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 2frx_1_B DATA FIRST_RESID 8 DATA SEQUENCE FPDAFLTQXR EAXPXXXXFD DFLAACQRPL RRSIRVNTLK ISVADFLQLT DATA SEQUENCE APYGWTLTPI PWCEEGFWXX XXXXXXXPLG STAEHLSGLF YIQEASSXLP DATA SEQUENCE VAALFADGNA PQRVXDVAAA PGSKTTQISA RXNNEGAILA NEFSASRVKV DATA SEQUENCE LHANISRCGI SNVALTHFDG RVFGAAVPEX FDAILLDAPC SGEGVVRKDP DATA SEQUENCE DALKNWSPES NQEIAATQRE LIDSAFHALR PGGTLVYSTC TLNQEENEAV DATA SEQUENCE CLWLKETYPD AVEFLPLGDL FPGANKALTE EGFLHVFPQI YDCEGFFVAR DATA SEQUENCE LRKTQAIPAL PAPKYKVGNF PFSPVKDREA GQIRQAATGV GLNWDENLRL DATA SEQUENCE WQRDKELWLF PVGIEALIGK VRFSRLGIKL AETHNKGYRW QHEAVIALAS DATA SEQUENCE PDNXNAFELT PQEAEEWYRG RDVYPQAAPV ADDVLVTFQH QPIGLAKRIG DATA SEQUENCE SRLKNSYPRE LVRDGKL 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 8 F HA 0.000 nan 4.527 nan 0.000 0.279 8 F C 0.000 175.838 175.800 0.063 0.000 0.967 8 F CA 0.000 58.038 58.000 0.064 0.000 1.383 8 F CB 0.000 39.063 39.000 0.105 0.000 1.145 9 P HA 0.119 nan 4.420 nan 0.000 0.275 9 P C 0.579 177.967 177.300 0.148 0.000 1.227 9 P CA -0.112 63.075 63.100 0.146 0.000 0.781 9 P CB 1.098 32.866 31.700 0.114 0.000 0.906 10 D N 2.093 122.568 120.400 0.124 0.000 2.108 10 D HA -0.248 4.393 4.640 0.001 0.000 0.190 10 D C 1.740 178.087 176.300 0.079 0.000 0.995 10 D CA 2.039 56.088 54.000 0.082 0.000 0.834 10 D CB -0.048 40.797 40.800 0.076 0.000 0.967 10 D HN 0.402 nan 8.370 nan 0.000 0.446 11 A N 0.343 123.254 122.820 0.152 0.000 1.971 11 A HA -0.247 4.073 4.320 0.001 0.000 0.222 11 A C 2.147 179.833 177.584 0.169 0.000 1.182 11 A CA 1.782 53.948 52.037 0.215 0.000 0.649 11 A CB -1.162 18.070 19.000 0.387 0.000 0.818 11 A HN 0.466 nan 8.150 nan 0.000 0.458 12 F N -0.454 119.356 119.950 -0.234 0.000 2.146 12 F HA -0.003 4.524 4.527 0.001 0.000 0.298 12 F C 1.823 177.475 175.800 -0.246 0.000 1.096 12 F CA 1.631 59.246 58.000 -0.641 0.000 1.275 12 F CB -0.293 37.939 39.000 -1.280 0.000 1.008 12 F HN 0.168 nan 8.300 nan 0.000 0.480 13 L N 0.040 121.064 121.223 -0.333 0.000 2.068 13 L HA -0.075 4.265 4.340 0.001 0.000 0.204 13 L C 2.196 178.918 176.870 -0.247 0.000 1.076 13 L CA 1.567 56.168 54.840 -0.398 0.000 0.753 13 L CB -0.608 41.264 42.059 -0.312 0.000 0.910 13 L HN 0.329 nan 8.230 nan 0.000 0.439 14 T N -1.813 112.651 114.554 -0.150 0.000 3.584 14 T HA 0.083 4.434 4.350 0.001 0.000 0.252 14 T C 0.183 174.820 174.700 -0.104 0.000 1.103 14 T CA -0.024 61.999 62.100 -0.127 0.000 0.977 14 T CB -0.480 68.344 68.868 -0.073 0.000 1.044 14 T HN 0.469 nan 8.240 nan 0.000 0.589 18 E N 1.061 121.145 120.200 -0.193 0.000 2.437 18 E HA 0.367 4.717 4.350 0.001 0.000 0.189 18 E C -0.269 176.272 176.600 -0.097 0.000 1.054 18 E CA 0.445 56.765 56.400 -0.134 0.000 0.874 18 E CB 1.470 31.114 29.700 -0.094 0.000 1.011 18 E HN 0.384 nan 8.360 nan 0.000 0.474 27 D N 1.584 121.807 120.400 -0.294 0.000 2.133 27 D HA -0.199 4.441 4.640 0.001 0.000 0.192 27 D C 1.352 177.479 176.300 -0.289 0.000 1.001 27 D CA 2.192 55.962 54.000 -0.382 0.000 0.844 27 D CB -0.985 39.791 40.800 -0.040 0.000 0.944 27 D HN 0.532 nan 8.370 nan 0.000 0.447 28 D N -0.742 119.578 120.400 -0.132 0.000 2.170 28 D HA -0.216 4.424 4.640 0.001 0.000 0.193 28 D C 1.547 177.815 176.300 -0.053 0.000 1.004 28 D CA 1.086 55.046 54.000 -0.067 0.000 0.860 28 D CB -0.289 40.498 40.800 -0.021 0.000 0.931 28 D HN 0.215 nan 8.370 nan 0.000 0.448 29 F N 0.721 120.534 119.950 -0.229 0.000 2.075 29 F HA -0.093 4.434 4.527 0.001 0.000 0.297 29 F C 1.935 177.656 175.800 -0.130 0.000 1.113 29 F CA 1.044 58.955 58.000 -0.149 0.000 1.218 29 F CB -0.455 38.446 39.000 -0.165 0.000 0.984 29 F HN -0.042 nan 8.300 nan 0.000 0.472 30 L N -0.110 120.861 121.223 -0.420 0.000 2.191 30 L HA -0.122 4.218 4.340 0.001 0.000 0.212 30 L C 2.460 179.226 176.870 -0.174 0.000 1.103 30 L CA 1.296 55.923 54.840 -0.355 0.000 0.769 30 L CB -0.659 41.185 42.059 -0.359 0.000 0.908 30 L HN 0.323 nan 8.230 nan 0.000 0.438 31 A N -0.325 122.395 122.820 -0.166 0.000 1.855 31 A HA -0.127 4.193 4.320 0.001 0.000 0.215 31 A C 2.412 179.940 177.584 -0.094 0.000 1.191 31 A CA 1.502 53.481 52.037 -0.097 0.000 0.613 31 A CB -0.922 18.030 19.000 -0.079 0.000 0.829 31 A HN 0.495 nan 8.150 nan 0.000 0.442 32 A N -1.263 121.494 122.820 -0.106 0.000 1.969 32 A HA -0.127 4.193 4.320 0.001 0.000 0.218 32 A C 2.237 179.753 177.584 -0.113 0.000 1.169 32 A CA 1.505 53.493 52.037 -0.082 0.000 0.635 32 A CB -1.263 17.717 19.000 -0.033 0.000 0.810 32 A HN 0.583 nan 8.150 nan 0.000 0.445 33 C N -1.302 117.867 119.300 -0.218 0.000 2.413 33 C HA -0.137 4.324 4.460 0.001 0.000 0.277 33 C C 2.688 177.591 174.990 -0.145 0.000 1.265 33 C CA 1.584 60.475 59.018 -0.212 0.000 1.752 33 C CB -1.066 26.528 27.740 -0.243 0.000 1.998 33 C HN 0.733 nan 8.230 nan 0.000 0.489 34 Q N -0.402 119.334 119.800 -0.107 0.000 2.319 34 Q HA 0.074 4.415 4.340 0.001 0.000 0.202 34 Q C 0.790 176.744 176.000 -0.076 0.000 0.896 34 Q CA -0.038 55.708 55.803 -0.096 0.000 0.942 34 Q CB 0.227 28.943 28.738 -0.037 0.000 1.083 34 Q HN 0.707 nan 8.270 nan 0.000 0.510 35 R N 0.610 121.070 120.500 -0.068 0.000 2.604 35 R HA 0.487 4.827 4.340 0.001 0.000 0.287 35 R C -2.690 173.581 176.300 -0.049 0.000 0.970 35 R CA -1.947 54.120 56.100 -0.054 0.000 0.946 35 R CB 0.833 31.103 30.300 -0.050 0.000 1.127 35 R HN -0.196 nan 8.270 nan 0.000 0.473 36 P HA 0.020 nan 4.420 nan 0.000 0.272 36 P C -0.204 177.083 177.300 -0.022 0.000 1.223 36 P CA -0.305 62.776 63.100 -0.030 0.000 0.784 36 P CB 0.794 32.478 31.700 -0.027 0.000 0.923 37 L N 2.400 123.622 121.223 -0.001 0.000 2.483 37 L HA 0.071 4.411 4.340 0.001 0.000 0.275 37 L C 1.517 178.396 176.870 0.015 0.000 1.220 37 L CA 0.004 54.857 54.840 0.022 0.000 0.833 37 L CB 0.108 42.203 42.059 0.060 0.000 1.102 37 L HN 0.336 nan 8.230 nan 0.000 0.490 38 R N 2.308 122.816 120.500 0.014 0.000 2.390 38 R HA 0.250 4.590 4.340 0.001 0.000 0.291 38 R C -0.479 175.909 176.300 0.147 0.000 1.070 38 R CA -0.833 55.282 56.100 0.025 0.000 1.014 38 R CB 0.440 30.660 30.300 -0.133 0.000 1.007 38 R HN 0.484 nan 8.270 nan 0.000 0.466 39 R N 1.056 121.608 120.500 0.087 0.000 2.583 39 R HA 0.030 4.371 4.340 0.001 0.000 0.274 39 R C 0.049 176.436 176.300 0.145 0.000 0.998 39 R CA 0.187 56.325 56.100 0.064 0.000 1.081 39 R CB 0.151 30.431 30.300 -0.033 0.000 0.940 39 R HN 0.715 nan 8.270 nan 0.000 0.413 40 S N 2.926 118.677 115.700 0.085 0.000 2.547 40 S HA 0.690 5.161 4.470 0.001 0.000 0.281 40 S C -0.353 174.217 174.600 -0.050 0.000 1.118 40 S CA -1.118 57.083 58.200 0.003 0.000 0.947 40 S CB 1.025 64.180 63.200 -0.075 0.000 1.053 40 S HN 0.656 nan 8.310 nan 0.000 0.482 41 I N 0.041 120.554 120.570 -0.095 0.000 2.689 41 I HA 0.753 4.924 4.170 0.001 0.000 0.299 41 I C -0.684 175.414 176.117 -0.032 0.000 1.059 41 I CA -1.107 60.163 61.300 -0.049 0.000 1.055 41 I CB 2.122 39.973 38.000 -0.249 0.000 1.243 41 I HN 0.852 nan 8.210 nan 0.000 0.425 42 R N 5.016 125.549 120.500 0.055 0.000 2.480 42 R HA 0.640 4.980 4.340 0.001 0.000 0.306 42 R C -1.591 174.713 176.300 0.007 0.000 0.958 42 R CA -0.617 55.477 56.100 -0.011 0.000 0.861 42 R CB 2.087 32.360 30.300 -0.045 0.000 1.171 42 R HN 0.705 nan 8.270 nan 0.000 0.445 43 V N 3.822 123.665 119.914 -0.118 0.000 2.715 43 V HA -0.005 4.115 4.120 0.001 0.000 0.299 43 V C 0.429 176.450 176.094 -0.122 0.000 1.054 43 V CA -0.139 62.003 62.300 -0.264 0.000 1.077 43 V CB 1.004 32.611 31.823 -0.360 0.000 0.972 43 V HN 0.698 nan 8.190 nan 0.000 0.484 44 N N 3.202 121.847 118.700 -0.092 0.000 2.767 44 N HA 0.116 4.856 4.740 0.001 0.000 0.238 44 N C 1.100 176.594 175.510 -0.027 0.000 1.083 44 N CA 0.076 53.107 53.050 -0.032 0.000 0.964 44 N CB 0.817 39.305 38.487 0.002 0.000 1.252 44 N HN 0.680 nan 8.380 nan 0.000 0.512 45 T N 2.666 117.196 114.554 -0.039 0.000 2.721 45 T HA -0.180 4.171 4.350 0.001 0.000 0.268 45 T C 1.790 176.487 174.700 -0.006 0.000 1.038 45 T CA 1.111 63.196 62.100 -0.025 0.000 1.145 45 T CB -0.130 68.713 68.868 -0.043 0.000 0.858 45 T HN 0.478 nan 8.240 nan 0.000 0.459 46 L N -0.067 121.153 121.223 -0.006 0.000 2.263 46 L HA -0.137 4.203 4.340 0.001 0.000 0.216 46 L C 2.509 179.389 176.870 0.017 0.000 1.111 46 L CA 1.353 56.197 54.840 0.007 0.000 0.773 46 L CB -0.336 41.729 42.059 0.011 0.000 0.906 46 L HN 0.246 nan 8.230 nan 0.000 0.439 47 K N -1.220 119.194 120.400 0.023 0.000 2.435 47 K HA 0.351 4.672 4.320 0.001 0.000 0.199 47 K C -0.008 176.625 176.600 0.055 0.000 1.153 47 K CA 0.056 56.366 56.287 0.038 0.000 0.974 47 K CB 1.720 34.246 32.500 0.044 0.000 0.997 47 K HN 0.058 nan 8.250 nan 0.000 0.547 48 I N 0.388 120.992 120.570 0.057 0.000 2.800 48 I HA 0.022 4.193 4.170 0.001 0.000 0.294 48 I C -1.023 175.135 176.117 0.068 0.000 1.538 48 I CA -0.547 60.803 61.300 0.084 0.000 1.010 48 I CB 2.008 40.106 38.000 0.165 0.000 1.381 48 I HN 0.041 nan 8.210 nan 0.000 0.462 49 S N 4.291 120.033 115.700 0.071 0.000 2.624 49 S HA 0.354 4.825 4.470 0.001 0.000 0.263 49 S C 0.976 175.633 174.600 0.094 0.000 1.287 49 S CA -0.294 57.941 58.200 0.058 0.000 0.990 49 S CB 1.621 64.847 63.200 0.044 0.000 0.950 49 S HN 0.503 nan 8.310 nan 0.000 0.561 50 V N 1.727 121.691 119.914 0.085 0.000 2.270 50 V HA -0.119 4.001 4.120 0.001 0.000 0.245 50 V C 3.053 179.235 176.094 0.148 0.000 1.043 50 V CA 2.187 64.570 62.300 0.139 0.000 1.014 50 V CB -1.942 29.974 31.823 0.155 0.000 0.645 50 V HN 1.032 nan 8.190 nan 0.000 0.447 51 A N 0.438 123.313 122.820 0.091 0.000 1.896 51 A HA -0.355 3.965 4.320 0.001 0.000 0.220 51 A C 1.975 179.585 177.584 0.044 0.000 1.206 51 A CA 2.611 54.680 52.037 0.053 0.000 0.647 51 A CB -0.879 18.140 19.000 0.032 0.000 0.828 51 A HN 0.570 nan 8.150 nan 0.000 0.455 52 D N -1.601 118.835 120.400 0.061 0.000 2.117 52 D HA -0.087 4.553 4.640 0.001 0.000 0.198 52 D C 1.622 177.952 176.300 0.051 0.000 0.982 52 D CA 1.053 55.075 54.000 0.037 0.000 0.828 52 D CB -0.516 40.307 40.800 0.040 0.000 0.967 52 D HN 0.440 nan 8.370 nan 0.000 0.464 53 F N 1.098 121.027 119.950 -0.036 0.000 2.091 53 F HA -0.232 4.295 4.527 0.001 0.000 0.299 53 F C 2.025 177.748 175.800 -0.128 0.000 1.103 53 F CA 1.014 58.987 58.000 -0.046 0.000 1.228 53 F CB -0.209 38.799 39.000 0.014 0.000 0.984 53 F HN -0.104 nan 8.300 nan 0.000 0.477 54 L N 0.362 121.582 121.223 -0.006 0.000 2.012 54 L HA -0.251 4.090 4.340 0.001 0.000 0.210 54 L C 2.503 179.221 176.870 -0.253 0.000 1.073 54 L CA 1.739 56.478 54.840 -0.169 0.000 0.748 54 L CB -1.353 40.646 42.059 -0.101 0.000 0.891 54 L HN 0.255 nan 8.230 nan 0.000 0.431 55 Q N -1.282 118.411 119.800 -0.179 0.000 2.061 55 Q HA -0.253 4.087 4.340 0.001 0.000 0.204 55 Q C 2.185 178.014 176.000 -0.285 0.000 0.984 55 Q CA 1.710 57.399 55.803 -0.190 0.000 0.846 55 Q CB -0.434 28.228 28.738 -0.126 0.000 0.902 55 Q HN 0.348 nan 8.270 nan 0.000 0.421 56 L N 0.586 121.608 121.223 -0.335 0.000 2.141 56 L HA -0.092 4.248 4.340 0.001 0.000 0.209 56 L C 1.929 178.410 176.870 -0.649 0.000 1.094 56 L CA 2.202 56.799 54.840 -0.405 0.000 0.763 56 L CB -0.496 41.355 42.059 -0.347 0.000 0.908 56 L HN 0.244 nan 8.230 nan 0.000 0.437 57 T N -4.430 109.605 114.554 -0.864 0.000 3.054 57 T HA 0.356 4.706 4.350 0.001 0.000 0.255 57 T C 1.754 175.804 174.700 -1.082 0.000 1.035 57 T CA 0.287 61.596 62.100 -1.319 0.000 0.941 57 T CB -0.170 67.803 68.868 -1.492 0.000 1.026 57 T HN 0.240 nan 8.240 nan 0.000 0.533 58 A N 3.128 125.554 122.820 -0.657 0.000 1.892 58 A HA 0.021 4.342 4.320 0.001 0.000 0.218 58 A C 0.273 177.624 177.584 -0.388 0.000 1.188 58 A CA 1.336 53.105 52.037 -0.446 0.000 0.631 58 A CB -1.837 16.990 19.000 -0.288 0.000 0.822 58 A HN 0.444 nan 8.150 nan 0.000 0.447 59 P HA -0.210 nan 4.420 nan 0.000 0.218 59 P C 0.861 178.138 177.300 -0.038 0.000 1.147 59 P CA 1.369 64.373 63.100 -0.161 0.000 0.827 59 P CB -0.261 31.384 31.700 -0.093 0.000 0.778 60 Y N -1.992 118.036 120.300 -0.453 0.000 2.561 60 Y HA 0.141 4.692 4.550 0.001 0.000 0.291 60 Y C 1.563 177.216 175.900 -0.411 0.000 1.141 60 Y CA -0.251 57.542 58.100 -0.512 0.000 1.303 60 Y CB -0.454 37.426 38.460 -0.966 0.000 1.015 60 Y HN -0.049 nan 8.280 nan 0.000 0.547 61 G N 1.187 109.862 108.800 -0.208 0.000 2.370 61 G HA2 -0.259 3.702 3.960 0.001 0.000 0.293 61 G HA3 -0.259 3.702 3.960 0.001 0.000 0.293 61 G C -0.690 174.265 174.900 0.091 0.000 0.992 61 G CA -0.272 44.790 45.100 -0.064 0.000 1.247 61 G HN 0.282 nan 8.290 nan 0.000 0.505 62 W N 0.169 121.476 121.300 0.012 0.000 2.496 62 W HA 0.672 5.332 4.660 0.001 0.000 0.327 62 W C 0.863 177.374 176.519 -0.014 0.000 1.086 62 W CA -0.951 56.397 57.345 0.004 0.000 1.222 62 W CB 1.052 30.510 29.460 -0.003 0.000 1.304 62 W HN 0.594 nan 8.180 nan 0.000 0.547 63 T N 0.949 115.652 114.554 0.247 0.000 2.806 63 T HA 0.704 5.054 4.350 0.001 0.000 0.290 63 T C -0.686 174.117 174.700 0.171 0.000 0.966 63 T CA -0.507 61.687 62.100 0.156 0.000 1.060 63 T CB 0.495 69.428 68.868 0.110 0.000 0.927 63 T HN 0.293 nan 8.240 nan 0.000 0.485 64 L N 3.980 125.293 121.223 0.150 0.000 2.388 64 L HA 0.343 4.684 4.340 0.001 0.000 0.267 64 L C 0.299 177.342 176.870 0.288 0.000 0.995 64 L CA -0.775 54.179 54.840 0.189 0.000 0.864 64 L CB 1.782 43.853 42.059 0.021 0.000 1.216 64 L HN 0.745 nan 8.230 nan 0.000 0.430 65 T N 3.750 118.506 114.554 0.337 0.000 2.851 65 T HA 0.253 4.604 4.350 0.001 0.000 0.298 65 T C -2.411 172.499 174.700 0.351 0.000 0.977 65 T CA -0.993 61.314 62.100 0.345 0.000 1.126 65 T CB 0.745 69.834 68.868 0.368 0.000 0.916 65 T HN 0.202 nan 8.240 nan 0.000 0.529 66 P HA 0.314 nan 4.420 nan 0.000 0.276 66 P C -0.387 176.695 177.300 -0.363 0.000 1.230 66 P CA -0.458 62.554 63.100 -0.146 0.000 0.776 66 P CB 0.366 32.042 31.700 -0.041 0.000 0.888 67 I N 6.340 126.418 120.570 -0.819 0.000 2.416 67 I HA 0.125 4.296 4.170 0.001 0.000 0.288 67 I C -1.309 174.228 176.117 -0.966 0.000 1.051 67 I CA -1.897 58.705 61.300 -1.165 0.000 1.375 67 I CB 1.377 38.406 38.000 -1.617 0.000 1.407 67 I HN 0.333 nan 8.210 nan 0.000 0.516 68 P HA -0.125 nan 4.420 nan 0.000 0.222 68 P C 0.316 177.391 177.300 -0.375 0.000 1.147 68 P CA 1.143 63.981 63.100 -0.436 0.000 0.790 68 P CB 0.017 31.607 31.700 -0.184 0.000 0.780 69 W N -3.005 117.949 121.300 -0.578 0.000 3.102 69 W HA 0.538 5.199 4.660 0.001 0.000 0.401 69 W C -0.566 175.754 176.519 -0.333 0.000 1.070 69 W CA -0.902 56.147 57.345 -0.493 0.000 1.921 69 W CB -0.717 28.240 29.460 -0.838 0.000 1.118 69 W HN -0.148 nan 8.180 nan 0.000 0.647 70 C N 2.478 121.538 119.300 -0.400 0.000 3.044 70 C HA 0.217 4.677 4.460 0.001 0.000 0.382 70 C C 1.248 175.979 174.990 -0.432 0.000 1.071 70 C CA -0.496 58.320 59.018 -0.337 0.000 1.296 70 C CB 0.052 27.577 27.740 -0.358 0.000 1.730 70 C HN 0.469 nan 8.230 nan 0.000 0.513 71 E N 1.314 121.341 120.200 -0.289 0.000 2.409 71 E HA -0.137 4.214 4.350 0.001 0.000 0.198 71 E C 0.763 177.177 176.600 -0.309 0.000 1.024 71 E CA 1.006 57.236 56.400 -0.282 0.000 0.861 71 E CB 0.413 30.030 29.700 -0.138 0.000 0.788 71 E HN 0.701 nan 8.360 nan 0.000 0.521 72 E N 0.243 120.266 120.200 -0.295 0.000 2.463 72 E HA 0.110 4.461 4.350 0.001 0.000 0.193 72 E C 0.297 176.687 176.600 -0.351 0.000 1.041 72 E CA -0.024 56.241 56.400 -0.225 0.000 0.879 72 E CB 0.972 30.579 29.700 -0.155 0.000 0.997 72 E HN 0.143 nan 8.360 nan 0.000 0.478 73 G N -0.136 108.259 108.800 -0.676 0.000 2.416 73 G HA2 0.606 4.567 3.960 0.001 0.000 0.329 73 G HA3 0.606 4.567 3.960 0.001 0.000 0.329 73 G C -0.981 173.201 174.900 -1.196 0.000 1.173 73 G CA -0.465 44.193 45.100 -0.736 0.000 0.929 73 G HN -0.000 nan 8.290 nan 0.000 0.475 74 F N -0.321 119.392 119.950 -0.396 0.000 2.626 74 F HA 0.585 5.113 4.527 0.001 0.000 0.311 74 F C -0.359 175.248 175.800 -0.322 0.000 1.088 74 F CA -1.106 56.713 58.000 -0.303 0.000 0.949 74 F CB 2.008 40.944 39.000 -0.106 0.000 1.322 74 F HN 0.341 nan 8.300 nan 0.000 0.461 86 L N 1.000 122.209 121.223 -0.024 0.000 2.021 86 L HA -0.168 4.172 4.340 0.001 0.000 0.215 86 L C 2.280 179.130 176.870 -0.033 0.000 1.074 86 L CA 2.652 57.501 54.840 0.016 0.000 0.760 86 L CB -0.343 41.701 42.059 -0.024 0.000 0.889 86 L HN 0.607 nan 8.230 nan 0.000 0.433 87 G N -1.987 106.680 108.800 -0.222 0.000 2.471 87 G HA2 -0.197 3.764 3.960 0.001 0.000 0.219 87 G HA3 -0.197 3.764 3.960 0.001 0.000 0.219 87 G C 1.198 175.969 174.900 -0.215 0.000 1.125 87 G CA 0.743 45.548 45.100 -0.491 0.000 0.775 87 G HN 0.514 nan 8.290 nan 0.000 0.548 88 S N -0.562 115.087 115.700 -0.086 0.000 2.552 88 S HA 0.341 4.811 4.470 0.001 0.000 0.246 88 S C 0.331 174.934 174.600 0.004 0.000 1.019 88 S CA -0.302 57.871 58.200 -0.045 0.000 1.045 88 S CB 0.377 63.554 63.200 -0.040 0.000 0.784 88 S HN 0.029 nan 8.310 nan 0.000 0.453 89 T N 1.248 115.850 114.554 0.079 0.000 2.795 89 T HA 0.623 4.973 4.350 0.001 0.000 0.282 89 T C 1.441 176.245 174.700 0.174 0.000 0.980 89 T CA -0.002 62.202 62.100 0.174 0.000 1.012 89 T CB 0.977 70.073 68.868 0.380 0.000 0.936 89 T HN 0.368 nan 8.240 nan 0.000 0.457 90 A N 4.454 127.380 122.820 0.177 0.000 1.923 90 A HA -0.231 4.090 4.320 0.001 0.000 0.222 90 A C 1.976 179.699 177.584 0.231 0.000 1.258 90 A CA 2.688 54.855 52.037 0.215 0.000 0.670 90 A CB -0.951 18.280 19.000 0.384 0.000 0.834 90 A HN 0.920 nan 8.150 nan 0.000 0.470 91 E N -1.520 118.877 120.200 0.328 0.000 2.085 91 E HA -0.207 4.143 4.350 0.001 0.000 0.194 91 E C 2.028 178.647 176.600 0.032 0.000 0.994 91 E CA 1.339 57.932 56.400 0.321 0.000 0.801 91 E CB -0.372 29.689 29.700 0.601 0.000 0.743 91 E HN 0.814 nan 8.360 nan 0.000 0.453 92 H N -0.005 118.928 119.070 -0.228 0.000 2.357 92 H HA -0.034 4.523 4.556 0.001 0.000 0.301 92 H C 2.012 177.165 175.328 -0.292 0.000 1.082 92 H CA 1.201 56.893 56.048 -0.593 0.000 1.342 92 H CB -0.000 29.485 29.762 -0.462 0.000 1.389 92 H HN 0.154 nan 8.280 nan 0.000 0.511 93 L N 0.622 121.797 121.223 -0.079 0.000 2.083 93 L HA -0.137 4.204 4.340 0.001 0.000 0.209 93 L C 2.359 179.229 176.870 0.000 0.000 1.083 93 L CA 1.551 56.317 54.840 -0.123 0.000 0.752 93 L CB -0.180 41.601 42.059 -0.462 0.000 0.899 93 L HN 0.272 nan 8.230 nan 0.000 0.433 94 S N -0.829 114.909 115.700 0.064 0.000 2.634 94 S HA 0.263 4.733 4.470 0.001 0.000 0.221 94 S C 1.288 175.907 174.600 0.032 0.000 0.952 94 S CA 0.128 58.407 58.200 0.132 0.000 0.930 94 S CB 0.173 63.494 63.200 0.201 0.000 0.780 94 S HN 0.481 nan 8.310 nan 0.000 0.498 95 G N 1.495 110.232 108.800 -0.106 0.000 2.246 95 G HA2 -0.232 3.729 3.960 0.001 0.000 0.273 95 G HA3 -0.232 3.729 3.960 0.001 0.000 0.273 95 G C 0.312 175.159 174.900 -0.089 0.000 1.055 95 G CA 0.493 45.495 45.100 -0.163 0.000 0.851 95 G HN 0.608 nan 8.290 nan 0.000 0.500 96 L N -1.569 119.624 121.223 -0.049 0.000 2.567 96 L HA 0.508 4.848 4.340 0.001 0.000 0.225 96 L C 0.979 177.901 176.870 0.086 0.000 1.119 96 L CA 0.158 55.063 54.840 0.108 0.000 0.871 96 L CB -0.256 42.014 42.059 0.353 0.000 1.036 96 L HN 0.503 nan 8.230 nan 0.000 0.459 97 F N -2.778 117.169 119.950 -0.006 0.000 2.686 97 F HA 0.578 5.105 4.527 0.001 0.000 0.311 97 F C -1.415 174.391 175.800 0.010 0.000 1.128 97 F CA -1.897 56.073 58.000 -0.049 0.000 0.946 97 F CB 0.983 39.947 39.000 -0.060 0.000 1.336 97 F HN -0.270 nan 8.300 nan 0.000 0.457 98 Y N 2.248 122.710 120.300 0.270 0.000 2.364 98 Y HA 0.671 5.221 4.550 0.001 0.000 0.340 98 Y C -0.447 175.666 175.900 0.355 0.000 0.975 98 Y CA -1.126 57.093 58.100 0.198 0.000 1.089 98 Y CB 1.522 40.025 38.460 0.071 0.000 1.192 98 Y HN 0.653 nan 8.280 nan 0.000 0.454 99 I N 6.931 127.681 120.570 0.300 0.000 2.372 99 I HA 0.078 4.248 4.170 0.001 0.000 0.298 99 I C -0.562 175.776 176.117 0.368 0.000 1.137 99 I CA 0.491 61.968 61.300 0.295 0.000 1.314 99 I CB -0.220 37.869 38.000 0.149 0.000 1.444 99 I HN 0.546 nan 8.210 nan 0.000 0.541 100 Q N 5.673 125.659 119.800 0.310 0.000 2.416 100 Q HA 0.516 4.857 4.340 0.001 0.000 0.281 100 Q C -1.312 174.732 176.000 0.073 0.000 1.067 100 Q CA -1.117 54.812 55.803 0.210 0.000 0.809 100 Q CB 1.858 30.690 28.738 0.156 0.000 1.418 100 Q HN 0.507 nan 8.270 nan 0.000 0.411 101 E N 1.113 121.347 120.200 0.057 0.000 2.343 101 E HA 0.364 4.714 4.350 0.001 0.000 0.269 101 E C 0.348 176.928 176.600 -0.034 0.000 1.047 101 E CA 0.034 56.456 56.400 0.036 0.000 0.874 101 E CB 1.176 30.914 29.700 0.063 0.000 1.033 101 E HN 0.746 nan 8.360 nan 0.000 0.409 102 A N 3.528 126.333 122.820 -0.025 0.000 1.903 102 A HA -0.297 4.023 4.320 0.001 0.000 0.219 102 A C 2.221 179.845 177.584 0.067 0.000 1.191 102 A CA 2.439 54.459 52.037 -0.029 0.000 0.638 102 A CB -1.139 17.896 19.000 0.059 0.000 0.823 102 A HN 0.736 nan 8.150 nan 0.000 0.451 103 S N 0.802 116.412 115.700 -0.150 0.000 2.390 103 S HA -0.219 4.251 4.470 0.001 0.000 0.234 103 S C 1.481 175.386 174.600 -1.158 0.000 1.063 103 S CA 1.361 59.031 58.200 -0.883 0.000 1.108 103 S CB -1.254 61.413 63.200 -0.888 0.000 0.975 103 S HN 0.897 nan 8.310 nan 0.000 0.442 107 P HA -0.038 nan 4.420 nan 0.000 0.216 107 P C 1.774 179.115 177.300 0.068 0.000 1.153 107 P CA 1.963 65.092 63.100 0.049 0.000 0.848 107 P CB 0.101 31.862 31.700 0.103 0.000 0.787 108 V N -0.162 119.800 119.914 0.081 0.000 2.626 108 V HA -0.193 3.928 4.120 0.001 0.000 0.252 108 V C 2.413 178.640 176.094 0.223 0.000 1.067 108 V CA 1.906 64.306 62.300 0.167 0.000 1.081 108 V CB -1.718 30.168 31.823 0.106 0.000 0.686 108 V HN 0.095 nan 8.190 nan 0.000 0.468 109 A N 0.418 123.309 122.820 0.118 0.000 1.873 109 A HA -0.091 4.229 4.320 0.001 0.000 0.215 109 A C 2.458 180.145 177.584 0.172 0.000 1.186 109 A CA 1.962 54.076 52.037 0.128 0.000 0.616 109 A CB -0.809 18.247 19.000 0.095 0.000 0.823 109 A HN 0.548 nan 8.150 nan 0.000 0.442 110 A N -0.671 122.219 122.820 0.116 0.000 1.933 110 A HA -0.058 4.262 4.320 0.001 0.000 0.218 110 A C 2.107 179.754 177.584 0.105 0.000 1.175 110 A CA 1.713 53.810 52.037 0.100 0.000 0.628 110 A CB -0.601 18.431 19.000 0.053 0.000 0.814 110 A HN 0.621 nan 8.150 nan 0.000 0.444 111 L N -1.454 119.839 121.223 0.117 0.000 2.079 111 L HA -0.052 4.288 4.340 0.001 0.000 0.210 111 L C 1.388 178.168 176.870 -0.151 0.000 1.081 111 L CA 1.834 56.661 54.840 -0.022 0.000 0.752 111 L CB -0.424 41.605 42.059 -0.051 0.000 0.896 111 L HN 0.430 nan 8.230 nan 0.000 0.433 112 F N -0.677 119.290 119.950 0.028 0.000 2.654 112 F HA 0.465 4.992 4.527 0.001 0.000 0.303 112 F C 1.215 177.036 175.800 0.036 0.000 1.099 112 F CA -0.297 57.721 58.000 0.030 0.000 1.270 112 F CB -0.604 38.410 39.000 0.023 0.000 1.024 112 F HN -0.016 nan 8.300 nan 0.000 0.548 113 A N 0.301 123.242 122.820 0.203 0.000 2.466 113 A HA 0.165 4.486 4.320 0.001 0.000 0.238 113 A C 0.719 178.370 177.584 0.113 0.000 1.074 113 A CA 0.077 52.201 52.037 0.145 0.000 0.774 113 A CB -0.157 18.917 19.000 0.124 0.000 1.015 113 A HN 0.541 nan 8.150 nan 0.000 0.498 114 D N 0.168 120.626 120.400 0.097 0.000 2.716 114 D HA -0.171 4.469 4.640 0.001 0.000 0.239 114 D C 0.868 177.212 176.300 0.074 0.000 1.125 114 D CA 1.875 55.920 54.000 0.075 0.000 0.681 114 D CB -1.824 39.015 40.800 0.065 0.000 1.070 114 D HN 1.983 nan 8.370 nan 0.000 0.432 115 G N 0.487 109.341 108.800 0.089 0.000 2.337 115 G HA2 -0.400 3.560 3.960 0.001 0.000 0.290 115 G HA3 -0.400 3.560 3.960 0.001 0.000 0.290 115 G C 0.241 175.197 174.900 0.094 0.000 1.003 115 G CA 0.626 45.781 45.100 0.092 0.000 0.825 115 G HN 0.666 nan 8.290 nan 0.000 0.509 116 N N 0.311 119.068 118.700 0.096 0.000 2.452 116 N HA 0.489 5.230 4.740 0.001 0.000 0.266 116 N C 0.252 175.812 175.510 0.083 0.000 1.175 116 N CA 0.617 53.697 53.050 0.050 0.000 0.945 116 N CB 0.714 39.197 38.487 -0.007 0.000 1.063 116 N HN 0.756 nan 8.380 nan 0.000 0.472 117 A N 4.933 127.791 122.820 0.063 0.000 2.938 117 A HA 0.372 4.692 4.320 0.001 0.000 0.344 117 A C -2.311 175.300 177.584 0.045 0.000 1.142 117 A CA -1.137 50.967 52.037 0.113 0.000 0.841 117 A CB -0.020 19.054 19.000 0.123 0.000 1.083 117 A HN 0.671 nan 8.150 nan 0.000 0.479 118 P HA 0.264 nan 4.420 nan 0.000 0.274 118 P C -0.123 177.196 177.300 0.032 0.000 1.231 118 P CA -0.027 63.046 63.100 -0.045 0.000 0.790 118 P CB 1.275 32.880 31.700 -0.157 0.000 0.951 119 Q N -0.158 119.667 119.800 0.043 0.000 2.316 119 Q HA 0.138 4.478 4.340 0.001 0.000 0.235 119 Q C 0.611 176.659 176.000 0.079 0.000 0.863 119 Q CA 0.129 55.971 55.803 0.066 0.000 0.939 119 Q CB 0.784 29.552 28.738 0.050 0.000 1.108 119 Q HN 0.348 nan 8.270 nan 0.000 0.522 120 R N 0.750 121.303 120.500 0.089 0.000 2.473 120 R HA 0.472 4.813 4.340 0.001 0.000 0.303 120 R C -1.599 174.853 176.300 0.254 0.000 1.002 120 R CA -0.198 55.995 56.100 0.154 0.000 0.884 120 R CB 1.239 31.602 30.300 0.105 0.000 1.173 120 R HN -0.149 nan 8.270 nan 0.000 0.464 124 V N 1.563 121.376 119.914 -0.168 0.000 2.323 124 V HA 0.174 4.295 4.120 0.001 0.000 0.244 124 V C 1.441 177.531 176.094 -0.007 0.000 1.041 124 V CA 1.606 63.830 62.300 -0.127 0.000 1.025 124 V CB -0.425 31.352 31.823 -0.077 0.000 0.656 124 V HN 0.695 nan 8.190 nan 0.000 0.451 125 A N -0.522 122.296 122.820 -0.003 0.000 2.786 125 A HA 0.770 5.090 4.320 0.001 0.000 0.346 125 A C 1.076 178.677 177.584 0.028 0.000 1.265 125 A CA 0.294 52.349 52.037 0.030 0.000 0.858 125 A CB 0.636 19.645 19.000 0.016 0.000 1.118 125 A HN 0.361 nan 8.150 nan 0.000 0.482 126 A N 1.400 124.244 122.820 0.041 0.000 2.021 126 A HA 0.515 4.836 4.320 0.001 0.000 0.216 126 A C 1.509 179.130 177.584 0.062 0.000 1.163 126 A CA 0.967 53.028 52.037 0.041 0.000 0.676 126 A CB -0.339 18.688 19.000 0.044 0.000 0.818 126 A HN 1.506 nan 8.150 nan 0.000 0.453 127 A N 0.793 123.662 122.820 0.081 0.000 2.498 127 A HA 0.443 4.763 4.320 0.001 0.000 0.239 127 A C -1.139 176.500 177.584 0.092 0.000 1.068 127 A CA -0.473 51.622 52.037 0.097 0.000 0.766 127 A CB -0.030 19.032 19.000 0.102 0.000 1.003 127 A HN 0.275 nan 8.150 nan 0.000 0.497 128 P HA 0.219 nan 4.420 nan 0.000 0.262 128 P C 0.687 178.091 177.300 0.174 0.000 1.304 128 P CA 0.925 64.111 63.100 0.143 0.000 0.859 128 P CB 0.509 32.306 31.700 0.162 0.000 1.310 129 G N 0.288 109.155 108.800 0.112 0.000 2.205 129 G HA2 -0.281 3.679 3.960 0.001 0.000 0.180 129 G HA3 -0.281 3.679 3.960 0.001 0.000 0.180 129 G C 1.231 176.046 174.900 -0.142 0.000 1.004 129 G CA 0.425 45.564 45.100 0.065 0.000 0.670 129 G HN 0.391 nan 8.290 nan 0.000 0.496 130 S N 0.798 116.377 115.700 -0.201 0.000 2.365 130 S HA -0.163 4.307 4.470 0.001 0.000 0.225 130 S C 2.078 176.436 174.600 -0.404 0.000 1.039 130 S CA 1.839 59.680 58.200 -0.598 0.000 1.033 130 S CB -0.356 62.718 63.200 -0.210 0.000 0.887 130 S HN 0.594 nan 8.310 nan 0.000 0.447 131 K N 0.580 120.878 120.400 -0.171 0.000 2.076 131 K HA 0.042 4.363 4.320 0.001 0.000 0.204 131 K C 2.502 179.058 176.600 -0.074 0.000 1.051 131 K CA 1.319 57.547 56.287 -0.098 0.000 0.949 131 K CB -0.923 31.563 32.500 -0.024 0.000 0.726 131 K HN 0.389 nan 8.250 nan 0.000 0.443 132 T N 1.753 116.275 114.554 -0.054 0.000 2.653 132 T HA -0.191 4.160 4.350 0.001 0.000 0.268 132 T C 2.193 176.878 174.700 -0.025 0.000 1.035 132 T CA 2.506 64.598 62.100 -0.012 0.000 1.154 132 T CB -0.553 68.325 68.868 0.017 0.000 0.862 132 T HN 0.533 nan 8.240 nan 0.000 0.441 133 T N 0.412 114.913 114.554 -0.089 0.000 2.777 133 T HA -0.137 4.214 4.350 0.001 0.000 0.266 133 T C 1.981 176.626 174.700 -0.092 0.000 1.040 133 T CA 1.452 63.508 62.100 -0.074 0.000 1.141 133 T CB -0.513 68.296 68.868 -0.099 0.000 0.868 133 T HN 0.419 nan 8.240 nan 0.000 0.444 134 Q N 0.610 120.321 119.800 -0.149 0.000 2.077 134 Q HA -0.130 4.211 4.340 0.001 0.000 0.206 134 Q C 2.308 178.237 176.000 -0.118 0.000 0.989 134 Q CA 1.965 57.687 55.803 -0.136 0.000 0.853 134 Q CB -0.354 28.300 28.738 -0.139 0.000 0.907 134 Q HN 0.586 nan 8.270 nan 0.000 0.418 135 I N 0.145 120.695 120.570 -0.033 0.000 2.179 135 I HA -0.245 3.925 4.170 0.001 0.000 0.242 135 I C 2.543 178.680 176.117 0.033 0.000 1.088 135 I CA 1.512 62.856 61.300 0.075 0.000 1.357 135 I CB -1.522 36.592 38.000 0.191 0.000 1.051 135 I HN 0.311 nan 8.210 nan 0.000 0.409 136 S N 1.061 116.779 115.700 0.030 0.000 2.353 136 S HA -0.185 4.286 4.470 0.001 0.000 0.222 136 S C 2.316 176.909 174.600 -0.012 0.000 1.035 136 S CA 1.714 59.937 58.200 0.037 0.000 1.025 136 S CB -0.301 62.925 63.200 0.044 0.000 0.902 136 S HN 0.477 nan 8.310 nan 0.000 0.440 137 A N 2.938 125.727 122.820 -0.052 0.000 1.903 137 A HA -0.097 4.223 4.320 0.001 0.000 0.219 137 A C 1.611 179.116 177.584 -0.132 0.000 1.191 137 A CA 1.124 53.115 52.037 -0.077 0.000 0.638 137 A CB -0.721 18.226 19.000 -0.088 0.000 0.823 137 A HN 0.527 nan 8.150 nan 0.000 0.451 141 N N -0.146 118.582 118.700 0.047 0.000 2.778 141 N HA -0.196 4.544 4.740 0.001 0.000 0.249 141 N C -0.702 174.854 175.510 0.077 0.000 1.069 141 N CA 0.943 54.032 53.050 0.064 0.000 0.831 141 N CB -0.043 38.482 38.487 0.063 0.000 1.142 141 N HN 0.310 nan 8.380 nan 0.000 0.573 142 E N -0.104 120.142 120.200 0.077 0.000 2.359 142 E HA 0.546 4.896 4.350 0.001 0.000 0.255 142 E C 1.369 178.021 176.600 0.086 0.000 1.191 142 E CA 0.504 56.951 56.400 0.079 0.000 0.952 142 E CB 0.270 30.013 29.700 0.072 0.000 1.152 142 E HN 0.391 nan 8.360 nan 0.000 0.496 143 G N -0.098 108.749 108.800 0.078 0.000 2.569 143 G HA2 0.062 4.023 3.960 0.001 0.000 0.259 143 G HA3 0.062 4.023 3.960 0.001 0.000 0.259 143 G C -0.529 174.420 174.900 0.082 0.000 1.263 143 G CA 0.135 45.282 45.100 0.078 0.000 0.928 143 G HN 0.948 nan 8.290 nan 0.000 0.572 144 A N -1.322 121.552 122.820 0.090 0.000 2.594 144 A HA 0.802 5.122 4.320 0.001 0.000 0.295 144 A C -0.685 176.972 177.584 0.122 0.000 1.071 144 A CA -0.150 51.942 52.037 0.092 0.000 0.685 144 A CB 1.316 20.355 19.000 0.064 0.000 1.285 144 A HN 1.447 nan 8.150 nan 0.000 0.405 145 I N 1.158 121.799 120.570 0.117 0.000 2.498 145 I HA 0.419 4.589 4.170 0.001 0.000 0.290 145 I C -0.768 175.432 176.117 0.139 0.000 1.032 145 I CA -0.493 60.878 61.300 0.118 0.000 1.073 145 I CB 1.984 40.039 38.000 0.092 0.000 1.251 145 I HN 0.600 nan 8.210 nan 0.000 0.426 146 L N 5.881 127.187 121.223 0.139 0.000 2.262 146 L HA 0.660 5.000 4.340 0.001 0.000 0.288 146 L C 0.067 176.952 176.870 0.026 0.000 1.035 146 L CA -0.350 54.587 54.840 0.162 0.000 0.820 146 L CB 0.997 43.203 42.059 0.246 0.000 1.204 146 L HN 0.794 nan 8.230 nan 0.000 0.424 147 A N 4.386 127.258 122.820 0.087 0.000 2.582 147 A HA 0.311 4.631 4.320 0.001 0.000 0.336 147 A C -0.365 177.268 177.584 0.082 0.000 1.445 147 A CA -0.576 51.494 52.037 0.055 0.000 0.997 147 A CB -0.068 18.982 19.000 0.082 0.000 1.148 147 A HN 0.790 nan 8.150 nan 0.000 0.514 148 N N 1.368 120.098 118.700 0.051 0.000 2.518 148 N HA 0.435 5.176 4.740 0.001 0.000 0.283 148 N C -0.595 174.985 175.510 0.118 0.000 1.119 148 N CA 0.070 53.205 53.050 0.141 0.000 0.983 148 N CB 0.955 39.602 38.487 0.267 0.000 1.139 148 N HN 0.528 nan 8.380 nan 0.000 0.465 149 E N 3.040 123.309 120.200 0.113 0.000 2.274 149 E HA 0.173 4.524 4.350 0.001 0.000 0.269 149 E C -0.795 175.828 176.600 0.039 0.000 0.891 149 E CA -0.579 55.886 56.400 0.107 0.000 0.784 149 E CB 0.218 29.987 29.700 0.115 0.000 1.225 149 E HN 0.536 nan 8.360 nan 0.000 0.412 150 F N 3.089 122.984 119.950 -0.093 0.000 2.146 150 F HA 0.091 4.619 4.527 0.001 0.000 0.298 150 F C 1.026 176.684 175.800 -0.236 0.000 1.096 150 F CA 1.042 58.905 58.000 -0.228 0.000 1.275 150 F CB 0.380 39.320 39.000 -0.101 0.000 1.008 150 F HN 0.406 nan 8.300 nan 0.000 0.480 151 S N -0.045 115.639 115.700 -0.027 0.000 2.489 151 S HA 0.475 4.946 4.470 0.001 0.000 0.277 151 S C 1.030 175.710 174.600 0.134 0.000 1.230 151 S CA -0.102 58.099 58.200 0.001 0.000 1.053 151 S CB 1.225 64.478 63.200 0.088 0.000 0.955 151 S HN 0.469 nan 8.310 nan 0.000 0.488 152 A N 4.625 127.565 122.820 0.200 0.000 1.908 152 A HA -0.084 4.236 4.320 0.001 0.000 0.218 152 A C 2.266 179.866 177.584 0.027 0.000 1.181 152 A CA 2.309 54.373 52.037 0.044 0.000 0.627 152 A CB -1.235 17.688 19.000 -0.128 0.000 0.818 152 A HN 0.892 nan 8.150 nan 0.000 0.445 153 S N 0.131 115.851 115.700 0.034 0.000 2.374 153 S HA -0.219 4.252 4.470 0.001 0.000 0.227 153 S C 1.842 176.478 174.600 0.060 0.000 1.037 153 S CA 1.584 59.806 58.200 0.038 0.000 1.024 153 S CB -0.375 62.848 63.200 0.038 0.000 0.861 153 S HN 0.671 nan 8.310 nan 0.000 0.456 154 R N 0.433 120.980 120.500 0.078 0.000 2.297 154 R HA 0.197 4.537 4.340 0.001 0.000 0.197 154 R C 1.857 178.222 176.300 0.107 0.000 0.943 154 R CA 0.244 56.398 56.100 0.091 0.000 1.038 154 R CB -0.291 30.066 30.300 0.096 0.000 0.957 154 R HN 0.266 nan 8.270 nan 0.000 0.484 155 V N 1.582 121.562 119.914 0.110 0.000 2.358 155 V HA -0.245 3.875 4.120 0.001 0.000 0.246 155 V C 1.986 178.165 176.094 0.142 0.000 1.047 155 V CA 1.730 64.103 62.300 0.122 0.000 1.035 155 V CB -0.300 31.584 31.823 0.102 0.000 0.658 155 V HN 0.275 nan 8.190 nan 0.000 0.452 156 K N -0.078 120.396 120.400 0.123 0.000 2.147 156 K HA -0.110 4.210 4.320 0.001 0.000 0.205 156 K C 1.996 178.685 176.600 0.148 0.000 1.049 156 K CA 1.281 57.662 56.287 0.156 0.000 0.936 156 K CB -0.347 32.217 32.500 0.107 0.000 0.722 156 K HN 0.377 nan 8.250 nan 0.000 0.446 157 V N 1.799 121.783 119.914 0.116 0.000 2.358 157 V HA -0.214 3.907 4.120 0.001 0.000 0.246 157 V C 2.200 178.369 176.094 0.125 0.000 1.047 157 V CA 1.363 63.725 62.300 0.103 0.000 1.035 157 V CB -0.435 31.445 31.823 0.094 0.000 0.658 157 V HN 0.293 nan 8.190 nan 0.000 0.452 158 L N -0.315 120.999 121.223 0.150 0.000 2.046 158 L HA -0.240 4.101 4.340 0.001 0.000 0.208 158 L C 2.722 179.709 176.870 0.194 0.000 1.077 158 L CA 2.182 57.122 54.840 0.166 0.000 0.747 158 L CB -0.468 41.687 42.059 0.160 0.000 0.896 158 L HN 0.520 nan 8.230 nan 0.000 0.432 159 H N -0.276 118.857 119.070 0.106 0.000 2.357 159 H HA -0.121 4.435 4.556 0.001 0.000 0.301 159 H C 1.995 177.386 175.328 0.105 0.000 1.082 159 H CA 1.609 57.724 56.048 0.111 0.000 1.342 159 H CB -0.200 29.628 29.762 0.111 0.000 1.389 159 H HN 0.367 nan 8.280 nan 0.000 0.511 160 A N 1.009 123.758 122.820 -0.120 0.000 1.873 160 A HA -0.266 4.054 4.320 0.001 0.000 0.218 160 A C 2.420 179.972 177.584 -0.054 0.000 1.193 160 A CA 1.899 53.842 52.037 -0.156 0.000 0.629 160 A CB -0.788 18.186 19.000 -0.042 0.000 0.826 160 A HN 0.631 nan 8.150 nan 0.000 0.447 161 N N -0.288 118.438 118.700 0.043 0.000 2.166 161 N HA -0.101 4.640 4.740 0.001 0.000 0.186 161 N C 1.756 177.338 175.510 0.120 0.000 1.019 161 N CA 1.514 54.627 53.050 0.106 0.000 0.856 161 N CB -0.285 38.340 38.487 0.230 0.000 0.993 161 N HN 0.575 nan 8.380 nan 0.000 0.426 162 I N 0.082 120.719 120.570 0.111 0.000 2.202 162 I HA -0.214 3.957 4.170 0.001 0.000 0.242 162 I C 2.504 178.667 176.117 0.077 0.000 1.091 162 I CA 0.731 62.101 61.300 0.116 0.000 1.368 162 I CB -0.250 37.847 38.000 0.162 0.000 1.058 162 I HN 0.077 nan 8.210 nan 0.000 0.410 163 S N 0.615 116.329 115.700 0.022 0.000 2.382 163 S HA -0.207 4.264 4.470 0.001 0.000 0.228 163 S C 2.216 176.820 174.600 0.006 0.000 1.027 163 S CA 1.237 59.437 58.200 0.000 0.000 0.991 163 S CB -0.246 62.895 63.200 -0.099 0.000 0.823 163 S HN 0.280 nan 8.310 nan 0.000 0.469 164 R N -0.362 120.142 120.500 0.006 0.000 2.105 164 R HA -0.053 4.287 4.340 0.001 0.000 0.239 164 R C 1.787 178.087 176.300 -0.001 0.000 1.135 164 R CA 1.818 57.922 56.100 0.006 0.000 0.967 164 R CB -0.457 29.820 30.300 -0.039 0.000 0.861 164 R HN 0.501 nan 8.270 nan 0.000 0.442 165 C N -0.197 119.115 119.300 0.020 0.000 2.697 165 C HA 0.308 4.768 4.460 0.001 0.000 0.267 165 C C 1.125 176.132 174.990 0.029 0.000 1.278 165 C CA 0.051 59.084 59.018 0.025 0.000 1.708 165 C CB -0.526 27.249 27.740 0.059 0.000 1.860 165 C HN 0.765 nan 8.230 nan 0.000 0.589 166 G N 1.910 110.726 108.800 0.027 0.000 2.273 166 G HA2 -0.219 3.742 3.960 0.001 0.000 0.280 166 G HA3 -0.219 3.742 3.960 0.001 0.000 0.280 166 G C -0.116 174.813 174.900 0.049 0.000 1.047 166 G CA -0.203 44.913 45.100 0.028 0.000 0.869 166 G HN 0.535 nan 8.290 nan 0.000 0.502 167 I N 1.054 121.663 120.570 0.065 0.000 2.416 167 I HA 0.255 4.426 4.170 0.001 0.000 0.288 167 I C 1.404 177.582 176.117 0.103 0.000 1.051 167 I CA 0.849 62.196 61.300 0.080 0.000 1.375 167 I CB 1.236 39.287 38.000 0.085 0.000 1.407 167 I HN 0.360 nan 8.210 nan 0.000 0.516 168 S N 3.064 118.828 115.700 0.108 0.000 2.666 168 S HA 0.012 4.482 4.470 0.001 0.000 0.239 168 S C 0.695 175.378 174.600 0.138 0.000 1.031 168 S CA -0.445 57.835 58.200 0.134 0.000 1.015 168 S CB -0.203 63.080 63.200 0.137 0.000 0.981 168 S HN 0.746 nan 8.310 nan 0.000 0.547 169 N N 1.518 120.288 118.700 0.117 0.000 2.378 169 N HA 0.191 4.931 4.740 0.001 0.000 0.243 169 N C -0.595 174.974 175.510 0.099 0.000 1.137 169 N CA -0.286 52.828 53.050 0.107 0.000 0.862 169 N CB 0.281 38.827 38.487 0.098 0.000 1.116 169 N HN 0.253 nan 8.380 nan 0.000 0.499 170 V N 0.167 120.146 119.914 0.109 0.000 2.555 170 V HA 0.824 4.945 4.120 0.001 0.000 0.302 170 V C -0.146 175.998 176.094 0.083 0.000 1.038 170 V CA -1.005 61.358 62.300 0.104 0.000 0.887 170 V CB 1.369 33.266 31.823 0.122 0.000 0.991 170 V HN 0.468 nan 8.190 nan 0.000 0.434 171 A N 5.198 128.064 122.820 0.078 0.000 2.356 171 A HA 0.959 5.279 4.320 0.001 0.000 0.323 171 A C -1.125 176.588 177.584 0.215 0.000 1.119 171 A CA -0.643 51.430 52.037 0.059 0.000 0.790 171 A CB 1.216 20.134 19.000 -0.135 0.000 1.273 171 A HN 0.757 nan 8.150 nan 0.000 0.452 172 L N 1.411 122.781 121.223 0.246 0.000 2.346 172 L HA 0.689 5.030 4.340 0.001 0.000 0.276 172 L C 0.406 177.417 176.870 0.235 0.000 1.006 172 L CA -0.572 54.400 54.840 0.219 0.000 0.817 172 L CB 2.176 44.320 42.059 0.142 0.000 1.272 172 L HN 0.892 nan 8.230 nan 0.000 0.421 173 T N -2.980 111.653 114.554 0.132 0.000 2.926 173 T HA 0.386 4.736 4.350 0.001 0.000 0.289 173 T C -0.659 173.952 174.700 -0.148 0.000 1.054 173 T CA -0.638 61.399 62.100 -0.104 0.000 1.015 173 T CB 1.955 70.783 68.868 -0.066 0.000 1.167 173 T HN 0.665 nan 8.240 nan 0.000 0.526 174 H N 0.925 119.603 119.070 -0.653 0.000 2.569 174 H HA 0.475 5.032 4.556 0.001 0.000 0.247 174 H C -1.889 173.048 175.328 -0.652 0.000 1.346 174 H CA -0.670 55.101 56.048 -0.461 0.000 1.502 174 H CB -0.157 29.393 29.762 -0.354 0.000 1.512 174 H HN 0.576 nan 8.280 nan 0.000 0.502 175 F N 0.733 120.631 119.950 -0.086 0.000 2.640 175 F HA 0.102 4.629 4.527 0.001 0.000 0.324 175 F C 0.806 176.660 175.800 0.090 0.000 1.077 175 F CA -1.162 56.778 58.000 -0.100 0.000 0.965 175 F CB 1.386 40.214 39.000 -0.287 0.000 1.351 175 F HN 0.307 nan 8.300 nan 0.000 0.487 176 D N 0.583 121.197 120.400 0.355 0.000 3.008 176 D HA 0.206 4.847 4.640 0.001 0.000 0.242 176 D C 1.457 177.825 176.300 0.113 0.000 1.222 176 D CA 0.734 54.895 54.000 0.268 0.000 0.883 176 D CB -0.417 40.486 40.800 0.173 0.000 1.110 176 D HN 0.744 nan 8.370 nan 0.000 0.455 177 G N 1.694 110.649 108.800 0.258 0.000 3.209 177 G HA2 -0.530 3.431 3.960 0.001 0.000 0.228 177 G HA3 -0.530 3.431 3.960 0.001 0.000 0.228 177 G C 1.675 176.740 174.900 0.276 0.000 1.262 177 G CA 0.950 46.279 45.100 0.381 0.000 1.033 177 G HN 0.488 nan 8.290 nan 0.000 0.574 178 R N 0.385 120.935 120.500 0.083 0.000 2.148 178 R HA 0.277 4.618 4.340 0.001 0.000 0.227 178 R C 2.703 178.996 176.300 -0.012 0.000 1.103 178 R CA 1.074 57.200 56.100 0.043 0.000 0.983 178 R CB -0.601 29.688 30.300 -0.018 0.000 0.874 178 R HN 0.440 nan 8.270 nan 0.000 0.451 179 V N 0.287 120.116 119.914 -0.142 0.000 2.392 179 V HA -0.268 3.852 4.120 0.001 0.000 0.249 179 V C 1.637 177.579 176.094 -0.252 0.000 1.059 179 V CA 1.734 63.852 62.300 -0.304 0.000 1.051 179 V CB -0.485 30.983 31.823 -0.592 0.000 0.658 179 V HN 0.216 nan 8.190 nan 0.000 0.455 180 F N 0.988 120.927 119.950 -0.019 0.000 2.095 180 F HA -0.143 4.384 4.527 0.001 0.000 0.298 180 F C 2.498 178.334 175.800 0.060 0.000 1.104 180 F CA 1.719 59.740 58.000 0.035 0.000 1.232 180 F CB -1.215 37.850 39.000 0.107 0.000 0.987 180 F HN 0.242 nan 8.300 nan 0.000 0.475 181 G N -0.700 108.249 108.800 0.249 0.000 2.475 181 G HA2 -0.222 3.739 3.960 0.001 0.000 0.220 181 G HA3 -0.222 3.739 3.960 0.001 0.000 0.220 181 G C 1.665 176.632 174.900 0.110 0.000 1.125 181 G CA 1.025 46.247 45.100 0.203 0.000 0.755 181 G HN 0.495 nan 8.290 nan 0.000 0.565 182 A N 0.051 122.887 122.820 0.028 0.000 2.035 182 A HA 0.676 4.996 4.320 0.001 0.000 0.208 182 A C 2.585 180.163 177.584 -0.011 0.000 1.206 182 A CA 1.310 53.344 52.037 -0.005 0.000 0.773 182 A CB -0.263 18.709 19.000 -0.047 0.000 0.878 182 A HN 0.599 nan 8.150 nan 0.000 0.469 183 A N -0.570 122.227 122.820 -0.037 0.000 1.930 183 A HA 0.248 4.568 4.320 0.001 0.000 0.217 183 A C 0.887 178.463 177.584 -0.013 0.000 1.175 183 A CA 1.785 53.777 52.037 -0.074 0.000 0.627 183 A CB -0.127 18.754 19.000 -0.198 0.000 0.815 183 A HN 0.693 nan 8.150 nan 0.000 0.443 184 V N -0.047 119.899 119.914 0.053 0.000 2.786 184 V HA 0.136 4.256 4.120 0.001 0.000 0.326 184 V C -2.126 173.997 176.094 0.048 0.000 1.185 184 V CA -0.907 61.423 62.300 0.050 0.000 1.355 184 V CB 0.671 32.565 31.823 0.119 0.000 1.275 184 V HN 0.141 nan 8.190 nan 0.000 0.611 185 P HA -0.190 nan 4.420 nan 0.000 0.224 185 P C 0.655 177.947 177.300 -0.014 0.000 0.980 185 P CA 1.491 64.609 63.100 0.030 0.000 1.028 185 P CB 0.293 31.998 31.700 0.008 0.000 0.617 189 D N 0.586 121.075 120.400 0.147 0.000 2.354 189 D HA 0.490 5.130 4.640 0.001 0.000 0.209 189 D C 0.180 176.492 176.300 0.019 0.000 1.015 189 D CA 0.547 54.577 54.000 0.051 0.000 0.867 189 D CB 0.594 41.404 40.800 0.016 0.000 0.933 189 D HN 0.603 nan 8.370 nan 0.000 0.520 190 A N -0.051 122.787 122.820 0.030 0.000 2.547 190 A HA 0.684 5.005 4.320 0.001 0.000 0.297 190 A C -1.417 176.117 177.584 -0.084 0.000 1.056 190 A CA -0.815 51.190 52.037 -0.053 0.000 0.688 190 A CB 1.275 20.171 19.000 -0.173 0.000 1.282 190 A HN 0.130 nan 8.150 nan 0.000 0.400 191 I N 1.503 122.017 120.570 -0.092 0.000 2.619 191 I HA 0.407 4.577 4.170 0.001 0.000 0.292 191 I C -1.034 175.028 176.117 -0.093 0.000 1.100 191 I CA -0.476 60.729 61.300 -0.159 0.000 1.043 191 I CB 2.216 40.129 38.000 -0.145 0.000 1.239 191 I HN 0.607 nan 8.210 nan 0.000 0.420 192 L N 6.749 127.906 121.223 -0.112 0.000 2.277 192 L HA 0.499 4.840 4.340 0.001 0.000 0.284 192 L C -1.174 175.662 176.870 -0.057 0.000 1.028 192 L CA -0.750 54.056 54.840 -0.056 0.000 0.835 192 L CB 1.210 43.245 42.059 -0.040 0.000 1.215 192 L HN 0.491 nan 8.230 nan 0.000 0.425 193 L N 4.841 126.055 121.223 -0.014 0.000 2.283 193 L HA 0.446 4.786 4.340 0.001 0.000 0.281 193 L C -0.774 176.028 176.870 -0.114 0.000 1.033 193 L CA 0.031 54.865 54.840 -0.011 0.000 0.848 193 L CB 1.077 43.199 42.059 0.105 0.000 1.226 193 L HN 0.453 nan 8.230 nan 0.000 0.429 194 D N 4.724 125.047 120.400 -0.129 0.000 2.499 194 D HA 0.460 5.101 4.640 0.001 0.000 0.225 194 D C -0.257 175.924 176.300 -0.198 0.000 1.124 194 D CA -0.083 53.797 54.000 -0.201 0.000 0.938 194 D CB 1.023 41.763 40.800 -0.100 0.000 1.014 194 D HN 0.706 nan 8.370 nan 0.000 0.517 195 A N 4.207 126.844 122.820 -0.304 0.000 2.409 195 A HA 0.455 4.776 4.320 0.001 0.000 0.262 195 A C -2.086 175.404 177.584 -0.157 0.000 1.113 195 A CA -1.206 50.720 52.037 -0.185 0.000 0.790 195 A CB 0.103 19.024 19.000 -0.130 0.000 1.046 195 A HN 0.422 nan 8.150 nan 0.000 0.496 196 P HA 0.035 nan 4.420 nan 0.000 0.257 196 P C 0.143 177.388 177.300 -0.093 0.000 1.153 196 P CA 0.585 63.634 63.100 -0.085 0.000 0.762 196 P CB -0.096 31.554 31.700 -0.084 0.000 0.743 197 C N 0.718 119.966 119.300 -0.086 0.000 3.274 197 C HA 0.573 5.034 4.460 0.001 0.000 0.371 197 C C 1.941 176.904 174.990 -0.046 0.000 2.432 197 C CA 0.102 59.071 59.018 -0.082 0.000 1.291 197 C CB 1.145 28.815 27.740 -0.116 0.000 2.851 197 C HN 0.389 nan 8.230 nan 0.000 0.456 198 S N -0.509 115.182 115.700 -0.016 0.000 2.562 198 S HA 0.304 4.775 4.470 0.001 0.000 0.221 198 S C 1.477 176.126 174.600 0.082 0.000 0.975 198 S CA 1.641 59.866 58.200 0.041 0.000 0.918 198 S CB -1.290 61.967 63.200 0.095 0.000 0.772 198 S HN 2.751 nan 8.310 nan 0.000 0.531 199 G N 1.321 110.148 108.800 0.045 0.000 2.225 199 G HA2 -0.277 3.683 3.960 0.001 0.000 0.267 199 G HA3 -0.277 3.683 3.960 0.001 0.000 0.267 199 G C 0.364 175.304 174.900 0.066 0.000 1.024 199 G CA 0.681 45.808 45.100 0.045 0.000 0.784 199 G HN 0.650 nan 8.290 nan 0.000 0.507 200 E N -0.606 119.662 120.200 0.113 0.000 2.274 200 E HA 0.088 4.439 4.350 0.001 0.000 0.194 200 E C 2.592 179.320 176.600 0.213 0.000 0.996 200 E CA 0.623 57.115 56.400 0.154 0.000 0.840 200 E CB -0.135 29.770 29.700 0.341 0.000 0.772 200 E HN 0.512 nan 8.360 nan 0.000 0.491 201 G N 0.713 109.619 108.800 0.177 0.000 2.572 201 G HA2 -0.124 3.836 3.960 0.001 0.000 0.216 201 G HA3 -0.124 3.836 3.960 0.001 0.000 0.216 201 G C 1.482 176.475 174.900 0.155 0.000 1.133 201 G CA 0.089 45.307 45.100 0.196 0.000 0.791 201 G HN 0.113 nan 8.290 nan 0.000 0.538 202 V N 1.636 121.616 119.914 0.109 0.000 3.573 202 V HA -0.075 4.046 4.120 0.001 0.000 0.270 202 V C 2.776 178.886 176.094 0.026 0.000 1.221 202 V CA 1.053 63.398 62.300 0.075 0.000 1.163 202 V CB 0.149 32.007 31.823 0.058 0.000 0.847 202 V HN 0.375 nan 8.190 nan 0.000 0.468 203 V N -1.141 118.775 119.914 0.002 0.000 2.594 203 V HA -0.200 3.920 4.120 0.001 0.000 0.253 203 V C 2.382 178.431 176.094 -0.075 0.000 1.069 203 V CA 1.525 63.779 62.300 -0.077 0.000 1.082 203 V CB -0.973 30.744 31.823 -0.175 0.000 0.680 203 V HN 0.456 nan 8.190 nan 0.000 0.469 204 R N 0.521 121.003 120.500 -0.030 0.000 2.081 204 R HA -0.096 4.244 4.340 0.001 0.000 0.235 204 R C 2.548 178.841 176.300 -0.012 0.000 1.131 204 R CA 1.779 57.864 56.100 -0.024 0.000 0.960 204 R CB -0.397 29.908 30.300 0.009 0.000 0.856 204 R HN 0.533 nan 8.270 nan 0.000 0.436 205 K N 0.994 121.400 120.400 0.010 0.000 2.062 205 K HA -0.091 4.230 4.320 0.001 0.000 0.205 205 K C 0.019 176.616 176.600 -0.005 0.000 1.051 205 K CA 1.191 57.486 56.287 0.013 0.000 0.941 205 K CB 0.161 32.682 32.500 0.035 0.000 0.719 205 K HN 0.223 nan 8.250 nan 0.000 0.440 206 D N -0.316 120.074 120.400 -0.016 0.000 2.629 206 D HA 0.133 4.773 4.640 0.001 0.000 0.250 206 D C -2.376 173.885 176.300 -0.065 0.000 1.126 206 D CA -1.895 52.085 54.000 -0.032 0.000 0.852 206 D CB 2.037 42.826 40.800 -0.018 0.000 1.335 206 D HN -0.113 nan 8.370 nan 0.000 0.518 207 P HA 0.055 nan 4.420 nan 0.000 0.242 207 P C -0.137 177.083 177.300 -0.133 0.000 1.197 207 P CA 0.609 63.636 63.100 -0.123 0.000 0.765 207 P CB 0.342 31.981 31.700 -0.102 0.000 0.936 208 D N -1.552 118.793 120.400 -0.092 0.000 2.513 208 D HA 0.250 4.891 4.640 0.001 0.000 0.222 208 D C 1.795 178.055 176.300 -0.066 0.000 1.210 208 D CA -0.066 53.887 54.000 -0.079 0.000 0.825 208 D CB 0.021 40.792 40.800 -0.048 0.000 1.037 208 D HN -0.119 nan 8.370 nan 0.000 0.506 209 A N 0.865 123.644 122.820 -0.069 0.000 1.881 209 A HA -0.270 4.050 4.320 0.001 0.000 0.219 209 A C 1.887 179.450 177.584 -0.035 0.000 1.215 209 A CA 1.971 53.983 52.037 -0.042 0.000 0.648 209 A CB -0.682 18.297 19.000 -0.035 0.000 0.832 209 A HN 0.332 nan 8.150 nan 0.000 0.455 210 L N -2.567 118.612 121.223 -0.072 0.000 2.095 210 L HA 0.172 4.512 4.340 0.001 0.000 0.204 210 L C 1.834 178.718 176.870 0.024 0.000 1.080 210 L CA 2.152 56.972 54.840 -0.033 0.000 0.759 210 L CB -1.450 40.502 42.059 -0.179 0.000 0.914 210 L HN 0.301 nan 8.230 nan 0.000 0.439 211 K N 0.596 120.989 120.400 -0.013 0.000 3.158 211 K HA -0.384 3.937 4.320 0.001 0.000 0.192 211 K C 1.528 178.173 176.600 0.074 0.000 0.844 211 K CA 2.281 58.582 56.287 0.023 0.000 0.809 211 K CB -0.947 31.556 32.500 0.006 0.000 1.684 211 K HN 0.519 nan 8.250 nan 0.000 0.574 212 N N -0.382 118.359 118.700 0.069 0.000 2.466 212 N HA 0.022 4.763 4.740 0.001 0.000 0.211 212 N C -1.174 174.393 175.510 0.096 0.000 1.256 212 N CA 0.011 53.100 53.050 0.065 0.000 0.840 212 N CB -0.081 38.423 38.487 0.030 0.000 1.079 212 N HN 0.311 nan 8.380 nan 0.000 0.466 213 W N 1.195 122.461 121.300 -0.056 0.000 2.287 213 W HA 0.382 5.042 4.660 0.001 0.000 0.313 213 W C -0.142 176.366 176.519 -0.018 0.000 1.267 213 W CA -0.241 57.066 57.345 -0.064 0.000 1.201 213 W CB 0.530 29.908 29.460 -0.136 0.000 1.196 213 W HN 0.060 nan 8.180 nan 0.000 0.536 214 S N 5.443 120.828 115.700 -0.525 0.000 2.543 214 S HA 0.375 4.846 4.470 0.001 0.000 0.273 214 S C -2.430 171.725 174.600 -0.743 0.000 1.152 214 S CA -1.299 56.607 58.200 -0.490 0.000 0.910 214 S CB 2.075 65.178 63.200 -0.162 0.000 1.105 214 S HN 0.261 nan 8.310 nan 0.000 0.465 215 P HA -0.131 nan 4.420 nan 0.000 0.217 215 P C 1.143 178.276 177.300 -0.279 0.000 1.148 215 P CA 1.348 64.184 63.100 -0.439 0.000 0.828 215 P CB 0.119 31.703 31.700 -0.194 0.000 0.783 216 E N -0.607 119.464 120.200 -0.215 0.000 2.028 216 E HA -0.118 4.233 4.350 0.001 0.000 0.190 216 E C 2.110 178.606 176.600 -0.174 0.000 0.984 216 E CA 1.188 57.496 56.400 -0.154 0.000 0.800 216 E CB -1.567 28.070 29.700 -0.107 0.000 0.758 216 E HN 0.171 nan 8.360 nan 0.000 0.448 217 S N 0.917 116.495 115.700 -0.203 0.000 2.462 217 S HA -0.149 4.322 4.470 0.001 0.000 0.243 217 S C 1.618 176.081 174.600 -0.228 0.000 1.003 217 S CA 1.171 59.254 58.200 -0.195 0.000 0.970 217 S CB -0.135 62.950 63.200 -0.193 0.000 0.762 217 S HN 0.116 nan 8.310 nan 0.000 0.510 218 N N 0.777 119.301 118.700 -0.293 0.000 2.220 218 N HA 0.052 4.793 4.740 0.001 0.000 0.182 218 N C 1.887 177.288 175.510 -0.182 0.000 1.023 218 N CA 0.836 53.728 53.050 -0.263 0.000 0.856 218 N CB -0.507 37.787 38.487 -0.321 0.000 0.997 218 N HN 0.326 nan 8.380 nan 0.000 0.429 219 Q N 1.191 120.891 119.800 -0.167 0.000 2.112 219 Q HA -0.127 4.213 4.340 0.001 0.000 0.206 219 Q C 1.768 177.686 176.000 -0.137 0.000 0.987 219 Q CA 1.195 56.917 55.803 -0.136 0.000 0.858 219 Q CB -0.293 28.376 28.738 -0.115 0.000 0.905 219 Q HN 0.547 nan 8.270 nan 0.000 0.420 220 E N -0.087 120.033 120.200 -0.134 0.000 2.051 220 E HA -0.119 4.231 4.350 0.001 0.000 0.192 220 E C 2.139 178.660 176.600 -0.131 0.000 0.991 220 E CA 0.698 57.023 56.400 -0.124 0.000 0.799 220 E CB -0.090 29.543 29.700 -0.112 0.000 0.748 220 E HN 0.317 nan 8.360 nan 0.000 0.449 221 I N 0.936 121.426 120.570 -0.133 0.000 2.286 221 I HA -0.279 3.892 4.170 0.001 0.000 0.248 221 I C 2.507 178.548 176.117 -0.128 0.000 1.115 221 I CA 0.903 62.129 61.300 -0.124 0.000 1.392 221 I CB -0.280 37.649 38.000 -0.118 0.000 1.065 221 I HN 0.101 nan 8.210 nan 0.000 0.418 222 A N 0.743 123.479 122.820 -0.139 0.000 1.933 222 A HA -0.158 4.163 4.320 0.001 0.000 0.218 222 A C 2.567 180.025 177.584 -0.210 0.000 1.175 222 A CA 1.763 53.706 52.037 -0.157 0.000 0.628 222 A CB -0.772 18.136 19.000 -0.154 0.000 0.814 222 A HN 0.428 nan 8.150 nan 0.000 0.444 223 A N -0.882 121.817 122.820 -0.202 0.000 1.883 223 A HA -0.138 4.183 4.320 0.001 0.000 0.217 223 A C 2.317 179.769 177.584 -0.220 0.000 1.186 223 A CA 2.428 54.326 52.037 -0.231 0.000 0.624 223 A CB -1.405 17.488 19.000 -0.177 0.000 0.822 223 A HN 0.424 nan 8.150 nan 0.000 0.444 224 T N -0.024 114.431 114.554 -0.166 0.000 2.720 224 T HA -0.187 4.163 4.350 0.001 0.000 0.268 224 T C 2.038 176.664 174.700 -0.124 0.000 1.037 224 T CA 1.743 63.760 62.100 -0.140 0.000 1.144 224 T CB -0.281 68.509 68.868 -0.130 0.000 0.864 224 T HN 0.611 nan 8.240 nan 0.000 0.444 225 Q N 0.245 119.972 119.800 -0.120 0.000 2.170 225 Q HA -0.042 4.298 4.340 0.001 0.000 0.203 225 Q C 2.640 178.561 176.000 -0.132 0.000 0.976 225 Q CA 1.040 56.810 55.803 -0.056 0.000 0.858 225 Q CB -0.088 28.647 28.738 -0.006 0.000 0.907 225 Q HN 0.457 nan 8.270 nan 0.000 0.433 226 R N 0.559 120.864 120.500 -0.324 0.000 2.062 226 R HA -0.118 4.223 4.340 0.001 0.000 0.231 226 R C 2.117 178.236 176.300 -0.301 0.000 1.136 226 R CA 1.230 56.974 56.100 -0.593 0.000 0.948 226 R CB -0.117 29.447 30.300 -1.227 0.000 0.845 226 R HN 0.336 nan 8.270 nan 0.000 0.430 227 E N 0.754 120.831 120.200 -0.205 0.000 2.097 227 E HA -0.233 4.118 4.350 0.001 0.000 0.196 227 E C 2.151 178.780 176.600 0.047 0.000 1.000 227 E CA 1.138 57.511 56.400 -0.044 0.000 0.804 227 E CB -0.198 29.462 29.700 -0.068 0.000 0.740 227 E HN 0.262 nan 8.360 nan 0.000 0.454 228 L N 0.603 121.844 121.223 0.030 0.000 2.017 228 L HA -0.181 4.159 4.340 0.001 0.000 0.208 228 L C 2.562 179.530 176.870 0.163 0.000 1.073 228 L CA 1.039 55.933 54.840 0.090 0.000 0.745 228 L CB -0.192 41.911 42.059 0.073 0.000 0.894 228 L HN 0.134 nan 8.230 nan 0.000 0.432 229 I N -0.947 119.722 120.570 0.166 0.000 2.439 229 I HA -0.254 3.916 4.170 0.001 0.000 0.251 229 I C 2.103 178.424 176.117 0.340 0.000 1.139 229 I CA 1.146 62.575 61.300 0.215 0.000 1.438 229 I CB -0.054 37.984 38.000 0.063 0.000 1.085 229 I HN 0.289 nan 8.210 nan 0.000 0.427 230 D N -0.012 120.642 120.400 0.424 0.000 2.084 230 D HA -0.232 4.408 4.640 0.001 0.000 0.194 230 D C 2.322 178.904 176.300 0.469 0.000 0.990 230 D CA 1.731 56.066 54.000 0.558 0.000 0.826 230 D CB -0.154 40.982 40.800 0.560 0.000 0.971 230 D HN 0.342 nan 8.370 nan 0.000 0.453 231 S N -0.333 115.540 115.700 0.289 0.000 2.359 231 S HA -0.247 4.224 4.470 0.001 0.000 0.222 231 S C 2.141 176.925 174.600 0.306 0.000 1.038 231 S CA 2.465 60.809 58.200 0.241 0.000 1.051 231 S CB -0.662 62.654 63.200 0.195 0.000 0.944 231 S HN 0.331 nan 8.310 nan 0.000 0.433 232 A N 0.577 123.564 122.820 0.279 0.000 1.883 232 A HA -0.050 4.270 4.320 0.001 0.000 0.217 232 A C 2.056 179.809 177.584 0.282 0.000 1.186 232 A CA 1.862 54.039 52.037 0.234 0.000 0.624 232 A CB -1.261 17.851 19.000 0.185 0.000 0.822 232 A HN 0.669 nan 8.150 nan 0.000 0.444 233 F N 0.283 120.326 119.950 0.155 0.000 2.161 233 F HA -0.186 4.341 4.527 0.001 0.000 0.300 233 F C 2.388 178.182 175.800 -0.009 0.000 1.089 233 F CA 1.885 59.921 58.000 0.060 0.000 1.282 233 F CB -0.437 38.586 39.000 0.039 0.000 1.010 233 F HN 0.421 nan 8.300 nan 0.000 0.485 234 H N -1.303 117.792 119.070 0.042 0.000 2.428 234 H HA 0.097 4.653 4.556 0.001 0.000 0.296 234 H C 2.115 177.423 175.328 -0.032 0.000 1.062 234 H CA 0.995 57.005 56.048 -0.063 0.000 1.350 234 H CB -0.064 29.728 29.762 0.050 0.000 1.403 234 H HN 0.297 nan 8.280 nan 0.000 0.533 235 A N 0.959 123.892 122.820 0.188 0.000 2.238 235 A HA 0.049 4.370 4.320 0.001 0.000 0.208 235 A C 0.906 178.609 177.584 0.198 0.000 1.177 235 A CA -0.019 52.158 52.037 0.234 0.000 0.804 235 A CB -0.234 18.990 19.000 0.374 0.000 0.823 235 A HN 0.189 nan 8.150 nan 0.000 0.482 236 L N 0.940 122.185 121.223 0.036 0.000 2.272 236 L HA 0.536 4.876 4.340 0.001 0.000 0.289 236 L C 0.318 177.114 176.870 -0.123 0.000 1.032 236 L CA -0.835 54.005 54.840 -0.000 0.000 0.810 236 L CB 0.995 43.032 42.059 -0.036 0.000 1.205 236 L HN 0.417 nan 8.230 nan 0.000 0.422 237 R N 4.763 125.223 120.500 -0.066 0.000 2.694 237 R HA 0.437 4.778 4.340 0.001 0.000 0.268 237 R C -2.426 173.798 176.300 -0.126 0.000 1.061 237 R CA -1.246 54.792 56.100 -0.103 0.000 1.133 237 R CB -0.810 29.447 30.300 -0.073 0.000 1.020 237 R HN 0.417 nan 8.270 nan 0.000 0.475 238 P HA 0.034 nan 4.420 nan 0.000 0.266 238 P C 0.602 177.857 177.300 -0.074 0.000 1.195 238 P CA 1.009 64.033 63.100 -0.128 0.000 0.768 238 P CB 0.881 32.512 31.700 -0.116 0.000 0.838 239 G N 1.219 109.986 108.800 -0.054 0.000 2.284 239 G HA2 -0.163 3.797 3.960 0.001 0.000 0.230 239 G HA3 -0.163 3.797 3.960 0.001 0.000 0.230 239 G C 0.617 175.509 174.900 -0.013 0.000 1.021 239 G CA -0.077 45.008 45.100 -0.026 0.000 0.619 239 G HN 0.895 nan 8.290 nan 0.000 0.510 240 G N -0.400 108.387 108.800 -0.023 0.000 2.599 240 G HA2 0.543 4.503 3.960 0.001 0.000 0.264 240 G HA3 0.543 4.503 3.960 0.001 0.000 0.264 240 G C -0.222 174.691 174.900 0.022 0.000 1.200 240 G CA 0.845 45.941 45.100 -0.007 0.000 0.896 240 G HN 0.610 nan 8.290 nan 0.000 0.536 241 T N 0.091 114.655 114.554 0.017 0.000 2.829 241 T HA 0.477 4.828 4.350 0.001 0.000 0.280 241 T C -0.840 173.886 174.700 0.045 0.000 0.999 241 T CA -0.200 61.922 62.100 0.036 0.000 0.983 241 T CB 1.492 70.353 68.868 -0.012 0.000 0.968 241 T HN 0.481 nan 8.240 nan 0.000 0.446 242 L N 4.152 125.434 121.223 0.099 0.000 2.376 242 L HA 0.763 5.103 4.340 0.001 0.000 0.275 242 L C -1.282 175.655 176.870 0.110 0.000 0.987 242 L CA -0.575 54.331 54.840 0.110 0.000 0.828 242 L CB 1.517 43.695 42.059 0.198 0.000 1.249 242 L HN 0.418 nan 8.230 nan 0.000 0.409 243 V N 5.375 125.332 119.914 0.071 0.000 2.427 243 V HA 0.349 4.470 4.120 0.001 0.000 0.286 243 V C -0.953 175.206 176.094 0.108 0.000 1.034 243 V CA -0.387 61.956 62.300 0.072 0.000 0.893 243 V CB 1.272 33.112 31.823 0.028 0.000 0.982 243 V HN 0.733 nan 8.190 nan 0.000 0.452 244 Y N 4.646 124.925 120.300 -0.035 0.000 2.341 244 Y HA 0.665 5.215 4.550 0.001 0.000 0.338 244 Y C 0.204 176.071 175.900 -0.055 0.000 0.965 244 Y CA -0.205 57.872 58.100 -0.039 0.000 1.108 244 Y CB 1.659 40.101 38.460 -0.031 0.000 1.180 244 Y HN 0.732 nan 8.280 nan 0.000 0.458 245 S N 3.291 118.623 115.700 -0.614 0.000 2.564 245 S HA 0.875 5.346 4.470 0.001 0.000 0.274 245 S C -0.742 173.417 174.600 -0.735 0.000 1.124 245 S CA -0.369 57.510 58.200 -0.535 0.000 0.869 245 S CB 1.889 64.874 63.200 -0.358 0.000 1.105 245 S HN 0.872 nan 8.310 nan 0.000 0.472 246 T N -2.388 111.759 114.554 -0.677 0.000 2.865 246 T HA 0.578 4.929 4.350 0.001 0.000 0.294 246 T C 0.317 174.546 174.700 -0.785 0.000 1.119 246 T CA -0.476 61.257 62.100 -0.612 0.000 1.007 246 T CB 0.825 69.444 68.868 -0.415 0.000 1.225 246 T HN 1.558 nan 8.240 nan 0.000 0.515 247 C N 0.197 119.206 119.300 -0.484 0.000 2.469 247 C HA 0.662 5.122 4.460 0.001 0.000 0.298 247 C C 0.785 175.725 174.990 -0.083 0.000 1.436 247 C CA -0.466 58.378 59.018 -0.289 0.000 1.783 247 C CB -2.158 25.582 27.740 0.000 0.000 2.726 247 C HN 1.016 nan 8.230 nan 0.000 0.541 248 T N -0.166 114.314 114.554 -0.124 0.000 2.949 248 T HA 0.705 5.055 4.350 0.001 0.000 0.287 248 T C 0.316 174.987 174.700 -0.047 0.000 1.034 248 T CA -0.502 61.596 62.100 -0.003 0.000 1.018 248 T CB 1.105 69.987 68.868 0.024 0.000 1.135 248 T HN 0.407 nan 8.240 nan 0.000 0.532 249 L N 1.697 122.966 121.223 0.076 0.000 2.966 249 L HA 0.347 4.688 4.340 0.001 0.000 0.262 249 L C 0.779 177.779 176.870 0.216 0.000 1.165 249 L CA -0.585 54.270 54.840 0.024 0.000 0.978 249 L CB -0.092 41.962 42.059 -0.007 0.000 1.337 249 L HN 0.631 nan 8.230 nan 0.000 0.563 250 N N -0.846 117.978 118.700 0.207 0.000 2.327 250 N HA 0.026 4.766 4.740 0.001 0.000 0.257 250 N C 0.695 176.275 175.510 0.118 0.000 1.281 250 N CA -0.163 53.005 53.050 0.197 0.000 0.942 250 N CB 0.456 39.089 38.487 0.243 0.000 1.199 250 N HN -0.084 nan 8.380 nan 0.000 0.532 251 Q N -0.732 119.115 119.800 0.078 0.000 2.163 251 Q HA -0.052 4.288 4.340 0.001 0.000 0.198 251 Q C 1.345 177.327 176.000 -0.030 0.000 0.954 251 Q CA 0.953 56.771 55.803 0.025 0.000 0.851 251 Q CB -0.110 28.648 28.738 0.032 0.000 0.928 251 Q HN 0.818 nan 8.270 nan 0.000 0.459 252 E N 1.036 121.227 120.200 -0.014 0.000 2.153 252 E HA -0.188 4.163 4.350 0.001 0.000 0.194 252 E C 0.993 177.542 176.600 -0.085 0.000 0.988 252 E CA 1.069 57.444 56.400 -0.042 0.000 0.811 252 E CB -0.166 29.513 29.700 -0.035 0.000 0.746 252 E HN 0.504 nan 8.360 nan 0.000 0.466 253 E N 0.143 120.285 120.200 -0.097 0.000 2.474 253 E HA 0.115 4.466 4.350 0.001 0.000 0.195 253 E C 0.688 177.187 176.600 -0.168 0.000 1.039 253 E CA 0.021 56.354 56.400 -0.112 0.000 0.881 253 E CB 0.219 29.863 29.700 -0.093 0.000 0.970 253 E HN 0.308 nan 8.360 nan 0.000 0.486 254 N N 0.530 119.028 118.700 -0.336 0.000 2.871 254 N HA 0.009 4.749 4.740 0.001 0.000 0.204 254 N C 1.187 176.303 175.510 -0.657 0.000 1.233 254 N CA -0.234 52.310 53.050 -0.844 0.000 1.124 254 N CB 0.171 37.768 38.487 -1.484 0.000 1.414 254 N HN -0.155 nan 8.380 nan 0.000 0.511 255 E N 1.161 121.096 120.200 -0.442 0.000 2.058 255 E HA -0.128 4.222 4.350 0.001 0.000 0.194 255 E C 1.784 178.418 176.600 0.055 0.000 0.997 255 E CA 1.457 57.890 56.400 0.056 0.000 0.801 255 E CB -0.199 29.653 29.700 0.253 0.000 0.746 255 E HN 0.423 nan 8.360 nan 0.000 0.450 256 A N 0.368 123.187 122.820 -0.001 0.000 2.024 256 A HA -0.165 4.155 4.320 0.001 0.000 0.220 256 A C 2.386 179.996 177.584 0.044 0.000 1.164 256 A CA 1.324 53.382 52.037 0.036 0.000 0.643 256 A CB -0.454 18.545 19.000 -0.001 0.000 0.806 256 A HN 0.155 nan 8.150 nan 0.000 0.451 257 V N -1.496 118.381 119.914 -0.062 0.000 2.346 257 V HA -0.223 3.897 4.120 0.001 0.000 0.244 257 V C 2.585 178.665 176.094 -0.023 0.000 1.037 257 V CA 1.751 63.985 62.300 -0.109 0.000 1.029 257 V CB -0.902 30.746 31.823 -0.291 0.000 0.663 257 V HN 0.693 nan 8.190 nan 0.000 0.454 258 C N -0.055 119.174 119.300 -0.119 0.000 2.432 258 C HA -0.110 4.351 4.460 0.001 0.000 0.277 258 C C 2.669 177.861 174.990 0.336 0.000 1.249 258 C CA 0.853 59.875 59.018 0.006 0.000 1.725 258 C CB -1.073 26.511 27.740 -0.261 0.000 2.028 258 C HN 0.513 nan 8.230 nan 0.000 0.477 259 L N -0.650 120.772 121.223 0.332 0.000 2.079 259 L HA -0.211 4.129 4.340 0.001 0.000 0.210 259 L C 2.453 179.467 176.870 0.239 0.000 1.081 259 L CA 1.977 57.031 54.840 0.356 0.000 0.752 259 L CB -0.616 41.603 42.059 0.267 0.000 0.896 259 L HN 0.600 nan 8.230 nan 0.000 0.433 260 W N 0.910 122.229 121.300 0.031 0.000 2.333 260 W HA -0.297 4.364 4.660 0.001 0.000 0.316 260 W C 2.364 178.851 176.519 -0.053 0.000 1.215 260 W CA 1.864 59.192 57.345 -0.028 0.000 1.278 260 W CB -0.364 29.060 29.460 -0.060 0.000 1.154 260 W HN 0.085 nan 8.180 nan 0.000 0.486 261 L N 1.825 123.024 121.223 -0.039 0.000 2.042 261 L HA -0.195 4.146 4.340 0.001 0.000 0.210 261 L C 2.601 179.219 176.870 -0.421 0.000 1.076 261 L CA 2.341 56.928 54.840 -0.421 0.000 0.749 261 L CB -1.042 40.959 42.059 -0.096 0.000 0.893 261 L HN -0.049 nan 8.230 nan 0.000 0.432 262 K N -0.412 119.868 120.400 -0.200 0.000 2.097 262 K HA -0.169 4.151 4.320 0.001 0.000 0.206 262 K C 1.919 178.368 176.600 -0.252 0.000 1.049 262 K CA 1.327 57.471 56.287 -0.238 0.000 0.933 262 K CB -0.053 32.296 32.500 -0.252 0.000 0.717 262 K HN 0.428 nan 8.250 nan 0.000 0.442 263 E N -0.099 119.944 120.200 -0.263 0.000 2.153 263 E HA -0.097 4.254 4.350 0.001 0.000 0.194 263 E C 1.773 178.124 176.600 -0.415 0.000 0.988 263 E CA 1.221 57.459 56.400 -0.270 0.000 0.811 263 E CB -0.207 29.377 29.700 -0.193 0.000 0.746 263 E HN 0.345 nan 8.360 nan 0.000 0.466 264 T N -0.669 113.460 114.554 -0.708 0.000 3.043 264 T HA -0.046 4.304 4.350 0.001 0.000 0.263 264 T C 0.324 174.451 174.700 -0.956 0.000 1.094 264 T CA 0.662 62.194 62.100 -0.947 0.000 1.127 264 T CB -0.085 67.886 68.868 -1.496 0.000 0.905 264 T HN 0.161 nan 8.240 nan 0.000 0.490 265 Y N 0.520 120.659 120.300 -0.268 0.000 2.497 265 Y HA 0.282 4.833 4.550 0.001 0.000 0.333 265 Y C -2.063 173.754 175.900 -0.139 0.000 1.046 265 Y CA -2.319 55.700 58.100 -0.136 0.000 1.160 265 Y CB 1.109 39.553 38.460 -0.026 0.000 1.123 265 Y HN -0.003 nan 8.280 nan 0.000 0.638 266 P HA -0.161 nan 4.420 nan 0.000 0.218 266 P C 0.583 177.850 177.300 -0.054 0.000 1.148 266 P CA 1.620 64.671 63.100 -0.083 0.000 0.822 266 P CB 0.588 32.237 31.700 -0.085 0.000 0.784 267 D N -1.151 119.243 120.400 -0.009 0.000 2.339 267 D HA 0.162 4.802 4.640 0.001 0.000 0.217 267 D C 1.547 177.853 176.300 0.011 0.000 1.050 267 D CA 0.346 54.341 54.000 -0.008 0.000 0.856 267 D CB 0.184 40.982 40.800 -0.003 0.000 0.922 267 D HN 0.148 nan 8.370 nan 0.000 0.518 268 A N -0.137 122.716 122.820 0.056 0.000 2.382 268 A HA 0.239 4.559 4.320 0.001 0.000 0.228 268 A C 0.640 178.320 177.584 0.160 0.000 1.217 268 A CA 0.006 52.102 52.037 0.099 0.000 0.923 268 A CB 0.873 19.948 19.000 0.125 0.000 0.979 268 A HN 0.002 nan 8.150 nan 0.000 0.515 269 V N 0.986 120.923 119.914 0.038 0.000 2.417 269 V HA 0.379 4.500 4.120 0.001 0.000 0.291 269 V C -0.517 175.469 176.094 -0.180 0.000 1.024 269 V CA -0.551 61.714 62.300 -0.058 0.000 0.861 269 V CB 1.533 33.201 31.823 -0.259 0.000 0.985 269 V HN 0.473 nan 8.190 nan 0.000 0.436 270 E N 4.558 124.704 120.200 -0.090 0.000 2.185 270 E HA 0.460 4.811 4.350 0.001 0.000 0.261 270 E C -1.171 175.454 176.600 0.042 0.000 0.879 270 E CA -0.555 55.790 56.400 -0.092 0.000 0.756 270 E CB 1.147 30.847 29.700 0.000 0.000 1.152 270 E HN 0.563 nan 8.360 nan 0.000 0.416 271 F N 3.379 123.374 119.950 0.075 0.000 2.429 271 F HA 0.202 4.730 4.527 0.001 0.000 0.348 271 F C 0.364 176.206 175.800 0.071 0.000 1.109 271 F CA -0.789 57.277 58.000 0.111 0.000 1.232 271 F CB 0.675 39.717 39.000 0.070 0.000 1.157 271 F HN 0.317 nan 8.300 nan 0.000 0.564 272 L N 5.273 126.682 121.223 0.310 0.000 2.433 272 L HA 0.402 4.742 4.340 0.001 0.000 0.256 272 L C -2.292 174.660 176.870 0.138 0.000 1.063 272 L CA -1.896 53.050 54.840 0.177 0.000 0.922 272 L CB 0.571 42.722 42.059 0.155 0.000 1.238 272 L HN 0.256 nan 8.230 nan 0.000 0.466 273 P HA -0.045 nan 4.420 nan 0.000 0.265 273 P C 0.567 177.902 177.300 0.058 0.000 1.167 273 P CA 0.593 63.724 63.100 0.052 0.000 0.760 273 P CB 0.542 32.256 31.700 0.024 0.000 0.783 274 L N 1.864 123.117 121.223 0.050 0.000 2.808 274 L HA 0.180 4.521 4.340 0.001 0.000 0.246 274 L C 2.170 179.051 176.870 0.019 0.000 1.153 274 L CA 0.308 55.180 54.840 0.054 0.000 0.956 274 L CB -0.221 41.878 42.059 0.067 0.000 1.270 274 L HN 0.547 nan 8.230 nan 0.000 0.528 275 G N -0.376 108.422 108.800 -0.004 0.000 2.479 275 G HA2 -0.212 3.749 3.960 0.001 0.000 0.220 275 G HA3 -0.212 3.749 3.960 0.001 0.000 0.220 275 G C 0.965 175.822 174.900 -0.071 0.000 1.115 275 G CA 0.623 45.696 45.100 -0.045 0.000 0.757 275 G HN 0.292 nan 8.290 nan 0.000 0.560 276 D N -0.424 119.961 120.400 -0.025 0.000 2.349 276 D HA 0.067 4.708 4.640 0.001 0.000 0.214 276 D C 2.188 178.497 176.300 0.015 0.000 1.063 276 D CA -0.346 53.646 54.000 -0.013 0.000 0.847 276 D CB 0.526 41.335 40.800 0.015 0.000 0.933 276 D HN 0.189 nan 8.370 nan 0.000 0.513 277 L N 1.001 122.244 121.223 0.034 0.000 2.013 277 L HA -0.108 4.233 4.340 0.001 0.000 0.212 277 L C 0.328 177.365 176.870 0.279 0.000 1.073 277 L CA 1.714 56.653 54.840 0.164 0.000 0.753 277 L CB -0.256 41.956 42.059 0.254 0.000 0.890 277 L HN 0.003 nan 8.230 nan 0.000 0.432 278 F N -4.290 115.707 119.950 0.078 0.000 2.686 278 F HA 0.701 5.229 4.527 0.001 0.000 0.311 278 F C -2.876 172.974 175.800 0.084 0.000 1.128 278 F CA -2.807 55.243 58.000 0.083 0.000 0.946 278 F CB -0.286 38.791 39.000 0.128 0.000 1.336 278 F HN -0.358 nan 8.300 nan 0.000 0.457 279 P HA 0.404 nan 4.420 nan 0.000 0.276 279 P C 0.556 177.906 177.300 0.084 0.000 1.253 279 P CA 0.842 63.982 63.100 0.067 0.000 0.766 279 P CB 1.059 32.829 31.700 0.117 0.000 0.845 280 G N 2.964 111.746 108.800 -0.030 0.000 2.238 280 G HA2 -0.283 3.677 3.960 0.001 0.000 0.217 280 G HA3 -0.283 3.677 3.960 0.001 0.000 0.217 280 G C 1.195 176.036 174.900 -0.099 0.000 0.996 280 G CA 0.400 45.559 45.100 0.098 0.000 0.632 280 G HN 0.615 nan 8.290 nan 0.000 0.503 281 A N 1.050 123.354 122.820 -0.860 0.000 1.927 281 A HA -0.169 4.151 4.320 0.001 0.000 0.220 281 A C 2.133 179.591 177.584 -0.210 0.000 1.185 281 A CA 2.548 53.989 52.037 -0.995 0.000 0.639 281 A CB -0.682 17.683 19.000 -1.059 0.000 0.820 281 A HN 0.560 nan 8.150 nan 0.000 0.451 282 N N 0.068 118.690 118.700 -0.130 0.000 2.096 282 N HA -0.195 4.545 4.740 0.001 0.000 0.195 282 N C 1.498 177.034 175.510 0.044 0.000 1.017 282 N CA 1.609 54.646 53.050 -0.022 0.000 0.870 282 N CB -0.316 38.164 38.487 -0.012 0.000 1.024 282 N HN 0.289 nan 8.380 nan 0.000 0.434 283 K N 0.445 120.897 120.400 0.087 0.000 2.228 283 K HA -0.029 4.292 4.320 0.001 0.000 0.205 283 K C 1.234 177.903 176.600 0.114 0.000 1.045 283 K CA 1.050 57.390 56.287 0.087 0.000 0.931 283 K CB -0.367 32.170 32.500 0.063 0.000 0.727 283 K HN 0.301 nan 8.250 nan 0.000 0.458 284 A N -0.235 122.701 122.820 0.194 0.000 2.431 284 A HA 0.149 4.469 4.320 0.001 0.000 0.239 284 A C 0.240 177.944 177.584 0.201 0.000 1.230 284 A CA -0.457 51.730 52.037 0.250 0.000 0.928 284 A CB 0.165 19.392 19.000 0.377 0.000 1.006 284 A HN 0.104 nan 8.150 nan 0.000 0.520 285 L N 2.240 123.537 121.223 0.122 0.000 2.499 285 L HA 0.290 4.630 4.340 0.001 0.000 0.273 285 L C 0.916 177.834 176.870 0.079 0.000 1.195 285 L CA 0.996 55.882 54.840 0.076 0.000 0.882 285 L CB 0.503 42.580 42.059 0.030 0.000 1.133 285 L HN 0.411 nan 8.230 nan 0.000 0.483 286 T N 1.144 115.737 114.554 0.066 0.000 2.952 286 T HA 0.324 4.675 4.350 0.001 0.000 0.286 286 T C 0.899 175.565 174.700 -0.057 0.000 1.024 286 T CA -0.358 61.769 62.100 0.044 0.000 1.029 286 T CB 1.125 70.069 68.868 0.127 0.000 1.094 286 T HN 0.678 nan 8.240 nan 0.000 0.515 287 E N 0.807 120.973 120.200 -0.057 0.000 2.401 287 E HA -0.181 4.170 4.350 0.001 0.000 0.199 287 E C 0.767 177.278 176.600 -0.147 0.000 1.023 287 E CA 1.180 57.535 56.400 -0.075 0.000 0.859 287 E CB -0.219 29.458 29.700 -0.038 0.000 0.780 287 E HN 0.853 nan 8.360 nan 0.000 0.523 288 E N 0.131 120.135 120.200 -0.327 0.000 2.400 288 E HA 0.206 4.556 4.350 0.001 0.000 0.195 288 E C 1.172 177.431 176.600 -0.568 0.000 1.012 288 E CA 0.753 56.824 56.400 -0.549 0.000 0.875 288 E CB 0.573 29.574 29.700 -1.164 0.000 0.859 288 E HN 0.427 nan 8.360 nan 0.000 0.498 289 G N 0.016 108.561 108.800 -0.424 0.000 2.154 289 G HA2 -0.198 3.763 3.960 0.001 0.000 0.186 289 G HA3 -0.198 3.763 3.960 0.001 0.000 0.186 289 G C -0.249 174.615 174.900 -0.060 0.000 1.000 289 G CA -0.559 44.431 45.100 -0.184 0.000 0.664 289 G HN 0.066 nan 8.290 nan 0.000 0.513 290 F N 0.419 120.296 119.950 -0.121 0.000 2.380 290 F HA 0.725 5.253 4.527 0.001 0.000 0.325 290 F C 1.017 176.705 175.800 -0.187 0.000 1.136 290 F CA -1.548 56.301 58.000 -0.252 0.000 1.171 290 F CB 0.775 39.570 39.000 -0.342 0.000 1.230 290 F HN -0.063 nan 8.300 nan 0.000 0.554 291 L N 1.911 123.091 121.223 -0.071 0.000 2.305 291 L HA 0.329 4.670 4.340 0.001 0.000 0.284 291 L C -0.771 176.069 176.870 -0.050 0.000 1.013 291 L CA -0.513 54.333 54.840 0.010 0.000 0.819 291 L CB 1.059 43.148 42.059 0.050 0.000 1.227 291 L HN 0.575 nan 8.230 nan 0.000 0.417 292 H N 2.864 121.981 119.070 0.079 0.000 2.628 292 H HA 0.358 4.914 4.556 0.001 0.000 0.250 292 H C -0.849 174.567 175.328 0.146 0.000 1.442 292 H CA -0.489 55.648 56.048 0.148 0.000 1.282 292 H CB 0.638 30.575 29.762 0.291 0.000 1.487 292 H HN 0.311 nan 8.280 nan 0.000 0.544 293 V N 6.169 126.157 119.914 0.124 0.000 2.387 293 V HA 0.054 4.175 4.120 0.001 0.000 0.260 293 V C 0.126 176.321 176.094 0.169 0.000 1.054 293 V CA -0.174 62.274 62.300 0.247 0.000 0.967 293 V CB -0.962 31.019 31.823 0.264 0.000 1.036 293 V HN 0.518 nan 8.190 nan 0.000 0.481 294 F N 7.575 127.678 119.950 0.256 0.000 2.444 294 F HA 0.291 4.818 4.527 0.001 0.000 0.331 294 F C -0.550 175.415 175.800 0.274 0.000 1.167 294 F CA -1.793 56.377 58.000 0.284 0.000 1.262 294 F CB 0.430 39.563 39.000 0.222 0.000 1.196 294 F HN 0.317 nan 8.300 nan 0.000 0.583 295 P HA -0.158 nan 4.420 nan 0.000 0.220 295 P C 0.505 177.951 177.300 0.242 0.000 1.152 295 P CA 1.394 64.685 63.100 0.318 0.000 0.812 295 P CB 0.041 31.892 31.700 0.251 0.000 0.792 296 Q N -0.700 119.248 119.800 0.247 0.000 2.451 296 Q HA 0.070 4.410 4.340 0.001 0.000 0.206 296 Q C 2.102 178.145 176.000 0.071 0.000 0.947 296 Q CA 0.632 56.514 55.803 0.131 0.000 0.937 296 Q CB -1.153 27.657 28.738 0.120 0.000 1.025 296 Q HN 0.225 nan 8.270 nan 0.000 0.511 297 I N -0.432 120.173 120.570 0.059 0.000 2.113 297 I HA -0.247 3.923 4.170 0.001 0.000 0.238 297 I C 1.033 176.983 176.117 -0.278 0.000 1.070 297 I CA 1.452 62.637 61.300 -0.192 0.000 1.332 297 I CB -0.155 37.628 38.000 -0.363 0.000 1.044 297 I HN 0.200 nan 8.210 nan 0.000 0.402 298 Y N 0.032 120.496 120.300 0.272 0.000 2.607 298 Y HA 0.208 4.758 4.550 0.001 0.000 0.266 298 Y C -0.101 175.855 175.900 0.094 0.000 1.178 298 Y CA -0.805 57.462 58.100 0.279 0.000 1.226 298 Y CB 0.006 38.797 38.460 0.553 0.000 1.144 298 Y HN 0.102 nan 8.280 nan 0.000 0.528 299 D N 1.457 121.926 120.400 0.115 0.000 3.617 299 D HA -0.202 4.439 4.640 0.001 0.000 0.226 299 D C -0.397 175.899 176.300 -0.006 0.000 1.125 299 D CA 1.062 55.047 54.000 -0.026 0.000 1.083 299 D CB -0.820 39.867 40.800 -0.188 0.000 0.833 299 D HN 0.536 nan 8.370 nan 0.000 0.399 300 C N 0.971 120.358 119.300 0.145 0.000 3.230 300 C HA 0.643 5.104 4.460 0.001 0.000 0.359 300 C C 0.470 175.581 174.990 0.201 0.000 2.377 300 C CA -0.686 58.460 59.018 0.213 0.000 1.124 300 C CB 0.633 28.634 27.740 0.435 0.000 2.697 300 C HN 0.599 nan 8.230 nan 0.000 0.403 301 E N 0.726 121.050 120.200 0.207 0.000 2.397 301 E HA 0.466 4.816 4.350 0.001 0.000 0.254 301 E C 0.248 176.997 176.600 0.248 0.000 1.231 301 E CA 0.268 56.783 56.400 0.193 0.000 0.954 301 E CB 0.945 30.749 29.700 0.172 0.000 1.024 301 E HN 0.937 nan 8.360 nan 0.000 0.481 302 G N 1.051 110.013 108.800 0.270 0.000 2.332 302 G HA2 0.492 4.453 3.960 0.001 0.000 0.310 302 G HA3 0.492 4.453 3.960 0.001 0.000 0.310 302 G C -1.437 173.652 174.900 0.314 0.000 1.123 302 G CA -0.192 45.067 45.100 0.265 0.000 0.873 302 G HN 0.268 nan 8.290 nan 0.000 0.460 303 F N 0.879 120.800 119.950 -0.049 0.000 2.654 303 F HA 0.642 5.169 4.527 0.001 0.000 0.308 303 F C -1.464 174.255 175.800 -0.135 0.000 1.108 303 F CA -1.360 56.593 58.000 -0.078 0.000 0.957 303 F CB 2.463 41.420 39.000 -0.072 0.000 1.309 303 F HN 0.476 nan 8.300 nan 0.000 0.446 304 F N 4.078 123.750 119.950 -0.465 0.000 2.547 304 F HA 0.810 5.338 4.527 0.001 0.000 0.316 304 F C -1.876 173.743 175.800 -0.302 0.000 1.121 304 F CA -0.728 57.033 58.000 -0.398 0.000 0.911 304 F CB 1.453 40.154 39.000 -0.497 0.000 1.179 304 F HN 0.200 nan 8.300 nan 0.000 0.443 305 V N 4.823 124.311 119.914 -0.710 0.000 2.709 305 V HA 0.900 5.020 4.120 0.001 0.000 0.308 305 V C -0.815 174.908 176.094 -0.618 0.000 1.062 305 V CA -0.612 61.408 62.300 -0.466 0.000 0.901 305 V CB 1.548 33.262 31.823 -0.181 0.000 1.003 305 V HN 1.018 nan 8.190 nan 0.000 0.425 306 A N 4.515 127.114 122.820 -0.368 0.000 2.422 306 A HA 0.913 5.233 4.320 0.001 0.000 0.302 306 A C -0.737 176.830 177.584 -0.028 0.000 1.041 306 A CA -0.785 51.058 52.037 -0.324 0.000 0.708 306 A CB 1.734 20.256 19.000 -0.796 0.000 1.257 306 A HN 0.834 nan 8.150 nan 0.000 0.414 307 R N 1.864 122.427 120.500 0.106 0.000 2.480 307 R HA 0.702 5.042 4.340 0.001 0.000 0.306 307 R C -1.604 174.852 176.300 0.259 0.000 0.958 307 R CA -0.505 55.684 56.100 0.149 0.000 0.861 307 R CB 0.871 31.242 30.300 0.118 0.000 1.171 307 R HN 0.827 nan 8.270 nan 0.000 0.445 308 L N 0.251 121.628 121.223 0.255 0.000 2.359 308 L HA 0.699 5.039 4.340 0.001 0.000 0.256 308 L C -0.984 176.020 176.870 0.222 0.000 1.026 308 L CA -1.028 54.002 54.840 0.318 0.000 0.828 308 L CB 1.724 44.056 42.059 0.456 0.000 1.406 308 L HN 0.535 nan 8.230 nan 0.000 0.413 309 R N 1.112 121.728 120.500 0.193 0.000 2.494 309 R HA 0.421 4.761 4.340 0.001 0.000 0.305 309 R C -0.913 175.492 176.300 0.176 0.000 0.959 309 R CA -0.792 55.396 56.100 0.147 0.000 0.864 309 R CB 1.636 31.991 30.300 0.091 0.000 1.159 309 R HN 0.876 nan 8.270 nan 0.000 0.446 310 K N 2.554 123.049 120.400 0.160 0.000 2.349 310 K HA 0.046 4.366 4.320 0.001 0.000 0.289 310 K C 0.350 176.956 176.600 0.009 0.000 1.064 310 K CA 0.170 56.509 56.287 0.087 0.000 0.947 310 K CB 0.724 33.088 32.500 -0.228 0.000 1.007 310 K HN 0.683 nan 8.250 nan 0.000 0.478 311 T N 1.166 115.735 114.554 0.025 0.000 3.107 311 T HA 0.124 4.474 4.350 0.001 0.000 0.249 311 T C 0.242 174.924 174.700 -0.031 0.000 1.096 311 T CA -0.042 62.055 62.100 -0.004 0.000 1.012 311 T CB 0.146 69.016 68.868 0.003 0.000 0.977 311 T HN 0.601 nan 8.240 nan 0.000 0.527 312 Q N -0.349 119.414 119.800 -0.062 0.000 2.578 312 Q HA 0.590 4.931 4.340 0.001 0.000 0.284 312 Q C -1.556 174.364 176.000 -0.134 0.000 0.960 312 Q CA -1.030 54.729 55.803 -0.074 0.000 0.809 312 Q CB 2.263 30.974 28.738 -0.046 0.000 1.462 312 Q HN 0.317 nan 8.270 nan 0.000 0.392 313 A N 1.433 124.181 122.820 -0.120 0.000 2.477 313 A HA 0.461 4.782 4.320 0.001 0.000 0.246 313 A C -0.060 177.425 177.584 -0.164 0.000 1.078 313 A CA 0.063 52.008 52.037 -0.154 0.000 0.770 313 A CB -0.430 18.508 19.000 -0.104 0.000 1.011 313 A HN 0.453 nan 8.150 nan 0.000 0.494 314 I N 0.282 120.700 120.570 -0.253 0.000 2.707 314 I HA 0.694 4.865 4.170 0.001 0.000 0.309 314 I C -2.422 173.621 176.117 -0.124 0.000 1.001 314 I CA -2.809 58.360 61.300 -0.218 0.000 1.129 314 I CB -0.294 37.412 38.000 -0.490 0.000 1.308 314 I HN 0.339 nan 8.210 nan 0.000 0.466 315 P HA 0.219 nan 4.420 nan 0.000 0.267 315 P C -0.687 176.664 177.300 0.084 0.000 1.195 315 P CA 0.024 63.155 63.100 0.052 0.000 0.773 315 P CB 0.182 31.950 31.700 0.113 0.000 0.837 316 A N 2.141 125.007 122.820 0.076 0.000 2.271 316 A HA 0.569 4.889 4.320 0.001 0.000 0.288 316 A C -0.258 177.396 177.584 0.117 0.000 1.094 316 A CA -0.545 51.549 52.037 0.096 0.000 0.828 316 A CB 0.140 19.168 19.000 0.046 0.000 1.091 316 A HN 0.494 nan 8.150 nan 0.000 0.493 317 L N 1.151 122.437 121.223 0.105 0.000 2.352 317 L HA 0.395 4.736 4.340 0.001 0.000 0.269 317 L C -0.892 175.995 176.870 0.028 0.000 1.034 317 L CA -1.711 53.159 54.840 0.049 0.000 0.806 317 L CB 0.952 43.005 42.059 -0.011 0.000 1.244 317 L HN 0.658 nan 8.230 nan 0.000 0.447 318 P HA -0.106 nan 4.420 nan 0.000 0.217 318 P C 0.376 177.676 177.300 0.000 0.000 1.150 318 P CA 0.702 63.806 63.100 0.008 0.000 0.832 318 P CB 0.190 31.892 31.700 0.004 0.000 0.787 319 A N 1.740 124.555 122.820 -0.009 0.000 3.063 319 A HA 0.347 4.667 4.320 0.001 0.000 0.263 319 A C -1.983 175.587 177.584 -0.022 0.000 1.736 319 A CA -0.890 51.136 52.037 -0.017 0.000 1.408 319 A CB -0.876 18.108 19.000 -0.028 0.000 1.108 319 A HN 0.178 nan 8.150 nan 0.000 0.621 320 P HA 0.352 nan 4.420 nan 0.000 0.219 320 P C 0.272 177.570 177.300 -0.003 0.000 1.847 320 P CA -0.340 62.751 63.100 -0.015 0.000 1.110 320 P CB 1.284 32.975 31.700 -0.014 0.000 1.839 321 K N 0.706 121.112 120.400 0.010 0.000 2.166 321 K HA 0.006 4.326 4.320 0.001 0.000 0.201 321 K C 0.550 177.197 176.600 0.077 0.000 1.052 321 K CA 0.844 57.153 56.287 0.036 0.000 0.969 321 K CB -0.645 31.877 32.500 0.037 0.000 0.761 321 K HN 0.226 nan 8.250 nan 0.000 0.459 322 Y N 2.377 122.636 120.300 -0.068 0.000 2.775 322 Y HA 0.166 4.716 4.550 0.001 0.000 0.349 322 Y C -0.723 175.151 175.900 -0.044 0.000 1.094 322 Y CA -0.608 57.455 58.100 -0.061 0.000 1.467 322 Y CB -0.074 38.332 38.460 -0.091 0.000 1.272 322 Y HN -0.205 nan 8.280 nan 0.000 0.515 323 K N 0.779 121.094 120.400 -0.142 0.000 2.476 323 K HA -0.102 4.219 4.320 0.001 0.000 0.273 323 K C 0.828 177.302 176.600 -0.210 0.000 1.056 323 K CA 0.246 56.450 56.287 -0.138 0.000 1.150 323 K CB 0.978 33.426 32.500 -0.087 0.000 0.838 323 K HN 0.243 nan 8.250 nan 0.000 0.486 324 V N 2.792 122.640 119.914 -0.109 0.000 3.573 324 V HA -0.044 4.077 4.120 0.001 0.000 0.270 324 V C 1.218 177.295 176.094 -0.027 0.000 1.221 324 V CA 1.104 63.366 62.300 -0.063 0.000 1.163 324 V CB -1.070 30.766 31.823 0.021 0.000 0.847 324 V HN 1.174 nan 8.190 nan 0.000 0.468 325 G N 1.266 110.040 108.800 -0.043 0.000 2.740 325 G HA2 -0.278 3.683 3.960 0.001 0.000 0.250 325 G HA3 -0.278 3.683 3.960 0.001 0.000 0.250 325 G C -0.124 174.809 174.900 0.056 0.000 1.358 325 G CA -0.235 44.858 45.100 -0.011 0.000 0.897 325 G HN 0.414 nan 8.290 nan 0.000 0.567 326 N N -0.321 118.413 118.700 0.057 0.000 2.458 326 N HA 0.182 4.922 4.740 0.001 0.000 0.258 326 N C -0.079 175.532 175.510 0.168 0.000 1.219 326 N CA 0.400 53.511 53.050 0.102 0.000 0.902 326 N CB 0.478 38.997 38.487 0.055 0.000 1.076 326 N HN 0.434 nan 8.380 nan 0.000 0.455 327 F N 4.038 124.025 119.950 0.061 0.000 2.420 327 F HA 0.265 4.793 4.527 0.001 0.000 0.352 327 F C -1.176 174.662 175.800 0.064 0.000 1.108 327 F CA -1.718 56.336 58.000 0.090 0.000 1.162 327 F CB 1.222 40.308 39.000 0.143 0.000 1.118 327 F HN 0.449 nan 8.300 nan 0.000 0.510 328 P HA 0.063 nan 4.420 nan 0.000 0.249 328 P C -1.014 175.922 177.300 -0.606 0.000 1.229 328 P CA 0.644 63.412 63.100 -0.554 0.000 0.788 328 P CB -0.116 31.157 31.700 -0.712 0.000 1.072 329 F N 0.049 119.729 119.950 -0.449 0.000 2.522 329 F HA 0.517 5.045 4.527 0.001 0.000 0.324 329 F C 0.739 176.871 175.800 0.553 0.000 1.077 329 F CA -0.885 57.123 58.000 0.014 0.000 0.944 329 F CB 1.363 40.377 39.000 0.024 0.000 1.175 329 F HN -0.325 nan 8.300 nan 0.000 0.468 330 S N 0.831 116.951 115.700 0.699 0.000 2.542 330 S HA 0.717 5.187 4.470 0.001 0.000 0.293 330 S C -3.175 171.466 174.600 0.070 0.000 1.089 330 S CA -1.985 56.476 58.200 0.434 0.000 0.961 330 S CB 2.028 65.352 63.200 0.207 0.000 1.062 330 S HN 0.192 nan 8.310 nan 0.000 0.483 331 P HA 0.264 nan 4.420 nan 0.000 0.275 331 P C -0.672 176.414 177.300 -0.357 0.000 1.227 331 P CA -0.520 62.019 63.100 -0.934 0.000 0.781 331 P CB 0.438 31.486 31.700 -1.087 0.000 0.906 332 V N 4.203 123.959 119.914 -0.263 0.000 2.614 332 V HA 0.043 4.164 4.120 0.001 0.000 0.291 332 V C 1.061 177.095 176.094 -0.100 0.000 1.049 332 V CA -0.115 62.123 62.300 -0.102 0.000 1.038 332 V CB 0.004 31.812 31.823 -0.026 0.000 0.980 332 V HN 0.485 nan 8.190 nan 0.000 0.481 333 K N 3.369 123.738 120.400 -0.053 0.000 2.276 333 K HA 0.090 4.410 4.320 0.001 0.000 0.259 333 K C 0.753 177.338 176.600 -0.024 0.000 1.001 333 K CA -0.437 55.825 56.287 -0.042 0.000 0.927 333 K CB 0.521 33.009 32.500 -0.019 0.000 0.969 333 K HN 0.615 nan 8.250 nan 0.000 0.490 334 D N 1.711 122.097 120.400 -0.023 0.000 2.084 334 D HA -0.153 4.488 4.640 0.001 0.000 0.194 334 D C 1.829 178.138 176.300 0.016 0.000 0.990 334 D CA 1.200 55.194 54.000 -0.010 0.000 0.826 334 D CB -0.015 40.776 40.800 -0.013 0.000 0.971 334 D HN 0.452 nan 8.370 nan 0.000 0.453 335 R N 0.963 121.474 120.500 0.017 0.000 2.290 335 R HA -0.280 4.060 4.340 0.001 0.000 0.232 335 R C 2.112 178.440 176.300 0.047 0.000 1.110 335 R CA 2.363 58.480 56.100 0.029 0.000 0.871 335 R CB -0.381 29.933 30.300 0.023 0.000 0.964 335 R HN 0.214 nan 8.270 nan 0.000 0.410 336 E N -1.360 118.869 120.200 0.049 0.000 2.046 336 E HA -0.117 4.233 4.350 0.001 0.000 0.190 336 E C 1.956 178.613 176.600 0.095 0.000 0.982 336 E CA 0.784 57.230 56.400 0.076 0.000 0.800 336 E CB -0.133 29.610 29.700 0.072 0.000 0.756 336 E HN 0.507 nan 8.360 nan 0.000 0.449 337 A N 1.190 124.051 122.820 0.070 0.000 1.909 337 A HA -0.277 4.044 4.320 0.001 0.000 0.221 337 A C 2.368 180.034 177.584 0.135 0.000 1.223 337 A CA 2.441 54.528 52.037 0.084 0.000 0.658 337 A CB -1.584 17.428 19.000 0.020 0.000 0.831 337 A HN 0.452 nan 8.150 nan 0.000 0.462 338 G N -1.242 107.623 108.800 0.109 0.000 2.480 338 G HA2 -0.268 3.692 3.960 0.001 0.000 0.216 338 G HA3 -0.268 3.692 3.960 0.001 0.000 0.216 338 G C 1.548 176.523 174.900 0.126 0.000 1.200 338 G CA 1.031 46.205 45.100 0.123 0.000 0.782 338 G HN 0.694 nan 8.290 nan 0.000 0.554 339 Q N -0.201 119.668 119.800 0.114 0.000 2.234 339 Q HA -0.057 4.283 4.340 0.001 0.000 0.206 339 Q C 2.548 178.634 176.000 0.143 0.000 0.980 339 Q CA 0.951 56.829 55.803 0.124 0.000 0.869 339 Q CB -0.187 28.630 28.738 0.133 0.000 0.912 339 Q HN 0.561 nan 8.270 nan 0.000 0.436 340 I N 0.283 120.943 120.570 0.150 0.000 2.277 340 I HA -0.222 3.948 4.170 0.001 0.000 0.243 340 I C 2.248 178.426 176.117 0.102 0.000 1.094 340 I CA 0.840 62.206 61.300 0.111 0.000 1.393 340 I CB -0.134 37.948 38.000 0.136 0.000 1.078 340 I HN 0.102 nan 8.210 nan 0.000 0.417 341 R N 0.362 120.976 120.500 0.190 0.000 2.113 341 R HA -0.258 4.083 4.340 0.001 0.000 0.244 341 R C 2.315 178.559 176.300 -0.093 0.000 1.142 341 R CA 1.439 57.604 56.100 0.107 0.000 0.953 341 R CB -0.602 29.945 30.300 0.411 0.000 0.860 341 R HN 0.352 nan 8.270 nan 0.000 0.438 342 Q N 0.516 120.313 119.800 -0.006 0.000 2.084 342 Q HA -0.073 4.267 4.340 0.001 0.000 0.202 342 Q C 2.215 178.180 176.000 -0.059 0.000 0.978 342 Q CA 1.991 57.773 55.803 -0.034 0.000 0.844 342 Q CB -0.209 28.543 28.738 0.024 0.000 0.898 342 Q HN 0.424 nan 8.270 nan 0.000 0.426 343 A N 0.294 123.107 122.820 -0.013 0.000 1.972 343 A HA -0.065 4.256 4.320 0.001 0.000 0.219 343 A C 2.205 179.685 177.584 -0.173 0.000 1.169 343 A CA 1.834 53.875 52.037 0.006 0.000 0.635 343 A CB -0.532 18.513 19.000 0.075 0.000 0.810 343 A HN 0.415 nan 8.150 nan 0.000 0.446 344 A N -1.656 120.987 122.820 -0.295 0.000 1.898 344 A HA 0.015 4.335 4.320 0.001 0.000 0.214 344 A C 2.270 179.528 177.584 -0.544 0.000 1.183 344 A CA 1.974 53.606 52.037 -0.674 0.000 0.622 344 A CB -1.123 17.592 19.000 -0.475 0.000 0.824 344 A HN 0.365 nan 8.150 nan 0.000 0.444 345 T N -0.022 114.299 114.554 -0.388 0.000 2.720 345 T HA -0.099 4.251 4.350 0.001 0.000 0.268 345 T C 1.805 176.345 174.700 -0.268 0.000 1.037 345 T CA 1.640 63.543 62.100 -0.328 0.000 1.144 345 T CB -0.513 68.197 68.868 -0.263 0.000 0.864 345 T HN 0.575 nan 8.240 nan 0.000 0.444 346 G N -0.192 108.471 108.800 -0.228 0.000 2.586 346 G HA2 -0.033 3.928 3.960 0.001 0.000 0.215 346 G HA3 -0.033 3.928 3.960 0.001 0.000 0.215 346 G C 1.208 175.987 174.900 -0.202 0.000 1.128 346 G CA 0.445 45.447 45.100 -0.164 0.000 0.774 346 G HN 0.484 nan 8.290 nan 0.000 0.543 347 V N -0.721 118.994 119.914 -0.331 0.000 3.477 347 V HA 0.456 4.577 4.120 0.001 0.000 0.297 347 V C 1.674 177.566 176.094 -0.337 0.000 1.433 347 V CA 0.737 62.815 62.300 -0.371 0.000 1.052 347 V CB 0.394 31.842 31.823 -0.625 0.000 0.895 347 V HN 0.627 nan 8.190 nan 0.000 0.438 348 G N 0.805 109.422 108.800 -0.305 0.000 2.163 348 G HA2 -0.179 3.782 3.960 0.001 0.000 0.213 348 G HA3 -0.179 3.782 3.960 0.001 0.000 0.213 348 G C -0.057 174.686 174.900 -0.261 0.000 0.991 348 G CA -0.106 44.852 45.100 -0.237 0.000 0.653 348 G HN 0.394 nan 8.290 nan 0.000 0.518 349 L N 1.676 122.683 121.223 -0.360 0.000 2.282 349 L HA 0.598 4.939 4.340 0.001 0.000 0.288 349 L C -0.299 176.322 176.870 -0.415 0.000 1.033 349 L CA -0.939 53.691 54.840 -0.350 0.000 0.807 349 L CB 1.249 43.065 42.059 -0.405 0.000 1.209 349 L HN 0.175 nan 8.230 nan 0.000 0.423 350 N N 3.142 121.625 118.700 -0.362 0.000 2.329 350 N HA 0.493 5.233 4.740 0.001 0.000 0.282 350 N C -1.611 173.716 175.510 -0.305 0.000 1.198 350 N CA -0.722 52.020 53.050 -0.513 0.000 0.790 350 N CB 2.407 40.661 38.487 -0.388 0.000 1.579 350 N HN 0.580 nan 8.380 nan 0.000 0.475 351 W N -0.289 121.003 121.300 -0.012 0.000 2.820 351 W HA 0.507 5.168 4.660 0.001 0.000 0.350 351 W C -1.005 175.521 176.519 0.013 0.000 1.116 351 W CA -0.686 56.664 57.345 0.009 0.000 1.146 351 W CB 0.357 29.833 29.460 0.025 0.000 1.433 351 W HN 0.309 nan 8.180 nan 0.000 0.561 352 D N 0.775 121.444 120.400 0.448 0.000 2.414 352 D HA -0.002 4.639 4.640 0.001 0.000 0.259 352 D C 1.331 177.756 176.300 0.209 0.000 1.269 352 D CA -0.049 54.126 54.000 0.291 0.000 1.028 352 D CB 0.743 41.637 40.800 0.156 0.000 1.093 352 D HN 0.477 nan 8.370 nan 0.000 0.545 353 E N -0.245 120.014 120.200 0.098 0.000 2.409 353 E HA -0.191 4.159 4.350 0.001 0.000 0.198 353 E C 1.003 177.589 176.600 -0.023 0.000 1.024 353 E CA 0.771 57.163 56.400 -0.012 0.000 0.861 353 E CB -0.342 29.367 29.700 0.014 0.000 0.788 353 E HN 0.311 nan 8.360 nan 0.000 0.521 354 N N -0.114 118.603 118.700 0.027 0.000 2.457 354 N HA 0.027 4.767 4.740 0.001 0.000 0.180 354 N C -0.373 175.154 175.510 0.029 0.000 1.050 354 N CA 0.380 53.452 53.050 0.037 0.000 0.906 354 N CB 0.207 38.735 38.487 0.068 0.000 0.968 354 N HN 0.131 nan 8.380 nan 0.000 0.445 355 L N 0.227 121.440 121.223 -0.016 0.000 2.330 355 L HA 0.572 4.912 4.340 0.001 0.000 0.271 355 L C -0.048 176.711 176.870 -0.185 0.000 1.013 355 L CA -1.006 53.819 54.840 -0.024 0.000 0.816 355 L CB 1.773 43.855 42.059 0.038 0.000 1.287 355 L HN -0.028 nan 8.230 nan 0.000 0.435 356 R N 1.638 122.104 120.500 -0.057 0.000 2.725 356 R HA 0.576 4.917 4.340 0.001 0.000 0.277 356 R C -1.556 174.739 176.300 -0.010 0.000 0.987 356 R CA -1.051 54.980 56.100 -0.115 0.000 0.901 356 R CB 2.132 32.425 30.300 -0.010 0.000 1.207 356 R HN 0.312 nan 8.270 nan 0.000 0.463 357 L N 1.636 122.798 121.223 -0.103 0.000 2.290 357 L HA 0.451 4.791 4.340 0.001 0.000 0.284 357 L C -0.283 176.532 176.870 -0.092 0.000 1.078 357 L CA -0.064 54.770 54.840 -0.010 0.000 0.815 357 L CB 0.145 42.224 42.059 0.033 0.000 1.162 357 L HN 0.356 nan 8.230 nan 0.000 0.435 358 W N 1.741 122.947 121.300 -0.158 0.000 2.671 358 W HA 0.764 5.424 4.660 0.001 0.000 0.360 358 W C -0.161 176.389 176.519 0.052 0.000 1.128 358 W CA -0.514 56.775 57.345 -0.093 0.000 1.184 358 W CB 1.206 30.460 29.460 -0.345 0.000 1.415 358 W HN 0.586 nan 8.180 nan 0.000 0.604 359 Q N 0.680 120.733 119.800 0.421 0.000 2.501 359 Q HA 0.622 4.962 4.340 0.001 0.000 0.288 359 Q C -0.479 175.761 176.000 0.399 0.000 1.051 359 Q CA -0.880 55.155 55.803 0.387 0.000 0.788 359 Q CB 3.077 31.953 28.738 0.229 0.000 1.469 359 Q HN 0.625 nan 8.270 nan 0.000 0.416 360 R N 0.094 120.778 120.500 0.305 0.000 3.609 360 R HA 0.183 4.523 4.340 0.001 0.000 0.149 360 R C -0.148 176.192 176.300 0.066 0.000 0.948 360 R CA 0.578 56.737 56.100 0.098 0.000 1.014 360 R CB 0.498 30.762 30.300 -0.060 0.000 1.404 360 R HN 0.831 nan 8.270 nan 0.000 0.493 361 D N -0.000 120.460 120.400 0.100 0.000 3.519 361 D HA 0.127 4.767 4.640 0.001 0.000 0.203 361 D C 0.905 177.255 176.300 0.084 0.000 1.117 361 D CA -0.171 53.868 54.000 0.066 0.000 1.295 361 D CB 0.308 41.134 40.800 0.044 0.000 0.943 361 D HN -0.109 nan 8.370 nan 0.000 0.220 362 K N 1.203 121.649 120.400 0.076 0.000 2.504 362 K HA 0.106 4.427 4.320 0.001 0.000 0.195 362 K C 0.478 177.132 176.600 0.090 0.000 1.036 362 K CA 0.333 56.660 56.287 0.068 0.000 0.984 362 K CB -0.364 32.174 32.500 0.063 0.000 0.788 362 K HN 0.342 nan 8.250 nan 0.000 0.488 363 E N 0.791 121.078 120.200 0.146 0.000 2.383 363 E HA 0.195 4.546 4.350 0.001 0.000 0.264 363 E C -0.418 176.332 176.600 0.249 0.000 1.050 363 E CA -0.045 56.481 56.400 0.210 0.000 0.896 363 E CB 0.676 30.621 29.700 0.409 0.000 0.982 363 E HN 0.028 nan 8.360 nan 0.000 0.424 364 L N 3.406 124.706 121.223 0.129 0.000 2.406 364 L HA 0.369 4.710 4.340 0.001 0.000 0.270 364 L C -1.205 175.656 176.870 -0.015 0.000 0.982 364 L CA -0.662 54.253 54.840 0.126 0.000 0.843 364 L CB 0.821 42.917 42.059 0.061 0.000 1.225 364 L HN 0.489 nan 8.230 nan 0.000 0.412 365 W N 3.836 125.128 121.300 -0.012 0.000 2.639 365 W HA 0.689 5.349 4.660 0.001 0.000 0.347 365 W C -0.674 175.718 176.519 -0.212 0.000 1.067 365 W CA -0.378 56.864 57.345 -0.173 0.000 1.218 365 W CB 1.631 30.793 29.460 -0.497 0.000 1.393 365 W HN 0.167 nan 8.180 nan 0.000 0.557 366 L N 3.375 124.632 121.223 0.056 0.000 2.325 366 L HA 0.497 4.837 4.340 0.001 0.000 0.281 366 L C -1.003 175.963 176.870 0.159 0.000 1.004 366 L CA -0.749 54.143 54.840 0.088 0.000 0.823 366 L CB 0.522 42.684 42.059 0.172 0.000 1.236 366 L HN 0.131 nan 8.230 nan 0.000 0.415 367 F N 3.502 123.573 119.950 0.202 0.000 2.492 367 F HA 0.569 5.097 4.527 0.001 0.000 0.327 367 F C -2.071 173.770 175.800 0.069 0.000 1.079 367 F CA -3.255 54.766 58.000 0.035 0.000 0.967 367 F CB 1.213 40.087 39.000 -0.210 0.000 1.169 367 F HN 0.232 nan 8.300 nan 0.000 0.472 368 P HA 0.103 nan 4.420 nan 0.000 0.276 368 P C 0.771 178.137 177.300 0.109 0.000 1.235 368 P CA 0.010 63.189 63.100 0.132 0.000 0.772 368 P CB 1.548 33.303 31.700 0.091 0.000 0.871 369 V N 4.112 124.086 119.914 0.099 0.000 2.380 369 V HA -0.243 3.878 4.120 0.001 0.000 0.251 369 V C 2.788 178.910 176.094 0.047 0.000 1.063 369 V CA 2.764 65.116 62.300 0.085 0.000 1.055 369 V CB -1.750 30.106 31.823 0.056 0.000 0.657 369 V HN 0.805 nan 8.190 nan 0.000 0.455 370 G N -0.249 108.574 108.800 0.040 0.000 2.596 370 G HA2 -0.345 3.616 3.960 0.001 0.000 0.223 370 G HA3 -0.345 3.616 3.960 0.001 0.000 0.223 370 G C 1.510 176.409 174.900 -0.000 0.000 1.120 370 G CA 1.556 46.672 45.100 0.027 0.000 0.752 370 G HN 0.509 nan 8.290 nan 0.000 0.596 371 I N 0.640 121.191 120.570 -0.033 0.000 3.030 371 I HA 0.074 4.245 4.170 0.001 0.000 0.270 371 I C 2.459 178.484 176.117 -0.154 0.000 1.211 371 I CA 0.371 61.604 61.300 -0.112 0.000 1.479 371 I CB -0.137 37.709 38.000 -0.257 0.000 1.105 371 I HN 0.232 nan 8.210 nan 0.000 0.447 372 E N 0.856 121.000 120.200 -0.093 0.000 2.136 372 E HA -0.339 4.012 4.350 0.001 0.000 0.202 372 E C 2.175 178.724 176.600 -0.084 0.000 1.019 372 E CA 1.628 57.987 56.400 -0.069 0.000 0.819 372 E CB -0.591 29.153 29.700 0.074 0.000 0.739 372 E HN 0.576 nan 8.360 nan 0.000 0.458 373 A N 0.734 123.520 122.820 -0.057 0.000 2.131 373 A HA -0.146 4.174 4.320 0.001 0.000 0.220 373 A C 2.084 179.632 177.584 -0.059 0.000 1.158 373 A CA 1.206 53.208 52.037 -0.057 0.000 0.665 373 A CB -0.328 18.633 19.000 -0.066 0.000 0.795 373 A HN 0.122 nan 8.150 nan 0.000 0.460 374 L N -0.642 120.559 121.223 -0.037 0.000 2.463 374 L HA 0.252 4.593 4.340 0.001 0.000 0.219 374 L C 0.592 177.510 176.870 0.081 0.000 1.088 374 L CA 0.025 54.897 54.840 0.052 0.000 0.849 374 L CB -0.362 41.821 42.059 0.206 0.000 1.012 374 L HN 0.219 nan 8.230 nan 0.000 0.468 375 I N 1.880 122.406 120.570 -0.073 0.000 3.045 375 I HA -0.048 4.122 4.170 0.001 0.000 0.306 375 I C 1.466 177.498 176.117 -0.141 0.000 1.232 375 I CA 1.203 62.341 61.300 -0.269 0.000 1.415 375 I CB -0.748 36.828 38.000 -0.707 0.000 1.364 375 I HN 0.525 nan 8.210 nan 0.000 0.538 376 G N 5.147 113.921 108.800 -0.044 0.000 2.213 376 G HA2 -0.265 3.695 3.960 0.001 0.000 0.226 376 G HA3 -0.265 3.695 3.960 0.001 0.000 0.226 376 G C 0.905 175.808 174.900 0.006 0.000 0.992 376 G CA 0.126 45.224 45.100 -0.003 0.000 0.632 376 G HN 0.639 nan 8.290 nan 0.000 0.511 377 K N -0.215 120.190 120.400 0.007 0.000 2.323 377 K HA 0.476 4.796 4.320 0.001 0.000 0.197 377 K C 0.741 177.322 176.600 -0.032 0.000 1.043 377 K CA 1.228 57.509 56.287 -0.010 0.000 0.997 377 K CB 1.005 33.499 32.500 -0.010 0.000 0.807 377 K HN 0.876 nan 8.250 nan 0.000 0.497 378 V N -1.209 118.691 119.914 -0.023 0.000 3.012 378 V HA 0.482 4.603 4.120 0.001 0.000 0.307 378 V C -1.171 174.917 176.094 -0.010 0.000 1.166 378 V CA -1.482 60.776 62.300 -0.071 0.000 0.974 378 V CB 2.050 33.791 31.823 -0.136 0.000 1.040 378 V HN -0.100 nan 8.190 nan 0.000 0.428 379 R N 1.830 122.455 120.500 0.209 0.000 2.347 379 R HA 0.601 4.942 4.340 0.001 0.000 0.304 379 R C -1.062 175.262 176.300 0.041 0.000 1.072 379 R CA 0.022 56.259 56.100 0.228 0.000 0.980 379 R CB 0.312 30.801 30.300 0.315 0.000 0.986 379 R HN 0.691 nan 8.270 nan 0.000 0.448 380 F N 0.817 120.869 119.950 0.170 0.000 2.397 380 F HA 0.171 4.698 4.527 0.001 0.000 0.331 380 F C 1.630 177.438 175.800 0.013 0.000 1.090 380 F CA 0.144 58.192 58.000 0.079 0.000 1.065 380 F CB 1.957 40.987 39.000 0.049 0.000 1.184 380 F HN 0.595 nan 8.300 nan 0.000 0.499 381 S N 2.307 118.099 115.700 0.154 0.000 2.458 381 S HA 0.171 4.641 4.470 0.001 0.000 0.223 381 S C 0.454 175.092 174.600 0.063 0.000 1.019 381 S CA 0.168 58.400 58.200 0.052 0.000 0.937 381 S CB 0.102 63.293 63.200 -0.015 0.000 0.788 381 S HN 0.719 nan 8.310 nan 0.000 0.511 382 R N -0.813 119.746 120.500 0.099 0.000 2.739 382 R HA 0.508 4.848 4.340 0.001 0.000 0.266 382 R C -2.572 173.700 176.300 -0.046 0.000 1.044 382 R CA -0.664 55.450 56.100 0.023 0.000 0.885 382 R CB 0.422 30.740 30.300 0.030 0.000 1.260 382 R HN 0.277 nan 8.270 nan 0.000 0.477 383 L N 2.575 123.713 121.223 -0.141 0.000 2.455 383 L HA 0.686 5.026 4.340 0.001 0.000 0.264 383 L C 0.728 177.773 176.870 0.292 0.000 0.968 383 L CA 0.287 54.958 54.840 -0.281 0.000 0.827 383 L CB 2.015 43.291 42.059 -1.306 0.000 1.317 383 L HN 1.024 nan 8.230 nan 0.000 0.407 384 G N 2.441 111.402 108.800 0.269 0.000 2.596 384 G HA2 -0.242 3.719 3.960 0.001 0.000 0.295 384 G HA3 -0.242 3.719 3.960 0.001 0.000 0.295 384 G C -0.293 174.865 174.900 0.431 0.000 1.240 384 G CA 0.414 45.762 45.100 0.413 0.000 0.985 384 G HN 1.116 nan 8.290 nan 0.000 0.555 385 I N -2.735 118.045 120.570 0.349 0.000 2.785 385 I HA 0.736 4.907 4.170 0.001 0.000 0.302 385 I C -0.073 175.857 176.117 -0.312 0.000 1.069 385 I CA -1.248 60.118 61.300 0.111 0.000 1.045 385 I CB 2.208 40.253 38.000 0.075 0.000 1.236 385 I HN 0.485 nan 8.210 nan 0.000 0.429 386 K N 2.911 122.814 120.400 -0.828 0.000 2.349 386 K HA 0.153 4.473 4.320 0.001 0.000 0.288 386 K C 0.326 176.660 176.600 -0.445 0.000 1.058 386 K CA -0.283 55.285 56.287 -1.199 0.000 0.953 386 K CB 1.308 33.190 32.500 -1.029 0.000 0.997 386 K HN 0.674 nan 8.250 nan 0.000 0.477 387 L N 4.332 125.376 121.223 -0.298 0.000 2.102 387 L HA 0.189 4.530 4.340 0.001 0.000 0.202 387 L C 0.159 177.028 176.870 -0.001 0.000 1.076 387 L CA 1.428 56.256 54.840 -0.019 0.000 0.761 387 L CB 0.024 42.149 42.059 0.109 0.000 0.921 387 L HN 0.675 nan 8.230 nan 0.000 0.444 388 A N -1.098 121.635 122.820 -0.146 0.000 2.599 388 A HA 0.643 4.964 4.320 0.001 0.000 0.290 388 A C -1.450 176.038 177.584 -0.160 0.000 1.101 388 A CA -0.498 51.394 52.037 -0.242 0.000 0.674 388 A CB 0.859 19.502 19.000 -0.595 0.000 1.277 388 A HN 0.076 nan 8.150 nan 0.000 0.419 389 E N 0.241 120.353 120.200 -0.148 0.000 2.176 389 E HA 0.581 4.932 4.350 0.001 0.000 0.267 389 E C -0.728 175.834 176.600 -0.063 0.000 0.893 389 E CA -0.144 56.217 56.400 -0.065 0.000 0.761 389 E CB 1.281 30.944 29.700 -0.061 0.000 1.133 389 E HN 0.569 nan 8.360 nan 0.000 0.409 390 T N 4.733 119.274 114.554 -0.023 0.000 2.870 390 T HA 0.131 4.481 4.350 0.001 0.000 0.300 390 T C -0.502 174.197 174.700 -0.002 0.000 0.989 390 T CA 0.023 62.069 62.100 -0.090 0.000 1.139 390 T CB 0.096 68.908 68.868 -0.093 0.000 0.920 390 T HN 0.357 nan 8.240 nan 0.000 0.537 391 H N 4.338 123.286 119.070 -0.202 0.000 2.934 391 H HA 0.209 4.766 4.556 0.001 0.000 0.340 391 H C 0.297 175.533 175.328 -0.154 0.000 1.008 391 H CA -0.580 55.385 56.048 -0.139 0.000 1.317 391 H CB 0.793 30.499 29.762 -0.094 0.000 1.670 391 H HN 0.805 nan 8.280 nan 0.000 0.516 392 N N 2.304 120.749 118.700 -0.426 0.000 1.279 392 N HA -0.289 4.451 4.740 0.001 0.000 0.104 392 N C 0.573 175.939 175.510 -0.240 0.000 0.824 392 N CA 0.931 53.805 53.050 -0.295 0.000 0.843 392 N CB -0.381 37.967 38.487 -0.232 0.000 0.916 392 N HN 0.612 nan 8.380 nan 0.000 0.671 393 K N 1.351 121.636 120.400 -0.192 0.000 2.555 393 K HA 0.076 4.396 4.320 0.001 0.000 0.193 393 K C 1.270 177.660 176.600 -0.351 0.000 1.032 393 K CA 0.815 56.977 56.287 -0.208 0.000 1.004 393 K CB -0.267 32.166 32.500 -0.113 0.000 0.804 393 K HN 0.462 nan 8.250 nan 0.000 0.496 394 G N -0.553 108.038 108.800 -0.349 0.000 2.606 394 G HA2 0.433 4.393 3.960 0.001 0.000 0.262 394 G HA3 0.433 4.393 3.960 0.001 0.000 0.262 394 G C -1.117 173.356 174.900 -0.713 0.000 1.394 394 G CA -0.507 44.364 45.100 -0.382 0.000 1.044 394 G HN 0.096 nan 8.290 nan 0.000 0.553 395 Y N -1.429 118.767 120.300 -0.174 0.000 2.482 395 Y HA 0.467 5.017 4.550 0.001 0.000 0.334 395 Y C 0.022 175.613 175.900 -0.516 0.000 1.091 395 Y CA -0.971 56.840 58.100 -0.482 0.000 1.027 395 Y CB 1.942 39.789 38.460 -1.022 0.000 1.306 395 Y HN 0.263 nan 8.280 nan 0.000 0.446 396 R N 2.264 122.596 120.500 -0.279 0.000 2.280 396 R HA 0.216 4.557 4.340 0.001 0.000 0.326 396 R C -1.474 174.684 176.300 -0.236 0.000 1.080 396 R CA -0.602 55.391 56.100 -0.180 0.000 1.002 396 R CB 0.465 30.723 30.300 -0.070 0.000 1.136 396 R HN 0.631 nan 8.270 nan 0.000 0.509 397 W N 2.370 123.717 121.300 0.077 0.000 2.231 397 W HA -0.006 4.655 4.660 0.001 0.000 0.341 397 W C 0.800 177.340 176.519 0.035 0.000 1.298 397 W CA -0.142 57.224 57.345 0.034 0.000 1.266 397 W CB 0.317 29.786 29.460 0.015 0.000 1.172 397 W HN 0.168 nan 8.180 nan 0.000 0.568 398 Q N 2.891 122.815 119.800 0.206 0.000 2.235 398 Q HA -0.004 4.336 4.340 0.001 0.000 0.250 398 Q C 1.496 177.598 176.000 0.170 0.000 0.909 398 Q CA -0.308 55.571 55.803 0.127 0.000 0.910 398 Q CB 0.918 29.668 28.738 0.020 0.000 1.223 398 Q HN 0.649 nan 8.270 nan 0.000 0.432 399 H N 3.339 122.458 119.070 0.082 0.000 2.319 399 H HA -0.208 4.348 4.556 0.001 0.000 0.297 399 H C 1.436 176.809 175.328 0.076 0.000 1.097 399 H CA 2.506 58.609 56.048 0.092 0.000 1.285 399 H CB 0.527 30.319 29.762 0.050 0.000 1.368 399 H HN 0.831 nan 8.280 nan 0.000 0.495 400 E N 0.364 120.576 120.200 0.022 0.000 2.209 400 E HA -0.120 4.231 4.350 0.001 0.000 0.196 400 E C 2.213 178.783 176.600 -0.049 0.000 0.993 400 E CA 1.009 57.381 56.400 -0.046 0.000 0.819 400 E CB -0.232 29.499 29.700 0.051 0.000 0.745 400 E HN 0.477 nan 8.360 nan 0.000 0.477 401 A N 1.341 124.157 122.820 -0.007 0.000 1.929 401 A HA -0.009 4.312 4.320 0.001 0.000 0.216 401 A C 2.457 180.031 177.584 -0.016 0.000 1.176 401 A CA 1.031 53.077 52.037 0.015 0.000 0.628 401 A CB -0.484 18.558 19.000 0.071 0.000 0.816 401 A HN 0.185 nan 8.150 nan 0.000 0.444 402 V N 0.444 120.340 119.914 -0.031 0.000 2.295 402 V HA -0.283 3.838 4.120 0.001 0.000 0.246 402 V C 2.381 178.422 176.094 -0.088 0.000 1.049 402 V CA 2.132 64.398 62.300 -0.056 0.000 1.024 402 V CB -0.752 31.061 31.823 -0.017 0.000 0.648 402 V HN 0.581 nan 8.190 nan 0.000 0.447 403 I N 0.301 120.775 120.570 -0.160 0.000 2.454 403 I HA -0.213 3.957 4.170 0.001 0.000 0.254 403 I C 2.466 178.555 176.117 -0.047 0.000 1.156 403 I CA 1.404 62.636 61.300 -0.113 0.000 1.433 403 I CB -0.432 37.469 38.000 -0.164 0.000 1.082 403 I HN 0.298 nan 8.210 nan 0.000 0.432 404 A N 0.594 123.393 122.820 -0.035 0.000 1.911 404 A HA 0.138 4.459 4.320 0.001 0.000 0.212 404 A C 1.918 179.503 177.584 0.002 0.000 1.189 404 A CA 0.759 52.797 52.037 0.002 0.000 0.639 404 A CB -0.273 18.744 19.000 0.029 0.000 0.839 404 A HN 0.410 nan 8.150 nan 0.000 0.449 405 L N -1.039 120.172 121.223 -0.019 0.000 2.766 405 L HA 0.463 4.803 4.340 0.001 0.000 0.242 405 L C 0.845 177.663 176.870 -0.086 0.000 1.136 405 L CA 0.059 54.874 54.840 -0.041 0.000 0.933 405 L CB 0.134 42.162 42.059 -0.051 0.000 1.241 405 L HN 0.183 nan 8.230 nan 0.000 0.522 406 A N 0.434 123.207 122.820 -0.078 0.000 2.404 406 A HA 0.452 4.772 4.320 0.001 0.000 0.273 406 A C 0.329 177.871 177.584 -0.069 0.000 1.144 406 A CA 0.113 52.095 52.037 -0.091 0.000 0.806 406 A CB 0.413 19.367 19.000 -0.077 0.000 1.080 406 A HN 0.130 nan 8.150 nan 0.000 0.509 407 S N 3.728 119.378 115.700 -0.083 0.000 2.452 407 S HA 0.483 4.954 4.470 0.001 0.000 0.284 407 S C -1.186 173.383 174.600 -0.053 0.000 1.171 407 S CA -1.500 56.662 58.200 -0.062 0.000 1.064 407 S CB 0.836 63.994 63.200 -0.070 0.000 0.967 407 S HN 0.651 nan 8.310 nan 0.000 0.484 408 P HA -0.013 nan 4.420 nan 0.000 0.215 408 P C -0.233 177.052 177.300 -0.025 0.000 1.160 408 P CA 0.596 63.688 63.100 -0.014 0.000 0.869 408 P CB -0.498 31.213 31.700 0.018 0.000 0.782 409 D N 1.199 121.574 120.400 -0.042 0.000 2.376 409 D HA 0.007 4.647 4.640 0.001 0.000 0.278 409 D C -0.121 176.144 176.300 -0.058 0.000 1.384 409 D CA 0.437 54.398 54.000 -0.065 0.000 1.033 409 D CB -1.147 39.610 40.800 -0.072 0.000 1.102 409 D HN 0.167 nan 8.370 nan 0.000 0.530 413 A N 0.489 123.319 122.820 0.016 0.000 2.386 413 A HA 0.595 4.916 4.320 0.001 0.000 0.246 413 A C -0.705 176.951 177.584 0.121 0.000 1.089 413 A CA 0.359 52.419 52.037 0.038 0.000 0.790 413 A CB 0.164 19.172 19.000 0.014 0.000 1.042 413 A HN 0.282 nan 8.150 nan 0.000 0.497 414 F N 0.019 119.938 119.950 -0.052 0.000 2.653 414 F HA 0.464 4.992 4.527 0.001 0.000 0.327 414 F C -0.407 175.364 175.800 -0.050 0.000 1.195 414 F CA -0.478 57.494 58.000 -0.046 0.000 0.993 414 F CB 1.629 40.591 39.000 -0.062 0.000 1.259 414 F HN 0.659 nan 8.300 nan 0.000 0.478 415 E N 5.661 125.581 120.200 -0.467 0.000 2.229 415 E HA 0.423 4.773 4.350 0.001 0.000 0.283 415 E C -1.160 175.272 176.600 -0.281 0.000 1.030 415 E CA -0.126 56.100 56.400 -0.290 0.000 0.836 415 E CB 0.824 30.365 29.700 -0.265 0.000 1.068 415 E HN 0.724 nan 8.360 nan 0.000 0.401 416 L N 3.168 124.407 121.223 0.027 0.000 2.439 416 L HA 0.348 4.689 4.340 0.001 0.000 0.261 416 L C 0.676 177.675 176.870 0.216 0.000 1.153 416 L CA -0.662 54.255 54.840 0.128 0.000 0.808 416 L CB 1.056 43.159 42.059 0.074 0.000 1.126 416 L HN 0.680 nan 8.230 nan 0.000 0.460 417 T N -1.795 112.840 114.554 0.134 0.000 2.904 417 T HA 0.194 4.545 4.350 0.001 0.000 0.290 417 T C -1.938 172.806 174.700 0.073 0.000 1.018 417 T CA -1.684 60.513 62.100 0.161 0.000 1.075 417 T CB 1.210 70.126 68.868 0.081 0.000 0.986 417 T HN 0.336 nan 8.240 nan 0.000 0.523 418 P HA -0.239 nan 4.420 nan 0.000 0.217 418 P C 1.748 178.940 177.300 -0.180 0.000 1.158 418 P CA 1.477 64.498 63.100 -0.132 0.000 0.887 418 P CB 0.037 31.816 31.700 0.132 0.000 0.792 419 Q N -0.054 119.712 119.800 -0.057 0.000 2.061 419 Q HA -0.247 4.094 4.340 0.001 0.000 0.204 419 Q C 2.079 178.044 176.000 -0.059 0.000 0.984 419 Q CA 1.935 57.714 55.803 -0.040 0.000 0.846 419 Q CB -0.463 28.276 28.738 0.001 0.000 0.902 419 Q HN 0.264 nan 8.270 nan 0.000 0.421 420 E N -0.278 119.890 120.200 -0.053 0.000 2.106 420 E HA -0.178 4.172 4.350 0.001 0.000 0.192 420 E C 1.931 178.459 176.600 -0.120 0.000 0.984 420 E CA 0.851 57.232 56.400 -0.032 0.000 0.806 420 E CB -0.166 29.553 29.700 0.033 0.000 0.750 420 E HN 0.527 nan 8.360 nan 0.000 0.458 421 A N 1.347 123.975 122.820 -0.320 0.000 1.877 421 A HA -0.266 4.055 4.320 0.001 0.000 0.216 421 A C 1.958 179.371 177.584 -0.286 0.000 1.186 421 A CA 1.526 53.267 52.037 -0.492 0.000 0.620 421 A CB -0.470 17.833 19.000 -1.162 0.000 0.822 421 A HN 0.171 nan 8.150 nan 0.000 0.443 422 E N -0.430 119.664 120.200 -0.176 0.000 2.086 422 E HA -0.235 4.116 4.350 0.001 0.000 0.200 422 E C 2.083 178.671 176.600 -0.021 0.000 1.012 422 E CA 1.436 57.816 56.400 -0.033 0.000 0.812 422 E CB -0.171 29.507 29.700 -0.037 0.000 0.743 422 E HN 0.605 nan 8.360 nan 0.000 0.453 423 E N 0.131 120.311 120.200 -0.032 0.000 2.049 423 E HA -0.232 4.118 4.350 0.001 0.000 0.198 423 E C 1.808 178.390 176.600 -0.029 0.000 1.007 423 E CA 0.952 57.348 56.400 -0.007 0.000 0.809 423 E CB -0.495 29.224 29.700 0.032 0.000 0.749 423 E HN 0.524 nan 8.360 nan 0.000 0.450 424 W N 0.659 121.788 121.300 -0.285 0.000 2.318 424 W HA -0.270 4.391 4.660 0.001 0.000 0.313 424 W C 1.732 177.964 176.519 -0.478 0.000 1.221 424 W CA 1.403 58.511 57.345 -0.395 0.000 1.266 424 W CB -0.337 28.790 29.460 -0.555 0.000 1.150 424 W HN 0.135 nan 8.180 nan 0.000 0.496 425 Y N 0.214 120.390 120.300 -0.206 0.000 2.395 425 Y HA -0.024 4.526 4.550 0.001 0.000 0.293 425 Y C 2.511 178.249 175.900 -0.269 0.000 1.123 425 Y CA 1.245 59.079 58.100 -0.444 0.000 1.227 425 Y CB -1.001 37.292 38.460 -0.278 0.000 1.012 425 Y HN -0.130 nan 8.280 nan 0.000 0.552 426 R N 0.028 120.516 120.500 -0.020 0.000 2.339 426 R HA 0.064 4.404 4.340 0.001 0.000 0.199 426 R C 1.197 177.459 176.300 -0.063 0.000 1.018 426 R CA 0.639 56.726 56.100 -0.022 0.000 1.036 426 R CB -0.510 29.782 30.300 -0.013 0.000 0.899 426 R HN 0.391 nan 8.270 nan 0.000 0.473 427 G N 1.574 110.280 108.800 -0.157 0.000 2.272 427 G HA2 -0.331 3.630 3.960 0.001 0.000 0.280 427 G HA3 -0.331 3.630 3.960 0.001 0.000 0.280 427 G C -0.289 174.502 174.900 -0.182 0.000 1.067 427 G CA 0.161 45.138 45.100 -0.206 0.000 0.902 427 G HN 0.293 nan 8.290 nan 0.000 0.500 428 R N -0.350 120.054 120.500 -0.160 0.000 2.832 428 R HA 0.510 4.851 4.340 0.001 0.000 0.271 428 R C -0.486 175.776 176.300 -0.062 0.000 0.996 428 R CA -1.009 55.044 56.100 -0.079 0.000 0.977 428 R CB 0.973 31.266 30.300 -0.012 0.000 1.168 428 R HN 0.170 nan 8.270 nan 0.000 0.482 429 D N 1.179 121.571 120.400 -0.014 0.000 2.362 429 D HA 0.182 4.823 4.640 0.001 0.000 0.242 429 D C -0.358 175.967 176.300 0.040 0.000 1.132 429 D CA -0.034 53.956 54.000 -0.016 0.000 0.907 429 D CB 1.077 41.835 40.800 -0.071 0.000 1.195 429 D HN 0.184 nan 8.370 nan 0.000 0.429 430 V N -0.471 119.431 119.914 -0.021 0.000 2.555 430 V HA 0.487 4.607 4.120 0.001 0.000 0.302 430 V C -1.164 174.858 176.094 -0.121 0.000 1.038 430 V CA -0.921 61.403 62.300 0.040 0.000 0.887 430 V CB 1.212 33.095 31.823 0.099 0.000 0.991 430 V HN 0.320 nan 8.190 nan 0.000 0.434 431 Y N 5.156 125.470 120.300 0.023 0.000 2.575 431 Y HA 0.609 5.159 4.550 0.001 0.000 0.326 431 Y C -2.050 173.863 175.900 0.022 0.000 0.979 431 Y CA -2.343 55.761 58.100 0.007 0.000 1.286 431 Y CB 1.295 39.760 38.460 0.008 0.000 1.093 431 Y HN 0.587 nan 8.280 nan 0.000 0.501 432 P HA 0.204 nan 4.420 nan 0.000 0.282 432 P C -0.012 177.370 177.300 0.137 0.000 1.249 432 P CA -0.381 62.802 63.100 0.139 0.000 0.806 432 P CB 1.805 33.529 31.700 0.041 0.000 0.984 433 Q N 1.172 121.066 119.800 0.157 0.000 2.096 433 Q HA -0.068 4.273 4.340 0.001 0.000 0.197 433 Q C 2.103 178.177 176.000 0.124 0.000 0.964 433 Q CA 1.614 57.487 55.803 0.117 0.000 0.838 433 Q CB -0.381 28.412 28.738 0.092 0.000 0.906 433 Q HN 0.650 nan 8.270 nan 0.000 0.444 434 A N 1.438 124.374 122.820 0.192 0.000 1.849 434 A HA 0.008 4.328 4.320 0.001 0.000 0.216 434 A C 1.109 178.785 177.584 0.154 0.000 1.225 434 A CA 1.623 53.794 52.037 0.224 0.000 0.653 434 A CB -1.149 18.112 19.000 0.435 0.000 0.844 434 A HN 0.766 nan 8.150 nan 0.000 0.453 435 A N -1.799 121.079 122.820 0.095 0.000 2.611 435 A HA 0.085 4.406 4.320 0.001 0.000 0.281 435 A C -1.173 176.360 177.584 -0.086 0.000 1.396 435 A CA 0.173 52.157 52.037 -0.088 0.000 0.724 435 A CB -2.691 16.292 19.000 -0.029 0.000 1.126 435 A HN 0.674 nan 8.150 nan 0.000 0.384 436 P HA 0.240 nan 4.420 nan 0.000 0.273 436 P C 1.181 178.448 177.300 -0.056 0.000 1.258 436 P CA 0.293 63.364 63.100 -0.049 0.000 0.802 436 P CB 0.778 32.441 31.700 -0.062 0.000 1.040 437 V N -0.593 119.310 119.914 -0.019 0.000 2.685 437 V HA 0.100 4.220 4.120 0.001 0.000 0.244 437 V C 1.166 177.245 176.094 -0.025 0.000 1.054 437 V CA 1.075 63.364 62.300 -0.017 0.000 1.076 437 V CB -0.767 31.055 31.823 -0.001 0.000 0.725 437 V HN 0.767 nan 8.190 nan 0.000 0.467 438 A N 0.591 123.395 122.820 -0.027 0.000 2.586 438 A HA -0.057 4.264 4.320 0.001 0.000 0.231 438 A C 0.832 178.396 177.584 -0.033 0.000 1.055 438 A CA 0.911 52.931 52.037 -0.028 0.000 0.756 438 A CB -0.188 18.793 19.000 -0.031 0.000 0.988 438 A HN 0.643 nan 8.150 nan 0.000 0.509 439 D N 0.047 120.437 120.400 -0.016 0.000 2.249 439 D HA 0.036 4.677 4.640 0.001 0.000 0.205 439 D C -0.195 176.104 176.300 -0.001 0.000 0.962 439 D CA 0.953 54.949 54.000 -0.008 0.000 0.860 439 D CB 0.231 41.038 40.800 0.011 0.000 0.955 439 D HN 0.573 nan 8.370 nan 0.000 0.505 440 D N 0.653 121.053 120.400 -0.000 0.000 2.381 440 D HA 0.267 4.908 4.640 0.001 0.000 0.235 440 D C -1.004 175.277 176.300 -0.031 0.000 1.068 440 D CA -0.294 53.707 54.000 0.003 0.000 0.832 440 D CB 2.553 43.364 40.800 0.020 0.000 1.101 440 D HN -0.182 nan 8.370 nan 0.000 0.515 441 V N 3.841 123.732 119.914 -0.039 0.000 2.409 441 V HA 0.208 4.328 4.120 0.001 0.000 0.291 441 V C 0.007 176.065 176.094 -0.060 0.000 1.020 441 V CA -0.808 61.455 62.300 -0.061 0.000 0.848 441 V CB 1.925 33.675 31.823 -0.121 0.000 0.990 441 V HN 0.388 nan 8.190 nan 0.000 0.430 442 L N 6.276 127.469 121.223 -0.049 0.000 2.315 442 L HA 0.399 4.740 4.340 0.001 0.000 0.283 442 L C -0.124 176.715 176.870 -0.052 0.000 1.089 442 L CA 0.570 55.374 54.840 -0.060 0.000 0.833 442 L CB 1.234 43.257 42.059 -0.060 0.000 1.170 442 L HN 0.467 nan 8.230 nan 0.000 0.442 443 V N 5.136 124.969 119.914 -0.135 0.000 2.318 443 V HA 0.407 4.528 4.120 0.001 0.000 0.271 443 V C 0.207 176.188 176.094 -0.188 0.000 1.030 443 V CA -0.183 61.989 62.300 -0.213 0.000 0.844 443 V CB 1.383 32.873 31.823 -0.555 0.000 1.015 443 V HN 0.936 nan 8.190 nan 0.000 0.460 444 T N 2.930 117.437 114.554 -0.078 0.000 2.888 444 T HA 0.726 5.076 4.350 0.001 0.000 0.284 444 T C -0.946 173.754 174.700 0.001 0.000 1.017 444 T CA -0.608 61.463 62.100 -0.048 0.000 1.022 444 T CB 1.836 70.690 68.868 -0.023 0.000 1.013 444 T HN 0.262 nan 8.240 nan 0.000 0.465 445 F N 1.813 121.670 119.950 -0.156 0.000 2.540 445 F HA 0.447 4.974 4.527 0.001 0.000 0.317 445 F C 0.511 176.217 175.800 -0.157 0.000 1.104 445 F CA -0.795 57.108 58.000 -0.163 0.000 0.913 445 F CB 1.941 40.886 39.000 -0.092 0.000 1.170 445 F HN 0.863 nan 8.300 nan 0.000 0.450 446 Q N 4.383 123.523 119.800 -1.101 0.000 2.436 446 Q HA -0.309 4.031 4.340 0.001 0.000 0.264 446 Q C -0.255 175.479 176.000 -0.443 0.000 1.093 446 Q CA 1.604 56.950 55.803 -0.761 0.000 0.994 446 Q CB -2.113 26.360 28.738 -0.443 0.000 1.434 446 Q HN 0.954 nan 8.270 nan 0.000 0.520 447 H N -2.694 116.266 119.070 -0.184 0.000 2.931 447 H HA -0.145 4.411 4.556 0.001 0.000 0.290 447 H C -0.530 174.763 175.328 -0.058 0.000 1.264 447 H CA 0.931 56.914 56.048 -0.109 0.000 1.140 447 H CB -0.859 28.837 29.762 -0.111 0.000 1.343 447 H HN 0.339 nan 8.280 nan 0.000 0.403 448 Q N -0.117 119.690 119.800 0.010 0.000 2.356 448 Q HA 0.375 4.715 4.340 0.001 0.000 0.270 448 Q C -2.731 173.287 176.000 0.030 0.000 1.058 448 Q CA -2.220 53.606 55.803 0.039 0.000 0.802 448 Q CB 2.313 31.090 28.738 0.064 0.000 1.303 448 Q HN 0.054 nan 8.270 nan 0.000 0.444 449 P HA 0.196 nan 4.420 nan 0.000 0.267 449 P C -0.011 177.305 177.300 0.027 0.000 1.205 449 P CA 0.285 63.383 63.100 -0.003 0.000 0.765 449 P CB 0.583 32.273 31.700 -0.018 0.000 0.828 450 I N 1.472 122.039 120.570 -0.007 0.000 4.338 450 I HA 0.392 4.563 4.170 0.001 0.000 0.329 450 I C 0.515 176.742 176.117 0.184 0.000 1.378 450 I CA 0.347 61.696 61.300 0.081 0.000 1.170 450 I CB 0.531 38.563 38.000 0.054 0.000 1.206 450 I HN 0.565 nan 8.210 nan 0.000 0.432 451 G N 0.847 109.694 108.800 0.078 0.000 2.340 451 G HA2 0.359 4.320 3.960 0.001 0.000 0.300 451 G HA3 0.359 4.320 3.960 0.001 0.000 0.300 451 G C -2.396 172.582 174.900 0.130 0.000 1.488 451 G CA -0.700 44.608 45.100 0.347 0.000 0.878 451 G HN -0.125 nan 8.290 nan 0.000 0.618 452 L N 0.996 122.389 121.223 0.284 0.000 2.349 452 L HA 0.897 5.237 4.340 0.001 0.000 0.278 452 L C 0.254 177.272 176.870 0.247 0.000 0.996 452 L CA -0.395 54.543 54.840 0.162 0.000 0.825 452 L CB 1.295 43.432 42.059 0.129 0.000 1.243 452 L HN 1.397 nan 8.230 nan 0.000 0.412 453 A N 4.457 127.370 122.820 0.156 0.000 2.337 453 A HA 0.739 5.060 4.320 0.001 0.000 0.329 453 A C -0.656 176.987 177.584 0.099 0.000 1.146 453 A CA -0.802 51.359 52.037 0.208 0.000 0.800 453 A CB 0.916 20.031 19.000 0.191 0.000 1.220 453 A HN 0.513 nan 8.150 nan 0.000 0.472 454 K N 0.962 121.420 120.400 0.096 0.000 2.270 454 K HA 0.174 4.495 4.320 0.001 0.000 0.276 454 K C 1.011 177.609 176.600 -0.002 0.000 1.023 454 K CA -0.225 56.090 56.287 0.047 0.000 0.955 454 K CB 1.159 33.687 32.500 0.047 0.000 0.975 454 K HN 0.818 nan 8.250 nan 0.000 0.471 455 R N 2.594 123.078 120.500 -0.027 0.000 2.161 455 R HA 0.076 4.417 4.340 0.001 0.000 0.213 455 R C 0.182 176.439 176.300 -0.072 0.000 1.055 455 R CA 0.311 56.369 56.100 -0.070 0.000 0.996 455 R CB -0.125 30.127 30.300 -0.079 0.000 0.901 455 R HN 0.727 nan 8.270 nan 0.000 0.456 456 I N 1.471 122.017 120.570 -0.041 0.000 3.074 456 I HA -0.363 3.808 4.170 0.001 0.000 0.126 456 I C 0.983 177.075 176.117 -0.042 0.000 0.925 456 I CA 0.804 62.083 61.300 -0.035 0.000 2.772 456 I CB -1.840 36.138 38.000 -0.036 0.000 0.858 456 I HN 0.653 nan 8.210 nan 0.000 0.349 457 G N 3.877 112.660 108.800 -0.028 0.000 3.274 457 G HA2 -0.385 3.575 3.960 0.001 0.000 0.313 457 G HA3 -0.385 3.575 3.960 0.001 0.000 0.313 457 G C 0.483 175.363 174.900 -0.033 0.000 1.295 457 G CA 0.598 45.688 45.100 -0.017 0.000 1.004 457 G HN 0.770 nan 8.290 nan 0.000 0.614 458 S N 0.766 116.447 115.700 -0.031 0.000 2.855 458 S HA 0.355 4.825 4.470 0.001 0.000 0.249 458 S C 1.298 175.804 174.600 -0.157 0.000 1.033 458 S CA 0.791 58.966 58.200 -0.042 0.000 1.038 458 S CB 0.890 64.120 63.200 0.051 0.000 0.960 458 S HN 0.969 nan 8.310 nan 0.000 0.548 459 R N 0.358 120.697 120.500 -0.267 0.000 2.342 459 R HA 0.507 4.848 4.340 0.001 0.000 0.204 459 R C -0.465 175.552 176.300 -0.470 0.000 0.882 459 R CA -0.256 55.477 56.100 -0.612 0.000 1.041 459 R CB -0.331 29.594 30.300 -0.625 0.000 1.188 459 R HN 0.046 nan 8.270 nan 0.000 0.598 460 L N 2.603 123.677 121.223 -0.247 0.000 3.052 460 L HA -0.177 4.164 4.340 0.001 0.000 0.652 460 L C -0.660 176.190 176.870 -0.035 0.000 1.019 460 L CA 0.908 55.669 54.840 -0.131 0.000 1.317 460 L CB -0.544 41.418 42.059 -0.161 0.000 1.728 460 L HN 0.395 nan 8.230 nan 0.000 0.839 461 K N 2.387 122.792 120.400 0.008 0.000 2.350 461 K HA 0.139 4.459 4.320 0.001 0.000 0.279 461 K C 0.477 177.104 176.600 0.044 0.000 1.027 461 K CA -0.458 55.834 56.287 0.007 0.000 0.969 461 K CB 0.490 32.990 32.500 -0.001 0.000 0.954 461 K HN 0.530 nan 8.250 nan 0.000 0.474 462 N N 0.952 119.563 118.700 -0.148 0.000 2.452 462 N HA -0.052 4.688 4.740 0.001 0.000 0.266 462 N C -0.081 175.186 175.510 -0.406 0.000 1.175 462 N CA -0.031 52.692 53.050 -0.546 0.000 0.945 462 N CB 0.527 38.698 38.487 -0.527 0.000 1.063 462 N HN 0.498 nan 8.380 nan 0.000 0.472 463 S N 2.336 117.750 115.700 -0.477 0.000 2.846 463 S HA 0.056 4.526 4.470 0.001 0.000 0.249 463 S C -0.253 174.297 174.600 -0.084 0.000 1.028 463 S CA -0.588 57.558 58.200 -0.089 0.000 1.043 463 S CB -0.377 62.936 63.200 0.188 0.000 0.990 463 S HN 0.599 nan 8.310 nan 0.000 0.564 464 Y N 4.108 124.104 120.300 -0.506 0.000 2.496 464 Y HA 0.349 4.900 4.550 0.001 0.000 0.334 464 Y C -2.579 173.115 175.900 -0.343 0.000 1.080 464 Y CA -1.910 55.931 58.100 -0.432 0.000 1.355 464 Y CB 0.279 38.359 38.460 -0.632 0.000 1.193 464 Y HN 0.123 nan 8.280 nan 0.000 0.523 465 P HA -0.090 nan 4.420 nan 0.000 0.260 465 P C -0.230 176.862 177.300 -0.346 0.000 1.172 465 P CA 0.387 63.208 63.100 -0.465 0.000 0.760 465 P CB 0.589 31.972 31.700 -0.527 0.000 0.773 466 R N 3.583 123.975 120.500 -0.180 0.000 2.096 466 R HA -0.205 4.135 4.340 0.001 0.000 0.235 466 R C 1.191 177.442 176.300 -0.082 0.000 1.127 466 R CA 1.576 57.616 56.100 -0.101 0.000 0.968 466 R CB -1.098 29.162 30.300 -0.067 0.000 0.861 466 R HN 0.267 nan 8.270 nan 0.000 0.440 467 E N 1.287 121.430 120.200 -0.094 0.000 2.394 467 E HA -0.162 4.188 4.350 0.001 0.000 0.202 467 E C 1.512 178.072 176.600 -0.065 0.000 1.029 467 E CA 1.107 57.467 56.400 -0.066 0.000 0.855 467 E CB -0.347 29.322 29.700 -0.052 0.000 0.770 467 E HN 0.495 nan 8.360 nan 0.000 0.527 468 L N 0.149 121.304 121.223 -0.113 0.000 2.701 468 L HA 0.191 4.532 4.340 0.001 0.000 0.238 468 L C 0.462 177.453 176.870 0.202 0.000 1.106 468 L CA -0.259 54.551 54.840 -0.051 0.000 0.898 468 L CB 0.633 42.486 42.059 -0.344 0.000 1.188 468 L HN 0.081 nan 8.230 nan 0.000 0.508 469 V N 0.901 120.920 119.914 0.176 0.000 2.425 469 V HA 0.162 4.282 4.120 0.001 0.000 0.276 469 V C 0.563 176.743 176.094 0.142 0.000 1.017 469 V CA -0.792 61.666 62.300 0.263 0.000 1.062 469 V CB -0.011 31.897 31.823 0.143 0.000 0.997 469 V HN 0.194 nan 8.190 nan 0.000 0.476 470 R N 4.478 125.064 120.500 0.143 0.000 2.566 470 R HA 0.032 4.372 4.340 0.001 0.000 0.273 470 R C 0.818 177.139 176.300 0.035 0.000 0.981 470 R CA 0.372 56.510 56.100 0.063 0.000 1.091 470 R CB -0.046 30.271 30.300 0.029 0.000 0.924 470 R HN 0.839 nan 8.270 nan 0.000 0.411 471 D N 1.125 121.537 120.400 0.020 0.000 2.240 471 D HA 0.045 4.685 4.640 0.001 0.000 0.206 471 D C 1.166 177.469 176.300 0.005 0.000 0.963 471 D CA 1.211 55.217 54.000 0.011 0.000 0.863 471 D CB 0.565 41.369 40.800 0.007 0.000 0.973 471 D HN 0.648 nan 8.370 nan 0.000 0.501 472 G N 0.245 109.046 108.800 0.001 0.000 3.345 472 G HA2 0.274 4.235 3.960 0.001 0.000 0.202 472 G HA3 0.274 4.235 3.960 0.001 0.000 0.202 472 G C -0.112 174.786 174.900 -0.004 0.000 1.740 472 G CA -0.265 44.834 45.100 -0.003 0.000 0.806 472 G HN 0.040 nan 8.290 nan 0.000 0.718 473 K N -0.474 119.922 120.400 -0.008 0.000 2.350 473 K HA 0.809 5.130 4.320 0.001 0.000 0.241 473 K C -1.448 175.146 176.600 -0.011 0.000 0.994 473 K CA -0.675 55.607 56.287 -0.008 0.000 0.839 473 K CB 2.498 34.993 32.500 -0.010 0.000 1.244 473 K HN 0.332 nan 8.250 nan 0.000 0.443 474 L N 0.000 121.216 121.223 -0.011 0.000 2.949 474 L HA 0.000 4.340 4.340 0.001 0.000 0.249 474 L CA 0.000 54.834 54.840 -0.010 0.000 0.813 474 L CB 0.000 42.061 42.059 0.003 0.000 0.961 474 L HN 0.000 nan 8.230 nan 0.000 0.502