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 1ebf_1_B DATA FIRST_RESID 2 DATA SEQUENCE STKVVNVAVI GAGVVGSAFL DQLLAMKSTI TYNLVLLAEA ERSLISKDFS DATA SEQUENCE PLNVGSDWKA ALAASTTKTL PLDDLIAHLK TSPKPVILVD NTSSAYIAGF DATA SEQUENCE YTKFVENGIS IATPNKKAFS SDLATWKALF SNKPTNGFVY HEATVGAGLP DATA SEQUENCE IISFLREIIQ TGDEVEKIEG IFSGTLSYIF NEFSTSQAND VKFSDVVKVA DATA SEQUENCE KKLGYTEPDP RDDLNGLDVA RKVTIVGRIS GVEVESPTSF PVQSLIPKPL DATA SEQUENCE ESVKSADEFL EKLSDYDKDL TQLKKEAATE NKVLRFIGKV DVATKSVSVG DATA SEQUENCE IEKYDYSHPF ASLKGSDNVI SIKTKRYTNP VVIQGAGAGA AVTAAGVLGD DATA SEQUENCE VIKIAQRL 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.588 174.600 -0.020 0.000 1.055 2 S CA 0.000 58.191 58.200 -0.014 0.000 1.107 2 S CB 0.000 63.193 63.200 -0.012 0.000 0.593 3 T N 1.985 116.527 114.554 -0.019 0.000 2.765 3 T HA 0.086 4.436 4.350 0.000 0.000 0.275 3 T C 0.209 174.884 174.700 -0.041 0.000 1.007 3 T CA 0.710 62.794 62.100 -0.027 0.000 1.175 3 T CB -0.384 68.472 68.868 -0.021 0.000 0.993 3 T HN 0.631 nan 8.240 nan 0.000 0.510 4 K N 3.087 123.453 120.400 -0.056 0.000 2.298 4 K HA 0.382 4.702 4.320 0.000 0.000 0.280 4 K C -0.836 175.697 176.600 -0.113 0.000 1.032 4 K CA -0.520 55.720 56.287 -0.079 0.000 0.958 4 K CB 0.491 32.939 32.500 -0.087 0.000 0.978 4 K HN 0.341 nan 8.250 nan 0.000 0.472 5 V N 4.295 124.143 119.914 -0.110 0.000 2.604 5 V HA 0.447 4.567 4.120 0.000 0.000 0.305 5 V C -0.810 175.198 176.094 -0.144 0.000 1.043 5 V CA -0.954 61.272 62.300 -0.124 0.000 0.888 5 V CB 1.926 33.708 31.823 -0.067 0.000 0.995 5 V HN 0.539 nan 8.190 nan 0.000 0.429 6 V N 3.636 123.437 119.914 -0.189 0.000 2.638 6 V HA 0.413 4.533 4.120 0.000 0.000 0.306 6 V C -0.301 175.762 176.094 -0.052 0.000 1.052 6 V CA -0.808 61.404 62.300 -0.147 0.000 0.885 6 V CB 2.092 33.771 31.823 -0.239 0.000 0.999 6 V HN 0.941 nan 8.190 nan 0.000 0.424 7 N N 2.412 121.117 118.700 0.007 0.000 2.479 7 N HA 0.605 5.346 4.740 0.000 0.000 0.285 7 N C -1.025 174.547 175.510 0.104 0.000 1.075 7 N CA -0.489 52.609 53.050 0.080 0.000 0.967 7 N CB 2.093 40.651 38.487 0.119 0.000 1.137 7 N HN 0.409 nan 8.380 nan 0.000 0.472 8 V N 1.350 121.344 119.914 0.133 0.000 2.459 8 V HA 0.637 4.758 4.120 0.000 0.000 0.295 8 V C -0.233 175.936 176.094 0.126 0.000 1.029 8 V CA -0.802 61.583 62.300 0.141 0.000 0.874 8 V CB 1.312 33.245 31.823 0.183 0.000 0.985 8 V HN 0.751 nan 8.190 nan 0.000 0.438 9 A N 4.804 127.687 122.820 0.105 0.000 2.285 9 A HA 0.797 5.117 4.320 0.000 0.000 0.310 9 A C -0.731 176.880 177.584 0.046 0.000 1.266 9 A CA -0.472 51.621 52.037 0.093 0.000 0.832 9 A CB 1.085 20.157 19.000 0.121 0.000 1.163 9 A HN 0.648 nan 8.150 nan 0.000 0.499 10 V N 3.911 123.852 119.914 0.045 0.000 2.472 10 V HA 0.438 4.559 4.120 0.000 0.000 0.290 10 V C -0.105 175.987 176.094 -0.004 0.000 1.037 10 V CA -0.250 62.055 62.300 0.007 0.000 0.908 10 V CB 1.407 33.255 31.823 0.041 0.000 0.985 10 V HN 0.738 nan 8.190 nan 0.000 0.454 11 I N 3.876 124.428 120.570 -0.029 0.000 2.382 11 I HA 0.721 4.891 4.170 0.000 0.000 0.286 11 I C 0.453 176.565 176.117 -0.007 0.000 1.002 11 I CA -0.272 61.026 61.300 -0.003 0.000 1.135 11 I CB 1.602 39.605 38.000 0.005 0.000 1.288 11 I HN 0.893 nan 8.210 nan 0.000 0.448 12 G N 4.673 113.481 108.800 0.013 0.000 3.434 12 G HA2 0.155 4.115 3.960 0.000 0.000 0.686 12 G HA3 0.155 4.115 3.960 0.000 0.000 0.686 12 G C -0.522 174.390 174.900 0.020 0.000 1.099 12 G CA -0.321 44.792 45.100 0.023 0.000 0.931 12 G HN 0.965 nan 8.290 nan 0.000 0.520 13 A N 1.890 124.747 122.820 0.061 0.000 3.105 13 A HA 0.832 5.152 4.320 0.000 0.000 0.297 13 A C 1.207 178.886 177.584 0.157 0.000 0.977 13 A CA 0.990 53.084 52.037 0.095 0.000 1.020 13 A CB -0.033 19.062 19.000 0.158 0.000 1.098 13 A HN 2.057 nan 8.150 nan 0.000 0.497 14 G N -0.542 108.324 108.800 0.110 0.000 2.783 14 G HA2 0.358 4.318 3.960 0.000 0.000 0.182 14 G HA3 0.358 4.318 3.960 0.000 0.000 0.182 14 G C 1.118 176.089 174.900 0.117 0.000 1.516 14 G CA 0.485 45.649 45.100 0.107 0.000 1.079 14 G HN 0.230 nan 8.290 nan 0.000 0.573 15 V N -0.474 119.495 119.914 0.092 0.000 2.295 15 V HA -0.148 3.972 4.120 0.000 0.000 0.246 15 V C 2.951 179.102 176.094 0.096 0.000 1.049 15 V CA 1.690 64.044 62.300 0.090 0.000 1.024 15 V CB -0.549 31.316 31.823 0.070 0.000 0.648 15 V HN 0.320 nan 8.190 nan 0.000 0.447 16 V N 0.539 120.503 119.914 0.083 0.000 2.302 16 V HA -0.032 4.088 4.120 0.000 0.000 0.243 16 V C 2.678 178.837 176.094 0.109 0.000 1.036 16 V CA 1.905 64.255 62.300 0.083 0.000 1.020 16 V CB -1.364 30.491 31.823 0.054 0.000 0.657 16 V HN 0.573 nan 8.190 nan 0.000 0.453 17 G N -0.781 108.068 108.800 0.083 0.000 2.469 17 G HA2 -0.340 3.621 3.960 0.000 0.000 0.220 17 G HA3 -0.340 3.621 3.960 0.000 0.000 0.220 17 G C 1.939 176.900 174.900 0.101 0.000 1.136 17 G CA 1.476 46.629 45.100 0.087 0.000 0.759 17 G HN 0.475 nan 8.290 nan 0.000 0.562 18 S N 0.593 116.377 115.700 0.139 0.000 2.368 18 S HA 0.046 4.516 4.470 0.000 0.000 0.225 18 S C 2.702 177.434 174.600 0.220 0.000 1.030 18 S CA 1.641 59.995 58.200 0.257 0.000 0.999 18 S CB -0.412 63.014 63.200 0.376 0.000 0.844 18 S HN 0.569 nan 8.310 nan 0.000 0.459 19 A N 0.355 123.274 122.820 0.165 0.000 1.929 19 A HA 0.069 4.389 4.320 0.000 0.000 0.216 19 A C 1.925 179.554 177.584 0.075 0.000 1.176 19 A CA 1.317 53.427 52.037 0.122 0.000 0.628 19 A CB -0.954 18.108 19.000 0.105 0.000 0.816 19 A HN 0.664 nan 8.150 nan 0.000 0.444 20 F N 0.797 120.722 119.950 -0.043 0.000 2.102 20 F HA -0.161 4.366 4.527 0.000 0.000 0.298 20 F C 1.867 177.578 175.800 -0.147 0.000 1.105 20 F CA 1.781 59.728 58.000 -0.088 0.000 1.239 20 F CB -0.396 38.547 39.000 -0.095 0.000 0.991 20 F HN 0.143 nan 8.300 nan 0.000 0.474 21 L N 0.034 121.058 121.223 -0.331 0.000 2.012 21 L HA -0.254 4.086 4.340 0.000 0.000 0.210 21 L C 2.274 178.888 176.870 -0.427 0.000 1.073 21 L CA 1.617 56.099 54.840 -0.597 0.000 0.748 21 L CB -0.905 40.501 42.059 -1.089 0.000 0.891 21 L HN 0.112 nan 8.230 nan 0.000 0.431 22 D N -0.307 120.015 120.400 -0.130 0.000 2.092 22 D HA -0.205 4.436 4.640 0.000 0.000 0.193 22 D C 2.319 178.561 176.300 -0.098 0.000 0.994 22 D CA 1.212 55.238 54.000 0.043 0.000 0.828 22 D CB -0.234 40.654 40.800 0.148 0.000 0.963 22 D HN 0.375 nan 8.370 nan 0.000 0.450 23 Q N 0.051 119.750 119.800 -0.167 0.000 2.096 23 Q HA -0.107 4.233 4.340 0.000 0.000 0.204 23 Q C 2.395 178.210 176.000 -0.309 0.000 0.982 23 Q CA 0.549 56.231 55.803 -0.202 0.000 0.850 23 Q CB -0.106 28.521 28.738 -0.184 0.000 0.901 23 Q HN 0.306 nan 8.270 nan 0.000 0.422 24 L N 0.611 121.526 121.223 -0.514 0.000 2.017 24 L HA -0.190 4.150 4.340 0.000 0.000 0.208 24 L C 2.053 178.741 176.870 -0.305 0.000 1.073 24 L CA 1.369 55.885 54.840 -0.540 0.000 0.745 24 L CB -0.201 41.383 42.059 -0.792 0.000 0.894 24 L HN 0.321 nan 8.230 nan 0.000 0.432 25 L N -0.607 120.480 121.223 -0.228 0.000 2.376 25 L HA -0.099 4.241 4.340 0.000 0.000 0.219 25 L C 2.484 179.315 176.870 -0.066 0.000 1.133 25 L CA 0.660 55.437 54.840 -0.104 0.000 0.816 25 L CB -0.536 41.501 42.059 -0.037 0.000 0.933 25 L HN 0.281 nan 8.230 nan 0.000 0.449 26 A N -0.684 122.084 122.820 -0.087 0.000 2.063 26 A HA 0.071 4.392 4.320 0.000 0.000 0.211 26 A C 1.314 178.857 177.584 -0.068 0.000 1.177 26 A CA -0.228 51.775 52.037 -0.057 0.000 0.759 26 A CB -0.034 18.939 19.000 -0.045 0.000 0.857 26 A HN 0.279 nan 8.150 nan 0.000 0.468 27 M N 1.165 120.697 119.600 -0.112 0.000 2.251 27 M HA 0.108 4.589 4.480 0.000 0.000 0.343 27 M C -0.912 175.349 176.300 -0.065 0.000 1.245 27 M CA 0.779 56.011 55.300 -0.114 0.000 1.061 27 M CB 0.231 32.708 32.600 -0.205 0.000 1.723 27 M HN 0.147 nan 8.290 nan 0.000 0.449 28 K N 3.311 123.689 120.400 -0.036 0.000 2.358 28 K HA 0.504 4.824 4.320 0.000 0.000 0.260 28 K C -1.125 175.486 176.600 0.019 0.000 0.956 28 K CA -0.525 55.762 56.287 -0.001 0.000 0.834 28 K CB 1.954 34.453 32.500 -0.001 0.000 1.102 28 K HN 0.701 nan 8.250 nan 0.000 0.431 29 S N 0.191 115.926 115.700 0.058 0.000 2.638 29 S HA 0.243 4.714 4.470 0.000 0.000 0.274 29 S C 0.769 175.412 174.600 0.072 0.000 1.157 29 S CA -0.559 57.691 58.200 0.083 0.000 0.826 29 S CB 1.196 64.501 63.200 0.174 0.000 1.139 29 S HN 0.668 nan 8.310 nan 0.000 0.474 30 T N 0.420 115.007 114.554 0.055 0.000 3.055 30 T HA 0.304 4.654 4.350 0.000 0.000 0.265 30 T C 0.808 175.514 174.700 0.011 0.000 1.111 30 T CA 0.570 62.686 62.100 0.027 0.000 1.118 30 T CB -0.526 68.350 68.868 0.014 0.000 0.909 30 T HN 0.473 nan 8.240 nan 0.000 0.501 31 I N 1.778 122.363 120.570 0.024 0.000 2.437 31 I HA 0.287 4.458 4.170 0.000 0.000 0.298 31 I C -0.221 175.858 176.117 -0.063 0.000 0.984 31 I CA -0.787 60.460 61.300 -0.087 0.000 1.214 31 I CB 1.824 39.693 38.000 -0.219 0.000 1.365 31 I HN -0.016 nan 8.210 nan 0.000 0.469 32 T N 5.180 119.651 114.554 -0.139 0.000 2.749 32 T HA 0.401 4.752 4.350 0.000 0.000 0.287 32 T C -0.855 173.759 174.700 -0.143 0.000 0.970 32 T CA -0.246 61.831 62.100 -0.038 0.000 0.980 32 T CB 0.199 69.057 68.868 -0.017 0.000 0.924 32 T HN 0.140 nan 8.240 nan 0.000 0.456 33 Y N 2.988 123.281 120.300 -0.013 0.000 2.385 33 Y HA 0.355 4.905 4.550 0.000 0.000 0.341 33 Y C 0.712 176.610 175.900 -0.003 0.000 0.965 33 Y CA -1.199 56.895 58.100 -0.009 0.000 1.180 33 Y CB 0.565 39.009 38.460 -0.026 0.000 1.139 33 Y HN 0.460 nan 8.280 nan 0.000 0.502 34 N N 3.646 122.415 118.700 0.115 0.000 2.422 34 N HA 0.174 4.914 4.740 0.000 0.000 0.266 34 N C -1.062 174.509 175.510 0.102 0.000 1.007 34 N CA -0.641 52.466 53.050 0.094 0.000 0.941 34 N CB 1.975 40.510 38.487 0.081 0.000 1.115 34 N HN 0.516 nan 8.380 nan 0.000 0.492 35 L N 4.066 125.334 121.223 0.075 0.000 2.385 35 L HA 0.100 4.441 4.340 0.000 0.000 0.281 35 L C 0.939 177.847 176.870 0.064 0.000 1.106 35 L CA 0.128 55.004 54.840 0.060 0.000 0.856 35 L CB 0.510 42.577 42.059 0.012 0.000 1.186 35 L HN 0.445 nan 8.230 nan 0.000 0.453 36 V N 3.398 123.363 119.914 0.084 0.000 3.605 36 V HA 0.441 4.561 4.120 0.000 0.000 0.284 36 V C 0.116 176.229 176.094 0.031 0.000 1.386 36 V CA -0.049 62.289 62.300 0.064 0.000 1.053 36 V CB -0.102 31.810 31.823 0.148 0.000 0.857 36 V HN 0.587 nan 8.190 nan 0.000 0.436 37 L N 1.075 122.331 121.223 0.055 0.000 2.643 37 L HA 0.683 5.024 4.340 0.000 0.000 0.257 37 L C -2.209 174.686 176.870 0.043 0.000 0.922 37 L CA -0.702 54.167 54.840 0.049 0.000 0.909 37 L CB 2.305 44.419 42.059 0.092 0.000 1.424 37 L HN 0.192 nan 8.230 nan 0.000 0.422 38 L N 4.802 126.043 121.223 0.030 0.000 2.439 38 L HA 0.938 5.278 4.340 0.000 0.000 0.270 38 L C -1.295 175.595 176.870 0.034 0.000 0.972 38 L CA -0.099 54.754 54.840 0.022 0.000 0.836 38 L CB 1.755 43.818 42.059 0.007 0.000 1.255 38 L HN 0.633 nan 8.230 nan 0.000 0.404 39 A N 3.775 126.615 122.820 0.034 0.000 2.330 39 A HA 0.824 5.144 4.320 0.000 0.000 0.313 39 A C -1.073 176.540 177.584 0.048 0.000 1.124 39 A CA -0.421 51.640 52.037 0.041 0.000 0.774 39 A CB 1.258 20.282 19.000 0.040 0.000 1.198 39 A HN 0.657 nan 8.150 nan 0.000 0.465 40 E N 2.065 122.300 120.200 0.059 0.000 2.302 40 E HA 0.609 4.960 4.350 0.000 0.000 0.263 40 E C 0.223 176.857 176.600 0.057 0.000 0.897 40 E CA 0.547 56.987 56.400 0.067 0.000 0.809 40 E CB 1.062 30.822 29.700 0.099 0.000 1.270 40 E HN 2.224 nan 8.360 nan 0.000 0.410 41 A N 4.117 126.966 122.820 0.048 0.000 5.585 41 A HA -0.293 4.027 4.320 0.000 0.000 0.295 41 A C 1.266 178.869 177.584 0.031 0.000 1.985 41 A CA 1.272 53.332 52.037 0.037 0.000 0.716 41 A CB -1.361 17.660 19.000 0.036 0.000 1.237 41 A HN 0.836 nan 8.150 nan 0.000 0.371 42 E N 1.453 121.667 120.200 0.024 0.000 2.511 42 E HA -0.012 4.338 4.350 0.000 0.000 0.196 42 E C 0.657 177.269 176.600 0.019 0.000 1.066 42 E CA 0.965 57.375 56.400 0.018 0.000 0.871 42 E CB -0.090 29.616 29.700 0.011 0.000 0.863 42 E HN 0.583 nan 8.360 nan 0.000 0.520 43 R N 0.345 120.862 120.500 0.029 0.000 2.514 43 R HA 0.509 4.850 4.340 0.000 0.000 0.301 43 R C -0.794 175.527 176.300 0.036 0.000 0.962 43 R CA -0.398 55.720 56.100 0.031 0.000 0.882 43 R CB 2.019 32.342 30.300 0.039 0.000 1.143 43 R HN -0.081 nan 8.270 nan 0.000 0.452 44 S N 2.126 117.841 115.700 0.025 0.000 2.569 44 S HA 0.517 4.987 4.470 0.000 0.000 0.280 44 S C -1.093 173.518 174.600 0.017 0.000 1.111 44 S CA -0.759 57.455 58.200 0.023 0.000 0.887 44 S CB 1.549 64.752 63.200 0.006 0.000 1.095 44 S HN 0.332 nan 8.310 nan 0.000 0.476 45 L N 2.760 123.997 121.223 0.023 0.000 2.305 45 L HA 0.611 4.951 4.340 0.000 0.000 0.284 45 L C -1.145 175.719 176.870 -0.009 0.000 1.013 45 L CA -0.345 54.505 54.840 0.016 0.000 0.819 45 L CB 0.998 43.085 42.059 0.046 0.000 1.227 45 L HN 0.509 nan 8.230 nan 0.000 0.417 46 I N 2.210 122.754 120.570 -0.043 0.000 2.439 46 I HA 0.166 4.336 4.170 0.000 0.000 0.285 46 I C 0.101 176.152 176.117 -0.110 0.000 1.021 46 I CA -0.272 60.975 61.300 -0.088 0.000 1.091 46 I CB 2.144 40.046 38.000 -0.162 0.000 1.242 46 I HN 0.455 nan 8.210 nan 0.000 0.439 47 S N 5.871 121.496 115.700 -0.125 0.000 2.485 47 S HA 0.153 4.623 4.470 0.000 0.000 0.312 47 S C 1.241 175.677 174.600 -0.273 0.000 1.102 47 S CA -0.534 57.578 58.200 -0.146 0.000 1.066 47 S CB 0.045 63.180 63.200 -0.107 0.000 1.102 47 S HN 0.414 nan 8.310 nan 0.000 0.519 48 K N 2.768 123.059 120.400 -0.182 0.000 2.280 48 K HA -0.086 4.234 4.320 0.000 0.000 0.202 48 K C 1.387 177.930 176.600 -0.097 0.000 1.047 48 K CA 0.805 57.005 56.287 -0.145 0.000 0.942 48 K CB -0.132 32.327 32.500 -0.070 0.000 0.739 48 K HN 0.673 nan 8.250 nan 0.000 0.457 49 D N -0.556 119.801 120.400 -0.073 0.000 2.305 49 D HA -0.086 4.554 4.640 0.000 0.000 0.206 49 D C 0.081 176.473 176.300 0.153 0.000 0.974 49 D CA 0.085 54.112 54.000 0.046 0.000 0.871 49 D CB 0.274 41.092 40.800 0.030 0.000 0.947 49 D HN 0.117 nan 8.370 nan 0.000 0.516 50 F N 0.209 120.193 119.950 0.057 0.000 2.840 50 F HA -0.280 4.247 4.527 0.000 0.000 0.310 50 F C 0.747 176.563 175.800 0.027 0.000 0.688 50 F CA 0.473 58.495 58.000 0.036 0.000 1.286 50 F CB -1.990 37.013 39.000 0.004 0.000 1.612 50 F HN -0.043 nan 8.300 nan 0.000 0.335 51 S N -0.526 115.243 115.700 0.116 0.000 2.652 51 S HA 0.685 5.155 4.470 0.000 0.000 0.270 51 S C -2.476 172.162 174.600 0.062 0.000 1.243 51 S CA -1.506 56.745 58.200 0.085 0.000 0.999 51 S CB 1.582 64.817 63.200 0.057 0.000 0.973 51 S HN -0.108 nan 8.310 nan 0.000 0.544 52 P HA 0.128 nan 4.420 nan 0.000 0.264 52 P C -0.519 176.803 177.300 0.037 0.000 1.193 52 P CA -0.084 63.045 63.100 0.049 0.000 0.763 52 P CB 0.116 31.844 31.700 0.046 0.000 0.810 53 L N 3.980 125.223 121.223 0.033 0.000 2.578 53 L HA -0.035 4.305 4.340 0.000 0.000 0.279 53 L C 1.123 178.017 176.870 0.039 0.000 1.227 53 L CA 0.374 55.231 54.840 0.030 0.000 0.900 53 L CB -0.087 41.993 42.059 0.035 0.000 1.144 53 L HN 0.372 nan 8.230 nan 0.000 0.496 54 N N 3.929 122.650 118.700 0.034 0.000 2.971 54 N HA 0.011 4.751 4.740 0.000 0.000 0.294 54 N C 0.816 176.354 175.510 0.047 0.000 1.210 54 N CA -0.006 53.065 53.050 0.036 0.000 1.157 54 N CB 0.583 39.085 38.487 0.025 0.000 1.450 54 N HN 0.564 nan 8.380 nan 0.000 0.527 55 V N -1.626 118.328 119.914 0.067 0.000 3.620 55 V HA 0.263 4.383 4.120 0.000 0.000 0.286 55 V C 1.443 177.583 176.094 0.076 0.000 1.288 55 V CA 0.249 62.605 62.300 0.094 0.000 1.178 55 V CB -1.013 30.909 31.823 0.166 0.000 0.986 55 V HN 0.492 nan 8.190 nan 0.000 0.431 56 G N 1.858 110.690 108.800 0.053 0.000 2.690 56 G HA2 -0.412 3.548 3.960 0.000 0.000 0.334 56 G HA3 -0.412 3.548 3.960 0.000 0.000 0.334 56 G C 1.043 175.969 174.900 0.044 0.000 1.250 56 G CA 1.278 46.400 45.100 0.038 0.000 0.994 56 G HN 0.743 nan 8.290 nan 0.000 0.549 57 S N 0.112 115.829 115.700 0.028 0.000 2.444 57 S HA 0.193 4.663 4.470 0.000 0.000 0.223 57 S C 0.708 175.318 174.600 0.016 0.000 1.054 57 S CA 0.845 59.059 58.200 0.023 0.000 0.947 57 S CB 0.176 63.376 63.200 0.000 0.000 0.850 57 S HN 0.766 nan 8.310 nan 0.000 0.527 58 D N 1.738 122.123 120.400 -0.025 0.000 2.456 58 D HA 0.077 4.718 4.640 0.000 0.000 0.219 58 D C 0.832 177.074 176.300 -0.097 0.000 1.126 58 D CA -0.722 53.207 54.000 -0.119 0.000 0.890 58 D CB 0.201 40.919 40.800 -0.136 0.000 1.025 58 D HN 0.478 nan 8.370 nan 0.000 0.511 59 W N 4.129 125.427 121.300 -0.003 0.000 2.519 59 W HA -0.012 4.648 4.660 0.000 0.000 0.266 59 W C 0.852 177.375 176.519 0.006 0.000 1.253 59 W CA -0.118 57.228 57.345 0.002 0.000 1.274 59 W CB -0.257 29.205 29.460 0.002 0.000 1.114 59 W HN 0.238 nan 8.180 nan 0.000 0.596 60 K N 1.153 121.065 120.400 -0.813 0.000 2.025 60 K HA -0.087 4.233 4.320 0.000 0.000 0.207 60 K C 2.640 179.110 176.600 -0.217 0.000 1.049 60 K CA 1.841 57.729 56.287 -0.665 0.000 0.933 60 K CB -0.499 31.493 32.500 -0.848 0.000 0.714 60 K HN 0.101 nan 8.250 nan 0.000 0.438 61 A N 1.496 124.200 122.820 -0.194 0.000 1.908 61 A HA -0.159 4.161 4.320 0.000 0.000 0.218 61 A C 2.337 179.903 177.584 -0.029 0.000 1.181 61 A CA 2.007 53.987 52.037 -0.094 0.000 0.627 61 A CB -0.650 18.297 19.000 -0.087 0.000 0.818 61 A HN 0.367 nan 8.150 nan 0.000 0.445 62 A N -0.744 122.078 122.820 0.005 0.000 1.930 62 A HA 0.035 4.356 4.320 0.000 0.000 0.217 62 A C 2.109 179.734 177.584 0.069 0.000 1.175 62 A CA 1.636 53.700 52.037 0.046 0.000 0.627 62 A CB -0.548 18.499 19.000 0.079 0.000 0.815 62 A HN 0.629 nan 8.150 nan 0.000 0.443 63 L N -0.074 121.217 121.223 0.114 0.000 2.017 63 L HA -0.038 4.302 4.340 0.000 0.000 0.208 63 L C 2.633 179.546 176.870 0.072 0.000 1.073 63 L CA 2.259 57.177 54.840 0.130 0.000 0.745 63 L CB -0.868 41.332 42.059 0.235 0.000 0.894 63 L HN 0.324 nan 8.230 nan 0.000 0.432 64 A N -0.844 122.001 122.820 0.042 0.000 2.070 64 A HA -0.017 4.303 4.320 0.000 0.000 0.220 64 A C 2.313 179.905 177.584 0.013 0.000 1.159 64 A CA 1.538 53.586 52.037 0.019 0.000 0.656 64 A CB -0.913 18.082 19.000 -0.008 0.000 0.800 64 A HN 0.568 nan 8.150 nan 0.000 0.453 65 A N -0.898 121.930 122.820 0.013 0.000 2.081 65 A HA 0.288 4.608 4.320 0.000 0.000 0.214 65 A C 1.538 179.129 177.584 0.012 0.000 1.158 65 A CA 0.798 52.840 52.037 0.008 0.000 0.724 65 A CB -0.548 18.455 19.000 0.005 0.000 0.826 65 A HN 0.465 nan 8.150 nan 0.000 0.463 66 S N -0.238 115.474 115.700 0.020 0.000 2.559 66 S HA 0.178 4.649 4.470 0.000 0.000 0.282 66 S C 0.747 175.353 174.600 0.009 0.000 1.336 66 S CA 0.829 59.039 58.200 0.016 0.000 1.037 66 S CB 0.343 63.557 63.200 0.023 0.000 0.853 66 S HN 0.389 nan 8.310 nan 0.000 0.523 67 T N 3.143 117.698 114.554 0.003 0.000 3.231 67 T HA 0.194 4.544 4.350 0.000 0.000 0.292 67 T C -0.368 174.328 174.700 -0.006 0.000 1.001 67 T CA -0.256 61.844 62.100 -0.001 0.000 0.920 67 T CB 0.276 69.142 68.868 -0.003 0.000 1.140 67 T HN 0.592 nan 8.240 nan 0.000 0.525 68 T N 4.119 118.669 114.554 -0.007 0.000 2.733 68 T HA 0.304 4.655 4.350 0.000 0.000 0.294 68 T C 0.369 175.062 174.700 -0.013 0.000 0.956 68 T CA -0.796 61.293 62.100 -0.017 0.000 0.987 68 T CB 0.800 69.652 68.868 -0.027 0.000 0.920 68 T HN 0.402 nan 8.240 nan 0.000 0.470 69 K N 1.907 122.298 120.400 -0.015 0.000 2.219 69 K HA 0.346 4.667 4.320 0.000 0.000 0.258 69 K C -0.168 176.425 176.600 -0.012 0.000 1.008 69 K CA -0.672 55.609 56.287 -0.009 0.000 0.928 69 K CB 0.133 32.628 32.500 -0.009 0.000 0.983 69 K HN 0.270 nan 8.250 nan 0.000 0.484 70 T N 2.572 117.125 114.554 -0.001 0.000 2.814 70 T HA 0.140 4.490 4.350 0.000 0.000 0.297 70 T C 0.013 174.712 174.700 -0.002 0.000 0.956 70 T CA -0.594 61.508 62.100 0.003 0.000 1.123 70 T CB 0.152 69.031 68.868 0.018 0.000 0.902 70 T HN 0.229 nan 8.240 nan 0.000 0.528 71 L N 6.095 127.312 121.223 -0.010 0.000 2.416 71 L HA 0.318 4.658 4.340 0.000 0.000 0.272 71 L C -1.716 175.148 176.870 -0.011 0.000 1.161 71 L CA -1.745 53.086 54.840 -0.015 0.000 0.845 71 L CB -0.615 41.429 42.059 -0.026 0.000 1.119 71 L HN 0.433 nan 8.230 nan 0.000 0.464 72 P HA 0.060 nan 4.420 nan 0.000 0.269 72 P C 1.004 178.244 177.300 -0.099 0.000 1.217 72 P CA -0.210 62.878 63.100 -0.020 0.000 0.783 72 P CB 0.508 32.211 31.700 0.005 0.000 0.898 73 L N 0.531 121.599 121.223 -0.259 0.000 2.131 73 L HA -0.166 4.174 4.340 0.000 0.000 0.210 73 L C 1.579 178.234 176.870 -0.360 0.000 1.092 73 L CA 1.448 56.003 54.840 -0.476 0.000 0.759 73 L CB -0.603 40.670 42.059 -1.309 0.000 0.903 73 L HN 0.413 nan 8.230 nan 0.000 0.435 74 D N 0.164 120.448 120.400 -0.193 0.000 2.117 74 D HA -0.162 4.479 4.640 0.000 0.000 0.198 74 D C 1.679 177.941 176.300 -0.062 0.000 0.982 74 D CA 1.208 55.169 54.000 -0.066 0.000 0.828 74 D CB -0.092 40.731 40.800 0.038 0.000 0.967 74 D HN 0.346 nan 8.370 nan 0.000 0.464 75 D N 0.409 120.785 120.400 -0.040 0.000 2.224 75 D HA -0.088 4.552 4.640 0.000 0.000 0.205 75 D C 2.219 178.531 176.300 0.020 0.000 0.965 75 D CA 0.121 54.118 54.000 -0.005 0.000 0.852 75 D CB -0.114 40.684 40.800 -0.003 0.000 0.947 75 D HN 0.162 nan 8.370 nan 0.000 0.494 76 L N 0.872 122.089 121.223 -0.010 0.000 2.027 76 L HA -0.084 4.256 4.340 0.000 0.000 0.206 76 L C 2.133 179.040 176.870 0.062 0.000 1.074 76 L CA 1.323 56.201 54.840 0.064 0.000 0.745 76 L CB -0.455 41.646 42.059 0.070 0.000 0.898 76 L HN -0.083 nan 8.230 nan 0.000 0.433 77 I N -0.181 120.312 120.570 -0.127 0.000 2.127 77 I HA -0.347 3.823 4.170 0.000 0.000 0.241 77 I C 2.660 178.748 176.117 -0.048 0.000 1.075 77 I CA 1.336 62.514 61.300 -0.205 0.000 1.334 77 I CB -0.759 36.997 38.000 -0.407 0.000 1.040 77 I HN 0.414 nan 8.210 nan 0.000 0.405 78 A N 0.351 123.161 122.820 -0.017 0.000 1.873 78 A HA -0.361 3.959 4.320 0.000 0.000 0.218 78 A C 2.211 179.848 177.584 0.088 0.000 1.193 78 A CA 2.518 54.570 52.037 0.025 0.000 0.629 78 A CB -1.213 17.807 19.000 0.035 0.000 0.826 78 A HN 0.591 nan 8.150 nan 0.000 0.447 79 H N -0.611 118.492 119.070 0.055 0.000 2.319 79 H HA -0.134 4.422 4.556 0.000 0.000 0.297 79 H C 1.653 177.121 175.328 0.235 0.000 1.097 79 H CA 2.091 58.219 56.048 0.133 0.000 1.285 79 H CB -0.311 29.514 29.762 0.105 0.000 1.368 79 H HN 0.273 nan 8.280 nan 0.000 0.495 80 L N 0.961 122.206 121.223 0.037 0.000 2.131 80 L HA -0.095 4.245 4.340 0.000 0.000 0.210 80 L C 2.179 179.003 176.870 -0.076 0.000 1.092 80 L CA 1.629 56.474 54.840 0.009 0.000 0.759 80 L CB -0.688 41.451 42.059 0.133 0.000 0.903 80 L HN 0.311 nan 8.230 nan 0.000 0.435 81 K N -1.431 118.936 120.400 -0.055 0.000 2.280 81 K HA -0.100 4.220 4.320 0.000 0.000 0.202 81 K C 1.765 178.281 176.600 -0.140 0.000 1.047 81 K CA 1.314 57.552 56.287 -0.082 0.000 0.942 81 K CB -0.232 32.236 32.500 -0.054 0.000 0.739 81 K HN 0.266 nan 8.250 nan 0.000 0.457 82 T N 0.732 115.188 114.554 -0.163 0.000 3.055 82 T HA -0.044 4.306 4.350 0.000 0.000 0.265 82 T C 0.827 175.209 174.700 -0.531 0.000 1.111 82 T CA 0.234 62.209 62.100 -0.208 0.000 1.118 82 T CB 0.043 68.894 68.868 -0.029 0.000 0.909 82 T HN 0.160 nan 8.240 nan 0.000 0.501 83 S N 1.818 116.983 115.700 -0.891 0.000 2.552 83 S HA 0.042 4.513 4.470 0.000 0.000 0.289 83 S C -1.597 172.612 174.600 -0.651 0.000 1.304 83 S CA -1.167 56.201 58.200 -1.387 0.000 1.063 83 S CB 0.851 63.453 63.200 -0.997 0.000 0.848 83 S HN 0.065 nan 8.310 nan 0.000 0.499 84 P HA 0.114 nan 4.420 nan 0.000 0.233 84 P C -0.308 176.882 177.300 -0.184 0.000 1.167 84 P CA 0.932 63.879 63.100 -0.255 0.000 0.770 84 P CB 0.208 31.808 31.700 -0.165 0.000 0.837 85 K N -1.145 119.133 120.400 -0.203 0.000 2.482 85 K HA 0.441 4.762 4.320 0.000 0.000 0.257 85 K C -2.921 173.609 176.600 -0.117 0.000 0.969 85 K CA -2.643 53.569 56.287 -0.126 0.000 0.842 85 K CB 0.656 33.104 32.500 -0.088 0.000 1.359 85 K HN -0.305 nan 8.250 nan 0.000 0.441 86 P HA 0.002 nan 4.420 nan 0.000 0.265 86 P C -0.675 176.606 177.300 -0.031 0.000 1.187 86 P CA -0.085 62.986 63.100 -0.048 0.000 0.766 86 P CB 0.412 32.097 31.700 -0.024 0.000 0.820 87 V N 4.942 124.850 119.914 -0.010 0.000 2.555 87 V HA 0.433 4.553 4.120 0.000 0.000 0.302 87 V C 0.269 176.390 176.094 0.044 0.000 1.038 87 V CA -0.481 61.834 62.300 0.026 0.000 0.887 87 V CB 1.690 33.536 31.823 0.038 0.000 0.991 87 V HN 0.354 nan 8.190 nan 0.000 0.434 88 I N 5.030 125.632 120.570 0.054 0.000 2.410 88 I HA 0.372 4.542 4.170 0.000 0.000 0.286 88 I C -0.744 175.381 176.117 0.012 0.000 1.009 88 I CA -0.653 60.670 61.300 0.040 0.000 1.111 88 I CB 1.774 39.810 38.000 0.060 0.000 1.262 88 I HN 0.418 nan 8.210 nan 0.000 0.443 89 L N 9.123 130.310 121.223 -0.060 0.000 2.305 89 L HA 0.491 4.831 4.340 0.000 0.000 0.281 89 L C -0.217 176.544 176.870 -0.181 0.000 1.085 89 L CA -0.173 54.580 54.840 -0.144 0.000 0.813 89 L CB 1.389 43.234 42.059 -0.356 0.000 1.157 89 L HN 0.442 nan 8.230 nan 0.000 0.436 90 V N 1.823 121.636 119.914 -0.168 0.000 2.326 90 V HA 0.477 4.598 4.120 0.000 0.000 0.281 90 V C -0.638 175.318 176.094 -0.229 0.000 1.015 90 V CA -0.668 61.480 62.300 -0.253 0.000 0.823 90 V CB 1.116 32.686 31.823 -0.421 0.000 1.009 90 V HN 0.816 nan 8.190 nan 0.000 0.436 91 D N 4.322 124.614 120.400 -0.179 0.000 2.441 91 D HA 0.268 4.909 4.640 0.000 0.000 0.221 91 D C 0.468 176.730 176.300 -0.063 0.000 1.156 91 D CA -0.067 53.886 54.000 -0.078 0.000 0.896 91 D CB 0.681 41.505 40.800 0.039 0.000 1.028 91 D HN 0.594 nan 8.370 nan 0.000 0.509 92 N N 2.416 121.063 118.700 -0.088 0.000 2.322 92 N HA 0.026 4.767 4.740 0.000 0.000 0.216 92 N C 0.309 175.821 175.510 0.002 0.000 1.144 92 N CA 0.058 53.066 53.050 -0.070 0.000 0.830 92 N CB 0.517 38.944 38.487 -0.101 0.000 1.034 92 N HN 0.559 nan 8.380 nan 0.000 0.484 93 T N -3.611 110.961 114.554 0.031 0.000 2.893 93 T HA 0.321 4.671 4.350 0.000 0.000 0.279 93 T C 0.725 175.466 174.700 0.069 0.000 0.991 93 T CA -0.576 61.556 62.100 0.054 0.000 0.950 93 T CB 1.809 70.717 68.868 0.067 0.000 1.223 93 T HN -0.146 nan 8.240 nan 0.000 0.585 94 S N -0.131 115.610 115.700 0.069 0.000 2.843 94 S HA 0.329 4.800 4.470 0.000 0.000 0.249 94 S C 0.268 174.908 174.600 0.066 0.000 1.047 94 S CA -0.572 57.671 58.200 0.071 0.000 1.042 94 S CB -0.539 62.699 63.200 0.062 0.000 0.936 94 S HN 0.835 nan 8.310 nan 0.000 0.531 95 S N 1.192 116.937 115.700 0.074 0.000 2.481 95 S HA 0.542 5.012 4.470 0.000 0.000 0.276 95 S C 1.274 175.912 174.600 0.063 0.000 1.247 95 S CA 0.091 58.345 58.200 0.090 0.000 1.053 95 S CB 0.915 64.196 63.200 0.134 0.000 0.925 95 S HN 0.579 nan 8.310 nan 0.000 0.491 96 A N 5.212 128.074 122.820 0.071 0.000 2.067 96 A HA 0.059 4.379 4.320 0.000 0.000 0.217 96 A C 1.619 179.251 177.584 0.080 0.000 1.156 96 A CA 0.739 52.794 52.037 0.030 0.000 0.683 96 A CB -0.674 18.348 19.000 0.036 0.000 0.808 96 A HN 0.984 nan 8.150 nan 0.000 0.455 97 Y N 0.716 121.039 120.300 0.038 0.000 2.133 97 Y HA -0.133 4.417 4.550 0.000 0.000 0.287 97 Y C 1.949 177.981 175.900 0.220 0.000 1.134 97 Y CA 1.652 59.823 58.100 0.118 0.000 1.133 97 Y CB -0.262 38.268 38.460 0.117 0.000 0.987 97 Y HN 0.259 nan 8.280 nan 0.000 0.502 98 I N 0.062 120.720 120.570 0.147 0.000 2.179 98 I HA -0.331 3.840 4.170 0.000 0.000 0.242 98 I C 2.684 178.823 176.117 0.038 0.000 1.088 98 I CA 1.255 62.623 61.300 0.114 0.000 1.357 98 I CB -0.985 37.100 38.000 0.141 0.000 1.051 98 I HN 0.302 nan 8.210 nan 0.000 0.409 99 A N 1.233 123.913 122.820 -0.234 0.000 1.958 99 A HA -0.242 4.078 4.320 0.000 0.000 0.221 99 A C 2.387 179.671 177.584 -0.500 0.000 1.178 99 A CA 2.206 53.762 52.037 -0.802 0.000 0.642 99 A CB -1.588 17.082 19.000 -0.550 0.000 0.816 99 A HN 0.518 nan 8.150 nan 0.000 0.453 100 G N -2.447 106.232 108.800 -0.202 0.000 2.498 100 G HA2 -0.068 3.892 3.960 0.000 0.000 0.219 100 G HA3 -0.068 3.892 3.960 0.000 0.000 0.219 100 G C 1.021 175.796 174.900 -0.208 0.000 1.119 100 G CA 0.887 45.865 45.100 -0.202 0.000 0.766 100 G HN 0.482 nan 8.290 nan 0.000 0.552 101 F N -1.089 118.830 119.950 -0.053 0.000 2.727 101 F HA 0.338 4.865 4.527 0.000 0.000 0.302 101 F C 1.975 178.008 175.800 0.387 0.000 1.097 101 F CA -0.823 57.241 58.000 0.105 0.000 1.330 101 F CB -0.019 39.061 39.000 0.134 0.000 1.084 101 F HN 0.144 nan 8.300 nan 0.000 0.578 102 Y N 0.200 120.650 120.300 0.250 0.000 2.069 102 Y HA -0.372 4.179 4.550 0.000 0.000 0.278 102 Y C 2.586 178.575 175.900 0.148 0.000 1.175 102 Y CA 1.424 59.628 58.100 0.173 0.000 1.134 102 Y CB -0.796 37.629 38.460 -0.058 0.000 0.965 102 Y HN -0.059 nan 8.280 nan 0.000 0.498 103 T N 0.066 114.741 114.554 0.203 0.000 2.665 103 T HA -0.243 4.107 4.350 0.000 0.000 0.268 103 T C 1.680 176.426 174.700 0.077 0.000 1.035 103 T CA 1.780 63.928 62.100 0.080 0.000 1.151 103 T CB -0.274 68.595 68.868 0.003 0.000 0.862 103 T HN 0.298 nan 8.240 nan 0.000 0.438 104 K N -0.060 120.390 120.400 0.083 0.000 2.032 104 K HA -0.065 4.255 4.320 0.000 0.000 0.209 104 K C 2.026 178.632 176.600 0.009 0.000 1.048 104 K CA 1.446 57.741 56.287 0.014 0.000 0.927 104 K CB -0.366 32.130 32.500 -0.005 0.000 0.712 104 K HN 0.295 nan 8.250 nan 0.000 0.441 105 F N 0.605 120.593 119.950 0.063 0.000 2.046 105 F HA -0.276 4.251 4.527 0.000 0.000 0.297 105 F C 2.385 178.167 175.800 -0.029 0.000 1.123 105 F CA 1.163 59.174 58.000 0.018 0.000 1.199 105 F CB -0.653 38.348 39.000 0.003 0.000 0.972 105 F HN -0.204 nan 8.300 nan 0.000 0.474 106 V N 0.039 120.053 119.914 0.167 0.000 2.295 106 V HA -0.284 3.836 4.120 0.000 0.000 0.246 106 V C 1.950 178.030 176.094 -0.023 0.000 1.049 106 V CA 2.090 64.409 62.300 0.032 0.000 1.024 106 V CB -0.669 31.147 31.823 -0.011 0.000 0.648 106 V HN 0.352 nan 8.190 nan 0.000 0.447 107 E N 0.157 120.345 120.200 -0.021 0.000 2.472 107 E HA -0.130 4.220 4.350 0.000 0.000 0.200 107 E C 1.091 177.660 176.600 -0.051 0.000 1.046 107 E CA 0.457 56.827 56.400 -0.051 0.000 0.871 107 E CB -0.171 29.503 29.700 -0.044 0.000 0.806 107 E HN 0.573 nan 8.360 nan 0.000 0.533 108 N N -0.137 118.542 118.700 -0.034 0.000 2.251 108 N HA 0.036 4.776 4.740 0.000 0.000 0.217 108 N C 0.685 176.172 175.510 -0.038 0.000 1.124 108 N CA 0.588 53.613 53.050 -0.041 0.000 0.843 108 N CB 1.434 39.892 38.487 -0.049 0.000 1.024 108 N HN 0.232 nan 8.380 nan 0.000 0.501 109 G N 1.210 109.980 108.800 -0.050 0.000 2.148 109 G HA2 -0.266 3.694 3.960 0.000 0.000 0.254 109 G HA3 -0.266 3.694 3.960 0.000 0.000 0.254 109 G C 0.028 174.911 174.900 -0.029 0.000 0.981 109 G CA -0.156 44.904 45.100 -0.065 0.000 0.670 109 G HN 0.334 nan 8.290 nan 0.000 0.528 110 I N 2.062 122.648 120.570 0.027 0.000 2.307 110 I HA 0.331 4.502 4.170 0.000 0.000 0.289 110 I C 0.836 176.984 176.117 0.052 0.000 1.021 110 I CA -0.517 60.831 61.300 0.079 0.000 1.224 110 I CB 1.469 39.606 38.000 0.228 0.000 1.376 110 I HN 0.066 nan 8.210 nan 0.000 0.470 111 S N 6.581 122.304 115.700 0.039 0.000 2.600 111 S HA 0.547 5.017 4.470 0.000 0.000 0.265 111 S C -0.080 174.509 174.600 -0.018 0.000 1.325 111 S CA -0.137 58.097 58.200 0.057 0.000 1.002 111 S CB 0.811 64.103 63.200 0.152 0.000 0.921 111 S HN 0.363 nan 8.310 nan 0.000 0.554 112 I N 0.668 121.228 120.570 -0.016 0.000 2.656 112 I HA 0.593 4.763 4.170 0.000 0.000 0.292 112 I C -0.645 175.463 176.117 -0.014 0.000 1.144 112 I CA -0.708 60.511 61.300 -0.134 0.000 1.038 112 I CB 2.043 39.823 38.000 -0.368 0.000 1.244 112 I HN 0.637 nan 8.210 nan 0.000 0.420 113 A N 3.532 126.314 122.820 -0.063 0.000 2.374 113 A HA 0.907 5.227 4.320 0.000 0.000 0.305 113 A C -0.663 176.881 177.584 -0.068 0.000 1.053 113 A CA -0.572 51.456 52.037 -0.014 0.000 0.726 113 A CB 2.051 21.018 19.000 -0.055 0.000 1.229 113 A HN 0.658 nan 8.150 nan 0.000 0.431 114 T N 1.854 116.410 114.554 0.004 0.000 2.827 114 T HA 0.611 4.962 4.350 0.000 0.000 0.328 114 T C -2.782 171.948 174.700 0.050 0.000 1.598 114 T CA -0.621 61.490 62.100 0.018 0.000 1.043 114 T CB 1.842 70.796 68.868 0.143 0.000 1.447 114 T HN 0.229 nan 8.240 nan 0.000 0.491 115 P HA 0.236 nan 4.420 nan 0.000 0.259 115 P C 0.048 177.416 177.300 0.113 0.000 1.233 115 P CA -0.173 62.956 63.100 0.048 0.000 0.827 115 P CB 0.100 31.813 31.700 0.021 0.000 1.154 116 N N 1.326 120.135 118.700 0.180 0.000 2.429 116 N HA -0.029 4.712 4.740 0.000 0.000 0.271 116 N C 0.769 176.496 175.510 0.362 0.000 1.272 116 N CA 0.537 53.729 53.050 0.237 0.000 0.921 116 N CB 0.306 38.951 38.487 0.262 0.000 1.128 116 N HN 0.018 nan 8.380 nan 0.000 0.481 117 K N 2.674 123.236 120.400 0.270 0.000 2.418 117 K HA 0.016 4.336 4.320 0.000 0.000 0.195 117 K C 1.378 178.165 176.600 0.311 0.000 1.035 117 K CA 0.084 56.573 56.287 0.338 0.000 1.003 117 K CB 0.350 32.971 32.500 0.202 0.000 0.793 117 K HN 0.367 nan 8.250 nan 0.000 0.494 118 K N 1.436 121.933 120.400 0.161 0.000 2.001 118 K HA -0.209 4.111 4.320 0.000 0.000 0.223 118 K C 2.218 178.790 176.600 -0.046 0.000 1.055 118 K CA 2.028 58.336 56.287 0.034 0.000 0.965 118 K CB -0.795 31.679 32.500 -0.044 0.000 0.730 118 K HN 0.179 nan 8.250 nan 0.000 0.449 119 A N 0.540 123.204 122.820 -0.260 0.000 1.978 119 A HA -0.139 4.182 4.320 0.000 0.000 0.220 119 A C 2.035 179.401 177.584 -0.364 0.000 1.170 119 A CA 1.564 53.320 52.037 -0.467 0.000 0.636 119 A CB -0.758 17.718 19.000 -0.874 0.000 0.810 119 A HN 0.305 nan 8.150 nan 0.000 0.448 120 F N 0.271 120.277 119.950 0.092 0.000 2.743 120 F HA 0.078 4.605 4.527 0.000 0.000 0.297 120 F C 1.766 177.762 175.800 0.327 0.000 1.131 120 F CA 0.879 59.040 58.000 0.268 0.000 1.426 120 F CB 0.108 39.207 39.000 0.165 0.000 1.116 120 F HN 0.229 nan 8.300 nan 0.000 0.583 121 S N -1.446 114.431 115.700 0.296 0.000 2.711 121 S HA 0.297 4.767 4.470 0.000 0.000 0.247 121 S C 0.462 175.123 174.600 0.102 0.000 1.079 121 S CA -0.104 58.205 58.200 0.182 0.000 1.050 121 S CB -0.604 62.693 63.200 0.162 0.000 0.885 121 S HN 0.169 nan 8.310 nan 0.000 0.498 122 S N 1.568 117.320 115.700 0.087 0.000 2.626 122 S HA 0.477 4.948 4.470 0.000 0.000 0.243 122 S C 0.051 174.680 174.600 0.048 0.000 1.116 122 S CA -0.251 57.973 58.200 0.040 0.000 1.089 122 S CB -0.712 62.489 63.200 0.003 0.000 1.180 122 S HN 0.543 nan 8.310 nan 0.000 0.523 123 D N -0.040 120.380 120.400 0.034 0.000 2.369 123 D HA 0.168 4.808 4.640 0.000 0.000 0.241 123 D C 0.950 177.292 176.300 0.069 0.000 1.271 123 D CA -0.608 53.414 54.000 0.036 0.000 0.942 123 D CB 0.223 41.035 40.800 0.021 0.000 1.129 123 D HN 0.261 nan 8.370 nan 0.000 0.476 124 L N 0.622 121.879 121.223 0.057 0.000 2.109 124 L HA 0.090 4.430 4.340 0.000 0.000 0.207 124 L C 2.214 179.166 176.870 0.137 0.000 1.086 124 L CA 1.812 56.702 54.840 0.083 0.000 0.760 124 L CB -1.003 41.076 42.059 0.033 0.000 0.910 124 L HN 0.688 nan 8.230 nan 0.000 0.437 125 A N -1.763 121.109 122.820 0.087 0.000 1.969 125 A HA -0.171 4.149 4.320 0.000 0.000 0.218 125 A C 2.223 179.855 177.584 0.081 0.000 1.169 125 A CA 2.087 54.171 52.037 0.078 0.000 0.635 125 A CB -0.979 18.046 19.000 0.041 0.000 0.810 125 A HN 0.463 nan 8.150 nan 0.000 0.445 126 T N -1.378 113.220 114.554 0.074 0.000 2.867 126 T HA -0.142 4.209 4.350 0.000 0.000 0.268 126 T C 1.580 176.321 174.700 0.068 0.000 1.057 126 T CA 1.033 63.155 62.100 0.037 0.000 1.136 126 T CB -0.259 68.611 68.868 0.003 0.000 0.874 126 T HN 0.753 nan 8.240 nan 0.000 0.466 127 W N 2.345 123.624 121.300 -0.035 0.000 2.418 127 W HA 0.000 4.660 4.660 0.000 0.000 0.292 127 W C 1.496 178.024 176.519 0.016 0.000 1.213 127 W CA 0.638 57.973 57.345 -0.016 0.000 1.283 127 W CB -0.230 29.237 29.460 0.012 0.000 1.119 127 W HN 0.052 nan 8.180 nan 0.000 0.542 128 K N 1.071 121.637 120.400 0.275 0.000 2.218 128 K HA -0.139 4.181 4.320 0.000 0.000 0.205 128 K C 1.417 178.055 176.600 0.063 0.000 1.046 128 K CA 1.250 57.650 56.287 0.187 0.000 0.933 128 K CB -0.918 31.677 32.500 0.158 0.000 0.728 128 K HN 0.122 nan 8.250 nan 0.000 0.454 129 A N 1.506 124.332 122.820 0.010 0.000 3.029 129 A HA 0.082 4.402 4.320 0.000 0.000 0.251 129 A C 1.116 178.647 177.584 -0.088 0.000 1.749 129 A CA 0.120 52.144 52.037 -0.021 0.000 1.386 129 A CB -0.442 18.542 19.000 -0.026 0.000 1.043 129 A HN 0.178 nan 8.150 nan 0.000 0.638 130 L N -0.904 120.262 121.223 -0.095 0.000 2.878 130 L HA 0.498 4.839 4.340 0.000 0.000 0.253 130 L C -0.181 176.689 176.870 0.002 0.000 1.135 130 L CA 0.093 54.842 54.840 -0.151 0.000 0.943 130 L CB -0.094 41.720 42.059 -0.408 0.000 1.307 130 L HN 0.372 nan 8.230 nan 0.000 0.545 131 F N 0.577 120.480 119.950 -0.079 0.000 2.404 131 F HA 0.387 4.914 4.527 0.000 0.000 0.345 131 F C 1.182 176.957 175.800 -0.041 0.000 1.110 131 F CA -0.704 57.273 58.000 -0.038 0.000 1.130 131 F CB 1.302 40.295 39.000 -0.012 0.000 1.129 131 F HN -0.071 nan 8.300 nan 0.000 0.500 132 S N 5.648 120.833 115.700 -0.859 0.000 3.797 132 S HA -0.115 4.355 4.470 0.000 0.000 0.187 132 S C 1.650 175.694 174.600 -0.926 0.000 1.165 132 S CA 0.648 58.389 58.200 -0.765 0.000 1.013 132 S CB -1.692 61.156 63.200 -0.587 0.000 1.456 132 S HN 0.925 nan 8.310 nan 0.000 0.442 133 N N 1.859 120.182 118.700 -0.628 0.000 2.184 133 N HA -0.144 4.596 4.740 0.000 0.000 0.190 133 N C -0.010 175.368 175.510 -0.220 0.000 1.011 133 N CA 0.952 53.836 53.050 -0.277 0.000 0.867 133 N CB 0.003 38.463 38.487 -0.045 0.000 0.993 133 N HN 0.539 nan 8.380 nan 0.000 0.433 134 K N 0.245 120.505 120.400 -0.232 0.000 2.221 134 K HA 0.229 4.549 4.320 0.000 0.000 0.258 134 K C -1.974 174.505 176.600 -0.202 0.000 0.944 134 K CA -1.992 54.194 56.287 -0.168 0.000 0.823 134 K CB 2.057 34.483 32.500 -0.124 0.000 1.113 134 K HN 0.017 nan 8.250 nan 0.000 0.431 135 P HA -0.115 nan 4.420 nan 0.000 0.234 135 P C 0.338 177.548 177.300 -0.149 0.000 1.167 135 P CA 1.035 64.048 63.100 -0.145 0.000 0.763 135 P CB 0.006 31.651 31.700 -0.092 0.000 0.835 136 T N -3.939 110.528 114.554 -0.144 0.000 3.275 136 T HA 0.303 4.654 4.350 0.000 0.000 0.265 136 T C 0.131 174.734 174.700 -0.162 0.000 0.978 136 T CA -0.679 61.340 62.100 -0.136 0.000 0.923 136 T CB -0.974 67.836 68.868 -0.098 0.000 1.126 136 T HN -0.196 nan 8.240 nan 0.000 0.538 137 N N 1.353 119.917 118.700 -0.227 0.000 2.419 137 N HA 0.613 5.353 4.740 0.000 0.000 0.277 137 N C 0.592 175.890 175.510 -0.353 0.000 1.006 137 N CA -0.177 52.725 53.050 -0.246 0.000 0.923 137 N CB 1.433 39.763 38.487 -0.261 0.000 1.140 137 N HN 0.513 nan 8.380 nan 0.000 0.488 138 G N 0.858 109.512 108.800 -0.243 0.000 2.684 138 G HA2 0.294 4.254 3.960 0.000 0.000 0.255 138 G HA3 0.294 4.254 3.960 0.000 0.000 0.255 138 G C -0.410 174.318 174.900 -0.288 0.000 1.219 138 G CA -0.214 44.739 45.100 -0.243 0.000 0.901 138 G HN 0.409 nan 8.290 nan 0.000 0.548 139 F N -1.544 118.433 119.950 0.046 0.000 2.380 139 F HA 0.515 5.042 4.527 0.000 0.000 0.321 139 F C 0.403 176.289 175.800 0.145 0.000 1.103 139 F CA -0.524 57.552 58.000 0.128 0.000 1.067 139 F CB 2.042 41.201 39.000 0.266 0.000 1.265 139 F HN 0.113 nan 8.300 nan 0.000 0.517 140 V N 2.057 122.209 119.914 0.396 0.000 2.447 140 V HA 0.313 4.433 4.120 0.000 0.000 0.292 140 V C -1.387 174.885 176.094 0.296 0.000 1.021 140 V CA -0.867 61.596 62.300 0.271 0.000 0.850 140 V CB 0.866 32.765 31.823 0.127 0.000 1.005 140 V HN 0.488 nan 8.190 nan 0.000 0.426 141 Y N 4.218 124.598 120.300 0.134 0.000 2.364 141 Y HA 0.582 5.132 4.550 0.000 0.000 0.340 141 Y C 0.891 176.827 175.900 0.061 0.000 0.975 141 Y CA -0.981 57.172 58.100 0.089 0.000 1.089 141 Y CB 1.661 40.127 38.460 0.009 0.000 1.192 141 Y HN 0.786 nan 8.280 nan 0.000 0.454 142 H N 1.087 120.064 119.070 -0.154 0.000 2.637 142 H HA 0.246 4.802 4.556 0.000 0.000 0.245 142 H C 0.910 176.103 175.328 -0.226 0.000 1.190 142 H CA -0.105 55.726 56.048 -0.362 0.000 0.934 142 H CB 0.065 29.091 29.762 -1.227 0.000 1.950 142 H HN 0.650 nan 8.280 nan 0.000 0.614 143 E N 2.674 122.714 120.200 -0.266 0.000 2.086 143 E HA -0.202 4.148 4.350 0.000 0.000 0.205 143 E C 2.021 178.549 176.600 -0.119 0.000 1.027 143 E CA 2.335 58.615 56.400 -0.199 0.000 0.830 143 E CB -0.417 29.246 29.700 -0.061 0.000 0.751 143 E HN 0.561 nan 8.360 nan 0.000 0.456 144 A N -0.604 122.179 122.820 -0.062 0.000 2.264 144 A HA -0.050 4.270 4.320 0.000 0.000 0.207 144 A C 2.090 179.670 177.584 -0.005 0.000 1.196 144 A CA 1.487 53.513 52.037 -0.019 0.000 0.778 144 A CB -0.841 18.157 19.000 -0.003 0.000 0.779 144 A HN 0.341 nan 8.150 nan 0.000 0.483 145 T N -1.308 113.226 114.554 -0.034 0.000 3.043 145 T HA 0.171 4.521 4.350 0.000 0.000 0.263 145 T C 0.152 174.865 174.700 0.022 0.000 1.094 145 T CA 1.128 63.234 62.100 0.011 0.000 1.127 145 T CB -0.210 68.659 68.868 0.002 0.000 0.905 145 T HN 0.064 nan 8.240 nan 0.000 0.490 146 V N 0.814 120.728 119.914 0.000 0.000 2.462 146 V HA 0.631 4.752 4.120 0.000 0.000 0.288 146 V C 0.709 176.855 176.094 0.086 0.000 1.020 146 V CA -0.376 61.938 62.300 0.024 0.000 0.857 146 V CB 0.691 32.489 31.823 -0.041 0.000 1.013 146 V HN 0.388 nan 8.190 nan 0.000 0.431 147 G N 3.897 112.778 108.800 0.136 0.000 2.171 147 G HA2 0.113 4.073 3.960 0.000 0.000 0.238 147 G HA3 0.113 4.073 3.960 0.000 0.000 0.238 147 G C 0.771 175.704 174.900 0.055 0.000 1.039 147 G CA 0.597 45.766 45.100 0.114 0.000 0.759 147 G HN 2.305 nan 8.290 nan 0.000 0.501 148 A N -1.412 121.436 122.820 0.047 0.000 5.308 148 A HA 0.104 4.424 4.320 0.000 0.000 0.321 148 A C 2.629 180.223 177.584 0.018 0.000 1.849 148 A CA 2.864 54.919 52.037 0.030 0.000 0.713 148 A CB -1.195 17.821 19.000 0.028 0.000 1.360 148 A HN 2.240 nan 8.150 nan 0.000 0.384 149 G N -0.860 107.950 108.800 0.016 0.000 3.042 149 G HA2 0.453 4.414 3.960 0.000 0.000 0.212 149 G HA3 0.453 4.414 3.960 0.000 0.000 0.212 149 G C 0.569 175.472 174.900 0.005 0.000 1.166 149 G CA 0.432 45.539 45.100 0.011 0.000 0.767 149 G HN 0.718 nan 8.290 nan 0.000 0.546 150 L N 1.543 122.768 121.223 0.004 0.000 2.506 150 L HA 0.171 4.511 4.340 0.000 0.000 0.281 150 L C -1.546 175.325 176.870 0.002 0.000 1.228 150 L CA -1.226 53.611 54.840 -0.004 0.000 0.850 150 L CB 0.452 42.509 42.059 -0.005 0.000 1.110 150 L HN -0.010 nan 8.230 nan 0.000 0.496 151 P HA 0.162 nan 4.420 nan 0.000 0.238 151 P C 0.283 177.613 177.300 0.050 0.000 1.794 151 P CA 0.217 63.325 63.100 0.013 0.000 1.088 151 P CB 0.358 32.048 31.700 -0.017 0.000 1.923 152 I N 1.504 122.115 120.570 0.068 0.000 3.341 152 I HA 0.017 4.187 4.170 0.000 0.000 0.243 152 I C 2.442 178.630 176.117 0.119 0.000 1.094 152 I CA 0.003 61.373 61.300 0.117 0.000 1.507 152 I CB -0.162 37.899 38.000 0.101 0.000 1.441 152 I HN -0.002 nan 8.210 nan 0.000 0.465 153 I N 1.411 121.996 120.570 0.026 0.000 2.286 153 I HA -0.276 3.894 4.170 0.000 0.000 0.248 153 I C 2.728 178.834 176.117 -0.020 0.000 1.115 153 I CA 1.818 63.096 61.300 -0.037 0.000 1.392 153 I CB -0.318 37.558 38.000 -0.208 0.000 1.065 153 I HN 0.338 nan 8.210 nan 0.000 0.418 154 S N 0.864 116.572 115.700 0.013 0.000 2.383 154 S HA -0.205 4.265 4.470 0.000 0.000 0.227 154 S C 1.986 176.641 174.600 0.091 0.000 1.026 154 S CA 0.756 58.981 58.200 0.042 0.000 0.981 154 S CB -0.889 62.356 63.200 0.074 0.000 0.818 154 S HN 0.461 nan 8.310 nan 0.000 0.472 155 F N 2.387 122.330 119.950 -0.011 0.000 2.146 155 F HA 0.204 4.731 4.527 0.001 0.000 0.298 155 F C 1.863 177.664 175.800 0.001 0.000 1.096 155 F CA 0.669 58.666 58.000 -0.006 0.000 1.275 155 F CB -0.481 38.506 39.000 -0.022 0.000 1.008 155 F HN 0.134 nan 8.300 nan 0.000 0.480 156 L N 0.102 121.256 121.223 -0.114 0.000 2.017 156 L HA -0.210 4.130 4.340 0.000 0.000 0.208 156 L C 2.749 179.523 176.870 -0.159 0.000 1.073 156 L CA 1.395 56.122 54.840 -0.188 0.000 0.745 156 L CB -0.602 41.437 42.059 -0.033 0.000 0.894 156 L HN 0.021 nan 8.230 nan 0.000 0.432 157 R N -0.337 120.117 120.500 -0.077 0.000 2.120 157 R HA -0.187 4.153 4.340 0.000 0.000 0.234 157 R C 2.068 178.329 176.300 -0.065 0.000 1.123 157 R CA 1.186 57.257 56.100 -0.048 0.000 0.975 157 R CB -0.380 29.903 30.300 -0.029 0.000 0.866 157 R HN 0.497 nan 8.270 nan 0.000 0.446 158 E N 1.547 121.696 120.200 -0.085 0.000 2.017 158 E HA -0.190 4.160 4.350 0.000 0.000 0.193 158 E C 2.172 178.714 176.600 -0.097 0.000 0.997 158 E CA 1.595 57.958 56.400 -0.062 0.000 0.804 158 E CB -0.117 29.573 29.700 -0.016 0.000 0.757 158 E HN 0.390 nan 8.360 nan 0.000 0.448 159 I N -1.049 119.389 120.570 -0.221 0.000 2.264 159 I HA -0.243 3.927 4.170 0.000 0.000 0.248 159 I C 2.381 178.441 176.117 -0.095 0.000 1.111 159 I CA 1.221 62.418 61.300 -0.170 0.000 1.382 159 I CB -0.549 37.272 38.000 -0.298 0.000 1.060 159 I HN 0.092 nan 8.210 nan 0.000 0.418 160 I N 1.384 121.893 120.570 -0.102 0.000 2.127 160 I HA -0.321 3.849 4.170 0.000 0.000 0.241 160 I C 2.939 179.040 176.117 -0.028 0.000 1.075 160 I CA 1.868 63.137 61.300 -0.051 0.000 1.334 160 I CB -0.537 37.439 38.000 -0.039 0.000 1.040 160 I HN 0.368 nan 8.210 nan 0.000 0.405 161 Q N -0.094 119.692 119.800 -0.023 0.000 2.135 161 Q HA -0.205 4.135 4.340 0.000 0.000 0.204 161 Q C 2.071 178.069 176.000 -0.003 0.000 0.981 161 Q CA 2.051 57.851 55.803 -0.005 0.000 0.856 161 Q CB -0.450 28.291 28.738 0.005 0.000 0.902 161 Q HN 0.499 nan 8.270 nan 0.000 0.425 162 T N -0.950 113.598 114.554 -0.009 0.000 2.977 162 T HA -0.025 4.325 4.350 0.000 0.000 0.271 162 T C 1.254 175.952 174.700 -0.004 0.000 1.105 162 T CA 1.139 63.238 62.100 -0.002 0.000 1.116 162 T CB -0.052 68.817 68.868 0.002 0.000 0.878 162 T HN 0.683 nan 8.240 nan 0.000 0.509 163 G N 0.890 109.685 108.800 -0.008 0.000 2.255 163 G HA2 -0.166 3.794 3.960 0.000 0.000 0.196 163 G HA3 -0.166 3.794 3.960 0.000 0.000 0.196 163 G C -0.081 174.813 174.900 -0.008 0.000 0.998 163 G CA -0.080 45.015 45.100 -0.008 0.000 0.656 163 G HN 0.495 nan 8.290 nan 0.000 0.490 164 D N 1.148 121.543 120.400 -0.009 0.000 2.360 164 D HA 0.512 5.152 4.640 0.000 0.000 0.242 164 D C 0.267 176.565 176.300 -0.004 0.000 1.184 164 D CA 0.340 54.340 54.000 -0.000 0.000 0.930 164 D CB 0.550 41.360 40.800 0.016 0.000 1.161 164 D HN 0.447 nan 8.370 nan 0.000 0.447 165 E N 0.258 120.463 120.200 0.008 0.000 2.246 165 E HA 0.317 4.667 4.350 0.000 0.000 0.266 165 E C -1.080 175.530 176.600 0.016 0.000 0.880 165 E CA -0.903 55.500 56.400 0.005 0.000 0.762 165 E CB 2.583 32.285 29.700 0.004 0.000 1.180 165 E HN 0.173 nan 8.360 nan 0.000 0.416 166 V N 3.179 123.097 119.914 0.007 0.000 2.614 166 V HA 0.081 4.201 4.120 0.000 0.000 0.291 166 V C 0.284 176.388 176.094 0.017 0.000 1.049 166 V CA 0.754 63.064 62.300 0.017 0.000 1.038 166 V CB 1.291 33.118 31.823 0.006 0.000 0.980 166 V HN 0.810 nan 8.190 nan 0.000 0.481 167 E N 4.006 124.223 120.200 0.029 0.000 2.228 167 E HA 0.307 4.657 4.350 0.000 0.000 0.197 167 E C -0.068 176.544 176.600 0.019 0.000 0.909 167 E CA 0.262 56.675 56.400 0.021 0.000 0.911 167 E CB 0.540 30.256 29.700 0.027 0.000 0.887 167 E HN 0.670 nan 8.360 nan 0.000 0.481 168 K N 0.267 120.687 120.400 0.033 0.000 2.508 168 K HA 0.585 4.905 4.320 0.000 0.000 0.260 168 K C -1.311 175.324 176.600 0.059 0.000 0.949 168 K CA -0.505 55.804 56.287 0.036 0.000 0.834 168 K CB 2.635 35.156 32.500 0.035 0.000 1.365 168 K HN -0.108 nan 8.250 nan 0.000 0.437 169 I N 1.582 122.194 120.570 0.070 0.000 2.841 169 I HA 0.258 4.429 4.170 0.000 0.000 0.298 169 I C -1.527 174.677 176.117 0.145 0.000 1.304 169 I CA -0.545 60.825 61.300 0.116 0.000 1.019 169 I CB 2.718 40.793 38.000 0.124 0.000 1.282 169 I HN 0.752 nan 8.210 nan 0.000 0.432 170 E N 4.158 124.475 120.200 0.196 0.000 2.400 170 E HA 0.736 5.087 4.350 0.000 0.000 0.285 170 E C -1.510 175.219 176.600 0.214 0.000 1.005 170 E CA -0.839 55.693 56.400 0.221 0.000 0.816 170 E CB 2.347 32.169 29.700 0.204 0.000 1.220 170 E HN 0.757 nan 8.360 nan 0.000 0.426 171 G N 1.585 110.336 108.800 -0.081 0.000 2.548 171 G HA2 0.495 4.455 3.960 0.000 0.000 0.301 171 G HA3 0.495 4.455 3.960 0.000 0.000 0.301 171 G C -1.487 172.893 174.900 -0.867 0.000 1.349 171 G CA -0.983 43.720 45.100 -0.662 0.000 0.792 171 G HN 0.483 nan 8.290 nan 0.000 0.481 172 I N 0.895 120.877 120.570 -0.980 0.000 2.328 172 I HA 0.344 4.515 4.170 0.000 0.000 0.287 172 I C -0.304 175.482 176.117 -0.552 0.000 1.012 172 I CA -0.386 60.576 61.300 -0.563 0.000 1.195 172 I CB 1.221 38.947 38.000 -0.456 0.000 1.350 172 I HN 0.433 nan 8.210 nan 0.000 0.464 173 F N 2.555 122.511 119.950 0.010 0.000 2.678 173 F HA 0.167 4.695 4.527 0.001 0.000 0.305 173 F C 1.287 177.123 175.800 0.060 0.000 1.090 173 F CA -0.126 57.893 58.000 0.031 0.000 1.272 173 F CB 0.652 39.684 39.000 0.054 0.000 1.060 173 F HN 0.355 nan 8.300 nan 0.000 0.576 174 S N 0.110 115.944 115.700 0.224 0.000 2.433 174 S HA 0.478 4.948 4.470 0.000 0.000 0.310 174 S C 1.153 175.825 174.600 0.121 0.000 1.097 174 S CA -0.229 58.075 58.200 0.173 0.000 1.103 174 S CB 1.260 64.562 63.200 0.171 0.000 0.992 174 S HN 0.321 nan 8.310 nan 0.000 0.469 175 G N 3.387 112.245 108.800 0.097 0.000 2.421 175 G HA2 -0.142 3.818 3.960 0.000 0.000 0.216 175 G HA3 -0.142 3.818 3.960 0.000 0.000 0.216 175 G C 1.254 176.214 174.900 0.099 0.000 1.171 175 G CA 1.417 46.559 45.100 0.069 0.000 0.775 175 G HN 0.700 nan 8.290 nan 0.000 0.543 176 T N 1.542 116.160 114.554 0.106 0.000 2.652 176 T HA -0.062 4.288 4.350 0.000 0.000 0.267 176 T C 2.406 177.225 174.700 0.198 0.000 1.039 176 T CA 1.052 63.237 62.100 0.141 0.000 1.153 176 T CB -0.298 68.634 68.868 0.107 0.000 0.863 176 T HN 0.128 nan 8.240 nan 0.000 0.428 177 L N 0.855 122.179 121.223 0.168 0.000 2.191 177 L HA -0.073 4.267 4.340 0.000 0.000 0.212 177 L C 2.836 179.904 176.870 0.329 0.000 1.103 177 L CA 0.848 55.830 54.840 0.235 0.000 0.769 177 L CB -0.554 41.564 42.059 0.100 0.000 0.908 177 L HN 0.292 nan 8.230 nan 0.000 0.438 178 S N -0.755 115.076 115.700 0.218 0.000 2.357 178 S HA -0.221 4.249 4.470 0.000 0.000 0.221 178 S C 2.036 176.743 174.600 0.180 0.000 1.031 178 S CA 0.872 59.174 58.200 0.171 0.000 0.982 178 S CB -0.277 62.967 63.200 0.073 0.000 0.853 178 S HN 0.459 nan 8.310 nan 0.000 0.458 179 Y N 2.057 122.402 120.300 0.074 0.000 2.097 179 Y HA -0.133 4.417 4.550 0.000 0.000 0.282 179 Y C 1.934 177.894 175.900 0.100 0.000 1.152 179 Y CA 1.952 60.075 58.100 0.040 0.000 1.136 179 Y CB -0.608 37.832 38.460 -0.032 0.000 0.975 179 Y HN 0.289 nan 8.280 nan 0.000 0.498 180 I N -0.985 119.657 120.570 0.121 0.000 2.127 180 I HA -0.361 3.809 4.170 0.000 0.000 0.241 180 I C 2.018 178.141 176.117 0.009 0.000 1.075 180 I CA 1.727 63.028 61.300 0.003 0.000 1.334 180 I CB -0.555 37.451 38.000 0.011 0.000 1.040 180 I HN 0.134 nan 8.210 nan 0.000 0.405 181 F N 0.839 120.878 119.950 0.148 0.000 2.407 181 F HA -0.124 4.403 4.527 0.000 0.000 0.299 181 F C 2.249 178.130 175.800 0.135 0.000 1.097 181 F CA 0.940 59.090 58.000 0.249 0.000 1.422 181 F CB -0.530 38.633 39.000 0.272 0.000 1.067 181 F HN 0.115 nan 8.300 nan 0.000 0.539 182 N N -0.009 118.779 118.700 0.147 0.000 2.331 182 N HA -0.114 4.626 4.740 0.000 0.000 0.180 182 N C 1.739 177.213 175.510 -0.060 0.000 1.019 182 N CA 0.908 53.971 53.050 0.022 0.000 0.881 182 N CB -0.131 38.319 38.487 -0.062 0.000 0.972 182 N HN 0.314 nan 8.380 nan 0.000 0.435 183 E N -0.201 119.916 120.200 -0.137 0.000 2.075 183 E HA -0.026 4.325 4.350 0.000 0.000 0.190 183 E C 1.641 178.260 176.600 0.030 0.000 0.969 183 E CA 0.159 56.485 56.400 -0.123 0.000 0.815 183 E CB -0.425 29.133 29.700 -0.237 0.000 0.776 183 E HN 0.237 nan 8.360 nan 0.000 0.457 184 F N 2.162 122.054 119.950 -0.095 0.000 2.051 184 F HA -0.050 4.477 4.527 0.001 0.000 0.296 184 F C 1.262 177.076 175.800 0.022 0.000 1.122 184 F CA 1.130 59.104 58.000 -0.045 0.000 1.201 184 F CB -0.055 38.887 39.000 -0.097 0.000 0.978 184 F HN -0.219 nan 8.300 nan 0.000 0.472 185 S N 0.579 116.233 115.700 -0.075 0.000 2.520 185 S HA 0.500 4.971 4.470 0.000 0.000 0.324 185 S C -0.317 174.289 174.600 0.011 0.000 1.069 185 S CA -0.158 57.965 58.200 -0.130 0.000 1.121 185 S CB -0.175 63.051 63.200 0.045 0.000 0.971 185 S HN 0.492 nan 8.310 nan 0.000 0.463 186 T N 1.135 115.666 114.554 -0.037 0.000 2.883 186 T HA 0.516 4.866 4.350 0.000 0.000 0.284 186 T C 1.350 175.999 174.700 -0.086 0.000 1.041 186 T CA -0.082 61.995 62.100 -0.038 0.000 1.007 186 T CB 1.047 69.877 68.868 -0.063 0.000 1.220 186 T HN 0.536 nan 8.240 nan 0.000 0.552 187 S N -0.195 115.354 115.700 -0.251 0.000 2.406 187 S HA -0.065 4.405 4.470 0.000 0.000 0.224 187 S C 1.218 175.567 174.600 -0.418 0.000 1.030 187 S CA 0.085 57.869 58.200 -0.694 0.000 0.958 187 S CB -0.560 62.077 63.200 -0.937 0.000 0.811 187 S HN 0.885 nan 8.310 nan 0.000 0.489 188 Q N 2.284 121.945 119.800 -0.233 0.000 3.026 188 Q HA 0.503 4.843 4.340 0.000 0.000 0.258 188 Q C 0.051 176.005 176.000 -0.076 0.000 1.388 188 Q CA 0.093 55.816 55.803 -0.134 0.000 1.000 188 Q CB -1.024 27.654 28.738 -0.100 0.000 1.634 188 Q HN 0.680 nan 8.270 nan 0.000 0.571 189 A N 2.623 125.411 122.820 -0.054 0.000 1.759 189 A HA -0.286 4.034 4.320 0.000 0.000 0.237 189 A C 0.028 177.591 177.584 -0.034 0.000 1.234 189 A CA 1.018 53.040 52.037 -0.026 0.000 0.741 189 A CB -1.728 17.265 19.000 -0.013 0.000 1.184 189 A HN 0.868 nan 8.150 nan 0.000 0.272 190 N N 0.444 119.116 118.700 -0.046 0.000 2.385 190 N HA 0.500 5.240 4.740 0.000 0.000 0.291 190 N C 0.639 176.129 175.510 -0.034 0.000 1.298 190 N CA 0.609 53.630 53.050 -0.048 0.000 0.955 190 N CB 0.514 38.950 38.487 -0.084 0.000 1.096 190 N HN 0.663 nan 8.380 nan 0.000 0.543 191 D N -1.773 118.614 120.400 -0.021 0.000 3.899 191 D HA 0.022 4.662 4.640 0.000 0.000 0.270 191 D C -1.692 174.635 176.300 0.045 0.000 0.842 191 D CA -0.078 53.925 54.000 0.006 0.000 0.782 191 D CB -0.584 40.220 40.800 0.008 0.000 1.750 191 D HN 0.154 nan 8.370 nan 0.000 0.244 192 V N 1.577 121.533 119.914 0.070 0.000 2.686 192 V HA 0.425 4.545 4.120 0.000 0.000 0.295 192 V C 0.664 176.896 176.094 0.229 0.000 1.057 192 V CA -0.488 61.884 62.300 0.119 0.000 1.012 192 V CB 1.597 33.488 31.823 0.112 0.000 1.006 192 V HN -0.016 nan 8.190 nan 0.000 0.477 193 K N 2.099 122.602 120.400 0.173 0.000 2.218 193 K HA 0.197 4.517 4.320 0.000 0.000 0.276 193 K C 0.657 177.341 176.600 0.140 0.000 1.022 193 K CA -0.331 56.073 56.287 0.194 0.000 0.946 193 K CB 0.641 33.200 32.500 0.098 0.000 1.000 193 K HN 0.616 nan 8.250 nan 0.000 0.468 194 F N 2.351 122.218 119.950 -0.139 0.000 2.120 194 F HA -0.310 4.217 4.527 0.000 0.000 0.300 194 F C 2.457 178.098 175.800 -0.265 0.000 1.095 194 F CA 2.090 59.763 58.000 -0.544 0.000 1.249 194 F CB -0.216 38.318 39.000 -0.777 0.000 0.995 194 F HN 0.666 nan 8.300 nan 0.000 0.480 195 S N 0.014 115.657 115.700 -0.094 0.000 2.368 195 S HA -0.261 4.210 4.470 0.000 0.000 0.226 195 S C 1.911 176.405 174.600 -0.176 0.000 1.044 195 S CA 2.064 60.182 58.200 -0.137 0.000 1.062 195 S CB -0.660 62.519 63.200 -0.035 0.000 0.931 195 S HN 0.546 nan 8.310 nan 0.000 0.440 196 D N 0.356 120.692 120.400 -0.107 0.000 2.178 196 D HA -0.040 4.601 4.640 0.000 0.000 0.202 196 D C 2.137 178.378 176.300 -0.097 0.000 0.974 196 D CA 1.070 55.024 54.000 -0.076 0.000 0.841 196 D CB -0.415 40.373 40.800 -0.020 0.000 0.953 196 D HN 0.348 nan 8.370 nan 0.000 0.478 197 V N 1.775 121.595 119.914 -0.157 0.000 2.332 197 V HA -0.235 3.885 4.120 0.000 0.000 0.248 197 V C 2.859 178.863 176.094 -0.150 0.000 1.055 197 V CA 1.751 63.967 62.300 -0.141 0.000 1.038 197 V CB -0.773 30.917 31.823 -0.222 0.000 0.651 197 V HN 0.148 nan 8.190 nan 0.000 0.450 198 V N -1.376 118.344 119.914 -0.323 0.000 2.307 198 V HA -0.225 3.895 4.120 0.000 0.000 0.245 198 V C 2.292 178.324 176.094 -0.104 0.000 1.045 198 V CA 1.968 64.127 62.300 -0.235 0.000 1.024 198 V CB -1.044 30.574 31.823 -0.342 0.000 0.651 198 V HN 0.426 nan 8.190 nan 0.000 0.449 199 K N 0.407 120.742 120.400 -0.108 0.000 2.074 199 K HA -0.113 4.208 4.320 0.000 0.000 0.209 199 K C 2.142 178.715 176.600 -0.046 0.000 1.048 199 K CA 1.949 58.197 56.287 -0.064 0.000 0.926 199 K CB -0.504 31.959 32.500 -0.063 0.000 0.713 199 K HN 0.490 nan 8.250 nan 0.000 0.444 200 V N 0.777 120.673 119.914 -0.029 0.000 2.453 200 V HA -0.163 3.957 4.120 0.000 0.000 0.247 200 V C 2.223 178.297 176.094 -0.033 0.000 1.048 200 V CA 1.809 64.100 62.300 -0.015 0.000 1.049 200 V CB -0.460 31.385 31.823 0.037 0.000 0.672 200 V HN 0.341 nan 8.190 nan 0.000 0.457 201 A N 0.577 123.423 122.820 0.044 0.000 2.019 201 A HA -0.233 4.087 4.320 0.000 0.000 0.219 201 A C 2.196 179.736 177.584 -0.072 0.000 1.164 201 A CA 2.170 54.238 52.037 0.051 0.000 0.644 201 A CB -0.389 18.742 19.000 0.220 0.000 0.805 201 A HN 0.526 nan 8.150 nan 0.000 0.449 202 K N 0.437 120.805 120.400 -0.054 0.000 2.031 202 K HA -0.047 4.274 4.320 0.000 0.000 0.205 202 K C 1.779 178.317 176.600 -0.104 0.000 1.049 202 K CA 1.941 58.194 56.287 -0.057 0.000 0.939 202 K CB -0.310 32.172 32.500 -0.028 0.000 0.717 202 K HN 0.386 nan 8.250 nan 0.000 0.438 203 K N 0.219 120.550 120.400 -0.115 0.000 2.148 203 K HA -0.004 4.316 4.320 0.000 0.000 0.204 203 K C 1.843 178.319 176.600 -0.207 0.000 1.050 203 K CA 1.374 57.584 56.287 -0.127 0.000 0.942 203 K CB -0.117 32.324 32.500 -0.099 0.000 0.724 203 K HN 0.165 nan 8.250 nan 0.000 0.446 204 L N -0.188 120.824 121.223 -0.352 0.000 2.552 204 L HA 0.055 4.395 4.340 0.000 0.000 0.227 204 L C 0.969 177.484 176.870 -0.591 0.000 1.146 204 L CA 0.407 54.884 54.840 -0.604 0.000 0.858 204 L CB -0.291 41.080 42.059 -1.146 0.000 0.969 204 L HN 0.407 nan 8.230 nan 0.000 0.451 205 G N -0.718 107.870 108.800 -0.353 0.000 2.225 205 G HA2 -0.306 3.654 3.960 0.000 0.000 0.264 205 G HA3 -0.306 3.654 3.960 0.000 0.000 0.264 205 G C 0.113 174.982 174.900 -0.052 0.000 1.060 205 G CA -0.062 44.939 45.100 -0.166 0.000 0.833 205 G HN 0.288 nan 8.290 nan 0.000 0.498 206 Y N -0.084 120.146 120.300 -0.116 0.000 2.457 206 Y HA 0.473 5.024 4.550 0.000 0.000 0.263 206 Y C 1.625 177.483 175.900 -0.070 0.000 1.164 206 Y CA 0.082 58.095 58.100 -0.146 0.000 1.274 206 Y CB 0.422 38.681 38.460 -0.334 0.000 1.097 206 Y HN 0.292 nan 8.280 nan 0.000 0.523 207 T N -0.085 114.523 114.554 0.090 0.000 2.896 207 T HA 0.312 4.663 4.350 0.000 0.000 0.297 207 T C -0.404 174.318 174.700 0.037 0.000 1.108 207 T CA -0.766 61.372 62.100 0.063 0.000 1.004 207 T CB 1.267 70.165 68.868 0.050 0.000 1.159 207 T HN -0.150 nan 8.240 nan 0.000 0.499 208 E N 2.824 123.043 120.200 0.031 0.000 2.442 208 E HA 0.067 4.417 4.350 0.000 0.000 0.260 208 E C -1.349 175.257 176.600 0.011 0.000 1.148 208 E CA -1.262 55.150 56.400 0.020 0.000 0.976 208 E CB 0.385 30.093 29.700 0.013 0.000 0.967 208 E HN 0.457 nan 8.360 nan 0.000 0.454 209 P HA -0.182 nan 4.420 nan 0.000 0.216 209 P C 0.283 177.586 177.300 0.004 0.000 1.150 209 P CA 1.412 64.514 63.100 0.003 0.000 0.843 209 P CB 0.326 32.028 31.700 0.002 0.000 0.787 210 D N -0.335 120.064 120.400 -0.002 0.000 2.461 210 D HA 0.143 4.783 4.640 0.000 0.000 0.240 210 D C -1.510 174.779 176.300 -0.019 0.000 1.094 210 D CA -2.675 51.320 54.000 -0.009 0.000 0.868 210 D CB 1.188 41.968 40.800 -0.034 0.000 1.062 210 D HN -0.019 nan 8.370 nan 0.000 0.530 211 P HA -0.169 nan 4.420 nan 0.000 0.222 211 P C 1.185 178.463 177.300 -0.037 0.000 1.142 211 P CA 0.592 63.703 63.100 0.019 0.000 0.788 211 P CB 0.475 32.217 31.700 0.071 0.000 0.767 212 R N -0.020 120.381 120.500 -0.165 0.000 2.159 212 R HA -0.111 4.229 4.340 0.000 0.000 0.237 212 R C 1.762 177.962 176.300 -0.167 0.000 1.131 212 R CA 1.331 57.235 56.100 -0.327 0.000 0.982 212 R CB -0.535 29.425 30.300 -0.567 0.000 0.868 212 R HN 0.227 nan 8.270 nan 0.000 0.453 213 D N 0.032 120.371 120.400 -0.101 0.000 2.371 213 D HA -0.088 4.552 4.640 0.000 0.000 0.221 213 D C 0.670 176.956 176.300 -0.024 0.000 0.986 213 D CA 0.928 54.896 54.000 -0.054 0.000 0.899 213 D CB 0.149 40.929 40.800 -0.032 0.000 0.902 213 D HN 0.278 nan 8.370 nan 0.000 0.530 214 D N -0.338 120.048 120.400 -0.023 0.000 2.463 214 D HA 0.083 4.723 4.640 0.000 0.000 0.237 214 D C 2.314 178.591 176.300 -0.039 0.000 1.013 214 D CA -0.050 53.946 54.000 -0.006 0.000 0.910 214 D CB 0.465 41.275 40.800 0.017 0.000 1.080 214 D HN 0.179 nan 8.370 nan 0.000 0.498 215 L N 1.804 123.010 121.223 -0.029 0.000 2.217 215 L HA -0.133 4.207 4.340 0.000 0.000 0.211 215 L C 1.677 178.527 176.870 -0.033 0.000 1.107 215 L CA 0.818 55.648 54.840 -0.016 0.000 0.783 215 L CB -0.457 41.654 42.059 0.086 0.000 0.919 215 L HN 0.038 nan 8.230 nan 0.000 0.442 216 N N 0.397 119.075 118.700 -0.038 0.000 2.573 216 N HA -0.087 4.653 4.740 0.000 0.000 0.187 216 N C 1.379 176.918 175.510 0.048 0.000 1.107 216 N CA 0.916 53.960 53.050 -0.009 0.000 0.918 216 N CB -0.484 37.981 38.487 -0.037 0.000 0.966 216 N HN 0.227 nan 8.380 nan 0.000 0.448 217 G N -0.239 108.582 108.800 0.035 0.000 2.180 217 G HA2 -0.337 3.624 3.960 0.000 0.000 0.263 217 G HA3 -0.337 3.624 3.960 0.000 0.000 0.263 217 G C 0.647 175.654 174.900 0.178 0.000 0.989 217 G CA 0.612 45.808 45.100 0.159 0.000 0.692 217 G HN 0.463 nan 8.290 nan 0.000 0.526 218 L N 0.395 121.671 121.223 0.089 0.000 2.093 218 L HA 0.162 4.503 4.340 0.000 0.000 0.208 218 L C 2.066 178.994 176.870 0.096 0.000 1.085 218 L CA 2.935 57.816 54.840 0.068 0.000 0.755 218 L CB -0.496 41.578 42.059 0.025 0.000 0.904 218 L HN 0.259 nan 8.230 nan 0.000 0.435 219 D N -1.025 119.436 120.400 0.101 0.000 2.117 219 D HA -0.178 4.462 4.640 0.000 0.000 0.197 219 D C 2.315 178.705 176.300 0.150 0.000 0.987 219 D CA 1.747 55.814 54.000 0.111 0.000 0.829 219 D CB 0.025 40.885 40.800 0.098 0.000 0.961 219 D HN 0.338 nan 8.370 nan 0.000 0.460 220 V N -1.335 118.711 119.914 0.220 0.000 2.515 220 V HA -0.046 4.075 4.120 0.000 0.000 0.250 220 V C 2.163 178.393 176.094 0.226 0.000 1.058 220 V CA 1.556 64.024 62.300 0.281 0.000 1.064 220 V CB -0.974 31.121 31.823 0.454 0.000 0.675 220 V HN 0.180 nan 8.190 nan 0.000 0.461 221 A N 0.280 123.252 122.820 0.254 0.000 1.969 221 A HA -0.081 4.240 4.320 0.000 0.000 0.218 221 A C 2.362 180.100 177.584 0.257 0.000 1.169 221 A CA 1.418 53.655 52.037 0.333 0.000 0.635 221 A CB -0.526 18.593 19.000 0.198 0.000 0.810 221 A HN 0.479 nan 8.150 nan 0.000 0.445 222 R N 0.193 120.780 120.500 0.146 0.000 2.073 222 R HA -0.074 4.266 4.340 0.000 0.000 0.234 222 R C 1.886 178.218 176.300 0.053 0.000 1.134 222 R CA 1.753 57.916 56.100 0.106 0.000 0.952 222 R CB -0.517 29.840 30.300 0.096 0.000 0.850 222 R HN 0.595 nan 8.270 nan 0.000 0.433 223 K N 0.121 120.510 120.400 -0.018 0.000 2.217 223 K HA 0.001 4.321 4.320 0.000 0.000 0.202 223 K C 2.022 178.402 176.600 -0.368 0.000 1.051 223 K CA 0.701 56.872 56.287 -0.193 0.000 0.952 223 K CB 0.069 32.395 32.500 -0.290 0.000 0.736 223 K HN -0.055 nan 8.250 nan 0.000 0.453 224 V N 1.040 120.794 119.914 -0.267 0.000 2.453 224 V HA -0.194 3.927 4.120 0.000 0.000 0.247 224 V C 2.012 177.965 176.094 -0.235 0.000 1.048 224 V CA 1.849 63.981 62.300 -0.280 0.000 1.049 224 V CB -0.461 31.276 31.823 -0.143 0.000 0.672 224 V HN 0.339 nan 8.190 nan 0.000 0.457 225 T N 0.371 114.866 114.554 -0.098 0.000 2.788 225 T HA -0.075 4.275 4.350 0.000 0.000 0.268 225 T C 1.790 176.350 174.700 -0.233 0.000 1.044 225 T CA 1.553 63.593 62.100 -0.100 0.000 1.139 225 T CB -0.203 68.698 68.868 0.054 0.000 0.867 225 T HN 0.354 nan 8.240 nan 0.000 0.454 226 I N 0.445 120.920 120.570 -0.159 0.000 2.193 226 I HA -0.117 4.054 4.170 0.000 0.000 0.240 226 I C 2.463 178.495 176.117 -0.141 0.000 1.084 226 I CA 0.848 62.074 61.300 -0.123 0.000 1.365 226 I CB -0.472 37.595 38.000 0.111 0.000 1.064 226 I HN 0.066 nan 8.210 nan 0.000 0.410 227 V N 1.255 121.075 119.914 -0.157 0.000 2.295 227 V HA -0.232 3.888 4.120 0.000 0.000 0.246 227 V C 2.634 178.654 176.094 -0.124 0.000 1.049 227 V CA 2.298 64.527 62.300 -0.118 0.000 1.024 227 V CB -1.474 30.247 31.823 -0.169 0.000 0.648 227 V HN 0.587 nan 8.190 nan 0.000 0.447 228 G N -0.398 108.288 108.800 -0.189 0.000 2.440 228 G HA2 -0.263 3.697 3.960 0.000 0.000 0.218 228 G HA3 -0.263 3.697 3.960 0.000 0.000 0.218 228 G C 1.754 176.529 174.900 -0.208 0.000 1.154 228 G CA 0.863 45.848 45.100 -0.192 0.000 0.767 228 G HN 0.445 nan 8.290 nan 0.000 0.552 229 R N -0.184 120.117 120.500 -0.332 0.000 2.066 229 R HA 0.086 4.426 4.340 0.000 0.000 0.232 229 R C 2.603 178.805 176.300 -0.164 0.000 1.131 229 R CA 1.079 56.920 56.100 -0.432 0.000 0.955 229 R CB -0.406 29.221 30.300 -1.122 0.000 0.851 229 R HN 0.369 nan 8.270 nan 0.000 0.432 230 I N 0.516 121.059 120.570 -0.045 0.000 2.335 230 I HA -0.248 3.922 4.170 0.000 0.000 0.251 230 I C 1.529 177.667 176.117 0.036 0.000 1.129 230 I CA 1.190 62.560 61.300 0.117 0.000 1.402 230 I CB -0.118 37.968 38.000 0.144 0.000 1.069 230 I HN 0.063 nan 8.210 nan 0.000 0.424 231 S N 0.275 115.964 115.700 -0.019 0.000 2.650 231 S HA 0.150 4.620 4.470 0.000 0.000 0.219 231 S C 1.439 176.022 174.600 -0.029 0.000 0.960 231 S CA 0.733 58.920 58.200 -0.022 0.000 0.925 231 S CB 0.140 63.322 63.200 -0.031 0.000 0.775 231 S HN 0.726 nan 8.310 nan 0.000 0.525 232 G N 0.690 109.471 108.800 -0.032 0.000 2.141 232 G HA2 -0.227 3.733 3.960 0.000 0.000 0.242 232 G HA3 -0.227 3.733 3.960 0.000 0.000 0.242 232 G C -0.013 174.855 174.900 -0.053 0.000 0.982 232 G CA -0.056 45.027 45.100 -0.030 0.000 0.662 232 G HN 0.417 nan 8.290 nan 0.000 0.527 233 V N 1.579 121.441 119.914 -0.087 0.000 2.328 233 V HA 0.365 4.486 4.120 0.000 0.000 0.278 233 V C 0.403 176.418 176.094 -0.132 0.000 1.021 233 V CA -0.919 61.322 62.300 -0.098 0.000 0.838 233 V CB 1.615 33.370 31.823 -0.114 0.000 0.999 233 V HN 0.263 nan 8.190 nan 0.000 0.447 234 E N 3.628 123.768 120.200 -0.100 0.000 2.614 234 E HA 0.051 4.401 4.350 0.000 0.000 0.321 234 E C 0.106 176.647 176.600 -0.099 0.000 1.354 234 E CA -0.067 56.268 56.400 -0.108 0.000 1.469 234 E CB 0.144 29.811 29.700 -0.055 0.000 1.197 234 E HN 0.475 nan 8.360 nan 0.000 0.497 235 V N 2.826 122.659 119.914 -0.135 0.000 2.509 235 V HA -0.122 3.998 4.120 0.000 0.000 0.297 235 V C 1.810 177.889 176.094 -0.025 0.000 1.014 235 V CA 0.280 62.542 62.300 -0.063 0.000 1.127 235 V CB 0.434 32.207 31.823 -0.084 0.000 0.925 235 V HN 0.339 nan 8.190 nan 0.000 0.480 236 E N 2.912 123.129 120.200 0.029 0.000 2.058 236 E HA -0.094 4.257 4.350 0.000 0.000 0.194 236 E C 1.014 177.632 176.600 0.029 0.000 0.997 236 E CA 1.469 57.883 56.400 0.023 0.000 0.801 236 E CB 0.079 29.796 29.700 0.029 0.000 0.746 236 E HN 0.946 nan 8.360 nan 0.000 0.450 237 S N -2.342 113.396 115.700 0.062 0.000 2.636 237 S HA 0.255 4.726 4.470 0.000 0.000 0.266 237 S C -2.686 171.958 174.600 0.074 0.000 1.147 237 S CA -0.913 57.315 58.200 0.045 0.000 0.815 237 S CB 1.831 65.031 63.200 -0.001 0.000 1.119 237 S HN -0.190 nan 8.310 nan 0.000 0.470 238 P HA 0.122 nan 4.420 nan 0.000 0.247 238 P C 0.780 177.785 177.300 -0.493 0.000 1.225 238 P CA 0.921 63.978 63.100 -0.072 0.000 0.768 238 P CB -0.438 31.275 31.700 0.022 0.000 1.020 239 T N -4.677 109.644 114.554 -0.390 0.000 3.231 239 T HA 0.136 4.486 4.350 0.000 0.000 0.292 239 T C 0.925 175.430 174.700 -0.326 0.000 1.001 239 T CA 0.023 61.888 62.100 -0.393 0.000 0.920 239 T CB -0.736 68.017 68.868 -0.192 0.000 1.140 239 T HN 0.046 nan 8.240 nan 0.000 0.525 240 S N 1.060 116.579 115.700 -0.301 0.000 2.583 240 S HA 0.569 5.039 4.470 0.000 0.000 0.239 240 S C -0.054 174.580 174.600 0.057 0.000 0.966 240 S CA -0.930 57.227 58.200 -0.070 0.000 0.973 240 S CB -1.013 62.210 63.200 0.038 0.000 0.794 240 S HN 0.655 nan 8.310 nan 0.000 0.463 241 F N -2.532 117.414 119.950 -0.008 0.000 2.713 241 F HA 0.784 5.311 4.527 0.000 0.000 0.311 241 F C -3.470 172.330 175.800 0.000 0.000 1.141 241 F CA -2.739 55.256 58.000 -0.008 0.000 0.939 241 F CB -0.327 38.664 39.000 -0.015 0.000 1.325 241 F HN -0.262 nan 8.300 nan 0.000 0.453 242 P HA 0.273 nan 4.420 nan 0.000 0.261 242 P C -1.108 176.309 177.300 0.194 0.000 1.183 242 P CA 0.015 63.208 63.100 0.154 0.000 0.761 242 P CB 0.817 32.592 31.700 0.125 0.000 0.785 243 V N 4.272 124.231 119.914 0.075 0.000 2.488 243 V HA 0.206 4.326 4.120 0.000 0.000 0.293 243 V C -0.068 176.088 176.094 0.104 0.000 1.027 243 V CA -0.618 61.741 62.300 0.099 0.000 0.862 243 V CB 1.660 33.491 31.823 0.014 0.000 1.008 243 V HN 0.472 nan 8.190 nan 0.000 0.428 244 Q N 3.250 123.129 119.800 0.132 0.000 2.307 244 Q HA 0.423 4.763 4.340 0.000 0.000 0.259 244 Q C -0.003 176.166 176.000 0.282 0.000 0.998 244 Q CA 0.094 55.994 55.803 0.163 0.000 0.923 244 Q CB 1.138 29.949 28.738 0.122 0.000 1.196 244 Q HN 0.757 nan 8.270 nan 0.000 0.416 245 S N 3.956 119.763 115.700 0.178 0.000 2.562 245 S HA 0.278 4.748 4.470 0.000 0.000 0.275 245 S C 0.628 175.315 174.600 0.146 0.000 1.281 245 S CA -0.612 57.678 58.200 0.150 0.000 1.045 245 S CB 0.551 63.794 63.200 0.072 0.000 0.962 245 S HN 0.836 nan 8.310 nan 0.000 0.503 246 L N 4.311 125.608 121.223 0.125 0.000 2.640 246 L HA 0.364 4.704 4.340 0.000 0.000 0.230 246 L C -0.057 176.889 176.870 0.126 0.000 1.123 246 L CA 0.037 54.945 54.840 0.113 0.000 0.900 246 L CB 0.005 42.143 42.059 0.132 0.000 1.146 246 L HN 0.598 nan 8.230 nan 0.000 0.484 247 I N 2.183 122.816 120.570 0.105 0.000 2.421 247 I HA 0.122 4.292 4.170 0.000 0.000 0.291 247 I C -1.847 174.311 176.117 0.068 0.000 1.089 247 I CA -1.830 59.558 61.300 0.147 0.000 1.354 247 I CB 0.305 38.295 38.000 -0.018 0.000 1.413 247 I HN -0.212 nan 8.210 nan 0.000 0.513 248 P HA -0.151 nan 4.420 nan 0.000 0.255 248 P C -0.069 177.134 177.300 -0.162 0.000 1.141 248 P CA 0.500 63.463 63.100 -0.228 0.000 0.767 248 P CB 0.165 31.379 31.700 -0.810 0.000 0.726 249 K N 4.616 124.987 120.400 -0.048 0.000 2.716 249 K HA -0.229 4.091 4.320 0.000 0.000 0.122 249 K C -1.804 174.797 176.600 0.001 0.000 1.284 249 K CA 1.146 57.438 56.287 0.008 0.000 0.856 249 K CB -2.416 30.122 32.500 0.063 0.000 0.491 249 K HN 0.362 nan 8.250 nan 0.000 1.061 250 P HA 0.103 nan 4.420 nan 0.000 0.231 250 P C -0.874 176.442 177.300 0.027 0.000 1.756 250 P CA 0.534 63.647 63.100 0.022 0.000 0.990 250 P CB -0.059 31.659 31.700 0.030 0.000 1.973 251 L N 0.551 121.774 121.223 0.001 0.000 3.165 251 L HA 0.215 4.555 4.340 0.000 0.000 0.327 251 L C 1.345 178.226 176.870 0.019 0.000 1.294 251 L CA 0.004 54.849 54.840 0.008 0.000 0.838 251 L CB 0.246 42.292 42.059 -0.021 0.000 1.274 251 L HN 0.018 nan 8.230 nan 0.000 0.590 252 E N -1.806 118.404 120.200 0.017 0.000 2.357 252 E HA 0.170 4.520 4.350 0.000 0.000 0.202 252 E C 0.574 177.165 176.600 -0.015 0.000 0.855 252 E CA 0.292 56.694 56.400 0.004 0.000 1.048 252 E CB -0.030 29.643 29.700 -0.045 0.000 1.037 252 E HN 0.145 nan 8.360 nan 0.000 0.499 253 S N 1.320 117.013 115.700 -0.011 0.000 4.053 253 S HA 0.282 4.752 4.470 0.000 0.000 0.184 253 S C 0.490 175.095 174.600 0.008 0.000 1.324 253 S CA 0.027 58.220 58.200 -0.011 0.000 0.956 253 S CB -0.165 63.029 63.200 -0.009 0.000 1.503 253 S HN 0.238 nan 8.310 nan 0.000 0.440 254 V N -0.495 119.430 119.914 0.019 0.000 5.573 254 V HA 0.136 4.256 4.120 0.000 0.000 0.108 254 V C -0.171 175.948 176.094 0.041 0.000 1.080 254 V CA -0.689 61.632 62.300 0.034 0.000 1.086 254 V CB -0.501 31.353 31.823 0.051 0.000 1.574 254 V HN 0.216 nan 8.190 nan 0.000 0.634 255 K N 2.125 122.568 120.400 0.071 0.000 2.619 255 K HA -0.042 4.278 4.320 0.000 0.000 0.278 255 K C 0.822 177.455 176.600 0.055 0.000 0.969 255 K CA 0.695 57.034 56.287 0.086 0.000 1.042 255 K CB -0.273 32.327 32.500 0.168 0.000 0.845 255 K HN 0.502 nan 8.250 nan 0.000 0.497 256 S N 1.038 116.769 115.700 0.052 0.000 2.803 256 S HA 0.195 4.665 4.470 0.000 0.000 0.228 256 S C 1.001 175.621 174.600 0.035 0.000 0.953 256 S CA 0.334 58.555 58.200 0.034 0.000 0.983 256 S CB -0.400 62.817 63.200 0.029 0.000 0.784 256 S HN 0.718 nan 8.310 nan 0.000 0.498 257 A N 1.995 124.845 122.820 0.050 0.000 1.823 257 A HA -0.238 4.082 4.320 0.000 0.000 0.275 257 A C 1.359 179.006 177.584 0.104 0.000 2.239 257 A CA 0.591 52.657 52.037 0.049 0.000 1.062 257 A CB -1.787 17.224 19.000 0.018 0.000 1.438 257 A HN 0.432 nan 8.150 nan 0.000 0.699 258 D N 0.349 120.792 120.400 0.071 0.000 2.311 258 D HA -0.114 4.527 4.640 0.000 0.000 0.212 258 D C 1.502 177.852 176.300 0.083 0.000 0.972 258 D CA 1.757 55.800 54.000 0.072 0.000 0.887 258 D CB -0.056 40.768 40.800 0.040 0.000 0.915 258 D HN 0.596 nan 8.370 nan 0.000 0.497 259 E N -0.483 119.773 120.200 0.093 0.000 2.106 259 E HA -0.168 4.182 4.350 0.000 0.000 0.192 259 E C 1.899 178.567 176.600 0.113 0.000 0.984 259 E CA 0.651 57.102 56.400 0.085 0.000 0.806 259 E CB -0.704 29.045 29.700 0.081 0.000 0.750 259 E HN 0.253 nan 8.360 nan 0.000 0.458 260 F N 1.089 121.040 119.950 0.002 0.000 2.043 260 F HA -0.243 4.284 4.527 0.000 0.000 0.297 260 F C 1.921 177.723 175.800 0.004 0.000 1.118 260 F CA 2.023 60.021 58.000 -0.003 0.000 1.202 260 F CB -0.624 38.367 39.000 -0.014 0.000 0.965 260 F HN 0.082 nan 8.300 nan 0.000 0.482 261 L N -0.076 121.151 121.223 0.006 0.000 2.043 261 L HA -0.256 4.084 4.340 0.000 0.000 0.212 261 L C 2.430 179.220 176.870 -0.133 0.000 1.075 261 L CA 1.995 56.767 54.840 -0.114 0.000 0.752 261 L CB -0.759 41.303 42.059 0.005 0.000 0.891 261 L HN 0.232 nan 8.230 nan 0.000 0.432 262 E N 0.072 120.234 120.200 -0.063 0.000 2.208 262 E HA -0.184 4.166 4.350 0.000 0.000 0.193 262 E C 1.941 178.511 176.600 -0.050 0.000 0.988 262 E CA 1.051 57.425 56.400 -0.044 0.000 0.828 262 E CB 0.110 29.803 29.700 -0.011 0.000 0.763 262 E HN 0.029 nan 8.360 nan 0.000 0.478 263 K N -0.116 120.240 120.400 -0.073 0.000 2.374 263 K HA 0.082 4.402 4.320 0.000 0.000 0.196 263 K C 1.512 178.092 176.600 -0.032 0.000 1.023 263 K CA -0.040 56.234 56.287 -0.021 0.000 1.103 263 K CB 0.095 32.613 32.500 0.030 0.000 0.848 263 K HN 0.215 nan 8.250 nan 0.000 0.528 264 L N 1.473 122.564 121.223 -0.220 0.000 2.093 264 L HA -0.098 4.242 4.340 0.000 0.000 0.208 264 L C 1.783 178.661 176.870 0.013 0.000 1.085 264 L CA 1.907 56.601 54.840 -0.243 0.000 0.755 264 L CB -0.750 41.019 42.059 -0.483 0.000 0.904 264 L HN 0.124 nan 8.230 nan 0.000 0.435 265 S N -1.718 113.972 115.700 -0.016 0.000 2.528 265 S HA -0.161 4.309 4.470 0.000 0.000 0.244 265 S C 1.357 175.975 174.600 0.029 0.000 0.982 265 S CA 1.152 59.361 58.200 0.014 0.000 0.953 265 S CB -0.762 62.431 63.200 -0.012 0.000 0.754 265 S HN 0.500 nan 8.310 nan 0.000 0.529 266 D N 0.165 120.598 120.400 0.055 0.000 2.347 266 D HA 0.099 4.739 4.640 0.000 0.000 0.213 266 D C 0.141 176.269 176.300 -0.287 0.000 0.985 266 D CA 0.661 54.590 54.000 -0.118 0.000 0.879 266 D CB -0.084 40.592 40.800 -0.206 0.000 0.919 266 D HN 0.636 nan 8.370 nan 0.000 0.526 267 Y N -0.082 120.205 120.300 -0.022 0.000 2.641 267 Y HA 0.195 4.745 4.550 0.000 0.000 0.248 267 Y C 1.033 176.929 175.900 -0.006 0.000 1.170 267 Y CA -0.669 57.424 58.100 -0.011 0.000 1.201 267 Y CB 0.378 38.830 38.460 -0.013 0.000 1.232 267 Y HN -0.185 nan 8.280 nan 0.000 0.537 268 D N 0.791 121.269 120.400 0.129 0.000 2.384 268 D HA -0.111 4.530 4.640 0.000 0.000 0.222 268 D C 1.471 177.827 176.300 0.095 0.000 0.976 268 D CA 0.780 54.846 54.000 0.110 0.000 0.915 268 D CB 0.256 41.126 40.800 0.118 0.000 0.896 268 D HN 0.439 nan 8.370 nan 0.000 0.523 269 K N 0.684 121.124 120.400 0.068 0.000 1.985 269 K HA -0.119 4.201 4.320 0.000 0.000 0.210 269 K C 1.593 178.233 176.600 0.067 0.000 1.047 269 K CA 0.978 57.298 56.287 0.055 0.000 0.932 269 K CB -0.007 32.505 32.500 0.020 0.000 0.716 269 K HN 0.077 nan 8.250 nan 0.000 0.439 270 D N 1.282 121.720 120.400 0.064 0.000 2.106 270 D HA -0.184 4.456 4.640 0.000 0.000 0.191 270 D C 2.090 178.434 176.300 0.073 0.000 0.997 270 D CA 1.280 55.316 54.000 0.060 0.000 0.834 270 D CB -0.281 40.554 40.800 0.058 0.000 0.956 270 D HN 0.133 nan 8.370 nan 0.000 0.448 271 L N 0.668 121.924 121.223 0.056 0.000 2.093 271 L HA -0.124 4.217 4.340 0.000 0.000 0.208 271 L C 2.636 179.695 176.870 0.316 0.000 1.085 271 L CA 0.956 55.871 54.840 0.126 0.000 0.755 271 L CB -0.465 41.504 42.059 -0.150 0.000 0.904 271 L HN 0.012 nan 8.230 nan 0.000 0.435 272 T N -0.903 113.810 114.554 0.264 0.000 2.788 272 T HA -0.225 4.125 4.350 0.000 0.000 0.268 272 T C 1.880 176.653 174.700 0.121 0.000 1.044 272 T CA 1.288 63.528 62.100 0.234 0.000 1.139 272 T CB -0.082 68.885 68.868 0.165 0.000 0.867 272 T HN 0.386 nan 8.240 nan 0.000 0.454 273 Q N 0.047 119.905 119.800 0.098 0.000 1.990 273 Q HA -0.044 4.297 4.340 0.000 0.000 0.200 273 Q C 2.383 178.419 176.000 0.060 0.000 0.980 273 Q CA 1.136 56.977 55.803 0.062 0.000 0.832 273 Q CB -0.405 28.364 28.738 0.052 0.000 0.897 273 Q HN 0.304 nan 8.270 nan 0.000 0.427 274 L N 1.713 122.985 121.223 0.082 0.000 2.013 274 L HA -0.272 4.068 4.340 0.000 0.000 0.212 274 L C 2.310 179.222 176.870 0.069 0.000 1.073 274 L CA 2.022 56.911 54.840 0.082 0.000 0.753 274 L CB -0.577 41.554 42.059 0.119 0.000 0.890 274 L HN 0.120 nan 8.230 nan 0.000 0.432 275 K N -0.243 120.201 120.400 0.073 0.000 2.001 275 K HA -0.323 3.997 4.320 0.000 0.000 0.214 275 K C 2.358 178.931 176.600 -0.045 0.000 1.050 275 K CA 2.373 58.625 56.287 -0.058 0.000 0.934 275 K CB -0.342 31.984 32.500 -0.289 0.000 0.718 275 K HN 0.379 nan 8.250 nan 0.000 0.443 276 K N 0.894 121.281 120.400 -0.020 0.000 2.044 276 K HA -0.249 4.071 4.320 0.000 0.000 0.210 276 K C 2.165 178.766 176.600 0.001 0.000 1.049 276 K CA 2.100 58.382 56.287 -0.008 0.000 0.927 276 K CB -0.186 32.318 32.500 0.006 0.000 0.713 276 K HN 0.324 nan 8.250 nan 0.000 0.443 277 E N -0.090 120.114 120.200 0.007 0.000 2.049 277 E HA -0.275 4.075 4.350 0.000 0.000 0.198 277 E C 1.843 178.438 176.600 -0.008 0.000 1.007 277 E CA 1.488 57.889 56.400 0.002 0.000 0.809 277 E CB -0.270 29.434 29.700 0.006 0.000 0.749 277 E HN 0.455 nan 8.360 nan 0.000 0.450 278 A N 1.231 124.049 122.820 -0.003 0.000 1.883 278 A HA -0.185 4.136 4.320 0.000 0.000 0.217 278 A C 2.439 180.013 177.584 -0.017 0.000 1.186 278 A CA 2.334 54.363 52.037 -0.013 0.000 0.624 278 A CB -0.954 18.057 19.000 0.019 0.000 0.822 278 A HN 0.467 nan 8.150 nan 0.000 0.444 279 A N -1.647 121.185 122.820 0.020 0.000 1.908 279 A HA -0.136 4.184 4.320 0.000 0.000 0.218 279 A C 2.315 179.917 177.584 0.031 0.000 1.181 279 A CA 2.377 54.455 52.037 0.068 0.000 0.627 279 A CB -1.351 17.684 19.000 0.058 0.000 0.818 279 A HN 0.424 nan 8.150 nan 0.000 0.445 280 T N -0.218 114.339 114.554 0.004 0.000 2.803 280 T HA -0.122 4.228 4.350 0.000 0.000 0.269 280 T C 1.323 176.004 174.700 -0.033 0.000 1.052 280 T CA 1.768 63.865 62.100 -0.006 0.000 1.136 280 T CB -0.268 68.595 68.868 -0.007 0.000 0.864 280 T HN 0.707 nan 8.240 nan 0.000 0.467 281 E N 0.430 120.592 120.200 -0.064 0.000 2.444 281 E HA 0.174 4.524 4.350 0.000 0.000 0.191 281 E C 0.276 176.757 176.600 -0.199 0.000 1.041 281 E CA -0.253 56.086 56.400 -0.103 0.000 0.883 281 E CB 0.163 29.807 29.700 -0.095 0.000 1.024 281 E HN 0.303 nan 8.360 nan 0.000 0.470 282 N N 1.263 119.804 118.700 -0.263 0.000 2.741 282 N HA -0.175 4.565 4.740 0.000 0.000 0.250 282 N C -1.164 173.672 175.510 -1.123 0.000 1.115 282 N CA 1.044 53.682 53.050 -0.687 0.000 0.724 282 N CB -0.641 37.581 38.487 -0.442 0.000 1.090 282 N HN 0.152 nan 8.380 nan 0.000 0.558 283 K N -0.662 119.406 120.400 -0.555 0.000 2.295 283 K HA 0.763 5.083 4.320 0.000 0.000 0.239 283 K C -0.636 175.971 176.600 0.011 0.000 0.991 283 K CA -0.848 55.263 56.287 -0.294 0.000 0.845 283 K CB 2.787 35.194 32.500 -0.155 0.000 1.197 283 K HN -0.070 nan 8.250 nan 0.000 0.441 284 V N 2.112 122.123 119.914 0.161 0.000 2.960 284 V HA 0.477 4.598 4.120 0.000 0.000 0.315 284 V C -1.229 174.998 176.094 0.222 0.000 1.087 284 V CA -0.997 61.454 62.300 0.252 0.000 0.982 284 V CB 1.682 33.700 31.823 0.325 0.000 1.039 284 V HN 0.547 nan 8.190 nan 0.000 0.437 285 L N 6.122 127.498 121.223 0.256 0.000 2.307 285 L HA 0.718 5.059 4.340 0.000 0.000 0.282 285 L C -0.142 176.948 176.870 0.367 0.000 1.051 285 L CA -0.628 54.404 54.840 0.320 0.000 0.804 285 L CB 1.216 43.546 42.059 0.451 0.000 1.197 285 L HN 0.554 nan 8.230 nan 0.000 0.431 286 R N 2.424 123.027 120.500 0.171 0.000 2.698 286 R HA 0.382 4.722 4.340 0.000 0.000 0.275 286 R C -1.471 174.651 176.300 -0.296 0.000 1.001 286 R CA -0.737 55.349 56.100 -0.024 0.000 0.896 286 R CB 2.310 32.711 30.300 0.168 0.000 1.218 286 R HN 0.332 nan 8.270 nan 0.000 0.462 287 F N 3.776 123.314 119.950 -0.686 0.000 2.391 287 F HA 0.421 4.949 4.527 0.000 0.000 0.359 287 F C 0.034 175.739 175.800 -0.157 0.000 1.122 287 F CA -0.748 56.967 58.000 -0.475 0.000 1.120 287 F CB 0.419 39.128 39.000 -0.485 0.000 1.142 287 F HN 0.475 nan 8.300 nan 0.000 0.483 288 I N 2.784 123.153 120.570 -0.336 0.000 3.108 288 I HA 0.956 5.126 4.170 0.000 0.000 0.312 288 I C -0.252 175.814 176.117 -0.084 0.000 1.095 288 I CA -0.946 60.282 61.300 -0.120 0.000 1.000 288 I CB 1.717 39.752 38.000 0.059 0.000 1.229 288 I HN 0.553 nan 8.210 nan 0.000 0.454 289 G N 1.177 110.045 108.800 0.114 0.000 2.420 289 G HA2 0.675 4.635 3.960 0.000 0.000 0.331 289 G HA3 0.675 4.635 3.960 0.000 0.000 0.331 289 G C -1.559 173.459 174.900 0.196 0.000 1.168 289 G CA -0.794 44.455 45.100 0.249 0.000 0.936 289 G HN 0.852 nan 8.290 nan 0.000 0.479 290 K N 0.795 121.247 120.400 0.086 0.000 2.501 290 K HA 0.634 4.954 4.320 0.000 0.000 0.252 290 K C -1.721 174.857 176.600 -0.037 0.000 0.934 290 K CA -0.601 55.715 56.287 0.048 0.000 0.797 290 K CB 2.725 35.237 32.500 0.020 0.000 1.270 290 K HN 0.333 nan 8.250 nan 0.000 0.431 291 V N 2.790 122.694 119.914 -0.017 0.000 2.686 291 V HA 0.346 4.466 4.120 0.000 0.000 0.306 291 V C -1.342 174.732 176.094 -0.034 0.000 1.065 291 V CA -0.804 61.456 62.300 -0.067 0.000 0.894 291 V CB 1.908 33.686 31.823 -0.075 0.000 1.004 291 V HN 0.822 nan 8.190 nan 0.000 0.424 292 D N 2.855 123.226 120.400 -0.048 0.000 2.505 292 D HA 0.290 4.930 4.640 0.000 0.000 0.250 292 D C 0.727 177.006 176.300 -0.035 0.000 1.164 292 D CA -0.235 53.748 54.000 -0.029 0.000 0.870 292 D CB 2.386 43.171 40.800 -0.025 0.000 1.160 292 D HN 0.404 nan 8.370 nan 0.000 0.549 293 V N 2.882 122.780 119.914 -0.026 0.000 2.453 293 V HA -0.010 4.110 4.120 0.000 0.000 0.247 293 V C 2.113 178.193 176.094 -0.022 0.000 1.048 293 V CA 1.648 63.931 62.300 -0.029 0.000 1.049 293 V CB -0.749 31.062 31.823 -0.021 0.000 0.672 293 V HN 0.479 nan 8.190 nan 0.000 0.457 294 A N 1.868 124.679 122.820 -0.015 0.000 1.883 294 A HA -0.184 4.136 4.320 0.000 0.000 0.217 294 A C 2.427 180.002 177.584 -0.015 0.000 1.186 294 A CA 2.862 54.891 52.037 -0.012 0.000 0.624 294 A CB -1.349 17.646 19.000 -0.008 0.000 0.822 294 A HN 0.870 nan 8.150 nan 0.000 0.444 295 T N -3.580 110.964 114.554 -0.017 0.000 3.144 295 T HA 0.216 4.566 4.350 0.000 0.000 0.249 295 T C 0.478 175.164 174.700 -0.022 0.000 1.089 295 T CA 0.524 62.614 62.100 -0.017 0.000 0.989 295 T CB -0.481 68.377 68.868 -0.015 0.000 0.992 295 T HN 0.505 nan 8.240 nan 0.000 0.540 296 K N 1.030 121.412 120.400 -0.030 0.000 3.012 296 K HA -0.135 4.186 4.320 0.000 0.000 0.259 296 K C -0.676 175.895 176.600 -0.049 0.000 0.989 296 K CA 0.412 56.674 56.287 -0.041 0.000 0.728 296 K CB -2.038 30.443 32.500 -0.031 0.000 1.260 296 K HN 0.474 nan 8.250 nan 0.000 0.480 297 S N 0.596 116.264 115.700 -0.053 0.000 2.437 297 S HA 0.522 4.992 4.470 0.000 0.000 0.305 297 S C -0.050 174.485 174.600 -0.108 0.000 1.109 297 S CA -0.835 57.330 58.200 -0.058 0.000 1.099 297 S CB 2.266 65.446 63.200 -0.034 0.000 1.004 297 S HN 0.129 nan 8.310 nan 0.000 0.475 298 V N 2.922 122.733 119.914 -0.171 0.000 2.823 298 V HA 0.917 5.037 4.120 0.000 0.000 0.312 298 V C -0.346 175.570 176.094 -0.297 0.000 1.072 298 V CA -0.363 61.731 62.300 -0.343 0.000 0.937 298 V CB 2.111 33.535 31.823 -0.665 0.000 1.013 298 V HN 1.063 nan 8.190 nan 0.000 0.430 299 S N 2.859 118.423 115.700 -0.226 0.000 2.611 299 S HA 0.789 5.259 4.470 0.000 0.000 0.270 299 S C -1.327 173.299 174.600 0.045 0.000 1.131 299 S CA -0.234 57.984 58.200 0.031 0.000 0.826 299 S CB 1.600 64.831 63.200 0.051 0.000 1.095 299 S HN 1.878 nan 8.310 nan 0.000 0.461 300 V N -0.958 119.018 119.914 0.104 0.000 3.049 300 V HA 1.042 5.163 4.120 0.000 0.000 0.309 300 V C 0.016 175.967 176.094 -0.239 0.000 1.148 300 V CA 0.614 62.890 62.300 -0.039 0.000 0.990 300 V CB 1.100 32.989 31.823 0.111 0.000 1.039 300 V HN 2.624 nan 8.190 nan 0.000 0.430 301 G N 2.950 111.345 108.800 -0.674 0.000 2.359 301 G HA2 0.283 4.243 3.960 0.000 0.000 0.293 301 G HA3 0.283 4.243 3.960 0.000 0.000 0.293 301 G C -1.289 173.192 174.900 -0.698 0.000 1.300 301 G CA -0.529 44.125 45.100 -0.743 0.000 0.888 301 G HN 1.105 nan 8.290 nan 0.000 0.541 302 I N 0.672 121.041 120.570 -0.336 0.000 2.634 302 I HA 0.457 4.627 4.170 0.000 0.000 0.284 302 I C 0.516 176.563 176.117 -0.118 0.000 1.124 302 I CA 0.291 61.490 61.300 -0.168 0.000 1.417 302 I CB 1.397 39.426 38.000 0.049 0.000 1.396 302 I HN 0.663 nan 8.210 nan 0.000 0.571 303 E N 5.185 125.334 120.200 -0.085 0.000 2.408 303 E HA 0.432 4.783 4.350 0.000 0.000 0.275 303 E C -1.475 175.000 176.600 -0.209 0.000 0.935 303 E CA -0.892 55.405 56.400 -0.172 0.000 0.775 303 E CB 1.954 31.519 29.700 -0.224 0.000 1.277 303 E HN 0.413 nan 8.360 nan 0.000 0.455 304 K N 1.833 122.001 120.400 -0.387 0.000 2.138 304 K HA 0.446 4.766 4.320 0.000 0.000 0.263 304 K C -1.345 174.876 176.600 -0.632 0.000 0.965 304 K CA -0.551 55.558 56.287 -0.298 0.000 0.868 304 K CB 1.146 33.535 32.500 -0.185 0.000 1.083 304 K HN 0.336 nan 8.250 nan 0.000 0.443 305 Y N 0.112 120.353 120.300 -0.097 0.000 2.492 305 Y HA 0.090 4.640 4.550 0.000 0.000 0.346 305 Y C -0.048 175.819 175.900 -0.056 0.000 0.997 305 Y CA -1.048 56.955 58.100 -0.161 0.000 1.025 305 Y CB 1.648 39.942 38.460 -0.277 0.000 1.263 305 Y HN 0.615 nan 8.280 nan 0.000 0.454 306 D N 1.316 121.778 120.400 0.103 0.000 2.399 306 D HA -0.081 4.559 4.640 0.000 0.000 0.241 306 D C 0.459 176.874 176.300 0.192 0.000 1.133 306 D CA 0.238 54.258 54.000 0.032 0.000 0.890 306 D CB 0.788 41.603 40.800 0.026 0.000 1.201 306 D HN 0.586 nan 8.370 nan 0.000 0.432 307 Y N 1.330 121.689 120.300 0.098 0.000 2.283 307 Y HA -0.237 4.313 4.550 0.000 0.000 0.285 307 Y C 2.631 178.586 175.900 0.091 0.000 1.176 307 Y CA 1.388 59.540 58.100 0.087 0.000 1.229 307 Y CB -1.009 37.483 38.460 0.053 0.000 0.975 307 Y HN 0.395 nan 8.280 nan 0.000 0.537 308 S N -1.441 114.401 115.700 0.237 0.000 2.575 308 S HA -0.028 4.443 4.470 0.000 0.000 0.215 308 S C 0.601 175.278 174.600 0.129 0.000 0.966 308 S CA -0.293 57.995 58.200 0.147 0.000 0.911 308 S CB -0.575 62.680 63.200 0.092 0.000 0.780 308 S HN 0.392 nan 8.310 nan 0.000 0.514 309 H N 2.824 121.952 119.070 0.098 0.000 2.683 309 H HA 0.274 4.831 4.556 0.000 0.000 0.339 309 H C -2.042 173.329 175.328 0.070 0.000 1.081 309 H CA -1.488 54.598 56.048 0.063 0.000 1.432 309 H CB 1.505 31.321 29.762 0.090 0.000 1.462 309 H HN 0.003 nan 8.280 nan 0.000 0.557 310 P HA -0.184 nan 4.420 nan 0.000 0.217 310 P C 0.909 178.449 177.300 0.401 0.000 1.148 310 P CA 1.179 64.390 63.100 0.184 0.000 0.834 310 P CB -0.016 31.738 31.700 0.089 0.000 0.783 311 F N -1.245 118.812 119.950 0.179 0.000 2.802 311 F HA 0.150 4.677 4.527 0.000 0.000 0.300 311 F C 1.972 177.713 175.800 -0.099 0.000 1.168 311 F CA -0.115 57.775 58.000 -0.183 0.000 1.433 311 F CB -1.251 37.250 39.000 -0.831 0.000 1.115 311 F HN -0.074 nan 8.300 nan 0.000 0.582 312 A N -0.987 121.968 122.820 0.225 0.000 2.390 312 A HA 0.197 4.517 4.320 0.000 0.000 0.232 312 A C 1.658 179.312 177.584 0.117 0.000 1.233 312 A CA 0.659 52.806 52.037 0.183 0.000 0.907 312 A CB -0.494 18.660 19.000 0.256 0.000 0.967 312 A HN 0.175 nan 8.150 nan 0.000 0.512 313 S N -0.511 115.244 115.700 0.093 0.000 2.578 313 S HA 0.394 4.864 4.470 0.000 0.000 0.231 313 S C 0.337 174.947 174.600 0.017 0.000 0.994 313 S CA -0.413 57.816 58.200 0.048 0.000 0.956 313 S CB -0.444 62.784 63.200 0.046 0.000 0.870 313 S HN 0.295 nan 8.310 nan 0.000 0.494 314 L N 2.064 123.289 121.223 0.005 0.000 2.439 314 L HA 0.408 4.748 4.340 0.000 0.000 0.269 314 L C 0.152 177.017 176.870 -0.009 0.000 1.179 314 L CA -0.091 54.735 54.840 -0.023 0.000 0.828 314 L CB 0.301 42.326 42.059 -0.058 0.000 1.106 314 L HN 0.132 nan 8.230 nan 0.000 0.467 315 K N 1.604 121.998 120.400 -0.010 0.000 2.259 315 K HA 0.451 4.771 4.320 0.000 0.000 0.252 315 K C 0.560 177.171 176.600 0.019 0.000 0.936 315 K CA 0.061 56.350 56.287 0.002 0.000 0.810 315 K CB 1.663 34.164 32.500 0.003 0.000 1.143 315 K HN 0.775 nan 8.250 nan 0.000 0.427 316 G N 1.976 110.805 108.800 0.048 0.000 2.700 316 G HA2 -0.401 3.559 3.960 0.000 0.000 0.350 316 G HA3 -0.401 3.559 3.960 0.000 0.000 0.350 316 G C 0.937 175.925 174.900 0.146 0.000 1.250 316 G CA 1.158 46.349 45.100 0.152 0.000 0.978 316 G HN 0.542 nan 8.290 nan 0.000 0.551 317 S N 1.211 116.937 115.700 0.044 0.000 2.671 317 S HA 0.214 4.684 4.470 0.000 0.000 0.220 317 S C 0.594 175.193 174.600 -0.001 0.000 0.951 317 S CA 0.814 59.017 58.200 0.006 0.000 0.932 317 S CB -0.532 62.608 63.200 -0.100 0.000 0.777 317 S HN 0.488 nan 8.310 nan 0.000 0.508 318 D N 2.865 123.260 120.400 -0.009 0.000 2.378 318 D HA 0.171 4.811 4.640 0.000 0.000 0.238 318 D C 0.346 176.607 176.300 -0.065 0.000 1.180 318 D CA 0.534 54.511 54.000 -0.037 0.000 0.895 318 D CB 0.414 41.187 40.800 -0.046 0.000 1.192 318 D HN 0.763 nan 8.370 nan 0.000 0.438 319 N N -1.971 116.666 118.700 -0.105 0.000 2.732 319 N HA 0.633 5.374 4.740 0.000 0.000 0.259 319 N C -1.419 173.928 175.510 -0.270 0.000 1.402 319 N CA -0.921 52.015 53.050 -0.191 0.000 0.829 319 N CB 1.890 40.299 38.487 -0.129 0.000 1.495 319 N HN 0.214 nan 8.380 nan 0.000 0.511 320 V N -2.841 116.791 119.914 -0.469 0.000 3.188 320 V HA 0.755 4.875 4.120 0.000 0.000 0.305 320 V C -1.025 174.743 176.094 -0.544 0.000 1.232 320 V CA -0.882 61.136 62.300 -0.471 0.000 1.043 320 V CB 1.931 33.395 31.823 -0.598 0.000 1.068 320 V HN 0.853 nan 8.190 nan 0.000 0.439 321 I N 1.645 122.061 120.570 -0.256 0.000 2.569 321 I HA 0.702 4.872 4.170 0.000 0.000 0.290 321 I C -0.718 175.440 176.117 0.069 0.000 1.088 321 I CA -0.180 61.058 61.300 -0.104 0.000 1.047 321 I CB 2.185 40.223 38.000 0.063 0.000 1.237 321 I HN 0.923 nan 8.210 nan 0.000 0.421 322 S N 7.966 123.779 115.700 0.189 0.000 2.474 322 S HA 0.643 5.113 4.470 0.000 0.000 0.321 322 S C -0.751 173.930 174.600 0.136 0.000 1.080 322 S CA -0.567 57.745 58.200 0.188 0.000 1.106 322 S CB 0.477 63.826 63.200 0.248 0.000 0.984 322 S HN 0.466 nan 8.310 nan 0.000 0.464 323 I N 5.442 126.071 120.570 0.099 0.000 2.354 323 I HA 0.397 4.567 4.170 0.000 0.000 0.286 323 I C -0.066 176.100 176.117 0.081 0.000 1.007 323 I CA -0.578 60.779 61.300 0.094 0.000 1.167 323 I CB 1.454 39.523 38.000 0.116 0.000 1.320 323 I HN 0.356 nan 8.210 nan 0.000 0.458 324 K N 5.314 125.765 120.400 0.086 0.000 2.213 324 K HA 0.568 4.888 4.320 0.000 0.000 0.270 324 K C -0.101 176.562 176.600 0.104 0.000 1.002 324 K CA -0.452 55.894 56.287 0.099 0.000 0.868 324 K CB 2.092 34.636 32.500 0.073 0.000 1.093 324 K HN 0.714 nan 8.250 nan 0.000 0.454 325 T N -1.861 112.786 114.554 0.155 0.000 2.864 325 T HA 0.238 4.588 4.350 0.000 0.000 0.289 325 T C 1.090 175.856 174.700 0.110 0.000 1.082 325 T CA -0.945 61.236 62.100 0.135 0.000 1.009 325 T CB 1.792 70.776 68.868 0.194 0.000 1.234 325 T HN 0.561 nan 8.240 nan 0.000 0.526 326 K N 0.169 120.608 120.400 0.066 0.000 2.074 326 K HA -0.143 4.177 4.320 0.000 0.000 0.209 326 K C 2.189 178.797 176.600 0.014 0.000 1.048 326 K CA 1.490 57.796 56.287 0.032 0.000 0.926 326 K CB -0.096 32.412 32.500 0.014 0.000 0.713 326 K HN 0.577 nan 8.250 nan 0.000 0.444 327 R N -1.219 119.283 120.500 0.004 0.000 2.127 327 R HA -0.011 4.329 4.340 0.000 0.000 0.217 327 R C 0.248 176.435 176.300 -0.189 0.000 1.074 327 R CA 0.606 56.633 56.100 -0.121 0.000 0.991 327 R CB 0.167 30.337 30.300 -0.216 0.000 0.895 327 R HN 0.153 nan 8.270 nan 0.000 0.450 328 Y N 0.595 120.917 120.300 0.037 0.000 2.880 328 Y HA 0.147 4.697 4.550 0.000 0.000 0.329 328 Y C 1.164 177.086 175.900 0.036 0.000 1.156 328 Y CA -0.355 57.774 58.100 0.049 0.000 1.348 328 Y CB 1.081 39.591 38.460 0.083 0.000 1.280 328 Y HN -0.069 nan 8.280 nan 0.000 0.516 329 T N 0.347 114.970 114.554 0.115 0.000 2.759 329 T HA -0.175 4.175 4.350 0.000 0.000 0.269 329 T C 0.531 175.283 174.700 0.087 0.000 1.042 329 T CA 1.200 63.347 62.100 0.078 0.000 1.140 329 T CB -0.267 68.623 68.868 0.037 0.000 0.864 329 T HN 0.523 nan 8.240 nan 0.000 0.455 330 N N 1.622 120.386 118.700 0.107 0.000 2.438 330 N HA 0.284 5.025 4.740 0.000 0.000 0.282 330 N C -2.882 172.703 175.510 0.124 0.000 1.037 330 N CA -1.747 51.355 53.050 0.087 0.000 0.942 330 N CB 1.440 39.969 38.487 0.070 0.000 1.136 330 N HN 0.059 nan 8.380 nan 0.000 0.481 331 P HA -0.018 nan 4.420 nan 0.000 0.269 331 P C -0.711 176.603 177.300 0.023 0.000 1.209 331 P CA -0.427 62.710 63.100 0.062 0.000 0.776 331 P CB 0.593 32.319 31.700 0.043 0.000 0.876 332 V N 1.018 120.903 119.914 -0.049 0.000 2.509 332 V HA 0.531 4.652 4.120 0.000 0.000 0.284 332 V C -0.433 175.620 176.094 -0.069 0.000 1.047 332 V CA -0.584 61.638 62.300 -0.130 0.000 0.952 332 V CB 1.433 33.050 31.823 -0.343 0.000 0.988 332 V HN 0.190 nan 8.190 nan 0.000 0.469 333 V N 6.210 126.086 119.914 -0.063 0.000 2.444 333 V HA 0.518 4.638 4.120 0.000 0.000 0.294 333 V C -0.241 175.814 176.094 -0.065 0.000 1.022 333 V CA -0.449 61.840 62.300 -0.019 0.000 0.850 333 V CB 1.438 33.277 31.823 0.027 0.000 0.992 333 V HN 0.784 nan 8.190 nan 0.000 0.426 334 I N 5.706 126.235 120.570 -0.070 0.000 2.355 334 I HA 0.510 4.680 4.170 0.000 0.000 0.288 334 I C -0.012 176.053 176.117 -0.088 0.000 0.999 334 I CA -0.207 61.037 61.300 -0.095 0.000 1.163 334 I CB 1.518 39.457 38.000 -0.102 0.000 1.316 334 I HN 0.882 nan 8.210 nan 0.000 0.454 335 Q N 5.272 125.022 119.800 -0.084 0.000 2.451 335 Q HA 0.905 5.245 4.340 0.000 0.000 0.281 335 Q C -0.642 175.316 176.000 -0.070 0.000 1.099 335 Q CA -0.900 54.847 55.803 -0.094 0.000 0.806 335 Q CB 3.540 32.222 28.738 -0.094 0.000 1.419 335 Q HN 0.763 nan 8.270 nan 0.000 0.427 336 G N -0.143 108.616 108.800 -0.067 0.000 2.361 336 G HA2 0.400 4.360 3.960 0.000 0.000 0.305 336 G HA3 0.400 4.360 3.960 0.000 0.000 0.305 336 G C -1.281 173.595 174.900 -0.039 0.000 1.367 336 G CA -0.549 44.523 45.100 -0.046 0.000 0.951 336 G HN 0.986 nan 8.290 nan 0.000 0.615 337 A N -0.622 122.182 122.820 -0.027 0.000 2.591 337 A HA 0.482 4.803 4.320 0.000 0.000 0.244 337 A C 1.471 179.048 177.584 -0.011 0.000 1.031 337 A CA 1.677 53.702 52.037 -0.020 0.000 0.767 337 A CB 0.023 19.014 19.000 -0.015 0.000 0.942 337 A HN 2.351 nan 8.150 nan 0.000 0.514 338 G N 1.021 109.818 108.800 -0.005 0.000 3.651 338 G HA2 0.583 4.543 3.960 0.000 0.000 0.279 338 G HA3 0.583 4.543 3.960 0.000 0.000 0.279 338 G C 0.156 175.074 174.900 0.029 0.000 1.024 338 G CA 0.872 45.982 45.100 0.017 0.000 0.813 338 G HN 1.636 nan 8.290 nan 0.000 0.518 339 A N -1.123 121.706 122.820 0.014 0.000 2.610 339 A HA 0.946 5.267 4.320 0.000 0.000 0.291 339 A C -0.127 177.462 177.584 0.007 0.000 1.086 339 A CA -0.131 51.916 52.037 0.017 0.000 0.677 339 A CB 1.127 20.134 19.000 0.012 0.000 1.278 339 A HN 1.865 nan 8.150 nan 0.000 0.414 340 G N -1.167 107.644 108.800 0.019 0.000 3.014 340 G HA2 0.509 4.469 3.960 0.000 0.000 0.683 340 G HA3 0.509 4.469 3.960 0.000 0.000 0.683 340 G C 0.594 175.515 174.900 0.036 0.000 1.271 340 G CA 0.545 45.659 45.100 0.022 0.000 0.843 340 G HN 2.253 nan 8.290 nan 0.000 0.612 341 A N 2.034 124.882 122.820 0.046 0.000 1.863 341 A HA 0.122 4.442 4.320 0.000 0.000 0.218 341 A C 3.030 180.649 177.584 0.058 0.000 1.233 341 A CA 4.203 56.275 52.037 0.058 0.000 0.655 341 A CB -1.163 17.877 19.000 0.066 0.000 0.839 341 A HN 2.623 nan 8.150 nan 0.000 0.454 342 A N -1.222 121.628 122.820 0.049 0.000 1.859 342 A HA -0.093 4.228 4.320 0.000 0.000 0.217 342 A C 2.275 179.882 177.584 0.037 0.000 1.198 342 A CA 2.385 54.447 52.037 0.043 0.000 0.629 342 A CB -1.272 17.747 19.000 0.031 0.000 0.830 342 A HN 0.655 nan 8.150 nan 0.000 0.446 343 V N -0.201 119.730 119.914 0.028 0.000 2.407 343 V HA -0.221 3.899 4.120 0.000 0.000 0.248 343 V C 2.717 178.829 176.094 0.030 0.000 1.055 343 V CA 2.429 64.743 62.300 0.022 0.000 1.049 343 V CB -1.203 30.628 31.823 0.013 0.000 0.662 343 V HN 0.667 nan 8.190 nan 0.000 0.455 344 T N 0.359 114.936 114.554 0.038 0.000 2.732 344 T HA -0.072 4.278 4.350 0.000 0.000 0.261 344 T C 2.125 176.858 174.700 0.055 0.000 1.040 344 T CA 1.425 63.549 62.100 0.040 0.000 1.145 344 T CB -0.462 68.431 68.868 0.040 0.000 0.866 344 T HN 0.545 nan 8.240 nan 0.000 0.427 345 A N 1.627 124.496 122.820 0.082 0.000 1.948 345 A HA 0.050 4.370 4.320 0.000 0.000 0.220 345 A C 2.603 180.280 177.584 0.156 0.000 1.177 345 A CA 1.944 54.073 52.037 0.154 0.000 0.636 345 A CB -1.083 18.021 19.000 0.174 0.000 0.815 345 A HN 0.520 nan 8.150 nan 0.000 0.449 346 A N -0.685 122.183 122.820 0.080 0.000 1.969 346 A HA 0.168 4.488 4.320 0.000 0.000 0.218 346 A C 2.338 179.950 177.584 0.046 0.000 1.169 346 A CA 1.776 53.842 52.037 0.048 0.000 0.635 346 A CB -1.168 17.844 19.000 0.020 0.000 0.810 346 A HN 0.698 nan 8.150 nan 0.000 0.445 347 G N -0.546 108.280 108.800 0.043 0.000 2.402 347 G HA2 -0.058 3.902 3.960 0.000 0.000 0.216 347 G HA3 -0.058 3.902 3.960 0.000 0.000 0.216 347 G C 1.480 176.399 174.900 0.032 0.000 1.162 347 G CA 1.180 46.297 45.100 0.028 0.000 0.777 347 G HN 0.300 nan 8.290 nan 0.000 0.539 348 V N 0.770 120.708 119.914 0.041 0.000 2.307 348 V HA -0.102 4.018 4.120 0.000 0.000 0.245 348 V C 2.650 178.796 176.094 0.087 0.000 1.045 348 V CA 1.459 63.762 62.300 0.005 0.000 1.024 348 V CB -0.500 31.251 31.823 -0.121 0.000 0.651 348 V HN 0.320 nan 8.190 nan 0.000 0.449 349 L N 1.610 122.970 121.223 0.228 0.000 2.131 349 L HA -0.022 4.318 4.340 0.000 0.000 0.210 349 L C 2.329 179.223 176.870 0.041 0.000 1.092 349 L CA 2.247 57.216 54.840 0.215 0.000 0.759 349 L CB -1.387 40.717 42.059 0.074 0.000 0.903 349 L HN 0.287 nan 8.230 nan 0.000 0.435 350 G N -1.161 107.654 108.800 0.026 0.000 2.442 350 G HA2 -0.280 3.680 3.960 0.000 0.000 0.219 350 G HA3 -0.280 3.680 3.960 0.000 0.000 0.219 350 G C 1.286 176.174 174.900 -0.020 0.000 1.141 350 G CA 0.917 46.015 45.100 -0.003 0.000 0.763 350 G HN 0.409 nan 8.290 nan 0.000 0.554 351 D N -0.015 120.377 120.400 -0.013 0.000 2.162 351 D HA -0.035 4.606 4.640 0.000 0.000 0.203 351 D C 2.780 178.974 176.300 -0.176 0.000 0.967 351 D CA 0.366 54.318 54.000 -0.081 0.000 0.840 351 D CB -0.347 40.466 40.800 0.022 0.000 0.972 351 D HN 0.167 nan 8.370 nan 0.000 0.482 352 V N 1.330 121.217 119.914 -0.046 0.000 2.392 352 V HA -0.230 3.890 4.120 0.000 0.000 0.249 352 V C 2.439 178.563 176.094 0.050 0.000 1.059 352 V CA 1.167 63.478 62.300 0.018 0.000 1.051 352 V CB -0.337 31.571 31.823 0.142 0.000 0.658 352 V HN 0.205 nan 8.190 nan 0.000 0.455 353 I N -0.664 119.911 120.570 0.009 0.000 2.252 353 I HA -0.221 3.950 4.170 0.000 0.000 0.245 353 I C 2.514 178.610 176.117 -0.035 0.000 1.102 353 I CA 1.481 62.821 61.300 0.065 0.000 1.385 353 I CB -0.421 37.580 38.000 0.002 0.000 1.064 353 I HN 0.251 nan 8.210 nan 0.000 0.414 354 K N 0.945 121.250 120.400 -0.157 0.000 2.032 354 K HA -0.151 4.169 4.320 0.000 0.000 0.209 354 K C 2.105 178.467 176.600 -0.396 0.000 1.048 354 K CA 1.507 57.640 56.287 -0.256 0.000 0.927 354 K CB -0.233 32.072 32.500 -0.325 0.000 0.712 354 K HN 0.270 nan 8.250 nan 0.000 0.441 355 I N 1.098 121.341 120.570 -0.546 0.000 2.179 355 I HA -0.299 3.871 4.170 0.000 0.000 0.242 355 I C 2.570 178.550 176.117 -0.228 0.000 1.088 355 I CA 1.184 62.191 61.300 -0.487 0.000 1.357 355 I CB -0.474 37.316 38.000 -0.350 0.000 1.051 355 I HN 0.174 nan 8.210 nan 0.000 0.409 356 A N 0.316 123.070 122.820 -0.110 0.000 1.908 356 A HA -0.282 4.039 4.320 0.000 0.000 0.218 356 A C 2.241 179.760 177.584 -0.109 0.000 1.181 356 A CA 1.783 53.763 52.037 -0.094 0.000 0.627 356 A CB -0.684 18.264 19.000 -0.087 0.000 0.818 356 A HN 0.525 nan 8.150 nan 0.000 0.445 357 Q N -1.414 118.329 119.800 -0.095 0.000 2.224 357 Q HA -0.086 4.254 4.340 0.000 0.000 0.203 357 Q C 2.236 178.180 176.000 -0.095 0.000 0.970 357 Q CA 1.236 56.992 55.803 -0.079 0.000 0.865 357 Q CB -0.097 28.606 28.738 -0.058 0.000 0.922 357 Q HN 0.667 nan 8.270 nan 0.000 0.445 358 R N 0.004 120.406 120.500 -0.163 0.000 2.240 358 R HA 0.089 4.429 4.340 0.000 0.000 0.203 358 R C 0.536 176.808 176.300 -0.046 0.000 1.011 358 R CA 0.000 55.988 56.100 -0.188 0.000 1.007 358 R CB 0.266 30.267 30.300 -0.498 0.000 0.911 358 R HN 0.105 nan 8.270 nan 0.000 0.468 359 L N 0.000 121.217 121.223 -0.010 0.000 2.949 359 L HA 0.000 4.340 4.340 0.000 0.000 0.249 359 L CA 0.000 54.890 54.840 0.084 0.000 0.813 359 L CB 0.000 42.098 42.059 0.065 0.000 0.961 359 L HN 0.000 nan 8.230 nan 0.000 0.502