000 1.015 77 F CB 1.486 40.607 39.000 0.201 0.000 1.275 77 F HN 0.307 nan 8.300 nan 0.000 0.457 78 L N 1.967 123.087 121.223 -0.172 0.000 2.765 78 L HA 0.807 5.149 4.340 0.004 0.000 0.263 78 L C -1.618 175.280 176.870 0.046 0.000 1.068 78 L CA -0.892 54.060 54.840 0.185 0.000 0.903 78 L CB 1.925 44.179 42.059 0.325 0.000 1.512 78 L HN 0.460 nan 8.230 nan 0.000 0.404 79 S N 0.685 116.588 115.700 0.337 0.000 2.594 79 S HA 0.586 5.058 4.470 0.004 0.000 0.322 79 S C -1.928 172.704 174.600 0.053 0.000 1.085 79 S CA -1.406 56.826 58.200 0.053 0.000 1.116 79 S CB 1.106 64.241 63.200 -0.108 0.000 0.979 79 S HN 0.649 nan 8.310 nan 0.000 0.465 80 P HA -0.035 nan 4.420 nan 0.000 0.222 80 P C 1.537 178.966 177.300 0.216 0.000 1.153 80 P CA 0.258 63.432 63.100 0.124 0.000 0.798 80 P CB 0.101 31.882 31.700 0.136 0.000 0.796 81 L N 0.244 121.557 121.223 0.150 0.000 2.093 81 L HA -0.071 4.272 4.340 0.004 0.000 0.208 81 L C 2.621 179.641 176.870 0.251 0.000 1.085 81 L CA 1.983 56.950 54.840 0.212 0.000 0.755 81 L CB -1.540 40.600 42.059 0.136 0.000 0.904 81 L HN -0.075 nan 8.230 nan 0.000 0.435 82 S N -0.588 115.222 115.700 0.184 0.000 2.368 82 S HA -0.175 4.298 4.470 0.004 0.000 0.225 82 S C 2.032 176.769 174.600 0.229 0.000 1.030 82 S CA 1.743 60.065 58.200 0.204 0.000 0.999 82 S CB -0.461 62.892 63.200 0.254 0.000 0.844 82 S HN 0.501 nan 8.310 nan 0.000 0.459 83 I N 0.998 121.720 120.570 0.254 0.000 2.202 83 I HA -0.126 4.046 4.170 0.004 0.000 0.242 83 I C 2.691 178.986 176.117 0.297 0.000 1.091 83 I CA 1.182 62.655 61.300 0.288 0.000 1.368 83 I CB -0.508 37.594 38.000 0.170 0.000 1.058 83 I HN 0.258 nan 8.210 nan 0.000 0.410 84 S N 0.252 116.120 115.700 0.280 0.000 2.359 84 S HA -0.188 4.285 4.470 0.004 0.000 0.224 84 S C 2.088 176.809 174.600 0.201 0.000 1.035 84 S CA 2.053 60.403 58.200 0.249 0.000 1.018 84 S CB -0.447 63.037 63.200 0.473 0.000 0.876 84 S HN 0.480 nan 8.310 nan 0.000 0.448 85 T N 2.477 117.120 114.554 0.149 0.000 2.652 85 T HA -0.107 4.246 4.350 0.004 0.000 0.267 85 T C 2.140 176.607 174.700 -0.387 0.000 1.039 85 T CA 1.377 63.302 62.100 -0.292 0.000 1.153 85 T CB -0.614 68.188 68.868 -0.110 0.000 0.863 85 T HN 0.474 nan 8.240 nan 0.000 0.428 86 A N 0.688 123.392 122.820 -0.193 0.000 1.933 86 A HA 0.019 4.342 4.320 0.004 0.000 0.218 86 A C 1.943 179.268 177.584 -0.431 0.000 1.175 86 A CA 1.300 53.164 52.037 -0.287 0.000 0.628 86 A CB -0.925 17.969 19.000 -0.177 0.000 0.814 86 A HN 0.492 nan 8.150 nan 0.000 0.444 87 F N -0.326 119.403 119.950 -0.368 0.000 2.558 87 F HA 0.143 4.672 4.527 0.004 0.000 0.298 87 F C 2.567 178.116 175.800 -0.417 0.000 1.119 87 F CA 0.550 58.260 58.000 -0.484 0.000 1.451 87 F CB -0.115 38.340 39.000 -0.908 0.000 1.091 87 F HN 0.256 nan 8.300 nan 0.000 0.563 88 A N -0.109 122.577 122.820 -0.223 0.000 1.929 88 A HA -0.148 4.175 4.320 0.004 0.000 0.216 88 A C 2.235 179.673 177.584 -0.242 0.000 1.176 88 A CA 1.219 53.172 52.037 -0.140 0.000 0.628 88 A CB -0.579 18.284 19.000 -0.228 0.000 0.816 88 A HN 0.283 nan 8.150 nan 0.000 0.444 89 M N -0.620 118.607 119.600 -0.622 0.000 2.080 89 M HA -0.148 4.334 4.480 0.004 0.000 0.260 89 M C 2.227 178.386 176.300 -0.234 0.000 1.068 89 M CA 2.079 57.021 55.300 -0.598 0.000 1.109 89 M CB -0.860 31.362 32.600 -0.630 0.000 1.342 89 M HN 0.433 nan 8.290 nan 0.000 0.405 90 T N 0.194 114.601 114.554 -0.245 0.000 2.759 90 T HA -0.172 4.180 4.350 0.004 0.000 0.269 90 T C 1.785 176.441 174.700 -0.072 0.000 1.042 90 T CA 1.154 63.146 62.100 -0.181 0.000 1.140 90 T CB -0.244 68.431 68.868 -0.321 0.000 0.864 90 T HN 0.336 nan 8.240 nan 0.000 0.455 91 K N 0.658 121.053 120.400 -0.008 0.000 2.280 91 K HA 0.015 4.338 4.320 0.004 0.000 0.202 91 K C 2.136 178.813 176.600 0.128 0.000 1.047 91 K CA 0.656 56.997 56.287 0.091 0.000 0.942 91 K CB -0.306 32.300 32.500 0.177 0.000 0.739 91 K HN 0.363 nan 8.250 nan 0.000 0.457 92 L N -0.552 120.717 121.223 0.076 0.000 2.042 92 L HA -0.169 4.174 4.340 0.004 0.000 0.210 92 L C 2.325 179.239 176.870 0.073 0.000 1.076 92 L CA 1.617 56.474 54.840 0.028 0.000 0.749 92 L CB -0.485 41.591 42.059 0.028 0.000 0.893 92 L HN 0.299 nan 8.230 nan 0.000 0.432 93 G N -0.892 107.902 108.800 -0.010 0.000 2.777 93 G HA2 0.243 4.206 3.960 0.004 0.000 0.211 93 G HA3 0.243 4.206 3.960 0.004 0.000 0.211 93 G C 0.727 175.575 174.900 -0.087 0.000 1.149 93 G CA 0.371 45.375 45.100 -0.161 0.000 0.785 93 G HN 0.371 nan 8.290 nan 0.000 0.536 94 A N -0.899 121.902 122.820 -0.032 0.000 2.386 94 A HA 0.539 4.862 4.320 0.004 0.000 0.246 94 A C -0.130 177.460 177.584 0.011 0.000 1.089 94 A CA 0.077 52.107 52.037 -0.013 0.000 0.790 94 A CB 0.403 19.409 19.000 0.011 0.000 1.042 94 A HN 0.522 nan 8.150 nan 0.000 0.497 95 c N 0.499 119.104 118.600 0.009 0.000 3.239 95 c HA 0.592 5.164 4.570 0.004 0.000 0.317 95 c C 0.738 174.842 174.090 0.023 0.000 1.310 95 c CA 0.060 56.403 56.329 0.023 0.000 1.371 95 c CB 0.064 42.582 42.510 0.014 0.000 1.714 95 c HN 1.266 nan 8.230 nan 0.000 0.473 96 N N 1.318 120.042 118.700 0.041 0.000 1.194 96 N HA -0.263 4.480 4.740 0.004 0.000 0.131 96 N C 0.062 175.584 175.510 0.021 0.000 0.688 96 N CA 2.038 55.115 53.050 0.044 0.000 0.927 96 N CB -0.709 37.799 38.487 0.035 0.000 1.224 96 N HN 0.844 nan 8.380 nan 0.000 0.529 97 D N -0.755 119.653 120.400 0.014 0.000 2.224 97 D HA 0.027 4.670 4.640 0.004 0.000 0.205 97 D C 1.669 177.959 176.300 -0.018 0.000 0.965 97 D CA 1.337 55.335 54.000 -0.003 0.000 0.852 97 D CB -0.440 40.368 40.800 0.013 0.000 0.947 97 D HN 0.408 nan 8.370 nan 0.000 0.494 98 T N 0.736 115.286 114.554 -0.007 0.000 2.857 98 T HA -0.091 4.262 4.350 0.004 0.000 0.266 98 T C 1.825 176.517 174.700 -0.013 0.000 1.048 98 T CA 0.466 62.563 62.100 -0.005 0.000 1.139 98 T CB -0.114 68.750 68.868 -0.006 0.000 0.874 98 T HN 0.079 nan 8.240 nan 0.000 0.455 99 L N 1.188 122.398 121.223 -0.020 0.000 2.109 99 L HA 0.071 4.414 4.340 0.004 0.000 0.207 99 L C 2.468 179.252 176.870 -0.143 0.000 1.086 99 L CA 1.690 56.516 54.840 -0.023 0.000 0.760 99 L CB -0.736 41.336 42.059 0.021 0.000 0.910 99 L HN 0.202 nan 8.230 nan 0.000 0.437 100 Q N -0.826 118.808 119.800 -0.278 0.000 2.079 100 Q HA -0.253 4.089 4.340 0.004 0.000 0.200 100 Q C 2.228 178.035 176.000 -0.322 0.000 0.974 100 Q CA 1.881 57.304 55.803 -0.634 0.000 0.840 100 Q CB -0.172 28.238 28.738 -0.548 0.000 0.898 100 Q HN 0.692 nan 8.270 nan 0.000 0.430 101 Q N 0.208 119.926 119.800 -0.136 0.000 2.061 101 Q HA -0.156 4.187 4.340 0.004 0.000 0.204 101 Q C 2.270 178.283 176.000 0.021 0.000 0.984 101 Q CA 1.589 57.368 55.803 -0.040 0.000 0.846 101 Q CB -0.065 28.677 28.738 0.005 0.000 0.902 101 Q HN 0.402 nan 8.270 nan 0.000 0.421 102 L N -0.168 121.092 121.223 0.063 0.000 2.042 102 L HA -0.243 4.099 4.340 0.004 0.000 0.210 102 L C 2.437 179.437 176.870 0.217 0.000 1.076 102 L CA 0.860 55.809 54.840 0.181 0.000 0.749 102 L CB -0.302 41.843 42.059 0.143 0.000 0.893 102 L HN 0.373 nan 8.230 nan 0.000 0.432 103 M N -0.898 118.786 119.600 0.140 0.000 2.117 103 M HA -0.212 4.270 4.480 0.004 0.000 0.262 103 M C 2.143 178.496 176.300 0.088 0.000 1.065 103 M CA 1.773 57.192 55.300 0.199 0.000 1.114 103 M CB -1.001 31.663 32.600 0.107 0.000 1.361 103 M HN 0.288 nan 8.290 nan 0.000 0.408 104 E N -0.176 120.030 120.200 0.011 0.000 2.072 104 E HA -0.107 4.245 4.350 0.004 0.000 0.190 104 E C 2.160 178.735 176.600 -0.042 0.000 0.982 104 E CA 1.008 57.409 56.400 0.001 0.000 0.803 104 E CB 0.022 29.716 29.700 -0.011 0.000 0.755 104 E HN 0.243 nan 8.360 nan 0.000 0.453 105 V N 0.343 120.218 119.914 -0.066 0.000 2.427 105 V HA -0.182 3.941 4.120 0.004 0.000 0.248 105 V C 1.418 177.251 176.094 -0.434 0.000 1.051 105 V CA 1.445 63.623 62.300 -0.205 0.000 1.048 105 V CB -0.313 31.367 31.823 -0.238 0.000 0.666 105 V HN 0.203 nan 8.190 nan 0.000 0.456 106 F N 0.015 119.701 119.950 -0.439 0.000 2.692 106 F HA 0.287 4.817 4.527 0.004 0.000 0.303 106 F C 0.991 176.357 175.800 -0.723 0.000 1.114 106 F CA -0.403 57.106 58.000 -0.819 0.000 1.361 106 F CB -0.009 38.174 39.000 -1.362 0.000 1.063 106 F HN -0.035 nan 8.300 nan 0.000 0.550 107 K N -0.468 119.780 120.400 -0.253 0.000 3.077 107 K HA -0.237 4.086 4.320 0.004 0.000 0.264 107 K C 0.177 176.776 176.600 -0.001 0.000 1.008 107 K CA 0.443 56.674 56.287 -0.093 0.000 0.740 107 K CB -2.759 29.713 32.500 -0.047 0.000 1.273 107 K HN 0.279 nan 8.250 nan 0.000 0.477 108 F N 0.554 120.566 119.950 0.104 0.000 2.743 108 F HA -0.002 4.528 4.527 0.004 0.000 0.297 108 F C 2.023 177.889 175.800 0.109 0.000 1.131 108 F CA 0.653 58.710 58.000 0.095 0.000 1.426 108 F CB -0.099 38.960 39.000 0.098 0.000 1.116 108 F HN 0.209 nan 8.300 nan 0.000 0.583 109 D N -0.733 119.832 120.400 0.275 0.000 2.317 109 D HA -0.122 4.520 4.640 0.004 0.000 0.211 109 D C 1.893 178.285 176.300 0.154 0.000 0.966 109 D CA 1.431 55.576 54.000 0.242 0.000 0.876 109 D CB -1.139 39.813 40.800 0.255 0.000 0.927 109 D HN 0.326 nan 8.370 nan 0.000 0.519 110 T N -0.972 113.650 114.554 0.114 0.000 2.942 110 T HA 0.032 4.384 4.350 0.004 0.000 0.265 110 T C 1.318 176.047 174.700 0.049 0.000 1.062 110 T CA -0.172 61.964 62.100 0.059 0.000 1.139 110 T CB -0.647 68.231 68.868 0.017 0.000 0.883 110 T HN 0.116 nan 8.240 nan 0.000 0.468 111 I N 3.024 123.643 120.570 0.081 0.000 2.668 111 I HA 0.022 4.195 4.170 0.004 0.000 0.285 111 I C 1.938 178.096 176.117 0.069 0.000 1.168 111 I CA -0.142 61.193 61.300 0.058 0.000 1.424 111 I CB 0.736 38.793 38.000 0.095 0.000 1.377 111 I HN 0.238 nan 8.210 nan 0.000 0.560 112 S N 5.233 120.956 115.700 0.038 0.000 2.392 112 S HA -0.199 4.273 4.470 0.004 0.000 0.225 112 S C 0.845 175.487 174.600 0.070 0.000 1.041 112 S CA 1.168 59.395 58.200 0.045 0.000 1.100 112 S CB -0.202 63.017 63.200 0.031 0.000 1.029 112 S HN 0.670 nan 8.310 nan 0.000 0.424 113 E N 1.698 121.955 120.200 0.095 0.000 2.905 113 E HA -0.009 4.344 4.350 0.004 0.000 0.240 113 E C 0.703 177.382 176.600 0.131 0.000 0.990 113 E CA 0.528 57.015 56.400 0.144 0.000 0.954 113 E CB 0.202 30.070 29.700 0.280 0.000 0.908 113 E HN 0.551 nan 8.360 nan 0.000 0.532 114 K N 2.422 122.870 120.400 0.080 0.000 2.469 114 K HA 0.032 4.354 4.320 0.004 0.000 0.201 114 K C 0.585 177.202 176.600 0.029 0.000 1.028 114 K CA 0.597 56.908 56.287 0.040 0.000 1.170 114 K CB -0.074 32.422 32.500 -0.007 0.000 0.874 114 K HN 0.557 nan 8.250 nan 0.000 0.507 115 T N -4.088 110.502 114.554 0.061 0.000 2.888 115 T HA 0.382 4.735 4.350 0.004 0.000 0.284 115 T C 1.094 175.849 174.700 0.093 0.000 1.017 115 T CA 0.013 62.147 62.100 0.057 0.000 1.022 115 T CB 1.880 70.770 68.868 0.037 0.000 1.013 115 T HN -0.018 nan 8.240 nan 0.000 0.465 116 S N 1.478 117.255 115.700 0.129 0.000 2.374 116 S HA -0.167 4.306 4.470 0.004 0.000 0.227 116 S C 1.912 176.565 174.600 0.088 0.000 1.037 116 S CA 1.836 60.121 58.200 0.142 0.000 1.024 116 S CB -0.489 62.824 63.200 0.188 0.000 0.861 116 S HN 0.980 nan 8.310 nan 0.000 0.456 117 D N 0.655 121.126 120.400 0.117 0.000 2.264 117 D HA -0.145 4.497 4.640 0.004 0.000 0.208 117 D C 1.695 178.023 176.300 0.046 0.000 0.966 117 D CA 0.797 54.890 54.000 0.155 0.000 0.864 117 D CB -0.492 40.362 40.800 0.090 0.000 0.933 117 D HN 0.397 nan 8.370 nan 0.000 0.499 118 Q N -0.273 119.511 119.800 -0.027 0.000 2.119 118 Q HA -0.043 4.299 4.340 0.004 0.000 0.201 118 Q C 2.228 178.079 176.000 -0.248 0.000 0.972 118 Q CA 0.831 56.538 55.803 -0.160 0.000 0.847 118 Q CB -0.094 28.643 28.738 -0.001 0.000 0.903 118 Q HN 0.222 nan 8.270 nan 0.000 0.433 119 I N 0.244 120.760 120.570 -0.089 0.000 2.151 119 I HA -0.350 3.823 4.170 0.004 0.000 0.243 119 I C 2.074 178.093 176.117 -0.163 0.000 1.080 119 I CA 1.527 62.762 61.300 -0.109 0.000 1.339 119 I CB -0.433 37.370 38.000 -0.329 0.000 1.039 119 I HN 0.330 nan 8.210 nan 0.000 0.409 120 H N -0.948 118.105 119.070 -0.028 0.000 2.319 120 H HA -0.233 4.325 4.556 0.004 0.000 0.299 120 H C 2.216 177.497 175.328 -0.079 0.000 1.092 120 H CA 1.990 58.033 56.048 -0.009 0.000 1.302 120 H CB -0.876 28.872 29.762 -0.023 0.000 1.373 120 H HN 0.325 nan 8.280 nan 0.000 0.497 121 F N 1.723 121.559 119.950 -0.191 0.000 2.043 121 F HA -0.294 4.236 4.527 0.004 0.000 0.297 121 F C 2.165 177.854 175.800 -0.185 0.000 1.118 121 F CA 1.490 59.313 58.000 -0.295 0.000 1.202 121 F CB -0.727 37.962 39.000 -0.518 0.000 0.965 121 F HN -0.076 nan 8.300 nan 0.000 0.482 122 F N -0.961 119.011 119.950 0.038 0.000 2.216 122 F HA -0.137 4.393 4.527 0.004 0.000 0.300 122 F C 2.245 178.018 175.800 -0.044 0.000 1.085 122 F CA 0.741 58.704 58.000 -0.062 0.000 1.326 122 F CB -1.710 37.309 39.000 0.030 0.000 1.027 122 F HN 0.003 nan 8.300 nan 0.000 0.497 123 F N 0.841 120.811 119.950 0.033 0.000 2.146 123 F HA -0.080 4.450 4.527 0.004 0.000 0.298 123 F C 2.424 178.203 175.800 -0.035 0.000 1.096 123 F CA 0.767 58.791 58.000 0.038 0.000 1.275 123 F CB -0.963 38.097 39.000 0.099 0.000 1.008 123 F HN -0.044 nan 8.300 nan 0.000 0.480 124 A N 0.012 122.854 122.820 0.037 0.000 1.902 124 A HA -0.189 4.133 4.320 0.004 0.000 0.217 124 A C 2.364 179.900 177.584 -0.080 0.000 1.181 124 A CA 1.531 53.504 52.037 -0.107 0.000 0.623 124 A CB -0.522 18.320 19.000 -0.265 0.000 0.818 124 A HN 0.195 nan 8.150 nan 0.000 0.443 125 K N -0.618 119.683 120.400 -0.165 0.000 2.009 125 K HA -0.160 4.162 4.320 0.004 0.000 0.210 125 K C 1.965 178.552 176.600 -0.022 0.000 1.049 125 K CA 1.488 57.696 56.287 -0.131 0.000 0.929 125 K CB -0.956 31.451 32.500 -0.155 0.000 0.714 125 K HN 0.468 nan 8.250 nan 0.000 0.440 126 L N 2.422 123.660 121.223 0.025 0.000 2.012 126 L HA -0.197 4.145 4.340 0.004 0.000 0.210 126 L C 1.607 178.493 176.870 0.028 0.000 1.073 126 L CA 1.857 56.711 54.840 0.024 0.000 0.748 126 L CB -0.792 41.266 42.059 -0.001 0.000 0.891 126 L HN 0.139 nan 8.230 nan 0.000 0.431 127 N N -0.744 118.042 118.700 0.144 0.000 2.166 127 N HA -0.179 4.563 4.740 0.004 0.000 0.186 127 N C 1.930 177.503 175.510 0.106 0.000 1.019 127 N CA 1.696 54.858 53.050 0.186 0.000 0.856 127 N CB -0.974 37.766 38.487 0.422 0.000 0.993 127 N HN 0.459 nan 8.380 nan 0.000 0.426 128 c N 1.565 120.206 118.600 0.067 0.000 2.413 128 c HA -0.037 4.536 4.570 0.004 0.000 0.276 128 c C 2.566 176.663 174.090 0.012 0.000 1.236 128 c CA 0.405 56.761 56.329 0.046 0.000 1.735 128 c CB -0.676 41.838 42.510 0.007 0.000 2.031 128 c HN 0.478 nan 8.230 nan 0.000 0.474 129 R N 0.869 121.356 120.500 -0.022 0.000 2.092 129 R HA -0.013 4.329 4.340 0.004 0.000 0.231 129 R C 2.053 178.306 176.300 -0.079 0.000 1.119 129 R CA 1.078 57.160 56.100 -0.031 0.000 0.970 129 R CB -1.041 29.247 30.300 -0.022 0.000 0.864 129 R HN 0.514 nan 8.270 nan 0.000 0.440 130 L N -0.184 120.910 121.223 -0.214 0.000 1.988 130 L HA -0.165 4.177 4.340 0.004 0.000 0.207 130 L C 2.088 178.775 176.870 -0.305 0.000 1.071 130 L CA 1.585 56.184 54.840 -0.401 0.000 0.744 130 L CB -0.436 41.059 42.059 -0.939 0.000 0.893 130 L HN 0.107 nan 8.230 nan 0.000 0.433 131 Y N -2.310 118.044 120.300 0.090 0.000 2.497 131 Y HA 0.118 4.671 4.550 0.004 0.000 0.265 131 Y C 1.335 177.276 175.900 0.068 0.000 1.111 131 Y CA -0.314 57.839 58.100 0.088 0.000 1.288 131 Y CB -0.182 38.333 38.460 0.092 0.000 1.082 131 Y HN -0.203 nan 8.280 nan 0.000 0.536 132 R N 1.801 122.393 120.500 0.153 0.000 2.408 132 R HA 0.570 4.913 4.340 0.004 0.000 0.308 132 R C -1.032 175.314 176.300 0.076 0.000 1.210 132 R CA -0.616 55.548 56.100 0.107 0.000 1.115 132 R CB -0.893 29.454 30.300 0.079 0.000 1.127 132 R HN 0.295 nan 8.270 nan 0.000 0.523 133 K N 0.405 120.855 120.400 0.084 0.000 2.841 133 K HA 0.363 4.686 4.320 0.004 0.000 0.298 133 K C -1.824 174.822 176.600 0.077 0.000 1.137 133 K CA 0.176 56.505 56.287 0.070 0.000 0.937 133 K CB 1.359 33.898 32.500 0.065 0.000 1.377 133 K HN 0.452 nan 8.250 nan 0.000 0.390 134 A N 3.284 126.141 122.820 0.062 0.000 2.802 134 A HA 0.530 4.853 4.320 0.004 0.000 0.344 134 A C -0.865 176.751 177.584 0.053 0.000 1.215 134 A CA -0.488 51.583 52.037 0.056 0.000 0.821 134 A CB -0.168 18.858 19.000 0.044 0.000 1.099 134 A HN 0.590 nan 8.150 nan 0.000 0.479 135 N N 0.391 119.129 118.700 0.063 0.000 2.485 135 N HA 0.292 5.035 4.740 0.004 0.000 0.280 135 N C -0.021 175.526 175.510 0.062 0.000 1.205 135 N CA -0.642 52.446 53.050 0.063 0.000 0.959 135 N CB 0.898 39.430 38.487 0.075 0.000 1.206 135 N HN 0.466 nan 8.380 nan 0.000 0.545 136 K N 0.953 121.392 120.400 0.065 0.000 2.321 136 K HA -0.097 4.226 4.320 0.004 0.000 0.266 136 K C -0.773 175.872 176.600 0.074 0.000 1.215 136 K CA 0.423 56.750 56.287 0.066 0.000 1.225 136 K CB -0.678 31.866 32.500 0.074 0.000 0.827 136 K HN 0.654 nan 8.250 nan 0.000 0.478 137 S N 2.483 118.213 115.700 0.050 0.000 3.315 137 S HA -0.182 4.290 4.470 0.004 0.000 0.294 137 S C -0.443 174.172 174.600 0.025 0.000 0.856 137 S CA 0.882 59.099 58.200 0.029 0.000 1.370 137 S CB -0.792 62.434 63.200 0.043 0.000 1.080 137 S HN 0.643 nan 8.310 nan 0.000 0.483 138 S N 0.723 116.421 115.700 -0.004 0.000 2.908 138 S HA 0.127 4.599 4.470 0.004 0.000 0.140 138 S C -0.369 174.243 174.600 0.019 0.000 0.890 138 S CA -0.785 57.415 58.200 -0.001 0.000 0.995 138 S CB 0.483 63.773 63.200 0.151 0.000 1.660 138 S HN 0.648 nan 8.310 nan 0.000 0.507 139 K N 2.498 122.846 120.400 -0.087 0.000 2.349 139 K HA 0.371 4.694 4.320 0.004 0.000 0.289 139 K C -0.990 175.671 176.600 0.101 0.000 1.064 139 K CA -0.258 56.036 56.287 0.011 0.000 0.947 139 K CB 0.359 32.863 32.500 0.007 0.000 1.007 139 K HN 0.355 nan 8.250 nan 0.000 0.478 140 L N 6.874 128.231 121.223 0.223 0.000 2.442 140 L HA 0.278 4.620 4.340 0.004 0.000 0.261 140 L C -1.065 176.042 176.870 0.394 0.000 1.000 140 L CA -0.630 54.424 54.840 0.357 0.000 0.882 140 L CB 1.389 43.674 42.059 0.377 0.000 1.207 140 L HN 0.421 nan 8.230 nan 0.000 0.443 141 V N 1.095 121.201 119.914 0.321 0.000 3.096 141 V HA 0.999 5.121 4.120 0.004 0.000 0.319 141 V C -0.269 175.783 176.094 -0.069 0.000 1.103 141 V CA -0.503 61.893 62.300 0.161 0.000 1.016 141 V CB 1.780 33.661 31.823 0.096 0.000 1.090 141 V HN 0.744 nan 8.190 nan 0.000 0.449 142 S N 0.427 115.922 115.700 -0.341 0.000 2.537 142 S HA 0.841 5.314 4.470 0.004 0.000 0.271 142 S C -1.005 173.446 174.600 -0.248 0.000 1.148 142 S CA 0.098 58.029 58.200 -0.448 0.000 0.868 142 S CB 1.535 64.066 63.200 -1.116 0.000 1.115 142 S HN 2.314 nan 8.310 nan 0.000 0.461 143 A N 3.435 126.193 122.820 -0.103 0.000 2.408 143 A HA 0.753 5.075 4.320 0.004 0.000 0.295 143 A C -1.009 176.709 177.584 0.222 0.000 1.040 143 A CA -0.806 51.261 52.037 0.051 0.000 0.707 143 A CB 0.994 20.002 19.000 0.012 0.000 1.235 143 A HN 0.829 nan 8.150 nan 0.000 0.418 144 N N 0.599 119.404 118.700 0.175 0.000 2.370 144 N HA 0.800 5.543 4.740 0.004 0.000 0.303 144 N C -0.473 175.005 175.510 -0.052 0.000 1.103 144 N CA -0.731 52.371 53.050 0.087 0.000 0.848 144 N CB 1.863 40.349 38.487 -0.002 0.000 1.235 144 N HN 0.711 nan 8.380 nan 0.000 0.496 145 R N 1.650 121.984 120.500 -0.277 0.000 2.604 145 R HA 0.374 4.717 4.340 0.004 0.000 0.261 145 R C -2.059 173.852 176.300 -0.649 0.000 1.080 145 R CA -0.544 55.151 56.100 -0.676 0.000 0.917 145 R CB 0.983 30.415 30.300 -1.446 0.000 1.252 145 R HN 0.449 nan 8.270 nan 0.000 0.456 146 L N 4.053 124.869 121.223 -0.679 0.000 2.307 146 L HA 0.575 4.918 4.340 0.004 0.000 0.284 146 L C -0.954 175.533 176.870 -0.639 0.000 1.023 146 L CA -0.662 53.884 54.840 -0.490 0.000 0.810 146 L CB 1.315 43.142 42.059 -0.387 0.000 1.231 146 L HN 0.507 nan 8.230 nan 0.000 0.423 147 F N 1.204 121.034 119.950 -0.201 0.000 2.430 147 F HA 0.575 5.104 4.527 0.004 0.000 0.362 147 F C 0.746 176.544 175.800 -0.003 0.000 1.103 147 F CA -0.605 57.312 58.000 -0.139 0.000 1.045 147 F CB 1.655 40.632 39.000 -0.039 0.000 1.276 147 F HN 0.432 nan 8.300 nan 0.000 0.444 148 G N 1.200 109.975 108.800 -0.043 0.000 2.441 148 G HA2 0.351 4.314 3.960 0.004 0.000 0.334 148 G HA3 0.351 4.314 3.960 0.004 0.000 0.334 148 G C -1.334 173.645 174.900 0.131 0.000 1.161 148 G CA -0.682 44.476 45.100 0.097 0.000 0.935 148 G HN 0.455 nan 8.290 nan 0.000 0.488 149 D N -0.384 120.244 120.400 0.380 0.000 2.488 149 D HA 0.000 4.643 4.640 0.004 0.000 0.238 149 D C 1.500 177.866 176.300 0.110 0.000 1.138 149 D CA 0.263 54.337 54.000 0.125 0.000 0.873 149 D CB 1.020 41.965 40.800 0.242 0.000 1.183 149 D HN 0.363 nan 8.370 nan 0.000 0.458 150 K N 1.126 121.506 120.400 -0.033 0.000 2.147 150 K HA -0.141 4.182 4.320 0.004 0.000 0.205 150 K C 1.726 178.333 176.600 0.012 0.000 1.049 150 K CA 1.341 57.619 56.287 -0.015 0.000 0.936 150 K CB 0.048 32.511 32.500 -0.062 0.000 0.722 150 K HN 0.474 nan 8.250 nan 0.000 0.446 151 S N -0.289 115.414 115.700 0.005 0.000 2.528 151 S HA 0.091 4.564 4.470 0.004 0.000 0.219 151 S C 0.682 175.259 174.600 -0.039 0.000 0.985 151 S CA -0.320 57.874 58.200 -0.011 0.000 0.914 151 S CB -0.189 63.006 63.200 -0.009 0.000 0.776 151 S HN 0.093 nan 8.310 nan 0.000 0.526 152 L N 1.482 122.664 121.223 -0.069 0.000 2.421 152 L HA 0.416 4.759 4.340 0.004 0.000 0.263 152 L C -0.110 176.608 176.870 -0.253 0.000 1.122 152 L CA -0.527 54.174 54.840 -0.231 0.000 0.804 152 L CB 0.864 42.638 42.059 -0.475 0.000 1.150 152 L HN -0.002 nan 8.230 nan 0.000 0.457 153 T N 1.664 116.036 114.554 -0.303 0.000 2.853 153 T HA 0.431 4.784 4.350 0.004 0.000 0.317 153 T C -0.368 174.190 174.700 -0.236 0.000 1.059 153 T CA -0.275 61.723 62.100 -0.171 0.000 0.954 153 T CB -0.179 68.634 68.868 -0.092 0.000 0.994 153 T HN 0.087 nan 8.240 nan 0.000 0.479 154 F N 2.847 122.803 119.950 0.010 0.000 2.389 154 F HA 0.267 4.797 4.527 0.004 0.000 0.337 154 F C 1.321 177.147 175.800 0.043 0.000 1.112 154 F CA -0.955 57.066 58.000 0.034 0.000 1.192 154 F CB 0.573 39.615 39.000 0.069 0.000 1.185 154 F HN 0.383 nan 8.300 nan 0.000 0.552 155 N N 2.433 121.279 118.700 0.243 0.000 2.440 155 N HA -0.103 4.640 4.740 0.004 0.000 0.265 155 N C 0.998 176.617 175.510 0.183 0.000 1.239 155 N CA 0.187 53.335 53.050 0.162 0.000 0.909 155 N CB 0.770 39.331 38.487 0.122 0.000 1.066 155 N HN 0.743 nan 8.380 nan 0.000 0.474 156 E N 2.941 123.203 120.200 0.103 0.000 2.085 156 E HA -0.148 4.204 4.350 0.004 0.000 0.194 156 E C 1.142 177.766 176.600 0.040 0.000 0.994 156 E CA 1.947 58.382 56.400 0.059 0.000 0.801 156 E CB -0.080 29.639 29.700 0.032 0.000 0.743 156 E HN 0.714 nan 8.360 nan 0.000 0.453 157 T N -0.231 114.354 114.554 0.052 0.000 2.708 157 T HA -0.199 4.154 4.350 0.004 0.000 0.266 157 T C 1.455 176.179 174.700 0.041 0.000 1.037 157 T CA 1.465 63.585 62.100 0.034 0.000 1.146 157 T CB -0.719 68.173 68.868 0.039 0.000 0.865 157 T HN 0.352 nan 8.240 nan 0.000 0.435 158 Y N 1.868 122.151 120.300 -0.027 0.000 2.114 158 Y HA -0.238 4.314 4.550 0.004 0.000 0.282 158 Y C 2.565 178.426 175.900 -0.065 0.000 1.165 158 Y CA 1.577 59.651 58.100 -0.044 0.000 1.148 158 Y CB -0.588 37.862 38.460 -0.017 0.000 0.972 158 Y HN 0.233 nan 8.280 nan 0.000 0.504 159 Q N -0.215 119.450 119.800 -0.225 0.000 2.061 159 Q HA -0.218 4.125 4.340 0.004 0.000 0.204 159 Q C 1.844 177.685 176.000 -0.264 0.000 0.984 159 Q CA 1.804 57.416 55.803 -0.319 0.000 0.846 159 Q CB -0.178 28.483 28.738 -0.129 0.000 0.902 159 Q HN 0.563 nan 8.270 nan 0.000 0.421 160 D N 0.180 120.485 120.400 -0.158 0.000 2.144 160 D HA -0.105 4.538 4.640 0.004 0.000 0.200 160 D C 1.795 178.009 176.300 -0.143 0.000 0.978 160 D CA 0.918 54.842 54.000 -0.127 0.000 0.833 160 D CB -0.071 40.683 40.800 -0.076 0.000 0.961 160 D HN 0.289 nan 8.370 nan 0.000 0.470 161 I N 0.642 121.117 120.570 -0.158 0.000 2.439 161 I HA -0.168 4.005 4.170 0.004 0.000 0.251 161 I C 2.160 178.158 176.117 -0.199 0.000 1.139 161 I CA 0.557 61.761 61.300 -0.159 0.000 1.438 161 I CB 0.028 37.949 38.000 -0.132 0.000 1.085 161 I HN -0.137 nan 8.210 nan 0.000 0.427 162 S N 0.126 115.657 115.700 -0.282 0.000 2.387 162 S HA -0.195 4.277 4.470 0.004 0.000 0.226 162 S C 1.910 176.412 174.600 -0.164 0.000 1.026 162 S CA 1.159 59.215 58.200 -0.240 0.000 0.972 162 S CB -0.141 62.754 63.200 -0.507 0.000 0.814 162 S HN 0.456 nan 8.310 nan 0.000 0.477 163 E N 0.680 120.762 120.200 -0.196 0.000 2.072 163 E HA -0.090 4.263 4.350 0.004 0.000 0.190 163 E C 2.011 178.538 176.600 -0.121 0.000 0.982 163 E CA 0.665 56.974 56.400 -0.152 0.000 0.803 163 E CB -0.100 29.508 29.700 -0.153 0.000 0.755 163 E HN 0.326 nan 8.360 nan 0.000 0.453 164 L N -0.016 121.129 121.223 -0.129 0.000 2.023 164 L HA -0.088 4.255 4.340 0.004 0.000 0.205 164 L C 2.152 178.926 176.870 -0.160 0.000 1.073 164 L CA 1.319 56.089 54.840 -0.116 0.000 0.745 164 L CB -0.294 41.706 42.059 -0.099 0.000 0.900 164 L HN 0.051 nan 8.230 nan 0.000 0.435 165 V N -1.334 118.432 119.914 -0.246 0.000 2.346 165 V HA -0.216 3.906 4.120 0.004 0.000 0.244 165 V C 1.763 177.488 176.094 -0.615 0.000 1.037 165 V CA 1.652 63.674 62.300 -0.464 0.000 1.029 165 V CB -0.694 30.742 31.823 -0.645 0.000 0.663 165 V HN 0.442 nan 8.190 nan 0.000 0.454 166 Y N 0.149 120.376 120.300 -0.123 0.000 2.467 166 Y HA 0.510 5.063 4.550 0.004 0.000 0.250 166 Y C 1.778 177.614 175.900 -0.107 0.000 1.155 166 Y CA 0.041 58.066 58.100 -0.125 0.000 1.249 166 Y CB 0.041 38.389 38.460 -0.186 0.000 1.146 166 Y HN 0.310 nan 8.280 nan 0.000 0.524 167 G N 1.111 109.898 108.800 -0.021 0.000 2.273 167 G HA2 -0.130 3.832 3.960 0.004 0.000 0.280 167 G HA3 -0.130 3.832 3.960 0.004 0.000 0.280 167 G C 0.012 174.880 174.900 -0.054 0.000 1.047 167 G CA 0.213 45.293 45.100 -0.034 0.000 0.869 167 G HN 0.624 nan 8.290 nan 0.000 0.502 168 A N 0.188 122.949 122.820 -0.098 0.000 2.273 168 A HA 0.707 5.030 4.320 0.004 0.000 0.320 168 A C 0.535 177.963 177.584 -0.259 0.000 1.358 168 A CA -0.418 51.506 52.037 -0.188 0.000 0.910 168 A CB 0.598 19.473 19.000 -0.207 0.000 1.159 168 A HN 0.420 nan 8.150 nan 0.000 0.526 169 K N 1.249 121.481 120.400 -0.281 0.000 2.154 169 K HA 0.390 4.713 4.320 0.004 0.000 0.264 169 K C -0.648 175.706 176.600 -0.410 0.000 1.008 169 K CA -0.303 55.808 56.287 -0.293 0.000 0.937 169 K CB 1.358 33.716 32.500 -0.236 0.000 1.002 169 K HN 0.641 nan 8.250 nan 0.000 0.469 170 L N 2.786 123.789 121.223 -0.365 0.000 2.270 170 L HA 0.120 4.462 4.340 0.004 0.000 0.286 170 L C -0.388 176.256 176.870 -0.378 0.000 1.059 170 L CA -0.142 54.447 54.840 -0.420 0.000 0.839 170 L CB 0.640 42.465 42.059 -0.390 0.000 1.221 170 L HN 0.521 nan 8.230 nan 0.000 0.431 171 Q N 6.428 125.935 119.800 -0.488 0.000 2.294 171 Q HA 0.354 4.696 4.340 0.004 0.000 0.257 171 Q C -2.331 173.543 176.000 -0.210 0.000 0.955 171 Q CA -1.865 53.732 55.803 -0.342 0.000 0.936 171 Q CB 1.380 29.872 28.738 -0.409 0.000 1.188 171 Q HN 0.354 nan 8.270 nan 0.000 0.420 172 P HA 0.174 nan 4.420 nan 0.000 0.276 172 P C -1.036 176.174 177.300 -0.151 0.000 1.235 172 P CA 0.210 63.236 63.100 -0.122 0.000 0.772 172 P CB 0.577 32.232 31.700 -0.076 0.000 0.871 173 L N 2.246 123.295 121.223 -0.289 0.000 2.422 173 L HA 0.360 4.703 4.340 0.004 0.000 0.264 173 L C -0.131 176.428 176.870 -0.518 0.000 0.984 173 L CA -0.879 53.714 54.840 -0.411 0.000 0.819 173 L CB 2.547 44.268 42.059 -0.563 0.000 1.330 173 L HN 0.197 nan 8.230 nan 0.000 0.410 174 D N 1.431 121.653 120.400 -0.296 0.000 2.470 174 D HA 0.152 4.795 4.640 0.004 0.000 0.226 174 D C 0.499 176.750 176.300 -0.081 0.000 1.196 174 D CA 0.036 53.939 54.000 -0.162 0.000 0.979 174 D CB 0.385 41.145 40.800 -0.066 0.000 1.059 174 D HN 0.190 nan 8.370 nan 0.000 0.515 175 F N 2.125 122.091 119.950 0.026 0.000 2.270 175 F HA 0.104 4.634 4.527 0.004 0.000 0.295 175 F C 2.317 178.126 175.800 0.015 0.000 1.087 175 F CA 0.420 58.431 58.000 0.018 0.000 1.365 175 F CB -0.407 38.609 39.000 0.027 0.000 1.056 175 F HN 0.275 nan 8.300 nan 0.000 0.506 176 K N 0.270 120.789 120.400 0.197 0.000 2.001 176 K HA -0.248 4.074 4.320 0.004 0.000 0.214 176 K C 1.956 178.603 176.600 0.078 0.000 1.050 176 K CA 2.183 58.538 56.287 0.112 0.000 0.934 176 K CB -0.123 32.421 32.500 0.073 0.000 0.718 176 K HN 0.089 nan 8.250 nan 0.000 0.443 177 E N -1.030 119.206 120.200 0.060 0.000 2.307 177 E HA 0.058 4.410 4.350 0.004 0.000 0.195 177 E C -0.261 176.365 176.600 0.043 0.000 0.975 177 E CA 0.291 56.716 56.400 0.041 0.000 0.878 177 E CB 0.580 30.294 29.700 0.023 0.000 0.845 177 E HN 0.087 nan 8.360 nan 0.000 0.488 178 N N -0.585 118.148 118.700 0.054 0.000 2.679 178 N HA 0.288 5.031 4.740 0.004 0.000 0.302 178 N C -0.048 175.513 175.510 0.084 0.000 1.941 178 N CA 0.315 53.395 53.050 0.050 0.000 0.875 178 N CB 0.758 39.259 38.487 0.024 0.000 1.278 178 N HN 0.111 nan 8.380 nan 0.000 0.490 179 A N 0.181 123.066 122.820 0.108 0.000 1.869 179 A HA -0.242 4.081 4.320 0.004 0.000 0.218 179 A C 2.015 179.656 177.584 0.094 0.000 1.203 179 A CA 1.913 54.032 52.037 0.138 0.000 0.638 179 A CB -0.444 18.605 19.000 0.081 0.000 0.831 179 A HN 0.502 nan 8.150 nan 0.000 0.450 180 E N -0.519 119.711 120.200 0.049 0.000 2.058 180 E HA -0.255 4.098 4.350 0.004 0.000 0.194 180 E C 2.212 178.827 176.600 0.024 0.000 0.997 180 E CA 1.821 58.236 56.400 0.025 0.000 0.801 180 E CB -0.321 29.386 29.700 0.012 0.000 0.746 180 E HN 0.695 nan 8.360 nan 0.000 0.450 181 Q N -0.262 119.554 119.800 0.027 0.000 2.077 181 Q HA -0.200 4.143 4.340 0.004 0.000 0.206 181 Q C 2.150 178.159 176.000 0.016 0.000 0.989 181 Q CA 2.243 58.056 55.803 0.016 0.000 0.853 181 Q CB -0.129 28.616 28.738 0.011 0.000 0.907 181 Q HN 0.308 nan 8.270 nan 0.000 0.418 182 S N 0.412 116.140 115.700 0.047 0.000 2.382 182 S HA -0.192 4.281 4.470 0.004 0.000 0.228 182 S C 1.765 176.390 174.600 0.042 0.000 1.027 182 S CA 1.354 59.590 58.200 0.060 0.000 0.991 182 S CB -0.371 62.944 63.200 0.192 0.000 0.823 182 S HN 0.387 nan 8.310 nan 0.000 0.469 183 R N 1.508 122.034 120.500 0.043 0.000 2.081 183 R HA -0.071 4.271 4.340 0.004 0.000 0.235 183 R C 2.400 178.667 176.300 -0.055 0.000 1.131 183 R CA 1.321 57.406 56.100 -0.026 0.000 0.960 183 R CB -0.525 29.756 30.300 -0.032 0.000 0.856 183 R HN 0.404 nan 8.270 nan 0.000 0.436 184 A N 0.809 123.610 122.820 -0.033 0.000 1.902 184 A HA -0.093 4.230 4.320 0.004 0.000 0.217 184 A C 2.379 179.945 177.584 -0.030 0.000 1.181 184 A CA 1.640 53.659 52.037 -0.030 0.000 0.623 184 A CB -0.797 18.193 19.000 -0.017 0.000 0.818 184 A HN 0.547 nan 8.150 nan 0.000 0.443 185 A N 0.097 122.897 122.820 -0.033 0.000 1.883 185 A HA -0.140 4.183 4.320 0.004 0.000 0.217 185 A C 2.130 179.675 177.584 -0.065 0.000 1.186 185 A CA 1.671 53.694 52.037 -0.023 0.000 0.624 185 A CB -0.668 18.317 19.000 -0.025 0.000 0.822 185 A HN 0.519 nan 8.150 nan 0.000 0.444 186 I N 0.003 120.427 120.570 -0.244 0.000 2.179 186 I HA -0.261 3.912 4.170 0.004 0.000 0.242 186 I C 2.043 178.111 176.117 -0.082 0.000 1.088 186 I CA 1.301 62.337 61.300 -0.439 0.000 1.357 186 I CB -0.528 37.093 38.000 -0.633 0.000 1.051 186 I HN 0.300 nan 8.210 nan 0.000 0.409 187 N N 0.921 119.587 118.700 -0.055 0.000 2.223 187 N HA -0.181 4.562 4.740 0.004 0.000 0.185 187 N C 1.763 177.283 175.510 0.017 0.000 1.016 187 N CA 1.117 54.161 53.050 -0.010 0.000 0.863 187 N CB -0.266 38.200 38.487 -0.035 0.000 0.983 187 N HN 0.365 nan 8.380 nan 0.000 0.429 188 K N -0.509 119.907 120.400 0.026 0.000 2.097 188 K HA -0.128 4.194 4.320 0.004 0.000 0.205 188 K C 1.913 178.556 176.600 0.071 0.000 1.050 188 K CA 0.615 56.919 56.287 0.028 0.000 0.938 188 K CB -0.104 32.413 32.500 0.028 0.000 0.718 188 K HN 0.186 nan 8.250 nan 0.000 0.442 189 W N 0.928 122.216 121.300 -0.020 0.000 2.355 189 W HA -0.219 4.443 4.660 0.004 0.000 0.309 189 W C 1.573 178.107 176.519 0.026 0.000 1.206 189 W CA 1.194 58.564 57.345 0.041 0.000 1.284 189 W CB -0.319 29.246 29.460 0.176 0.000 1.145 189 W HN -0.230 nan 8.180 nan 0.000 0.502 190 V N 0.099 120.109 119.914 0.159 0.000 2.343 190 V HA -0.339 3.783 4.120 0.004 0.000 0.247 190 V C 2.490 178.489 176.094 -0.159 0.000 1.051 190 V CA 2.149 64.435 62.300 -0.025 0.000 1.036 190 V CB -1.487 30.405 31.823 0.115 0.000 0.654 190 V HN 0.330 nan 8.190 nan 0.000 0.451 191 S N 0.228 115.861 115.700 -0.111 0.000 2.365 191 S HA -0.315 4.158 4.470 0.004 0.000 0.225 191 S C 2.122 176.594 174.600 -0.212 0.000 1.039 191 S CA 2.202 60.319 58.200 -0.137 0.000 1.033 191 S CB -0.697 62.446 63.200 -0.095 0.000 0.887 191 S HN 0.720 nan 8.310 nan 0.000 0.447 192 N N 0.450 119.000 118.700 -0.250 0.000 2.094 192 N HA -0.142 4.601 4.740 0.004 0.000 0.191 192 N C 1.258 176.530 175.510 -0.398 0.000 1.023 192 N CA 1.216 54.083 53.050 -0.305 0.000 0.857 192 N CB -0.150 38.149 38.487 -0.314 0.000 1.013 192 N HN 0.334 nan 8.380 nan 0.000 0.426 193 K N -0.035 120.048 120.400 -0.528 0.000 2.459 193 K HA 0.021 4.344 4.320 0.004 0.000 0.193 193 K C 1.096 177.488 176.600 -0.346 0.000 1.030 193 K CA 0.721 56.713 56.287 -0.492 0.000 1.026 193 K CB 0.191 32.276 32.500 -0.691 0.000 0.809 193 K HN 0.413 nan 8.250 nan 0.000 0.504 194 T N -1.387 112.991 114.554 -0.295 0.000 3.228 194 T HA 0.162 4.514 4.350 0.004 0.000 0.278 194 T C -0.073 174.416 174.700 -0.351 0.000 1.014 194 T CA -0.389 61.597 62.100 -0.189 0.000 0.904 194 T CB 0.193 69.056 68.868 -0.009 0.000 1.110 194 T HN -0.009 nan 8.240 nan 0.000 0.541 195 E N 0.784 120.699 120.200 -0.476 0.000 2.476 195 E HA -0.241 4.112 4.350 0.004 0.000 0.251 195 E C 1.193 177.626 176.600 -0.277 0.000 1.130 195 E CA 0.994 57.139 56.400 -0.425 0.000 0.736 195 E CB -1.998 27.341 29.700 -0.602 0.000 1.298 195 E HN 1.162 nan 8.360 nan 0.000 0.400 196 G N -0.285 108.375 108.800 -0.232 0.000 2.184 196 G HA2 -0.418 3.545 3.960 0.004 0.000 0.264 196 G HA3 -0.418 3.545 3.960 0.004 0.000 0.264 196 G C 1.055 175.822 174.900 -0.222 0.000 0.975 196 G CA 0.700 45.685 45.100 -0.191 0.000 0.642 196 G HN 0.265 nan 8.290 nan 0.000 0.536 197 R N -0.238 120.084 120.500 -0.296 0.000 2.075 197 R HA 0.200 4.543 4.340 0.004 0.000 0.226 197 R C 1.291 177.457 176.300 -0.223 0.000 1.114 197 R CA 0.809 56.623 56.100 -0.477 0.000 0.972 197 R CB -0.212 29.616 30.300 -0.786 0.000 0.869 197 R HN 0.451 nan 8.270 nan 0.000 0.437 198 I N 1.639 122.143 120.570 -0.109 0.000 2.291 198 I HA 0.128 4.300 4.170 0.004 0.000 0.290 198 I C 0.821 176.911 176.117 -0.045 0.000 1.050 198 I CA 0.244 61.527 61.300 -0.028 0.000 1.245 198 I CB 1.194 39.200 38.000 0.011 0.000 1.405 198 I HN -0.031 nan 8.210 nan 0.000 0.478 199 T N 3.333 117.868 114.554 -0.032 0.000 2.971 199 T HA 0.057 4.410 4.350 0.004 0.000 0.252 199 T C 0.157 174.839 174.700 -0.029 0.000 1.022 199 T CA 0.269 62.346 62.100 -0.037 0.000 0.980 199 T CB 0.220 69.065 68.868 -0.038 0.000 1.044 199 T HN 0.687 nan 8.240 nan 0.000 0.501 200 D N 0.725 121.111 120.400 -0.024 0.000 2.945 200 D HA 0.196 4.839 4.640 0.004 0.000 0.340 200 D C 1.198 177.465 176.300 -0.056 0.000 1.240 200 D CA -0.337 53.638 54.000 -0.041 0.000 0.749 200 D CB -0.522 40.255 40.800 -0.038 0.000 1.217 200 D HN 0.170 nan 8.370 nan 0.000 0.514 201 V N -1.149 118.742 119.914 -0.038 0.000 2.255 201 V HA -0.084 4.039 4.120 0.004 0.000 0.247 201 V C 1.232 177.260 176.094 -0.109 0.000 1.051 201 V CA 0.855 63.139 62.300 -0.027 0.000 1.018 201 V CB -0.778 31.062 31.823 0.028 0.000 0.641 201 V HN 0.346 nan 8.190 nan 0.000 0.445 202 I N 3.807 124.294 120.570 -0.139 0.000 2.312 202 I HA 0.302 4.474 4.170 0.004 0.000 0.291 202 I C -2.209 173.696 176.117 -0.353 0.000 1.031 202 I CA -1.923 59.198 61.300 -0.297 0.000 1.293 202 I CB 1.173 39.094 38.000 -0.131 0.000 1.403 202 I HN 0.173 nan 8.210 nan 0.000 0.484 203 P HA 0.036 nan 4.420 nan 0.000 0.275 203 P C -0.140 177.014 177.300 -0.243 0.000 1.228 203 P CA -0.342 62.535 63.100 -0.370 0.000 0.786 203 P CB 1.044 32.483 31.700 -0.435 0.000 0.927 204 S N 1.659 117.278 115.700 -0.135 0.000 2.593 204 S HA -0.094 4.378 4.470 0.004 0.000 0.300 204 S C 0.746 175.310 174.600 -0.060 0.000 1.267 204 S CA 0.808 58.960 58.200 -0.080 0.000 1.065 204 S CB -0.928 62.243 63.200 -0.048 0.000 0.807 204 S HN 0.585 nan 8.310 nan 0.000 0.499 205 E N 0.945 121.122 120.200 -0.038 0.000 4.129 205 E HA -0.259 4.093 4.350 0.004 0.000 0.354 205 E C 0.956 177.559 176.600 0.006 0.000 0.673 205 E CA 0.824 57.217 56.400 -0.010 0.000 1.347 205 E CB -1.795 27.908 29.700 0.005 0.000 1.722 205 E HN 0.729 nan 8.360 nan 0.000 0.410 206 A N 0.381 123.198 122.820 -0.004 0.000 1.897 206 A HA 0.063 4.385 4.320 0.004 0.000 0.215 206 A C 1.109 178.704 177.584 0.018 0.000 1.181 206 A CA 0.820 52.901 52.037 0.074 0.000 0.620 206 A CB -0.001 19.085 19.000 0.143 0.000 0.821 206 A HN 0.255 nan 8.150 nan 0.000 0.443 207 I N 1.785 122.326 120.570 -0.048 0.000 2.352 207 I HA 0.160 4.332 4.170 0.004 0.000 0.290 207 I C 0.121 176.194 176.117 -0.074 0.000 1.036 207 I CA -0.574 60.645 61.300 -0.134 0.000 1.336 207 I CB 0.595 38.492 38.000 -0.173 0.000 1.407 207 I HN 0.559 nan 8.210 nan 0.000 0.497 208 N N 4.766 123.419 118.700 -0.078 0.000 3.294 208 N HA 0.248 4.991 4.740 0.004 0.000 0.355 208 N C 0.457 175.973 175.510 0.010 0.000 1.497 208 N CA -0.628 52.413 53.050 -0.015 0.000 0.707 208 N CB 0.364 38.853 38.487 0.003 0.000 1.732 208 N HN 0.329 nan 8.380 nan 0.000 0.640 209 E N -0.267 119.952 120.200 0.032 0.000 2.110 209 E HA -0.016 4.337 4.350 0.004 0.000 0.193 209 E C 1.162 177.795 176.600 0.055 0.000 0.988 209 E CA 1.051 57.482 56.400 0.052 0.000 0.804 209 E CB -0.168 29.558 29.700 0.043 0.000 0.745 209 E HN 0.498 nan 8.360 nan 0.000 0.458 210 L N 1.226 122.469 121.223 0.032 0.000 2.611 210 L HA 0.124 4.467 4.340 0.004 0.000 0.229 210 L C 0.552 177.418 176.870 -0.005 0.000 1.137 210 L CA -0.031 54.826 54.840 0.029 0.000 0.901 210 L CB -0.433 41.650 42.059 0.039 0.000 1.098 210 L HN -0.177 nan 8.230 nan 0.000 0.456 211 T N 0.433 114.955 114.554 -0.054 0.000 2.834 211 T HA 0.124 4.477 4.350 0.004 0.000 0.298 211 T C 1.324 176.015 174.700 -0.016 0.000 0.966 211 T CA -0.143 61.843 62.100 -0.191 0.000 1.141 211 T CB 2.465 70.998 68.868 -0.559 0.000 0.905 211 T HN -0.099 nan 8.240 nan 0.000 0.535 212 V N 3.299 123.215 119.914 0.004 0.000 2.403 212 V HA 0.288 4.410 4.120 0.004 0.000 0.239 212 V C 0.364 176.677 176.094 0.366 0.000 1.041 212 V CA 0.653 63.062 62.300 0.182 0.000 1.051 212 V CB -0.053 31.818 31.823 0.080 0.000 0.704 212 V HN 0.644 nan 8.190 nan 0.000 0.472 213 L N -0.701 120.628 121.223 0.178 0.000 2.445 213 L HA 0.653 4.995 4.340 0.004 0.000 0.262 213 L C -1.345 175.554 176.870 0.048 0.000 0.974 213 L CA -0.288 54.676 54.840 0.207 0.000 0.822 213 L CB 2.311 44.464 42.059 0.156 0.000 1.339 213 L HN -0.110 nan 8.230 nan 0.000 0.409 214 V N 5.494 125.485 119.914 0.129 0.000 2.376 214 V HA 0.450 4.573 4.120 0.004 0.000 0.287 214 V C -0.642 175.507 176.094 0.092 0.000 1.015 214 V CA -0.406 61.935 62.300 0.068 0.000 0.834 214 V CB 1.421 33.299 31.823 0.093 0.000 1.001 214 V HN 0.539 nan 8.190 nan 0.000 0.428 215 L N 6.387 127.594 121.223 -0.025 0.000 2.257 215 L HA 0.562 4.905 4.340 0.004 0.000 0.290 215 L C -0.139 176.701 176.870 -0.049 0.000 1.044 215 L CA 0.022 54.815 54.840 -0.078 0.000 0.810 215 L CB 1.380 43.330 42.059 -0.180 0.000 1.193 215 L HN 0.358 nan 8.230 nan 0.000 0.425 216 V N 2.867 122.789 119.914 0.014 0.000 2.513 216 V HA 0.498 4.620 4.120 0.004 0.000 0.299 216 V C -0.289 175.851 176.094 0.078 0.000 1.035 216 V CA -0.722 61.638 62.300 0.099 0.000 0.889 216 V CB 2.016 34.014 31.823 0.291 0.000 0.988 216 V HN 0.817 nan 8.190 nan 0.000 0.440 217 N N 1.989 120.745 118.700 0.093 0.000 2.269 217 N HA 0.773 5.516 4.740 0.004 0.000 0.304 217 N C -0.785 174.810 175.510 0.141 0.000 1.072 217 N CA -0.304 52.802 53.050 0.093 0.000 0.802 217 N CB 2.232 40.734 38.487 0.026 0.000 1.348 217 N HN 0.842 nan 8.380 nan 0.000 0.484 218 T N 0.265 114.893 114.554 0.123 0.000 2.893 218 T HA 0.644 4.996 4.350 0.004 0.000 0.293 218 T C -0.538 174.194 174.700 0.054 0.000 1.027 218 T CA -0.645 61.506 62.100 0.084 0.000 0.988 218 T CB 0.675 69.553 68.868 0.018 0.000 1.043 218 T HN 0.352 nan 8.240 nan 0.000 0.461 219 I N 2.380 123.022 120.570 0.120 0.000 2.533 219 I HA 0.512 4.685 4.170 0.004 0.000 0.290 219 I C -1.530 174.804 176.117 0.363 0.000 1.056 219 I CA -1.045 60.356 61.300 0.169 0.000 1.057 219 I CB 2.255 40.328 38.000 0.122 0.000 1.240 219 I HN 0.764 nan 8.210 nan 0.000 0.423 220 Y N 7.165 127.601 120.300 0.227 0.000 2.391 220 Y HA 0.649 5.202 4.550 0.005 0.000 0.341 220 Y C -1.722 174.384 175.900 0.343 0.000 0.965 220 Y CA -1.105 57.142 58.100 0.244 0.000 1.067 220 Y CB 1.611 40.108 38.460 0.062 0.000 1.199 220 Y HN 0.446 nan 8.280 nan 0.000 0.450 221 F N 6.513 126.144 119.950 -0.532 0.000 2.556 221 F HA 0.692 5.221 4.527 0.004 0.000 0.314 221 F C -1.741 173.645 175.800 -0.690 0.000 1.106 221 F CA -0.746 57.028 58.000 -0.376 0.000 0.911 221 F CB 1.436 40.422 39.000 -0.022 0.000 1.190 221 F HN 0.343 nan 8.300 nan 0.000 0.448 222 K N 3.943 123.469 120.400 -1.455 0.000 2.615 222 K HA 0.558 4.880 4.320 0.004 0.000 0.249 222 K C -1.117 174.698 176.600 -1.308 0.000 0.977 222 K CA -0.599 54.979 56.287 -1.181 0.000 0.833 222 K CB 1.659 33.887 32.500 -0.454 0.000 1.208 222 K HN 0.951 nan 8.250 nan 0.000 0.443 223 G N 2.972 110.982 108.800 -1.317 0.000 2.571 223 G HA2 0.580 4.543 3.960 0.004 0.000 0.304 223 G HA3 0.580 4.543 3.960 0.004 0.000 0.304 223 G C -1.069 173.653 174.900 -0.298 0.000 1.314 223 G CA -0.657 43.943 45.100 -0.832 0.000 0.975 223 G HN 0.375 nan 8.290 nan 0.000 0.485 224 L N 1.171 122.384 121.223 -0.017 0.000 2.289 224 L HA 0.357 4.699 4.340 0.004 0.000 0.285 224 L C -0.041 177.022 176.870 0.322 0.000 1.049 224 L CA -0.782 54.110 54.840 0.088 0.000 0.804 224 L CB 1.220 43.331 42.059 0.088 0.000 1.195 224 L HN 0.600 nan 8.230 nan 0.000 0.428 225 W N 3.278 124.771 121.300 0.321 0.000 2.209 225 W HA -0.040 4.625 4.660 0.008 0.000 0.344 225 W C 1.542 178.132 176.519 0.117 0.000 1.285 225 W CA -0.215 57.236 57.345 0.177 0.000 1.267 225 W CB 0.638 30.174 29.460 0.128 0.000 1.167 225 W HN 0.591 nan 8.180 nan 0.000 0.574 226 K N 1.143 121.755 120.400 0.353 0.000 2.062 226 K HA -0.125 4.198 4.320 0.004 0.000 0.205 226 K C 0.887 177.547 176.600 0.099 0.000 1.051 226 K CA 1.246 57.643 56.287 0.183 0.000 0.941 226 K CB -0.039 32.532 32.500 0.118 0.000 0.719 226 K HN 0.243 nan 8.250 nan 0.000 0.440 227 S N 0.454 116.191 115.700 0.061 0.000 2.528 227 S HA 0.412 4.885 4.470 0.004 0.000 0.303 227 S C -0.486 174.087 174.600 -0.044 0.000 1.123 227 S CA -0.692 57.477 58.200 -0.051 0.000 1.138 227 S CB 0.822 63.891 63.200 -0.218 0.000 0.984 227 S HN 0.365 nan 8.310 nan 0.000 0.474 228 K N 3.230 123.673 120.400 0.071 0.000 2.187 228 K HA 0.559 4.881 4.320 0.004 0.000 0.247 228 K C -0.513 176.067 176.600 -0.033 0.000 1.019 228 K CA 0.115 56.511 56.287 0.180 0.000 0.893 228 K CB 0.005 32.655 32.500 0.250 0.000 1.025 228 K HN 0.623 nan 8.250 nan 0.000 0.500 229 F N 0.104 120.118 119.950 0.107 0.000 2.425 229 F HA 0.404 4.933 4.527 0.003 0.000 0.331 229 F C 0.911 176.761 175.800 0.083 0.000 1.085 229 F CA -0.373 57.653 58.000 0.043 0.000 1.028 229 F CB 2.338 41.358 39.000 0.033 0.000 1.177 229 F HN 0.393 nan 8.300 nan 0.000 0.487 230 S N 3.503 119.354 115.700 0.252 0.000 2.537 230 S HA 0.226 4.699 4.470 0.004 0.000 0.275 230 S C -1.691 173.020 174.600 0.186 0.000 1.272 230 S CA -1.056 57.254 58.200 0.184 0.000 1.050 230 S CB 1.453 64.736 63.200 0.138 0.000 0.961 230 S HN 0.365 nan 8.310 nan 0.000 0.496 231 P HA -0.072 nan 4.420 nan 0.000 0.218 231 P C 0.771 178.131 177.300 0.100 0.000 1.149 231 P CA 0.905 64.074 63.100 0.115 0.000 0.817 231 P CB 0.112 31.867 31.700 0.092 0.000 0.785 232 E N -0.286 119.971 120.200 0.095 0.000 2.219 232 E HA -0.167 4.186 4.350 0.004 0.000 0.198 232 E C 1.142 177.796 176.600 0.089 0.000 0.998 232 E CA 0.951 57.400 56.400 0.081 0.000 0.818 232 E CB -0.588 29.156 29.700 0.073 0.000 0.741 232 E HN 0.342 nan 8.360 nan 0.000 0.477 233 N N 0.194 118.974 118.700 0.133 0.000 2.336 233 N HA 0.004 4.747 4.740 0.004 0.000 0.189 233 N C -0.246 175.361 175.510 0.162 0.000 1.113 233 N CA 0.337 53.482 53.050 0.159 0.000 0.858 233 N CB 0.612 39.288 38.487 0.314 0.000 0.970 233 N HN -0.034 nan 8.380 nan 0.000 0.471 234 T N 1.504 116.137 114.554 0.132 0.000 2.869 234 T HA 0.373 4.725 4.350 0.004 0.000 0.295 234 T C 0.335 175.081 174.700 0.077 0.000 0.987 234 T CA -0.027 62.138 62.100 0.107 0.000 1.109 234 T CB 1.160 70.075 68.868 0.079 0.000 0.932 234 T HN -0.035 nan 8.240 nan 0.000 0.518 235 R N 1.683 122.228 120.500 0.075 0.000 2.744 235 R HA 0.451 4.794 4.340 0.004 0.000 0.279 235 R C -0.714 175.615 176.300 0.048 0.000 0.977 235 R CA -0.888 55.243 56.100 0.052 0.000 0.906 235 R CB 1.084 31.410 30.300 0.043 0.000 1.197 235 R HN 0.284 nan 8.270 nan 0.000 0.463 236 K N 1.898 122.321 120.400 0.038 0.000 2.185 236 K HA 0.229 4.552 4.320 0.004 0.000 0.271 236 K C -0.541 176.084 176.600 0.042 0.000 1.013 236 K CA -0.061 56.250 56.287 0.039 0.000 0.943 236 K CB 1.213 33.732 32.500 0.032 0.000 0.998 236 K HN 0.737 nan 8.250 nan 0.000 0.468 237 E N 2.784 123.017 120.200 0.055 0.000 2.352 237 E HA 0.190 4.543 4.350 0.004 0.000 0.280 237 E C -1.161 175.499 176.600 0.100 0.000 0.930 237 E CA -0.599 55.842 56.400 0.068 0.000 0.765 237 E CB 1.184 30.921 29.700 0.062 0.000 1.219 237 E HN 0.353 nan 8.360 nan 0.000 0.434 238 L N 3.993 125.283 121.223 0.112 0.000 2.410 238 L HA 0.286 4.628 4.340 0.004 0.000 0.273 238 L C -0.390 176.598 176.870 0.197 0.000 1.152 238 L CA -0.202 54.709 54.840 0.117 0.000 0.855 238 L CB 0.293 42.429 42.059 0.129 0.000 1.129 238 L HN 0.550 nan 8.230 nan 0.000 0.463 239 F N 3.571 123.511 119.950 -0.017 0.000 2.411 239 F HA 0.332 4.862 4.527 0.004 0.000 0.352 239 F C -0.688 175.077 175.800 -0.058 0.000 1.123 239 F CA -0.528 57.487 58.000 0.025 0.000 1.044 239 F CB 0.755 39.752 39.000 -0.004 0.000 1.135 239 F HN 0.200 nan 8.300 nan 0.000 0.461 240 Y N 5.708 125.716 120.300 -0.487 0.000 2.454 240 Y HA 0.323 4.876 4.550 0.005 0.000 0.345 240 Y C 0.272 175.982 175.900 -0.316 0.000 0.970 240 Y CA -0.626 57.304 58.100 -0.283 0.000 1.204 240 Y CB 0.556 38.884 38.460 -0.220 0.000 1.122 240 Y HN 0.477 nan 8.280 nan 0.000 0.514 241 K N 1.194 121.595 120.400 0.001 0.000 2.230 241 K HA 0.271 4.593 4.320 0.004 0.000 0.253 241 K C 1.053 177.683 176.600 0.048 0.000 1.008 241 K CA 0.385 56.726 56.287 0.090 0.000 0.910 241 K CB 0.538 33.111 32.500 0.123 0.000 0.994 241 K HN 0.737 nan 8.250 nan 0.000 0.495 242 A N 1.516 124.367 122.820 0.051 0.000 2.168 242 A HA -0.145 4.177 4.320 0.004 0.000 0.215 242 A C 1.334 178.937 177.584 0.032 0.000 1.152 242 A CA 1.556 53.612 52.037 0.032 0.000 0.716 242 A CB -0.566 18.452 19.000 0.030 0.000 0.794 242 A HN 0.882 nan 8.150 nan 0.000 0.465 243 D N -1.881 118.540 120.400 0.035 0.000 2.162 243 D HA 0.192 4.835 4.640 0.004 0.000 0.203 243 D C 1.355 177.675 176.300 0.033 0.000 0.967 243 D CA 1.615 55.632 54.000 0.028 0.000 0.840 243 D CB -0.489 40.326 40.800 0.025 0.000 0.972 243 D HN 0.676 nan 8.370 nan 0.000 0.482 244 G N -0.256 108.572 108.800 0.047 0.000 2.813 244 G HA2 -0.185 3.777 3.960 0.004 0.000 0.194 244 G HA3 -0.185 3.777 3.960 0.004 0.000 0.194 244 G C 0.119 175.053 174.900 0.055 0.000 1.010 244 G CA -0.127 45.016 45.100 0.070 0.000 0.771 244 G HN 0.346 nan 8.290 nan 0.000 0.485 245 E N 0.949 121.151 120.200 0.004 0.000 2.410 245 E HA 0.506 4.859 4.350 0.004 0.000 0.255 245 E C 0.396 176.889 176.600 -0.178 0.000 1.194 245 E CA 0.712 57.079 56.400 -0.055 0.000 0.955 245 E CB 0.757 30.440 29.700 -0.028 0.000 0.988 245 E HN 0.515 nan 8.360 nan 0.000 0.461 246 S N -0.371 115.178 115.700 -0.252 0.000 2.595 246 S HA 0.722 5.194 4.470 0.004 0.000 0.281 246 S C -0.644 173.854 174.600 -0.170 0.000 1.117 246 S CA -1.026 56.928 58.200 -0.410 0.000 0.873 246 S CB 1.064 63.765 63.200 -0.832 0.000 1.108 246 S HN 0.721 nan 8.310 nan 0.000 0.477 247 c N -0.681 117.869 118.600 -0.084 0.000 3.241 247 c HA 0.880 5.453 4.570 0.004 0.000 0.312 247 c C 0.120 174.222 174.090 0.020 0.000 1.350 247 c CA -0.791 55.529 56.329 -0.015 0.000 1.415 247 c CB 0.913 43.429 42.510 0.010 0.000 1.770 247 c HN 0.879 nan 8.230 nan 0.000 0.466 248 S N 0.401 116.107 115.700 0.011 0.000 2.565 248 S HA 0.730 5.203 4.470 0.004 0.000 0.274 248 S C -0.011 174.604 174.600 0.025 0.000 1.309 248 S CA 0.219 58.434 58.200 0.025 0.000 1.043 248 S CB 0.460 63.669 63.200 0.014 0.000 0.939 248 S HN 1.686 nan 8.310 nan 0.000 0.504 249 A N 3.137 125.984 122.820 0.046 0.000 2.449 249 A HA 0.680 5.002 4.320 0.004 0.000 0.302 249 A C -0.647 176.964 177.584 0.044 0.000 1.048 249 A CA -0.687 51.368 52.037 0.030 0.000 0.708 249 A CB 1.594 20.618 19.000 0.040 0.000 1.274 249 A HN 0.650 nan 8.150 nan 0.000 0.410 250 S N 3.251 118.975 115.700 0.040 0.000 2.434 250 S HA 0.380 4.853 4.470 0.004 0.000 0.318 250 S C -0.114 174.514 174.600 0.048 0.000 1.062 250 S CA -0.450 57.776 58.200 0.044 0.000 1.116 250 S CB 0.131 63.354 63.200 0.039 0.000 0.977 250 S HN 0.611 nan 8.310 nan 0.000 0.480 251 M N 4.206 123.842 119.600 0.060 0.000 2.120 251 M HA 0.340 4.822 4.480 0.004 0.000 0.354 251 M C -0.020 176.333 176.300 0.089 0.000 1.287 251 M CA 0.301 55.647 55.300 0.076 0.000 1.103 251 M CB 0.286 32.947 32.600 0.102 0.000 1.623 251 M HN 0.467 nan 8.290 nan 0.000 0.471 252 M N 3.055 122.658 119.600 0.006 0.000 2.291 252 M HA 0.382 4.865 4.480 0.004 0.000 0.324 252 M C -0.714 175.685 176.300 0.165 0.000 1.148 252 M CA -0.413 54.869 55.300 -0.031 0.000 1.104 252 M CB 0.935 33.235 32.600 -0.500 0.000 1.483 252 M HN 0.562 nan 8.290 nan 0.000 0.467 253 Y N 1.412 121.799 120.300 0.144 0.000 2.512 253 Y HA 0.564 5.115 4.550 0.001 0.000 0.348 253 Y C -1.329 174.664 175.900 0.155 0.000 0.990 253 Y CA -0.588 57.547 58.100 0.057 0.000 1.033 253 Y CB 1.778 40.245 38.460 0.012 0.000 1.259 253 Y HN 0.755 nan 8.280 nan 0.000 0.461 254 Q N 3.131 122.373 119.800 -0.930 0.000 2.617 254 Q HA 0.363 4.706 4.340 0.004 0.000 0.270 254 Q C -2.267 173.237 176.000 -0.825 0.000 0.967 254 Q CA -1.026 54.290 55.803 -0.811 0.000 0.887 254 Q CB 1.866 30.234 28.738 -0.617 0.000 1.516 254 Q HN 0.767 nan 8.270 nan 0.000 0.395 255 E N 0.808 120.686 120.200 -0.536 0.000 2.199 255 E HA 0.819 5.171 4.350 0.004 0.000 0.269 255 E C -0.832 175.678 176.600 -0.150 0.000 0.899 255 E CA -0.518 55.703 56.400 -0.300 0.000 0.772 255 E CB 1.782 31.364 29.700 -0.198 0.000 1.155 255 E HN 0.909 nan 8.360 nan 0.000 0.408 256 G N 1.045 109.808 108.800 -0.060 0.000 2.340 256 G HA2 0.194 4.156 3.960 0.004 0.000 0.299 256 G HA3 0.194 4.156 3.960 0.004 0.000 0.299 256 G C -1.549 173.249 174.900 -0.170 0.000 1.291 256 G CA -0.761 44.250 45.100 -0.149 0.000 0.841 256 G HN 0.308 nan 8.290 nan 0.000 0.500 257 K N 0.074 120.247 120.400 -0.378 0.000 2.264 257 K HA 0.719 5.041 4.320 0.004 0.000 0.277 257 K C -1.421 174.868 176.600 -0.517 0.000 1.067 257 K CA -0.391 55.719 56.287 -0.296 0.000 0.900 257 K CB 0.466 32.837 32.500 -0.215 0.000 1.124 257 K HN 0.364 nan 8.250 nan 0.000 0.469 258 F N 0.417 120.312 119.950 -0.091 0.000 2.576 258 F HA 0.473 5.000 4.527 0.001 0.000 0.313 258 F C 0.750 176.548 175.800 -0.003 0.000 1.078 258 F CA -1.296 56.661 58.000 -0.071 0.000 0.921 258 F CB 1.788 40.720 39.000 -0.112 0.000 1.232 258 F HN 0.237 nan 8.300 nan 0.000 0.459 259 R N 1.928 122.552 120.500 0.207 0.000 2.370 259 R HA 0.300 4.643 4.340 0.004 0.000 0.309 259 R C -1.408 175.017 176.300 0.210 0.000 1.059 259 R CA -0.106 56.087 56.100 0.156 0.000 0.981 259 R CB 0.365 30.728 30.300 0.106 0.000 0.972 259 R HN 0.661 nan 8.270 nan 0.000 0.437 260 Y N 1.690 122.008 120.300 0.028 0.000 2.615 260 Y HA 0.581 5.129 4.550 -0.004 0.000 0.341 260 Y C -1.417 174.467 175.900 -0.026 0.000 1.089 260 Y CA -1.462 56.634 58.100 -0.008 0.000 1.049 260 Y CB 1.944 40.396 38.460 -0.014 0.000 1.296 260 Y HN 0.522 nan 8.280 nan 0.000 0.470 261 R N 3.176 123.099 120.500 -0.961 0.000 2.560 261 R HA 0.344 4.687 4.340 0.004 0.000 0.267 261 R C -2.266 173.462 176.300 -0.952 0.000 1.150 261 R CA -0.642 55.001 56.100 -0.762 0.000 0.997 261 R CB 1.141 31.230 30.300 -0.352 0.000 1.250 261 R HN 0.830 nan 8.270 nan 0.000 0.433 262 R N 4.933 124.999 120.500 -0.723 0.000 2.230 262 R HA 0.358 4.700 4.340 0.004 0.000 0.337 262 R C -0.082 176.046 176.300 -0.287 0.000 1.063 262 R CA -0.480 55.362 56.100 -0.429 0.000 0.935 262 R CB 0.523 30.716 30.300 -0.179 0.000 1.121 262 R HN 0.557 nan 8.270 nan 0.000 0.486 263 V N 1.823 121.536 119.914 -0.334 0.000 3.185 263 V HA 0.242 4.365 4.120 0.004 0.000 0.305 263 V C 1.501 177.529 176.094 -0.110 0.000 1.090 263 V CA 0.342 62.508 62.300 -0.223 0.000 1.107 263 V CB 0.934 32.559 31.823 -0.330 0.000 1.061 263 V HN 0.843 nan 8.190 nan 0.000 0.480 264 A N 1.146 123.946 122.820 -0.033 0.000 2.139 264 A HA -0.132 4.190 4.320 0.004 0.000 0.221 264 A C 1.764 179.347 177.584 -0.002 0.000 1.159 264 A CA 1.669 53.701 52.037 -0.008 0.000 0.662 264 A CB -0.663 18.350 19.000 0.021 0.000 0.796 264 A HN 1.076 nan 8.150 nan 0.000 0.463 265 E N -1.693 118.507 120.200 -0.001 0.000 2.463 265 E HA 0.306 4.658 4.350 0.004 0.000 0.193 265 E C 1.031 177.622 176.600 -0.014 0.000 1.041 265 E CA 0.641 57.044 56.400 0.006 0.000 0.879 265 E CB -0.365 29.356 29.700 0.036 0.000 0.997 265 E HN 0.933 nan 8.360 nan 0.000 0.478 266 G N 1.326 110.101 108.800 -0.041 0.000 2.175 266 G HA2 -0.245 3.718 3.960 0.004 0.000 0.244 266 G HA3 -0.245 3.718 3.960 0.004 0.000 0.244 266 G C 0.305 175.162 174.900 -0.070 0.000 0.982 266 G CA 0.289 45.363 45.100 -0.043 0.000 0.641 266 G HN 0.292 nan 8.290 nan 0.000 0.527 267 T N 1.783 116.265 114.554 -0.121 0.000 2.814 267 T HA 0.484 4.837 4.350 0.004 0.000 0.297 267 T C 0.322 174.858 174.700 -0.274 0.000 0.956 267 T CA 0.271 62.261 62.100 -0.184 0.000 1.123 267 T CB 1.309 70.023 68.868 -0.257 0.000 0.902 267 T HN 0.442 nan 8.240 nan 0.000 0.528 268 Q N 1.808 121.497 119.800 -0.185 0.000 2.241 268 Q HA 0.555 4.898 4.340 0.004 0.000 0.254 268 Q C -0.877 174.997 176.000 -0.210 0.000 0.917 268 Q CA -0.760 54.938 55.803 -0.175 0.000 0.919 268 Q CB 1.720 30.505 28.738 0.078 0.000 1.237 268 Q HN 0.415 nan 8.270 nan 0.000 0.434 269 V N 3.956 123.685 119.914 -0.308 0.000 2.378 269 V HA 0.407 4.530 4.120 0.004 0.000 0.288 269 V C -0.955 175.108 176.094 -0.051 0.000 1.016 269 V CA -0.725 61.452 62.300 -0.205 0.000 0.840 269 V CB 1.267 32.908 31.823 -0.303 0.000 0.994 269 V HN 0.546 nan 8.190 nan 0.000 0.431 270 L N 4.162 125.419 121.223 0.057 0.000 2.365 270 L HA 0.689 5.031 4.340 0.004 0.000 0.273 270 L C -0.418 176.493 176.870 0.068 0.000 1.000 270 L CA -0.060 54.841 54.840 0.102 0.000 0.819 270 L CB 1.957 44.038 42.059 0.037 0.000 1.284 270 L HN 0.762 nan 8.230 nan 0.000 0.418 271 E N 4.679 124.932 120.200 0.089 0.000 2.158 271 E HA 0.538 4.891 4.350 0.004 0.000 0.271 271 E C -1.723 174.945 176.600 0.113 0.000 0.911 271 E CA -0.619 55.846 56.400 0.109 0.000 0.767 271 E CB 1.106 30.883 29.700 0.127 0.000 1.120 271 E HN 0.705 nan 8.360 nan 0.000 0.405 272 L N 7.153 128.416 121.223 0.067 0.000 2.318 272 L HA 0.481 4.824 4.340 0.004 0.000 0.277 272 L C -2.255 174.652 176.870 0.063 0.000 1.008 272 L CA -2.043 52.810 54.840 0.021 0.000 0.846 272 L CB 1.327 43.198 42.059 -0.313 0.000 1.220 272 L HN 0.415 nan 8.230 nan 0.000 0.423 273 P HA 0.308 nan 4.420 nan 0.000 0.281 273 P C -0.946 176.395 177.300 0.068 0.000 1.249 273 P CA -0.323 62.835 63.100 0.098 0.000 0.810 273 P CB 0.983 32.763 31.700 0.132 0.000 1.008 274 F N 0.339 120.496 119.950 0.345 0.000 2.403 274 F HA 0.364 4.894 4.527 0.006 0.000 0.326 274 F C 1.565 177.491 175.800 0.211 0.000 1.081 274 F CA -0.697 57.485 58.000 0.303 0.000 1.041 274 F CB 0.673 39.845 39.000 0.286 0.000 1.234 274 F HN 0.099 nan 8.300 nan 0.000 0.503 275 K N 0.846 121.463 120.400 0.361 0.000 2.530 275 K HA 0.232 4.555 4.320 0.004 0.000 0.280 275 K C 0.855 177.578 176.600 0.205 0.000 1.004 275 K CA 1.319 57.739 56.287 0.222 0.000 1.071 275 K CB -0.136 32.466 32.500 0.170 0.000 0.876 275 K HN 0.940 nan 8.250 nan 0.000 0.487 276 G N 2.655 111.548 108.800 0.155 0.000 2.278 276 G HA2 -0.242 3.721 3.960 0.004 0.000 0.210 276 G HA3 -0.242 3.721 3.960 0.004 0.000 0.210 276 G C 0.251 175.232 174.900 0.135 0.000 1.000 276 G CA 0.096 45.277 45.100 0.134 0.000 0.635 276 G HN 0.868 nan 8.290 nan 0.000 0.495 277 D N 0.687 121.186 120.400 0.165 0.000 2.978 277 D HA -0.206 4.437 4.640 0.004 0.000 0.205 277 D C 1.163 177.556 176.300 0.155 0.000 1.093 277 D CA 1.936 56.028 54.000 0.153 0.000 1.006 277 D CB -1.050 39.810 40.800 0.101 0.000 1.116 277 D HN 0.719 nan 8.370 nan 0.000 0.419 278 D N 0.304 120.802 120.400 0.164 0.000 2.271 278 D HA 0.032 4.674 4.640 0.004 0.000 0.206 278 D C 1.118 177.521 176.300 0.173 0.000 0.967 278 D CA 0.405 54.491 54.000 0.143 0.000 0.867 278 D CB 0.172 41.044 40.800 0.119 0.000 0.960 278 D HN 0.328 nan 8.370 nan 0.000 0.509 279 I N 0.946 121.667 120.570 0.251 0.000 2.436 279 I HA 0.326 4.498 4.170 0.004 0.000 0.289 279 I C -0.196 176.216 176.117 0.492 0.000 1.010 279 I CA -0.590 60.886 61.300 0.294 0.000 1.098 279 I CB 2.145 40.288 38.000 0.239 0.000 1.266 279 I HN -0.098 nan 8.210 nan 0.000 0.434 280 T N 2.870 117.664 114.554 0.399 0.000 2.907 280 T HA 0.662 5.014 4.350 0.004 0.000 0.290 280 T C -0.589 174.366 174.700 0.425 0.000 1.066 280 T CA -0.915 61.411 62.100 0.377 0.000 1.012 280 T CB 2.147 71.153 68.868 0.230 0.000 1.184 280 T HN 0.530 nan 8.240 nan 0.000 0.522 281 M N 2.631 122.435 119.600 0.340 0.000 2.114 281 M HA 0.560 5.043 4.480 0.004 0.000 0.332 281 M C -1.785 174.695 176.300 0.300 0.000 1.014 281 M CA -0.811 54.731 55.300 0.402 0.000 0.956 281 M CB 1.085 33.999 32.600 0.524 0.000 1.551 281 M HN 0.565 nan 8.290 nan 0.000 0.427 282 V N 6.723 126.835 119.914 0.329 0.000 2.370 282 V HA 0.426 4.548 4.120 0.004 0.000 0.279 282 V C -0.203 176.101 176.094 0.350 0.000 1.029 282 V CA -0.611 61.854 62.300 0.276 0.000 0.870 282 V CB 1.353 33.303 31.823 0.212 0.000 0.984 282 V HN 0.799 nan 8.190 nan 0.000 0.451 283 L N 6.164 127.539 121.223 0.254 0.000 2.309 283 L HA 0.626 4.969 4.340 0.004 0.000 0.282 283 L C -0.558 176.439 176.870 0.211 0.000 1.036 283 L CA -0.420 54.582 54.840 0.271 0.000 0.806 283 L CB 1.731 43.876 42.059 0.143 0.000 1.220 283 L HN 0.480 nan 8.230 nan 0.000 0.429 284 I N 4.841 125.572 120.570 0.268 0.000 2.411 284 I HA 0.342 4.514 4.170 0.004 0.000 0.284 284 I C -0.661 175.552 176.117 0.160 0.000 1.012 284 I CA -0.334 61.064 61.300 0.163 0.000 1.119 284 I CB 1.439 39.578 38.000 0.232 0.000 1.261 284 I HN 0.361 nan 8.210 nan 0.000 0.448 285 L N 7.937 129.197 121.223 0.062 0.000 2.313 285 L HA 0.615 4.958 4.340 0.004 0.000 0.283 285 L C -2.412 174.472 176.870 0.023 0.000 1.013 285 L CA -1.996 52.886 54.840 0.070 0.000 0.816 285 L CB 1.210 43.280 42.059 0.018 0.000 1.236 285 L HN 0.251 nan 8.230 nan 0.000 0.419 286 P HA 0.049 nan 4.420 nan 0.000 0.274 286 P C -0.663 176.646 177.300 0.016 0.000 1.246 286 P CA -0.577 62.542 63.100 0.031 0.000 0.795 286 P CB 0.868 32.606 31.700 0.062 0.000 1.006 287 K N 2.166 122.570 120.400 0.006 0.000 2.484 287 K HA -0.010 4.312 4.320 0.004 0.000 0.280 287 K C -1.575 175.031 176.600 0.010 0.000 1.013 287 K CA -0.999 55.290 56.287 0.003 0.000 1.029 287 K CB -0.250 32.250 32.500 0.000 0.000 0.902 287 K HN 0.174 nan 8.250 nan 0.000 0.481 288 P HA -0.270 nan 4.420 nan 0.000 0.219 288 P C 1.181 178.482 177.300 0.002 0.000 1.161 288 P CA 2.592 65.694 63.100 0.003 0.000 0.909 288 P CB 0.181 31.877 31.700 -0.006 0.000 0.793 289 E N -0.246 119.953 120.200 -0.001 0.000 2.028 289 E HA -0.005 4.348 4.350 0.004 0.000 0.191 289 E C 1.392 177.995 176.600 0.006 0.000 0.988 289 E CA 1.607 58.005 56.400 -0.002 0.000 0.799 289 E CB -1.614 nan 29.700 nan 0.000 0.755 289 E HN 0.453 nan 8.360 nan 0.000 0.447 290 K N 0.837 121.244 120.400 0.011 0.000 2.455 290 K HA 0.342 4.664 4.320 0.004 0.000 0.269 290 K C 0.544 177.160 176.600 0.027 0.000 0.972 290 K CA 0.318 56.617 56.287 0.019 0.000 0.938 290 K CB 0.000 32.514 32.500 0.023 0.000 0.931 290 K HN 0.475 nan 8.250 nan 0.000 0.507 291 S N -0.021 115.698 115.700 0.031 0.000 2.672 291 S HA 0.418 4.891 4.470 0.004 0.000 0.276 291 S C 1.091 175.724 174.600 0.056 0.000 1.207 291 S CA -0.626 57.597 58.200 0.039 0.000 1.002 291 S CB 1.312 64.530 63.200 0.030 0.000 0.998 291 S HN 0.584 nan 8.310 nan 0.000 0.542 292 L N 1.757 123.019 121.223 0.066 0.000 2.270 292 L HA 0.194 4.537 4.340 0.004 0.000 0.210 292 L C 2.283 179.206 176.870 0.088 0.000 1.104 292 L CA 1.364 56.258 54.840 0.089 0.000 0.804 292 L CB -1.292 40.828 42.059 0.101 0.000 0.937 292 L HN 0.864 nan 8.230 nan 0.000 0.450 293 A N -0.495 122.361 122.820 0.061 0.000 1.917 293 A HA -0.299 4.023 4.320 0.004 0.000 0.219 293 A C 2.454 180.067 177.584 0.049 0.000 1.182 293 A CA 2.149 54.213 52.037 0.045 0.000 0.633 293 A CB -0.585 18.426 19.000 0.018 0.000 0.819 293 A HN 0.434 nan 8.150 nan 0.000 0.448 294 K N -0.345 120.085 120.400 0.051 0.000 2.097 294 K HA -0.079 4.244 4.320 0.004 0.000 0.205 294 K C 1.866 178.515 176.600 0.082 0.000 1.050 294 K CA 1.505 57.824 56.287 0.053 0.000 0.938 294 K CB -0.246 32.284 32.500 0.049 0.000 0.718 294 K HN 0.311 nan 8.250 nan 0.000 0.442 295 V N 1.624 121.608 119.914 0.117 0.000 2.295 295 V HA -0.226 3.897 4.120 0.004 0.000 0.246 295 V C 1.981 178.169 176.094 0.157 0.000 1.049 295 V CA 1.885 64.293 62.300 0.180 0.000 1.024 295 V CB -0.468 31.487 31.823 0.220 0.000 0.648 295 V HN 0.372 nan 8.190 nan 0.000 0.447 296 E N 0.588 120.871 120.200 0.140 0.000 2.077 296 E HA -0.209 4.143 4.350 0.004 0.000 0.193 296 E C 2.511 179.165 176.600 0.092 0.000 0.989 296 E CA 1.629 58.117 56.400 0.147 0.000 0.800 296 E CB -0.295 29.522 29.700 0.194 0.000 0.746 296 E HN 0.690 nan 8.360 nan 0.000 0.452 297 K N 1.907 122.338 120.400 0.051 0.000 2.097 297 K HA -0.184 4.138 4.320 0.004 0.000 0.206 297 K C 1.621 178.219 176.600 -0.003 0.000 1.049 297 K CA 1.780 58.072 56.287 0.008 0.000 0.933 297 K CB -0.838 31.660 32.500 -0.003 0.000 0.717 297 K HN 0.488 nan 8.250 nan 0.000 0.442 298 E N -0.255 119.949 120.200 0.006 0.000 2.465 298 E HA 0.144 4.496 4.350 0.004 0.000 0.195 298 E C -0.072 176.492 176.600 -0.060 0.000 1.028 298 E CA -0.549 55.836 56.400 -0.025 0.000 0.899 298 E CB -0.250 29.440 29.700 -0.017 0.000 1.032 298 E HN 0.295 nan 8.360 nan 0.000 0.468 299 L N 3.120 124.324 121.223 -0.030 0.000 2.485 299 L HA 0.120 4.462 4.340 0.004 0.000 0.279 299 L C -0.188 176.641 176.870 -0.068 0.000 1.124 299 L CA 0.631 55.439 54.840 -0.054 0.000 0.888 299 L CB 0.500 42.578 42.059 0.032 0.000 1.217 299 L HN 0.217 nan 8.230 nan 0.000 0.464 300 T N 1.625 116.100 114.554 -0.132 0.000 2.926 300 T HA 0.575 4.928 4.350 0.004 0.000 0.289 300 T C -2.121 172.494 174.700 -0.141 0.000 1.054 300 T CA -1.771 60.262 62.100 -0.112 0.000 1.015 300 T CB 1.553 70.352 68.868 -0.115 0.000 1.167 300 T HN 0.210 nan 8.240 nan 0.000 0.526 301 P HA -0.070 nan 4.420 nan 0.000 0.218 301 P C 1.448 178.661 177.300 -0.144 0.000 1.149 301 P CA 0.954 63.984 63.100 -0.116 0.000 0.817 301 P CB 0.086 31.735 31.700 -0.087 0.000 0.785 302 E N -0.253 119.863 120.200 -0.141 0.000 2.106 302 E HA -0.081 4.272 4.350 0.004 0.000 0.192 302 E C 2.042 178.511 176.600 -0.218 0.000 0.984 302 E CA 1.038 57.354 56.400 -0.140 0.000 0.806 302 E CB -1.399 28.235 29.700 -0.109 0.000 0.750 302 E HN 0.123 nan 8.360 nan 0.000 0.458 303 V N 1.932 121.651 119.914 -0.325 0.000 2.358 303 V HA -0.204 3.919 4.120 0.004 0.000 0.246 303 V C 2.575 178.208 176.094 -0.768 0.000 1.047 303 V CA 1.270 63.218 62.300 -0.586 0.000 1.035 303 V CB -0.546 30.865 31.823 -0.687 0.000 0.658 303 V HN 0.149 nan 8.190 nan 0.000 0.452 304 L N -0.414 120.494 121.223 -0.524 0.000 2.093 304 L HA -0.208 4.135 4.340 0.004 0.000 0.208 304 L C 2.626 179.408 176.870 -0.147 0.000 1.085 304 L CA 1.519 56.167 54.840 -0.320 0.000 0.755 304 L CB -0.541 41.337 42.059 -0.303 0.000 0.904 304 L HN 0.349 nan 8.230 nan 0.000 0.435 305 Q N 0.604 120.322 119.800 -0.138 0.000 2.050 305 Q HA -0.249 4.093 4.340 0.004 0.000 0.202 305 Q C 1.990 177.980 176.000 -0.017 0.000 0.980 305 Q CA 1.873 57.646 55.803 -0.051 0.000 0.840 305 Q CB -0.128 28.591 28.738 -0.031 0.000 0.898 305 Q HN 0.412 nan 8.270 nan 0.000 0.424 306 E N -1.088 119.074 120.200 -0.063 0.000 2.048 306 E HA -0.226 4.126 4.350 0.004 0.000 0.202 306 E C 1.493 178.164 176.600 0.119 0.000 1.021 306 E CA 1.631 58.023 56.400 -0.014 0.000 0.825 306 E CB -0.289 29.351 29.700 -0.099 0.000 0.756 306 E HN 0.487 nan 8.360 nan 0.000 0.454 307 W N 0.670 121.942 121.300 -0.047 0.000 2.321 307 W HA -0.174 4.491 4.660 0.009 0.000 0.306 307 W C 2.234 178.720 176.519 -0.055 0.000 1.217 307 W CA 0.763 58.074 57.345 -0.058 0.000 1.257 307 W CB -1.059 28.360 29.460 -0.068 0.000 1.145 307 W HN 0.233 nan 8.180 nan 0.000 0.509 308 L N -0.259 121.069 121.223 0.175 0.000 2.141 308 L HA -0.189 4.154 4.340 0.004 0.000 0.209 308 L C 1.881 178.792 176.870 0.069 0.000 1.094 308 L CA 1.213 56.108 54.840 0.092 0.000 0.763 308 L CB -0.721 41.372 42.059 0.057 0.000 0.908 308 L HN -0.161 nan 8.230 nan 0.000 0.437 309 D N -0.052 120.388 120.400 0.067 0.000 2.269 309 D HA -0.131 4.512 4.640 0.004 0.000 0.208 309 D C 1.770 178.097 176.300 0.044 0.000 0.963 309 D CA 0.929 54.958 54.000 0.049 0.000 0.864 309 D CB 0.121 40.946 40.800 0.042 0.000 0.936 309 D HN 0.410 nan 8.370 nan 0.000 0.505 310 E N -0.277 119.955 120.200 0.054 0.000 2.474 310 E HA 0.114 4.467 4.350 0.004 0.000 0.194 310 E C 0.371 176.971 176.600 0.000 0.000 1.041 310 E CA -0.198 56.220 56.400 0.030 0.000 0.874 310 E CB 0.515 30.240 29.700 0.041 0.000 0.914 310 E HN 0.220 nan 8.360 nan 0.000 0.498 311 L N 1.615 122.843 121.223 0.008 0.000 2.461 311 L HA 0.142 4.484 4.340 0.004 0.000 0.272 311 L C 0.201 177.082 176.870 0.018 0.000 1.197 311 L CA 0.645 55.484 54.840 -0.002 0.000 0.836 311 L CB 0.369 42.442 42.059 0.024 0.000 1.105 311 L HN -0.017 nan 8.230 nan 0.000 0.477 312 E N 0.847 121.065 120.200 0.031 0.000 2.331 312 E HA 0.165 4.518 4.350 0.004 0.000 0.275 312 E C -1.220 175.420 176.600 0.066 0.000 0.895 312 E CA -0.757 55.667 56.400 0.041 0.000 0.753 312 E CB 2.237 31.956 29.700 0.032 0.000 1.216 312 E HN 0.512 nan 8.360 nan 0.000 0.434 313 E N 3.432 123.659 120.200 0.045 0.000 2.465 313 E HA 0.154 4.506 4.350 0.004 0.000 0.260 313 E C -1.012 175.614 176.600 0.043 0.000 0.980 313 E CA 0.364 56.786 56.400 0.036 0.000 0.927 313 E CB 0.561 30.259 29.700 -0.003 0.000 0.934 313 E HN 0.405 nan 8.360 nan 0.000 0.459 314 M N 5.043 124.677 119.600 0.056 0.000 2.421 314 M HA 0.272 4.754 4.480 0.004 0.000 0.287 314 M C -1.393 174.912 176.300 0.009 0.000 1.183 314 M CA -0.558 54.770 55.300 0.046 0.000 0.916 314 M CB 1.901 34.565 32.600 0.107 0.000 1.701 314 M HN 0.610 nan 8.290 nan 0.000 0.470 315 M N 6.351 125.940 119.600 -0.019 0.000 2.217 315 M HA 0.530 5.012 4.480 0.004 0.000 0.352 315 M C -1.659 174.605 176.300 -0.060 0.000 1.376 315 M CA -0.065 55.211 55.300 -0.039 0.000 1.107 315 M CB 0.178 32.752 32.600 -0.043 0.000 1.723 315 M HN 0.766 nan 8.290 nan 0.000 0.461 316 L N 3.062 124.247 121.223 -0.063 0.000 2.622 316 L HA 0.705 5.048 4.340 0.004 0.000 0.258 316 L C -1.848 174.926 176.870 -0.160 0.000 0.996 316 L CA -1.159 53.592 54.840 -0.148 0.000 0.858 316 L CB 1.848 43.734 42.059 -0.288 0.000 1.449 316 L HN 0.328 nan 8.230 nan 0.000 0.411 317 V N 2.183 121.976 119.914 -0.200 0.000 2.394 317 V HA 0.466 4.589 4.120 0.004 0.000 0.282 317 V C -0.038 175.857 176.094 -0.332 0.000 1.031 317 V CA -0.391 61.749 62.300 -0.266 0.000 0.881 317 V CB 1.657 33.403 31.823 -0.128 0.000 0.982 317 V HN 0.520 nan 8.190 nan 0.000 0.451 318 V N 5.052 124.690 119.914 -0.459 0.000 2.370 318 V HA 0.418 4.541 4.120 0.004 0.000 0.283 318 V C -0.544 175.345 176.094 -0.342 0.000 1.023 318 V CA -0.699 61.364 62.300 -0.395 0.000 0.857 318 V CB 1.100 32.628 31.823 -0.492 0.000 0.985 318 V HN 0.884 nan 8.190 nan 0.000 0.443 319 H N 5.229 124.256 119.070 -0.071 0.000 2.551 319 H HA 0.739 5.296 4.556 0.002 0.000 0.321 319 H C -0.148 175.130 175.328 -0.085 0.000 1.028 319 H CA -0.292 55.752 56.048 -0.007 0.000 1.215 319 H CB 1.538 31.311 29.762 0.019 0.000 1.414 319 H HN 0.744 nan 8.280 nan 0.000 0.480 320 M N 5.181 124.784 119.600 0.004 0.000 2.322 320 M HA 0.478 4.961 4.480 0.004 0.000 0.286 320 M C -3.163 173.095 176.300 -0.071 0.000 1.111 320 M CA -1.934 53.311 55.300 -0.091 0.000 0.941 320 M CB 2.695 35.220 32.600 -0.125 0.000 1.671 320 M HN 0.217 nan 8.290 nan 0.000 0.470 321 P HA 0.130 nan 4.420 nan 0.000 0.271 321 P C -1.528 175.914 177.300 0.237 0.000 1.218 321 P CA -0.065 63.093 63.100 0.097 0.000 0.780 321 P CB 0.577 32.306 31.700 0.049 0.000 0.901 322 R N 3.691 124.276 120.500 0.142 0.000 2.235 322 R HA 0.429 4.771 4.340 0.004 0.000 0.338 322 R C -0.651 175.748 176.300 0.164 0.000 1.087 322 R CA -0.359 55.800 56.100 0.100 0.000 0.948 322 R CB -0.574 29.736 30.300 0.017 0.000 1.099 322 R HN 0.477 nan 8.270 nan 0.000 0.483 323 F N 1.230 121.147 119.950 -0.055 0.000 2.824 323 F HA 0.667 5.196 4.527 0.004 0.000 0.330 323 F C -1.539 174.174 175.800 -0.145 0.000 1.175 323 F CA -1.655 56.289 58.000 -0.092 0.000 0.974 323 F CB 1.022 39.962 39.000 -0.099 0.000 1.430 323 F HN 0.390 nan 8.300 nan 0.000 0.507 324 R N 1.526 121.950 120.500 -0.127 0.000 2.535 324 R HA 0.777 5.119 4.340 0.004 0.000 0.274 324 R C -2.175 174.035 176.300 -0.151 0.000 1.090 324 R CA -0.745 55.132 56.100 -0.371 0.000 0.930 324 R CB 1.952 32.045 30.300 -0.346 0.000 1.223 324 R HN 1.045 nan 8.270 nan 0.000 0.441 325 I N -1.281 119.121 120.570 -0.281 0.000 2.730 325 I HA 0.636 4.809 4.170 0.004 0.000 0.298 325 I C -0.966 175.029 176.117 -0.204 0.000 1.089 325 I CA -0.957 60.257 61.300 -0.145 0.000 1.041 325 I CB 2.695 40.668 38.000 -0.046 0.000 1.235 325 I HN 0.667 nan 8.210 nan 0.000 0.423 326 E N 2.644 122.833 120.200 -0.019 0.000 2.266 326 E HA 0.506 4.858 4.350 0.004 0.000 0.268 326 E C -1.711 175.000 176.600 0.185 0.000 0.879 326 E CA -0.750 55.714 56.400 0.106 0.000 0.762 326 E CB 2.558 32.349 29.700 0.150 0.000 1.199 326 E HN 0.606 nan 8.360 nan 0.000 0.422 327 D N 0.428 120.999 120.400 0.285 0.000 2.819 327 D HA 0.585 5.228 4.640 0.004 0.000 0.232 327 D C -1.353 175.154 176.300 0.346 0.000 1.160 327 D CA -0.386 53.823 54.000 0.348 0.000 0.858 327 D CB 2.009 43.090 40.800 0.469 0.000 1.610 327 D HN 0.511 nan 8.370 nan 0.000 0.481 328 G N 1.353 110.365 108.800 0.353 0.000 2.740 328 G HA2 0.672 4.634 3.960 0.004 0.000 0.296 328 G HA3 0.672 4.634 3.960 0.004 0.000 0.296 328 G C -1.435 173.702 174.900 0.395 0.000 1.439 328 G CA -0.819 44.429 45.100 0.247 0.000 1.066 328 G HN 0.381 nan 8.290 nan 0.000 0.527 329 F N -0.064 120.057 119.950 0.285 0.000 2.719 329 F HA 0.788 5.318 4.527 0.004 0.000 0.309 329 F C -0.393 175.631 175.800 0.375 0.000 1.138 329 F CA -1.468 56.702 58.000 0.283 0.000 0.943 329 F CB 1.374 40.511 39.000 0.228 0.000 1.304 329 F HN 0.580 nan 8.300 nan 0.000 0.445 330 S N 1.644 117.679 115.700 0.558 0.000 2.545 330 S HA 0.520 4.992 4.470 0.004 0.000 0.275 330 S C 0.296 175.138 174.600 0.403 0.000 1.299 330 S CA -0.718 57.706 58.200 0.372 0.000 1.048 330 S CB 0.650 64.011 63.200 0.268 0.000 0.938 330 S HN 0.775 nan 8.310 nan 0.000 0.496 331 L N 3.912 125.312 121.223 0.295 0.000 2.640 331 L HA 0.323 4.665 4.340 0.004 0.000 0.230 331 L C 2.253 179.224 176.870 0.170 0.000 1.123 331 L CA -0.240 54.833 54.840 0.388 0.000 0.900 331 L CB -0.493 41.800 42.059 0.390 0.000 1.146 331 L HN 0.679 nan 8.230 nan 0.000 0.484 332 K N 1.719 122.111 120.400 -0.012 0.000 2.001 332 K HA -0.286 4.037 4.320 0.004 0.000 0.214 332 K C 2.008 178.392 176.600 -0.360 0.000 1.050 332 K CA 2.224 58.278 56.287 -0.388 0.000 0.934 332 K CB -0.018 32.238 32.500 -0.406 0.000 0.718 332 K HN 0.345 nan 8.250 nan 0.000 0.443 333 E N -0.005 120.092 120.200 -0.172 0.000 2.049 333 E HA -0.283 4.070 4.350 0.004 0.000 0.198 333 E C 2.137 178.675 176.600 -0.104 0.000 1.007 333 E CA 1.884 58.207 56.400 -0.129 0.000 0.809 333 E CB 0.037 29.698 29.700 -0.065 0.000 0.749 333 E HN 0.348 nan 8.360 nan 0.000 0.450 334 Q N 0.197 119.964 119.800 -0.055 0.000 2.124 334 Q HA -0.085 4.257 4.340 0.004 0.000 0.202 334 Q C 2.205 178.144 176.000 -0.101 0.000 0.977 334 Q CA 1.077 56.827 55.803 -0.087 0.000 0.850 334 Q CB -0.062 28.586 28.738 -0.150 0.000 0.901 334 Q HN 0.342 nan 8.270 nan 0.000 0.429 335 L N -0.219 121.007 121.223 0.005 0.000 2.156 335 L HA -0.177 4.165 4.340 0.004 0.000 0.208 335 L C 2.336 179.177 176.870 -0.049 0.000 1.095 335 L CA 1.043 55.881 54.840 -0.003 0.000 0.770 335 L CB -0.247 41.864 42.059 0.087 0.000 0.914 335 L HN 0.279 nan 8.230 nan 0.000 0.439 336 Q N -0.183 119.547 119.800 -0.116 0.000 2.079 336 Q HA -0.205 4.137 4.340 0.004 0.000 0.200 336 Q C 1.737 177.695 176.000 -0.069 0.000 0.974 336 Q CA 1.479 57.232 55.803 -0.083 0.000 0.840 336 Q CB 0.046 28.689 28.738 -0.158 0.000 0.898 336 Q HN 0.441 nan 8.270 nan 0.000 0.430 337 D N 0.049 120.386 120.400 -0.104 0.000 2.178 337 D HA -0.142 4.500 4.640 0.004 0.000 0.201 337 D C 1.492 177.701 176.300 -0.152 0.000 0.980 337 D CA 1.142 55.090 54.000 -0.086 0.000 0.842 337 D CB -0.022 40.764 40.800 -0.023 0.000 0.948 337 D HN 0.282 nan 8.370 nan 0.000 0.472 338 M N -1.026 118.397 119.600 -0.294 0.000 2.619 338 M HA 0.072 4.554 4.480 0.004 0.000 0.251 338 M C 0.986 177.217 176.300 -0.116 0.000 1.106 338 M CA 0.783 55.915 55.300 -0.280 0.000 1.086 338 M CB 0.649 33.038 32.600 -0.352 0.000 1.465 338 M HN 0.190 nan 8.290 nan 0.000 0.506 339 G N 0.442 109.206 108.800 -0.061 0.000 2.227 339 G HA2 -0.155 3.808 3.960 0.004 0.000 0.168 339 G HA3 -0.155 3.808 3.960 0.004 0.000 0.168 339 G C -0.334 174.582 174.900 0.027 0.000 1.006 339 G CA -0.653 44.438 45.100 -0.014 0.000 0.684 339 G HN 0.261 nan 8.290 nan 0.000 0.489 340 L N 2.917 124.177 121.223 0.062 0.000 2.389 340 L HA 0.599 4.941 4.340 0.004 0.000 0.265 340 L C 1.582 178.618 176.870 0.277 0.000 1.167 340 L CA 0.277 55.217 54.840 0.166 0.000 1.045 340 L CB 0.908 43.106 42.059 0.232 0.000 1.351 340 L HN 0.433 nan 8.230 nan 0.000 0.419 341 V N -1.090 118.939 119.914 0.191 0.000 2.908 341 V HA 0.144 4.267 4.120 0.004 0.000 0.240 341 V C 1.606 177.825 176.094 0.208 0.000 1.117 341 V CA 0.581 63.008 62.300 0.212 0.000 1.133 341 V CB -0.391 31.497 31.823 0.107 0.000 0.857 341 V HN 0.424 nan 8.190 nan 0.000 0.478 342 D N 1.159 121.632 120.400 0.121 0.000 2.104 342 D HA -0.180 4.463 4.640 0.004 0.000 0.194 342 D C 1.946 178.282 176.300 0.059 0.000 0.994 342 D CA 1.934 55.980 54.000 0.075 0.000 0.830 342 D CB -0.391 40.433 40.800 0.041 0.000 0.959 342 D HN 0.412 nan 8.370 nan 0.000 0.452 343 L N -0.492 120.728 121.223 -0.005 0.000 2.129 343 L HA -0.163 4.180 4.340 0.004 0.000 0.212 343 L C 1.454 178.180 176.870 -0.240 0.000 1.087 343 L CA 1.564 56.303 54.840 -0.169 0.000 0.757 343 L CB -0.323 41.541 42.059 -0.325 0.000 0.896 343 L HN 0.015 nan 8.230 nan 0.000 0.434 344 F N -1.709 118.328 119.950 0.147 0.000 2.789 344 F HA 0.204 4.733 4.527 0.004 0.000 0.300 344 F C 1.532 177.431 175.800 0.163 0.000 1.132 344 F CA 0.291 58.403 58.000 0.187 0.000 1.404 344 F CB -0.461 38.616 39.000 0.129 0.000 1.114 344 F HN 0.013 nan 8.300 nan 0.000 0.584 345 S N 1.586 117.407 115.700 0.203 0.000 2.465 345 S HA 0.211 4.684 4.470 0.004 0.000 0.279 345 S C -1.600 172.939 174.600 -0.102 0.000 1.201 345 S CA -1.573 56.650 58.200 0.039 0.000 1.053 345 S CB 1.052 64.276 63.200 0.040 0.000 0.953 345 S HN -0.160 nan 8.310 nan 0.000 0.488 346 P HA -0.117 nan 4.420 nan 0.000 0.215 346 P C 0.884 178.061 177.300 -0.206 0.000 1.157 346 P CA 1.327 64.065 63.100 -0.603 0.000 0.874 346 P CB 0.132 31.390 31.700 -0.737 0.000 0.790 347 E N -0.094 120.026 120.200 -0.135 0.000 2.028 347 E HA -0.136 4.217 4.350 0.004 0.000 0.191 347 E C 1.861 178.444 176.600 -0.029 0.000 0.988 347 E CA 1.335 57.696 56.400 -0.064 0.000 0.799 347 E CB -0.571 29.099 29.700 -0.050 0.000 0.755 347 E HN 0.286 nan 8.360 nan 0.000 0.447 348 K N 0.445 120.835 120.400 -0.016 0.000 2.323 348 K HA 0.163 4.485 4.320 0.004 0.000 0.197 348 K C 0.773 177.382 176.600 0.016 0.000 1.043 348 K CA 0.083 56.373 56.287 0.005 0.000 0.997 348 K CB 0.373 32.881 32.500 0.014 0.000 0.807 348 K HN -0.050 nan 8.250 nan 0.000 0.497 349 S N 2.121 117.837 115.700 0.027 0.000 2.544 349 S HA -0.005 4.467 4.470 0.004 0.000 0.290 349 S C -0.253 174.360 174.600 0.022 0.000 1.276 349 S CA -0.027 58.194 58.200 0.035 0.000 1.075 349 S CB 0.225 63.472 63.200 0.080 0.000 0.849 349 S HN -0.018 nan 8.310 nan 0.000 0.494 350 K N 5.742 126.146 120.400 0.006 0.000 2.404 350 K HA 0.386 4.709 4.320 0.004 0.000 0.257 350 K C -0.940 175.649 176.600 -0.019 0.000 1.026 350 K CA -0.164 56.122 56.287 -0.002 0.000 0.951 350 K CB 0.958 33.460 32.500 0.003 0.000 1.203 350 K HN 0.627 nan 8.250 nan 0.000 0.446 351 L N 5.286 126.490 121.223 -0.032 0.000 2.488 351 L HA 0.250 4.593 4.340 0.004 0.000 0.250 351 L C -1.525 175.297 176.870 -0.080 0.000 1.280 351 L CA -1.035 53.765 54.840 -0.068 0.000 0.929 351 L CB 1.707 43.711 42.059 -0.093 0.000 1.200 351 L HN 0.262 nan 8.230 nan 0.000 0.495 352 P HA 0.072 nan 4.420 nan 0.000 0.245 352 P C 1.188 178.441 177.300 -0.079 0.000 1.203 352 P CA 0.343 63.407 63.100 -0.060 0.000 0.792 352 P CB 0.675 32.355 31.700 -0.032 0.000 0.997 353 G N -0.067 108.667 108.800 -0.110 0.000 2.985 353 G HA2 0.024 3.987 3.960 0.004 0.000 0.209 353 G HA3 0.024 3.987 3.960 0.004 0.000 0.209 353 G C 1.318 176.074 174.900 -0.240 0.000 1.165 353 G CA 0.018 45.048 45.100 -0.117 0.000 0.776 353 G HN 0.206 nan 8.290 nan 0.000 0.541 354 I N 0.060 120.414 120.570 -0.359 0.000 2.385 354 I HA 0.053 4.226 4.170 0.004 0.000 0.244 354 I C 0.655 176.740 176.117 -0.053 0.000 1.089 354 I CA 0.422 61.429 61.300 -0.489 0.000 1.410 354 I CB 0.067 37.784 38.000 -0.473 0.000 1.117 354 I HN -0.167 nan 8.210 nan 0.000 0.429 355 V N 0.934 120.797 119.914 -0.085 0.000 2.617 355 V HA 0.383 4.505 4.120 0.004 0.000 0.298 355 V C 0.897 176.939 176.094 -0.088 0.000 1.048 355 V CA -0.016 62.203 62.300 -0.135 0.000 0.964 355 V CB 1.434 33.124 31.823 -0.222 0.000 1.004 355 V HN 0.284 nan 8.190 nan 0.000 0.466 356 A N 3.108 125.877 122.820 -0.085 0.000 1.887 356 A HA 0.574 4.896 4.320 0.004 0.000 0.212 356 A C 0.949 178.495 177.584 -0.063 0.000 1.198 356 A CA 1.147 53.156 52.037 -0.048 0.000 0.628 356 A CB -0.050 18.937 19.000 -0.023 0.000 0.847 356 A HN 1.164 nan 8.150 nan 0.000 0.449 357 E N -2.347 117.798 120.200 -0.091 0.000 2.347 357 E HA 0.489 4.841 4.350 0.004 0.000 0.285 357 E C 0.075 176.608 176.600 -0.112 0.000 0.925 357 E CA 0.122 56.472 56.400 -0.082 0.000 0.779 357 E CB 0.626 30.291 29.700 -0.057 0.000 1.233 357 E HN 1.730 nan 8.360 nan 0.000 0.414 358 G N 1.882 110.623 108.800 -0.099 0.000 4.220 358 G HA2 0.002 3.965 3.960 0.004 0.000 0.197 358 G HA3 0.002 3.965 3.960 0.004 0.000 0.197 358 G C 0.223 175.072 174.900 -0.086 0.000 1.518 358 G CA 0.142 45.179 45.100 -0.106 0.000 0.955 358 G HN 0.653 nan 8.290 nan 0.000 0.353 359 R N 0.334 120.774 120.500 -0.099 0.000 2.854 359 R HA 0.675 5.018 4.340 0.004 0.000 0.271 359 R C -1.000 175.267 176.300 -0.055 0.000 0.994 359 R CA -0.569 55.492 56.100 -0.065 0.000 0.945 359 R CB 1.913 32.175 30.300 -0.064 0.000 1.194 359 R HN 0.192 nan 8.270 nan 0.000 0.476 360 D N -0.453 119.931 120.400 -0.027 0.000 2.460 360 D HA 0.060 4.703 4.640 0.004 0.000 0.263 360 D C -0.646 175.653 176.300 -0.001 0.000 1.209 360 D CA 0.433 54.420 54.000 -0.021 0.000 0.818 360 D CB 1.001 41.790 40.800 -0.019 0.000 1.239 360 D HN 0.788 nan 8.370 nan 0.000 0.530 361 D N 1.399 121.813 120.400 0.023 0.000 2.517 361 D HA 0.466 5.108 4.640 0.004 0.000 0.301 361 D C 0.243 176.617 176.300 0.124 0.000 1.202 361 D CA -0.313 53.721 54.000 0.056 0.000 0.910 361 D CB -0.121 40.710 40.800 0.050 0.000 1.021 361 D HN -0.004 nan 8.370 nan 0.000 0.499 362 L N 1.197 122.468 121.223 0.079 0.000 2.326 362 L HA 0.764 5.106 4.340 0.004 0.000 0.278 362 L C -0.153 176.794 176.870 0.128 0.000 1.092 362 L CA -1.040 53.838 54.840 0.063 0.000 0.810 362 L CB 0.928 42.968 42.059 -0.032 0.000 1.153 362 L HN 0.628 nan 8.230 nan 0.000 0.439 363 Y N 0.347 120.616 120.300 -0.051 0.000 2.609 363 Y HA 0.626 5.179 4.550 0.004 0.000 0.336 363 Y C -1.035 174.818 175.900 -0.078 0.000 1.129 363 Y CA -1.487 56.574 58.100 -0.065 0.000 1.040 363 Y CB 0.868 39.314 38.460 -0.023 0.000 1.310 363 Y HN 0.125 nan 8.280 nan 0.000 0.460 364 V N 3.182 122.982 119.914 -0.190 0.000 2.488 364 V HA 0.174 4.297 4.120 0.004 0.000 0.277 364 V C 0.925 177.013 176.094 -0.010 0.000 1.046 364 V CA 0.648 62.802 62.300 -0.242 0.000 0.986 364 V CB 0.856 32.474 31.823 -0.343 0.000 0.989 364 V HN 1.042 nan 8.190 nan 0.000 0.475 365 S N 2.374 118.006 115.700 -0.115 0.000 2.421 365 S HA 0.102 4.574 4.470 0.004 0.000 0.224 365 S C 0.422 175.129 174.600 0.179 0.000 1.035 365 S CA 0.273 58.536 58.200 0.105 0.000 0.953 365 S CB 0.257 63.448 63.200 -0.015 0.000 0.810 365 S HN 0.758 nan 8.310 nan 0.000 0.497 366 D N -0.585 119.855 120.400 0.067 0.000 2.685 366 D HA 0.638 5.281 4.640 0.004 0.000 0.236 366 D C -1.954 174.180 176.300 -0.277 0.000 1.233 366 D CA -0.142 53.801 54.000 -0.095 0.000 0.760 366 D CB 2.092 42.747 40.800 -0.241 0.000 1.410 366 D HN 0.360 nan 8.370 nan 0.000 0.439 367 A N 1.735 124.337 122.820 -0.363 0.000 2.359 367 A HA 0.727 5.049 4.320 0.004 0.000 0.303 367 A C -1.459 175.852 177.584 -0.455 0.000 1.066 367 A CA -0.517 51.363 52.037 -0.262 0.000 0.730 367 A CB 0.561 19.713 19.000 0.253 0.000 1.211 367 A HN 0.264 nan 8.150 nan 0.000 0.439 368 F N 0.332 120.370 119.950 0.146 0.000 2.523 368 F HA 0.695 5.224 4.527 0.004 0.000 0.329 368 F C 0.322 176.167 175.800 0.075 0.000 1.061 368 F CA -0.325 57.733 58.000 0.097 0.000 0.967 368 F CB 1.913 40.943 39.000 0.050 0.000 1.218 368 F HN 0.729 nan 8.300 nan 0.000 0.480 369 H N 0.643 119.708 119.070 -0.007 0.000 2.865 369 H HA 0.559 5.117 4.556 0.004 0.000 0.362 369 H C -1.547 173.660 175.328 -0.200 0.000 1.114 369 H CA -0.933 54.997 56.048 -0.198 0.000 1.208 369 H CB 1.729 31.181 29.762 -0.517 0.000 1.727 369 H HN 0.521 nan 8.280 nan 0.000 0.534 370 K N 3.121 123.329 120.400 -0.320 0.000 2.507 370 K HA 0.811 5.134 4.320 0.004 0.000 0.251 370 K C -1.903 174.653 176.600 -0.074 0.000 0.943 370 K CA -0.420 55.810 56.287 -0.096 0.000 0.794 370 K CB 1.575 34.067 32.500 -0.013 0.000 1.188 370 K HN 0.628 nan 8.250 nan 0.000 0.428 371 A N 3.423 126.357 122.820 0.190 0.000 2.454 371 A HA 0.828 5.151 4.320 0.004 0.000 0.302 371 A C -1.853 176.035 177.584 0.506 0.000 1.079 371 A CA -0.673 51.606 52.037 0.403 0.000 0.731 371 A CB 0.829 20.178 19.000 0.581 0.000 1.299 371 A HN 0.665 nan 8.150 nan 0.000 0.413 372 F N 1.329 121.469 119.950 0.318 0.000 2.556 372 F HA 0.745 5.275 4.527 0.005 0.000 0.314 372 F C -1.619 174.090 175.800 -0.152 0.000 1.106 372 F CA -1.055 56.994 58.000 0.081 0.000 0.911 372 F CB 1.887 40.910 39.000 0.038 0.000 1.190 372 F HN 0.582 nan 8.300 nan 0.000 0.448 373 L N 4.997 125.595 121.223 -1.041 0.000 2.431 373 L HA 0.607 4.949 4.340 0.004 0.000 0.266 373 L C -1.672 174.486 176.870 -1.187 0.000 0.978 373 L CA -0.231 53.938 54.840 -1.119 0.000 0.822 373 L CB 2.062 43.190 42.059 -1.551 0.000 1.310 373 L HN 0.765 nan 8.230 nan 0.000 0.409 374 E N 3.601 123.301 120.200 -0.834 0.000 2.274 374 E HA 0.626 4.979 4.350 0.004 0.000 0.269 374 E C -2.051 174.241 176.600 -0.513 0.000 0.891 374 E CA -0.629 55.352 56.400 -0.698 0.000 0.784 374 E CB 1.973 31.445 29.700 -0.380 0.000 1.225 374 E HN 0.480 nan 8.360 nan 0.000 0.412 375 V N 4.963 124.474 119.914 -0.672 0.000 2.459 375 V HA 0.532 4.655 4.120 0.004 0.000 0.295 375 V C -0.234 175.774 176.094 -0.143 0.000 1.029 375 V CA -0.536 61.575 62.300 -0.316 0.000 0.874 375 V CB 1.393 33.074 31.823 -0.237 0.000 0.985 375 V HN 0.858 nan 8.190 nan 0.000 0.438 376 N N 2.750 121.471 118.700 0.036 0.000 3.418 376 N HA 0.338 5.080 4.740 0.004 0.000 0.316 376 N C 0.312 175.970 175.510 0.246 0.000 1.601 376 N CA -0.802 52.289 53.050 0.069 0.000 0.805 376 N CB 0.912 39.412 38.487 0.021 0.000 1.873 376 N HN 0.222 nan 8.380 nan 0.000 0.615 377 E N -0.507 119.819 120.200 0.210 0.000 2.152 377 E HA -0.026 4.327 4.350 0.004 0.000 0.192 377 E C 0.654 177.579 176.600 0.541 0.000 0.983 377 E CA 1.226 57.852 56.400 0.377 0.000 0.818 377 E CB -0.023 29.831 29.700 0.258 0.000 0.758 377 E HN 0.605 nan 8.360 nan 0.000 0.467 378 E N -0.851 119.537 120.200 0.312 0.000 2.250 378 E HA 0.211 4.564 4.350 0.004 0.000 0.192 378 E C 0.734 177.375 176.600 0.068 0.000 0.986 378 E CA 0.719 57.253 56.400 0.224 0.000 0.849 378 E CB 0.738 30.500 29.700 0.103 0.000 0.797 378 E HN 0.231 nan 8.360 nan 0.000 0.482 379 G N -1.071 107.605 108.800 -0.207 0.000 2.452 379 G HA2 0.296 4.258 3.960 0.004 0.000 0.224 379 G HA3 0.296 4.258 3.960 0.004 0.000 0.224 379 G C -1.267 173.244 174.900 -0.649 0.000 1.208 379 G CA -0.156 44.418 45.100 -0.877 0.000 0.946 379 G HN -0.009 nan 8.290 nan 0.000 0.481 380 S N -0.654 114.774 115.700 -0.453 0.000 2.549 380 S HA 0.673 5.145 4.470 0.004 0.000 0.280 380 S C -1.443 173.002 174.600 -0.258 0.000 1.109 380 S CA -0.254 57.815 58.200 -0.219 0.000 0.905 380 S CB 1.837 65.069 63.200 0.053 0.000 1.081 380 S HN 0.805 nan 8.310 nan 0.000 0.477 381 E N 2.459 122.541 120.200 -0.197 0.000 2.241 381 E HA 0.695 5.048 4.350 0.004 0.000 0.263 381 E C -1.287 175.245 176.600 -0.112 0.000 0.882 381 E CA -0.784 55.485 56.400 -0.219 0.000 0.769 381 E CB 1.586 31.222 29.700 -0.107 0.000 1.185 381 E HN 0.724 nan 8.360 nan 0.000 0.415 382 A N 2.824 125.536 122.820 -0.179 0.000 2.435 382 A HA 0.944 5.267 4.320 0.004 0.000 0.304 382 A C -1.346 176.122 177.584 -0.194 0.000 1.064 382 A CA -0.162 51.684 52.037 -0.318 0.000 0.727 382 A CB 1.893 20.278 19.000 -1.024 0.000 1.284 382 A HN 0.683 nan 8.150 nan 0.000 0.415 383 A N 0.033 122.935 122.820 0.138 0.000 2.549 383 A HA 0.996 5.319 4.320 0.004 0.000 0.297 383 A C -0.479 177.413 177.584 0.513 0.000 1.061 383 A CA 0.083 52.350 52.037 0.384 0.000 0.690 383 A CB 1.329 20.515 19.000 0.309 0.000 1.287 383 A HN 2.658 nan 8.150 nan 0.000 0.402 384 A N 0.043 123.132 122.820 0.449 0.000 2.602 384 A HA 0.972 5.295 4.320 0.004 0.000 0.290 384 A C -0.572 177.046 177.584 0.058 0.000 1.114 384 A CA 0.040 52.219 52.037 0.238 0.000 0.683 384 A CB 1.291 20.494 19.000 0.338 0.000 1.281 384 A HN 2.281 nan 8.150 nan 0.000 0.416 385 S N -0.719 114.885 115.700 -0.161 0.000 2.548 385 S HA 0.683 5.156 4.470 0.004 0.000 0.278 385 S C -1.282 173.262 174.600 -0.093 0.000 1.150 385 S CA -0.115 58.051 58.200 -0.056 0.000 0.907 385 S CB 1.512 64.720 63.200 0.014 0.000 1.108 385 S HN 1.089 nan 8.310 nan 0.000 0.459 386 T N 3.340 117.940 114.554 0.077 0.000 2.812 386 T HA 0.762 5.114 4.350 0.004 0.000 0.282 386 T C -0.578 174.184 174.700 0.104 0.000 0.990 386 T CA -0.432 61.766 62.100 0.163 0.000 0.960 386 T CB 1.480 70.507 68.868 0.264 0.000 0.948 386 T HN 0.918 nan 8.240 nan 0.000 0.438 387 A N 3.159 126.052 122.820 0.121 0.000 2.310 387 A HA 0.678 5.001 4.320 0.004 0.000 0.304 387 A C -0.385 177.204 177.584 0.008 0.000 1.231 387 A CA -0.611 51.481 52.037 0.090 0.000 0.799 387 A CB 0.623 19.729 19.000 0.176 0.000 1.162 387 A HN 0.680 nan 8.150 nan 0.000 0.486 388 V N 3.700 123.537 119.914 -0.129 0.000 2.364 388 V HA 0.263 4.386 4.120 0.004 0.000 0.272 388 V C 0.014 176.015 176.094 -0.154 0.000 1.036 388 V CA -0.365 61.795 62.300 -0.234 0.000 0.880 388 V CB 1.253 32.774 31.823 -0.503 0.000 0.991 388 V HN 0.583 nan 8.190 nan 0.000 0.460 389 V N 6.423 126.261 119.914 -0.127 0.000 2.364 389 V HA 0.373 4.496 4.120 0.004 0.000 0.272 389 V C 0.136 176.111 176.094 -0.197 0.000 1.036 389 V CA -0.545 61.677 62.300 -0.129 0.000 0.880 389 V CB 1.331 33.118 31.823 -0.060 0.000 0.991 389 V HN 0.567 nan 8.190 nan 0.000 0.460 390 I N 4.364 124.805 120.570 -0.215 0.000 2.337 390 I HA 0.377 4.549 4.170 0.004 0.000 0.291 390 I C 1.071 176.986 176.117 -0.336 0.000 1.046 390 I CA 0.045 61.181 61.300 -0.274 0.000 1.324 390 I CB 0.134 38.029 38.000 -0.176 0.000 1.409 390 I HN 0.951 nan 8.210 nan 0.000 0.494 391 A N 4.562 127.035 122.820 -0.579 0.000 2.869 391 A HA -0.106 4.217 4.320 0.004 0.000 0.280 391 A C 1.053 178.485 177.584 -0.253 0.000 1.458 391 A CA 0.872 52.574 52.037 -0.560 0.000 0.776 391 A CB -1.988 16.839 19.000 -0.288 0.000 1.028 391 A HN 0.927 nan 8.150 nan 0.000 0.547 392 G N -0.403 108.275 108.800 -0.202 0.000 2.829 392 G HA2 0.570 4.532 3.960 0.004 0.000 0.173 392 G HA3 0.570 4.532 3.960 0.004 0.000 0.173 392 G C 0.233 175.139 174.900 0.010 0.000 1.476 392 G CA -0.082 44.964 45.100 -0.091 0.000 1.072 392 G HN 1.393 nan 8.290 nan 0.000 0.577 393 R N -1.143 119.387 120.500 0.051 0.000 2.664 393 R HA 0.616 4.959 4.340 0.004 0.000 0.286 393 R C -0.857 175.520 176.300 0.127 0.000 0.967 393 R CA -0.384 55.774 56.100 0.095 0.000 0.933 393 R CB 1.624 31.970 30.300 0.077 0.000 1.146 393 R HN 0.320 nan 8.270 nan 0.000 0.468 394 S N 3.769 119.553 115.700 0.139 0.000 2.439 394 S HA 0.304 4.776 4.470 0.004 0.000 0.282 394 S C 0.054 174.732 174.600 0.130 0.000 1.170 394 S CA -0.737 57.547 58.200 0.140 0.000 1.054 394 S CB 0.090 63.369 63.200 0.132 0.000 0.956 394 S HN 0.481 nan 8.310 nan 0.000 0.490 395 L N 3.583 124.907 121.223 0.167 0.000 2.416 395 L HA 0.504 4.846 4.340 0.004 0.000 0.262 395 L C 1.099 178.047 176.870 0.130 0.000 1.093 395 L CA -0.813 54.117 54.840 0.151 0.000 0.801 395 L CB 0.625 42.796 42.059 0.188 0.000 1.191 395 L HN 0.728 nan 8.230 nan 0.000 0.459 396 N N 0.990 119.750 118.700 0.101 0.000 2.414 396 N HA 0.393 5.136 4.740 0.004 0.000 0.256 396 N C -2.340 173.229 175.510 0.098 0.000 1.029 396 N CA -1.484 51.616 53.050 0.083 0.000 0.948 396 N CB -0.247 38.275 38.487 0.058 0.000 1.102 396 N HN 0.386 nan 8.380 nan 0.000 0.496 397 P HA -0.039 nan 4.420 nan 0.000 0.251 397 P C -0.699 176.661 177.300 0.100 0.000 1.154 397 P CA 0.275 63.450 63.100 0.124 0.000 0.805 397 P CB 0.097 31.857 31.700 0.099 0.000 0.759 398 N N 3.040 121.807 118.700 0.112 0.000 2.415 398 N HA 0.280 5.023 4.740 0.004 0.000 0.246 398 N C -0.108 175.457 175.510 0.091 0.000 1.078 398 N CA -0.117 52.984 53.050 0.085 0.000 0.942 398 N CB 0.046 38.576 38.487 0.072 0.000 1.140 398 N HN 0.237 nan 8.380 nan 0.000 0.501 399 R N 2.479 123.021 120.500 0.069 0.000 2.255 399 R HA 0.505 4.848 4.340 0.004 0.000 0.326 399 R C -0.376 175.956 176.300 0.053 0.000 0.986 399 R CA -0.636 55.503 56.100 0.065 0.000 0.847 399 R CB 0.188 30.513 30.300 0.041 0.000 1.111 399 R HN 0.421 nan 8.270 nan 0.000 0.452 400 V N 3.379 123.330 119.914 0.062 0.000 2.169 400 V HA 0.164 4.287 4.120 0.004 0.000 0.271 400 V C 0.369 176.488 176.094 0.042 0.000 1.372 400 V CA -0.521 61.809 62.300 0.051 0.000 1.348 400 V CB 0.266 32.124 31.823 0.058 0.000 1.379 400 V HN 0.917 nan 8.190 nan 0.000 0.491 401 T N 2.581 117.153 114.554 0.030 0.000 2.793 401 T HA 0.301 4.654 4.350 0.004 0.000 0.289 401 T C 0.010 174.721 174.700 0.019 0.000 0.956 401 T CA 0.653 62.765 62.100 0.019 0.000 1.177 401 T CB -0.070 68.804 68.868 0.010 0.000 0.897 401 T HN 0.604 nan 8.240 nan 0.000 0.533 402 F N 1.933 121.894 119.950 0.018 0.000 2.531 402 F HA 0.483 5.013 4.527 0.004 0.000 0.333 402 F C 0.547 176.357 175.800 0.016 0.000 1.292 402 F CA -1.721 56.289 58.000 0.017 0.000 1.184 402 F CB -0.327 38.682 39.000 0.015 0.000 1.426 402 F HN 0.472 nan 8.300 nan 0.000 0.559 403 K N 1.301 121.714 120.400 0.021 0.000 2.451 403 K HA 0.669 4.991 4.320 0.004 0.000 0.280 403 K C 0.590 177.225 176.600 0.057 0.000 1.020 403 K CA 0.539 56.844 56.287 0.031 0.000 1.008 403 K CB 1.048 33.564 32.500 0.027 0.000 0.917 403 K HN 1.443 nan 8.250 nan 0.000 0.478 404 A N 2.215 125.087 122.820 0.087 0.000 3.426 404 A HA 0.671 4.994 4.320 0.004 0.000 0.185 404 A C -0.116 177.601 177.584 0.221 0.000 1.057 404 A CA -0.183 51.970 52.037 0.192 0.000 1.261 404 A CB 0.798 19.910 19.000 0.187 0.000 1.676 404 A HN 0.792 nan 8.150 nan 0.000 0.658 405 N N -2.060 116.848 118.700 0.347 0.000 3.179 405 N HA 0.311 5.053 4.740 0.004 0.000 0.250 405 N C -1.446 174.217 175.510 0.256 0.000 1.507 405 N CA -0.946 52.219 53.050 0.191 0.000 0.883 405 N CB 0.795 39.294 38.487 0.021 0.000 1.435 405 N HN 0.368 nan 8.380 nan 0.000 0.532 406 R N -0.013 120.564 120.500 0.129 0.000 2.711 406 R HA -0.107 4.235 4.340 0.004 0.000 0.253 406 R C -2.491 173.944 176.300 0.225 0.000 0.879 406 R CA 0.333 56.519 56.100 0.145 0.000 0.686 406 R CB -1.961 28.401 30.300 0.104 0.000 1.618 406 R HN 0.423 nan 8.270 nan 0.000 0.525 407 P HA 0.393 nan 4.420 nan 0.000 0.278 407 P C -0.361 177.066 177.300 0.212 0.000 1.258 407 P CA -0.328 62.842 63.100 0.117 0.000 0.811 407 P CB 0.657 32.385 31.700 0.046 0.000 1.063 408 F N -1.455 118.520 119.950 0.043 0.000 2.626 408 F HA 0.619 5.150 4.527 0.007 0.000 0.311 408 F C -1.448 174.393 175.800 0.068 0.000 1.088 408 F CA -1.528 56.503 58.000 0.053 0.000 0.949 408 F CB 0.811 39.835 39.000 0.039 0.000 1.322 408 F HN -0.001 nan 8.300 nan 0.000 0.461 409 L N 3.186 124.561 121.223 0.253 0.000 2.334 409 L HA 0.757 5.100 4.340 0.004 0.000 0.277 409 L C -0.532 176.484 176.870 0.244 0.000 1.075 409 L CA -1.323 53.590 54.840 0.123 0.000 0.804 409 L CB 1.661 43.799 42.059 0.132 0.000 1.174 409 L HN 0.656 nan 8.230 nan 0.000 0.438 410 V N -0.069 119.902 119.914 0.095 0.000 2.604 410 V HA 0.589 4.712 4.120 0.004 0.000 0.305 410 V C -0.830 175.302 176.094 0.063 0.000 1.043 410 V CA -0.747 61.702 62.300 0.248 0.000 0.888 410 V CB 1.646 33.671 31.823 0.337 0.000 0.995 410 V HN 0.423 nan 8.190 nan 0.000 0.429 411 F N 3.021 123.130 119.950 0.265 0.000 2.556 411 F HA 0.714 5.243 4.527 0.004 0.000 0.314 411 F C -0.234 175.725 175.800 0.265 0.000 1.106 411 F CA -0.678 57.456 58.000 0.223 0.000 0.911 411 F CB 2.226 41.320 39.000 0.157 0.000 1.190 411 F HN 0.339 nan 8.300 nan 0.000 0.448 412 I N 4.383 125.212 120.570 0.431 0.000 2.382 412 I HA 0.471 4.644 4.170 0.004 0.000 0.285 412 I C -0.549 175.708 176.117 0.234 0.000 1.007 412 I CA -0.569 60.922 61.300 0.319 0.000 1.142 412 I CB 1.259 39.395 38.000 0.227 0.000 1.289 412 I HN 0.617 nan 8.210 nan 0.000 0.453 413 R N 4.536 125.159 120.500 0.205 0.000 2.854 413 R HA 0.580 4.923 4.340 0.004 0.000 0.271 413 R C -0.895 175.474 176.300 0.115 0.000 0.996 413 R CA -0.888 55.301 56.100 0.149 0.000 0.961 413 R CB 2.100 32.486 30.300 0.144 0.000 1.182 413 R HN 0.286 nan 8.270 nan 0.000 0.479 414 E N 2.207 122.458 120.200 0.086 0.000 2.081 414 E HA 0.118 4.470 4.350 0.004 0.000 0.276 414 E C 0.692 177.342 176.600 0.084 0.000 0.950 414 E CA -0.335 56.112 56.400 0.078 0.000 0.776 414 E CB 1.949 31.674 29.700 0.042 0.000 1.094 414 E HN 0.570 nan 8.360 nan 0.000 0.402 415 V N 6.467 126.439 119.914 0.097 0.000 2.270 415 V HA -0.154 3.968 4.120 0.004 0.000 0.245 415 V C -0.843 175.297 176.094 0.077 0.000 1.043 415 V CA 1.569 63.923 62.300 0.090 0.000 1.014 415 V CB -1.281 30.600 31.823 0.097 0.000 0.645 415 V HN 0.568 nan 8.190 nan 0.000 0.447 416 P HA -0.118 nan 4.420 nan 0.000 0.216 416 P C 1.698 179.037 177.300 0.066 0.000 1.153 416 P CA 1.525 64.659 63.100 0.055 0.000 0.848 416 P CB -0.084 31.644 31.700 0.046 0.000 0.787 417 L N -1.426 119.836 121.223 0.064 0.000 2.558 417 L HA 0.138 4.481 4.340 0.004 0.000 0.225 417 L C 0.959 177.888 176.870 0.098 0.000 1.128 417 L CA 0.191 55.074 54.840 0.072 0.000 0.868 417 L CB -0.966 41.109 42.059 0.027 0.000 1.006 417 L HN 0.118 nan 8.230 nan 0.000 0.454 418 N N 1.405 120.165 118.700 0.100 0.000 2.740 418 N HA -0.170 4.572 4.740 0.004 0.000 0.248 418 N C -0.083 175.460 175.510 0.055 0.000 1.062 418 N CA 0.752 53.861 53.050 0.098 0.000 0.704 418 N CB -0.377 38.216 38.487 0.176 0.000 0.968 418 N HN 0.447 nan 8.380 nan 0.000 0.547 419 T N -0.945 113.640 114.554 0.050 0.000 2.856 419 T HA 0.607 4.960 4.350 0.004 0.000 0.283 419 T C 0.331 175.073 174.700 0.070 0.000 1.008 419 T CA -0.792 61.335 62.100 0.044 0.000 0.997 419 T CB 1.426 70.310 68.868 0.028 0.000 0.992 419 T HN 0.196 nan 8.240 nan 0.000 0.454 420 I N 5.145 125.770 120.570 0.091 0.000 2.294 420 I HA 0.220 4.392 4.170 0.004 0.000 0.295 420 I C 1.184 177.350 176.117 0.083 0.000 1.098 420 I CA -0.537 60.850 61.300 0.145 0.000 1.277 420 I CB 0.420 38.549 38.000 0.214 0.000 1.434 420 I HN 0.697 nan 8.210 nan 0.000 0.498 421 I N 5.244 125.840 120.570 0.043 0.000 2.277 421 I HA -0.023 4.149 4.170 0.004 0.000 0.243 421 I C 0.211 176.101 176.117 -0.379 0.000 1.094 421 I CA 1.282 62.498 61.300 -0.139 0.000 1.393 421 I CB 0.029 37.962 38.000 -0.111 0.000 1.078 421 I HN 0.299 nan 8.210 nan 0.000 0.417 422 F N 0.329 120.307 119.950 0.047 0.000 2.599 422 F HA 0.642 5.171 4.527 0.004 0.000 0.311 422 F C -0.151 175.582 175.800 -0.111 0.000 1.076 422 F CA -0.925 57.028 58.000 -0.079 0.000 0.937 422 F CB 1.879 40.862 39.000 -0.028 0.000 1.282 422 F HN -0.174 nan 8.300 nan 0.000 0.460 423 M N 0.816 120.328 119.600 -0.147 0.000 2.643 423 M HA 0.946 5.428 4.480 0.004 0.000 0.276 423 M C -0.926 175.246 176.300 -0.215 0.000 1.200 423 M CA -0.544 54.598 55.300 -0.263 0.000 0.863 423 M CB 2.466 34.788 32.600 -0.463 0.000 1.711 423 M HN 0.837 nan 8.290 nan 0.000 0.492 424 G N 0.674 109.394 108.800 -0.134 0.000 2.317 424 G HA2 0.414 4.376 3.960 0.004 0.000 0.293 424 G HA3 0.414 4.376 3.960 0.004 0.000 0.293 424 G C -2.384 172.573 174.900 0.094 0.000 1.287 424 G CA -1.099 44.102 45.100 0.168 0.000 0.850 424 G HN 0.863 nan 8.290 nan 0.000 0.515 425 R N 0.248 120.844 120.500 0.161 0.000 2.337 425 R HA 0.557 4.900 4.340 0.004 0.000 0.319 425 R C -0.911 175.300 176.300 -0.149 0.000 0.954 425 R CA -0.439 55.666 56.100 0.008 0.000 0.840 425 R CB 1.432 31.793 30.300 0.100 0.000 1.164 425 R HN 0.321 nan 8.270 nan 0.000 0.472 426 V N 4.951 124.572 119.914 -0.489 0.000 2.353 426 V HA 0.223 4.346 4.120 0.004 0.000 0.264 426 V C 0.846 176.603 176.094 -0.562 0.000 1.049 426 V CA 0.154 62.047 62.300 -0.678 0.000 0.896 426 V CB 0.881 31.947 31.823 -1.261 0.000 1.025 426 V HN 0.959 nan 8.190 nan 0.000 0.475 427 A N 4.405 127.048 122.820 -0.295 0.000 2.055 427 A HA 0.227 4.549 4.320 0.004 0.000 0.205 427 A C 0.928 178.396 177.584 -0.193 0.000 1.235 427 A CA 0.120 52.073 52.037 -0.139 0.000 0.822 427 A CB 0.040 19.014 19.000 -0.044 0.000 0.903 427 A HN 0.695 nan 8.150 nan 0.000 0.473 428 N N 0.532 119.059 118.700 -0.288 0.000 2.479 428 N HA 0.354 5.097 4.740 0.004 0.000 0.261 428 N C -2.312 172.926 175.510 -0.453 0.000 0.979 428 N CA -1.608 51.203 53.050 -0.397 0.000 0.930 428 N CB 1.919 40.284 38.487 -0.203 0.000 1.172 428 N HN -0.011 nan 8.380 nan 0.000 0.499 429 P HA 0.161 nan 4.420 nan 0.000 0.255 429 P C -0.079 177.082 177.300 -0.232 0.000 1.248 429 P CA -0.057 62.778 63.100 -0.443 0.000 0.807 429 P CB 0.163 31.578 31.700 -0.475 0.000 1.150 430 c N 0.000 118.444 118.600 -0.260 0.000 2.653 430 c HA 0.000 4.572 4.570 0.004 0.000 0.325 430 c CA 0.000 56.256 56.329 -0.122 0.000 1.963 430 c CB 0.000 42.446 42.510 -0.107 0.000 2.134 430 c HN 0.000 nan 8.230 nan 0.000 0.568