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 2htk_1_B DATA FIRST_RESID 18 DATA SEQUENCE RRQLIRQLLE RDKTPLAILF MAAVVGTLVG LAAVAFDKGV AWLQNQRMGA DATA SEQUENCE LVHTADNYPL LLTVAFLCSA VLAMFGYFLV RKYAPEAGGS GIPEIEGALE DATA SEQUENCE DQRPVRWWRV LPVKFFGGLG TLGGGMVLGR EGPTVQIGGN IGRMVLDIFR DATA SEQUENCE LKGDEARHTL LATGAAAGLA AAFNAPLAGI LFIIEEMRPQ FRYTLISIKA DATA SEQUENCE VFIGVIMSTI MYRIFNHEVA LIDVGKLSDA PLNTLWLYLI LGIIFGIFGP DATA SEQUENCE IFNKWVLGMQ DLLHRVHGGN ITKWVLMGGA IGGLCGLLGF VAPATSGGGF DATA SEQUENCE NLIPIATAGN FSMGMLVFIF VARVITTLLC FSSGAPGGIF APMLALGTVL DATA SEQUENCE GTAFGMVAVE LFPQYHLEAG TFAIAGMGAL LAASIRAPLT GIILVLEMTD DATA SEQUENCE NYQLILPMII TGLGATLLAQ FTGGKPLASA ILARTLAKQE A 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 18 R HA 0.000 nan 4.340 nan 0.000 0.208 18 R C 0.000 176.292 176.300 -0.013 0.000 0.893 18 R CA 0.000 56.092 56.100 -0.013 0.000 0.921 18 R CB 0.000 30.294 30.300 -0.010 0.000 0.687 19 R N 2.007 122.500 120.500 -0.011 0.000 2.159 19 R HA -0.055 4.285 4.340 -0.001 0.000 0.237 19 R C 1.994 178.286 176.300 -0.012 0.000 1.131 19 R CA 2.317 58.411 56.100 -0.010 0.000 0.982 19 R CB -0.337 29.958 30.300 -0.008 0.000 0.868 19 R HN 0.474 nan 8.270 nan 0.000 0.453 20 Q N -0.398 119.393 119.800 -0.015 0.000 2.084 20 Q HA -0.190 4.150 4.340 -0.001 0.000 0.202 20 Q C 1.747 177.733 176.000 -0.023 0.000 0.978 20 Q CA 1.751 57.543 55.803 -0.019 0.000 0.844 20 Q CB -0.159 28.565 28.738 -0.023 0.000 0.898 20 Q HN 0.391 nan 8.270 nan 0.000 0.426 21 L N 0.699 121.908 121.223 -0.024 0.000 2.056 21 L HA -0.115 4.225 4.340 -0.001 0.000 0.207 21 L C 2.127 178.985 176.870 -0.020 0.000 1.078 21 L CA 1.391 56.215 54.840 -0.027 0.000 0.749 21 L CB -0.315 41.728 42.059 -0.026 0.000 0.901 21 L HN 0.287 nan 8.230 nan 0.000 0.433 22 I N -0.962 119.598 120.570 -0.016 0.000 2.286 22 I HA -0.285 3.884 4.170 -0.001 0.000 0.248 22 I C 2.583 178.693 176.117 -0.012 0.000 1.115 22 I CA 1.060 62.353 61.300 -0.012 0.000 1.392 22 I CB -0.335 37.659 38.000 -0.010 0.000 1.065 22 I HN 0.259 nan 8.210 nan 0.000 0.418 23 R N 1.277 121.770 120.500 -0.012 0.000 2.092 23 R HA -0.155 4.185 4.340 -0.001 0.000 0.231 23 R C 2.113 178.406 176.300 -0.011 0.000 1.119 23 R CA 1.666 57.760 56.100 -0.010 0.000 0.970 23 R CB -0.386 29.908 30.300 -0.010 0.000 0.864 23 R HN 0.384 nan 8.270 nan 0.000 0.440 24 Q N -0.208 119.583 119.800 -0.016 0.000 2.049 24 Q HA -0.035 4.305 4.340 -0.001 0.000 0.198 24 Q C 2.192 178.184 176.000 -0.013 0.000 0.971 24 Q CA 1.660 57.452 55.803 -0.018 0.000 0.833 24 Q CB -0.138 28.580 28.738 -0.034 0.000 0.896 24 Q HN 0.303 nan 8.270 nan 0.000 0.434 25 L N 0.431 121.645 121.223 -0.015 0.000 2.043 25 L HA -0.238 4.102 4.340 -0.001 0.000 0.212 25 L C 2.173 179.039 176.870 -0.008 0.000 1.075 25 L CA 1.090 55.923 54.840 -0.011 0.000 0.752 25 L CB -0.384 41.667 42.059 -0.012 0.000 0.891 25 L HN 0.268 nan 8.230 nan 0.000 0.432 26 L N -0.885 120.333 121.223 -0.008 0.000 2.465 26 L HA -0.093 4.246 4.340 -0.001 0.000 0.224 26 L C 1.757 178.624 176.870 -0.004 0.000 1.145 26 L CA 0.535 55.371 54.840 -0.006 0.000 0.834 26 L CB -0.179 41.876 42.059 -0.006 0.000 0.944 26 L HN 0.225 nan 8.230 nan 0.000 0.451 27 E N -0.151 120.047 120.200 -0.003 0.000 2.501 27 E HA 0.103 4.453 4.350 -0.001 0.000 0.200 27 E C 0.304 176.908 176.600 0.006 0.000 1.016 27 E CA -0.111 56.290 56.400 0.001 0.000 0.921 27 E CB 0.345 30.047 29.700 0.003 0.000 1.034 27 E HN 0.291 nan 8.360 nan 0.000 0.468 28 R N 1.871 122.373 120.500 0.003 0.000 2.543 28 R HA -0.020 4.320 4.340 -0.001 0.000 0.277 28 R C -0.333 175.970 176.300 0.006 0.000 1.074 28 R CA 0.229 56.334 56.100 0.008 0.000 1.076 28 R CB 0.237 30.539 30.300 0.004 0.000 0.993 28 R HN -0.143 nan 8.270 nan 0.000 0.459 29 D N 2.492 122.899 120.400 0.012 0.000 2.746 29 D HA -0.148 4.492 4.640 -0.001 0.000 0.241 29 D C -1.254 175.046 176.300 0.000 0.000 1.140 29 D CA 1.134 55.136 54.000 0.003 0.000 0.707 29 D CB -0.412 40.380 40.800 -0.013 0.000 1.034 29 D HN 0.574 nan 8.370 nan 0.000 0.423 30 K N 1.164 121.570 120.400 0.009 0.000 2.877 30 K HA 0.215 4.535 4.320 -0.001 0.000 0.176 30 K C -0.413 176.194 176.600 0.012 0.000 1.075 30 K CA -0.541 55.750 56.287 0.007 0.000 0.939 30 K CB 0.816 33.321 32.500 0.008 0.000 1.237 30 K HN 0.112 nan 8.250 nan 0.000 0.607 31 T N 2.935 117.495 114.554 0.010 0.000 2.834 31 T HA 0.128 4.477 4.350 -0.001 0.000 0.298 31 T C -2.251 172.457 174.700 0.013 0.000 0.966 31 T CA -1.141 60.968 62.100 0.014 0.000 1.141 31 T CB 0.345 69.221 68.868 0.013 0.000 0.905 31 T HN 0.127 nan 8.240 nan 0.000 0.535 32 P HA 0.104 nan 4.420 nan 0.000 0.263 32 P C 1.034 178.344 177.300 0.016 0.000 1.195 32 P CA -0.289 62.819 63.100 0.013 0.000 0.762 32 P CB 0.417 32.126 31.700 0.015 0.000 0.799 33 L N 3.939 125.169 121.223 0.011 0.000 2.137 33 L HA -0.321 4.018 4.340 -0.001 0.000 0.213 33 L C 2.042 178.938 176.870 0.044 0.000 1.085 33 L CA 2.232 57.083 54.840 0.019 0.000 0.760 33 L CB -0.543 41.513 42.059 -0.005 0.000 0.893 33 L HN 0.441 nan 8.230 nan 0.000 0.434 34 A N -0.006 122.831 122.820 0.028 0.000 1.908 34 A HA -0.228 4.092 4.320 -0.001 0.000 0.218 34 A C 2.152 179.770 177.584 0.057 0.000 1.181 34 A CA 2.106 54.170 52.037 0.045 0.000 0.627 34 A CB -0.819 18.193 19.000 0.020 0.000 0.818 34 A HN 0.529 nan 8.150 nan 0.000 0.445 35 I N -0.335 120.254 120.570 0.031 0.000 2.163 35 I HA -0.289 3.880 4.170 -0.001 0.000 0.243 35 I C 2.425 178.552 176.117 0.016 0.000 1.085 35 I CA 1.321 62.630 61.300 0.015 0.000 1.347 35 I CB -0.406 37.602 38.000 0.014 0.000 1.044 35 I HN 0.312 nan 8.210 nan 0.000 0.408 36 L N -0.383 120.863 121.223 0.038 0.000 2.012 36 L HA -0.265 4.074 4.340 -0.001 0.000 0.210 36 L C 2.581 179.484 176.870 0.055 0.000 1.073 36 L CA 1.558 56.424 54.840 0.043 0.000 0.748 36 L CB -0.697 41.393 42.059 0.052 0.000 0.891 36 L HN 0.213 nan 8.230 nan 0.000 0.431 37 F N -0.220 119.691 119.950 -0.065 0.000 2.186 37 F HA -0.171 4.356 4.527 -0.001 0.000 0.299 37 F C 2.408 178.133 175.800 -0.126 0.000 1.090 37 F CA 1.213 59.160 58.000 -0.087 0.000 1.307 37 F CB -0.003 38.938 39.000 -0.098 0.000 1.019 37 F HN -0.027 nan 8.300 nan 0.000 0.489 38 M N -0.058 119.457 119.600 -0.141 0.000 2.492 38 M HA 0.058 4.538 4.480 -0.001 0.000 0.262 38 M C 2.349 178.518 176.300 -0.218 0.000 1.090 38 M CA 1.051 56.191 55.300 -0.266 0.000 1.110 38 M CB -1.746 30.752 32.600 -0.170 0.000 1.407 38 M HN 0.299 nan 8.290 nan 0.000 0.470 39 A N 0.374 123.108 122.820 -0.143 0.000 1.873 39 A HA 0.046 4.366 4.320 -0.001 0.000 0.215 39 A C 2.423 179.924 177.584 -0.138 0.000 1.186 39 A CA 1.852 53.827 52.037 -0.103 0.000 0.616 39 A CB -0.893 18.080 19.000 -0.044 0.000 0.823 39 A HN 0.426 nan 8.150 nan 0.000 0.442 40 A N -0.768 121.944 122.820 -0.180 0.000 1.948 40 A HA -0.090 4.230 4.320 -0.001 0.000 0.220 40 A C 2.296 179.735 177.584 -0.241 0.000 1.177 40 A CA 1.916 53.837 52.037 -0.194 0.000 0.636 40 A CB -1.014 17.855 19.000 -0.218 0.000 0.815 40 A HN 0.671 nan 8.150 nan 0.000 0.449 41 V N -0.424 119.277 119.914 -0.355 0.000 2.667 41 V HA -0.149 3.970 4.120 -0.001 0.000 0.252 41 V C 2.418 178.405 176.094 -0.179 0.000 1.065 41 V CA 1.863 63.979 62.300 -0.307 0.000 1.083 41 V CB -0.178 31.390 31.823 -0.425 0.000 0.692 41 V HN 0.367 nan 8.190 nan 0.000 0.468 42 V N 0.574 120.392 119.914 -0.159 0.000 2.244 42 V HA -0.097 4.022 4.120 -0.001 0.000 0.244 42 V C 2.736 178.779 176.094 -0.085 0.000 1.042 42 V CA 2.106 64.340 62.300 -0.110 0.000 1.006 42 V CB -1.634 30.131 31.823 -0.096 0.000 0.641 42 V HN 0.568 nan 8.190 nan 0.000 0.446 43 G N 0.089 108.842 108.800 -0.078 0.000 2.476 43 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.218 43 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.218 43 G C 1.667 176.543 174.900 -0.041 0.000 1.164 43 G CA 1.878 46.946 45.100 -0.054 0.000 0.768 43 G HN 0.491 nan 8.290 nan 0.000 0.560 44 T N 1.362 115.885 114.554 -0.052 0.000 2.635 44 T HA -0.115 4.235 4.350 -0.001 0.000 0.267 44 T C 2.422 177.106 174.700 -0.026 0.000 1.040 44 T CA 1.303 63.384 62.100 -0.032 0.000 1.156 44 T CB -0.302 68.535 68.868 -0.052 0.000 0.863 44 T HN 0.169 nan 8.240 nan 0.000 0.430 45 L N 0.539 121.734 121.223 -0.048 0.000 2.093 45 L HA -0.061 4.279 4.340 -0.001 0.000 0.208 45 L C 2.708 179.554 176.870 -0.041 0.000 1.085 45 L CA 0.746 55.558 54.840 -0.047 0.000 0.755 45 L CB -0.561 41.461 42.059 -0.063 0.000 0.904 45 L HN 0.139 nan 8.230 nan 0.000 0.435 46 V N -0.103 119.785 119.914 -0.043 0.000 2.358 46 V HA -0.185 3.935 4.120 -0.001 0.000 0.246 46 V C 2.575 178.657 176.094 -0.019 0.000 1.047 46 V CA 1.924 64.200 62.300 -0.039 0.000 1.035 46 V CB -1.279 30.514 31.823 -0.050 0.000 0.658 46 V HN 0.556 nan 8.190 nan 0.000 0.452 47 G N 0.043 108.840 108.800 -0.005 0.000 2.480 47 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.216 47 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.216 47 G C 1.591 176.507 174.900 0.026 0.000 1.200 47 G CA 1.095 46.215 45.100 0.032 0.000 0.782 47 G HN 0.445 nan 8.290 nan 0.000 0.554 48 L N 0.864 122.088 121.223 0.002 0.000 2.042 48 L HA -0.127 4.212 4.340 -0.001 0.000 0.210 48 L C 3.418 180.257 176.870 -0.051 0.000 1.076 48 L CA 1.177 55.984 54.840 -0.055 0.000 0.749 48 L CB -0.390 41.650 42.059 -0.032 0.000 0.893 48 L HN 0.325 nan 8.230 nan 0.000 0.432 49 A N -0.219 122.600 122.820 -0.002 0.000 1.898 49 A HA -0.126 4.194 4.320 -0.001 0.000 0.216 49 A C 2.515 180.196 177.584 0.162 0.000 1.181 49 A CA 1.621 53.705 52.037 0.078 0.000 0.620 49 A CB -0.669 18.357 19.000 0.043 0.000 0.819 49 A HN 0.399 nan 8.150 nan 0.000 0.442 50 A N -0.591 122.275 122.820 0.076 0.000 1.930 50 A HA 0.065 4.385 4.320 -0.001 0.000 0.217 50 A C 2.203 179.861 177.584 0.123 0.000 1.175 50 A CA 1.608 53.693 52.037 0.080 0.000 0.627 50 A CB -0.787 18.224 19.000 0.017 0.000 0.815 50 A HN 0.341 nan 8.150 nan 0.000 0.443 51 V N -0.098 119.844 119.914 0.047 0.000 2.261 51 V HA -0.257 3.862 4.120 -0.001 0.000 0.246 51 V C 3.073 179.116 176.094 -0.085 0.000 1.047 51 V CA 2.021 64.280 62.300 -0.069 0.000 1.015 51 V CB -1.249 30.351 31.823 -0.370 0.000 0.642 51 V HN 0.600 nan 8.190 nan 0.000 0.446 52 A N -0.718 122.072 122.820 -0.050 0.000 1.933 52 A HA -0.239 4.080 4.320 -0.001 0.000 0.218 52 A C 2.120 179.727 177.584 0.038 0.000 1.175 52 A CA 2.015 54.063 52.037 0.018 0.000 0.628 52 A CB -0.727 18.343 19.000 0.116 0.000 0.814 52 A HN 0.537 nan 8.150 nan 0.000 0.444 53 F N 0.996 120.890 119.950 -0.093 0.000 2.134 53 F HA -0.177 4.350 4.527 -0.001 0.000 0.299 53 F C 1.872 177.541 175.800 -0.218 0.000 1.097 53 F CA 2.128 59.902 58.000 -0.376 0.000 1.264 53 F CB -0.209 38.576 39.000 -0.357 0.000 1.001 53 F HN 0.340 nan 8.300 nan 0.000 0.479 54 D N -0.083 120.332 120.400 0.026 0.000 2.178 54 D HA -0.147 4.493 4.640 -0.001 0.000 0.202 54 D C 2.023 178.286 176.300 -0.061 0.000 0.974 54 D CA 1.079 55.084 54.000 0.007 0.000 0.841 54 D CB -0.029 40.856 40.800 0.142 0.000 0.953 54 D HN 0.092 nan 8.370 nan 0.000 0.478 55 K N -0.156 120.202 120.400 -0.069 0.000 2.062 55 K HA 0.030 4.349 4.320 -0.001 0.000 0.205 55 K C 2.162 178.739 176.600 -0.038 0.000 1.051 55 K CA 1.076 57.340 56.287 -0.037 0.000 0.941 55 K CB -0.738 31.734 32.500 -0.048 0.000 0.719 55 K HN 0.235 nan 8.250 nan 0.000 0.440 56 G N 1.136 109.834 108.800 -0.170 0.000 2.421 56 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.216 56 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.216 56 G C 1.706 176.531 174.900 -0.126 0.000 1.171 56 G CA 0.796 45.779 45.100 -0.195 0.000 0.775 56 G HN 0.101 nan 8.290 nan 0.000 0.543 57 V N 1.637 121.360 119.914 -0.320 0.000 2.343 57 V HA -0.144 3.975 4.120 -0.001 0.000 0.247 57 V C 3.331 179.388 176.094 -0.063 0.000 1.051 57 V CA 2.052 64.201 62.300 -0.252 0.000 1.036 57 V CB -0.907 30.684 31.823 -0.388 0.000 0.654 57 V HN 0.477 nan 8.190 nan 0.000 0.451 58 A N -1.093 121.714 122.820 -0.022 0.000 1.902 58 A HA -0.278 4.041 4.320 -0.001 0.000 0.217 58 A C 1.958 179.586 177.584 0.073 0.000 1.181 58 A CA 1.889 53.946 52.037 0.033 0.000 0.623 58 A CB -0.909 18.118 19.000 0.046 0.000 0.818 58 A HN 0.725 nan 8.150 nan 0.000 0.443 59 W N 0.574 121.827 121.300 -0.078 0.000 2.335 59 W HA -0.180 4.480 4.660 -0.001 0.000 0.311 59 W C 1.762 178.244 176.519 -0.061 0.000 1.213 59 W CA 2.077 59.386 57.345 -0.061 0.000 1.274 59 W CB -0.251 29.170 29.460 -0.065 0.000 1.148 59 W HN 0.260 nan 8.180 nan 0.000 0.498 60 L N 0.130 121.504 121.223 0.252 0.000 2.141 60 L HA -0.204 4.136 4.340 -0.001 0.000 0.209 60 L C 2.579 179.422 176.870 -0.045 0.000 1.094 60 L CA 1.348 56.252 54.840 0.106 0.000 0.763 60 L CB -0.972 41.175 42.059 0.147 0.000 0.908 60 L HN 0.070 nan 8.230 nan 0.000 0.437 61 Q N -0.292 119.491 119.800 -0.028 0.000 2.079 61 Q HA -0.220 4.120 4.340 -0.001 0.000 0.200 61 Q C 2.049 178.005 176.000 -0.074 0.000 0.974 61 Q CA 1.628 57.411 55.803 -0.033 0.000 0.840 61 Q CB -0.202 28.534 28.738 -0.004 0.000 0.898 61 Q HN 0.526 nan 8.270 nan 0.000 0.430 62 N N -0.322 118.305 118.700 -0.123 0.000 2.120 62 N HA -0.201 4.539 4.740 -0.001 0.000 0.188 62 N C 1.730 177.096 175.510 -0.238 0.000 1.024 62 N CA 0.762 53.710 53.050 -0.169 0.000 0.852 62 N CB 0.232 38.594 38.487 -0.209 0.000 1.003 62 N HN 0.222 nan 8.380 nan 0.000 0.424 63 Q N 0.851 120.435 119.800 -0.359 0.000 2.096 63 Q HA -0.134 4.205 4.340 -0.001 0.000 0.204 63 Q C 2.039 177.909 176.000 -0.218 0.000 0.982 63 Q CA 1.211 56.792 55.803 -0.370 0.000 0.850 63 Q CB -0.423 28.026 28.738 -0.481 0.000 0.901 63 Q HN 0.464 nan 8.270 nan 0.000 0.422 64 R N -0.280 120.132 120.500 -0.146 0.000 2.096 64 R HA -0.063 4.277 4.340 -0.001 0.000 0.235 64 R C 2.221 178.486 176.300 -0.058 0.000 1.127 64 R CA 1.314 57.365 56.100 -0.082 0.000 0.968 64 R CB -0.223 30.053 30.300 -0.040 0.000 0.861 64 R HN 0.166 nan 8.270 nan 0.000 0.440 65 M N -0.512 119.057 119.600 -0.051 0.000 2.254 65 M HA -0.001 4.479 4.480 -0.001 0.000 0.265 65 M C 2.161 178.435 176.300 -0.043 0.000 1.066 65 M CA 1.418 56.713 55.300 -0.009 0.000 1.123 65 M CB -0.271 32.331 32.600 0.003 0.000 1.388 65 M HN 0.259 nan 8.290 nan 0.000 0.425 66 G N -0.905 107.823 108.800 -0.121 0.000 2.408 66 G HA2 -0.062 3.898 3.960 -0.001 0.000 0.217 66 G HA3 -0.062 3.898 3.960 -0.001 0.000 0.217 66 G C 1.599 176.335 174.900 -0.273 0.000 1.150 66 G CA 0.802 45.786 45.100 -0.194 0.000 0.776 66 G HN 0.545 nan 8.290 nan 0.000 0.542 67 A N 0.387 123.081 122.820 -0.210 0.000 1.968 67 A HA 0.220 4.540 4.320 -0.001 0.000 0.217 67 A C 2.327 179.871 177.584 -0.067 0.000 1.169 67 A CA 0.792 52.731 52.037 -0.164 0.000 0.638 67 A CB -0.280 18.649 19.000 -0.118 0.000 0.812 67 A HN 0.341 nan 8.150 nan 0.000 0.446 68 L N -0.670 120.528 121.223 -0.042 0.000 2.291 68 L HA -0.099 4.241 4.340 -0.001 0.000 0.214 68 L C 2.320 179.229 176.870 0.064 0.000 1.120 68 L CA 0.462 55.299 54.840 -0.005 0.000 0.799 68 L CB -0.190 41.891 42.059 0.037 0.000 0.925 68 L HN 0.240 nan 8.230 nan 0.000 0.446 69 V N -1.037 118.924 119.914 0.078 0.000 2.407 69 V HA -0.258 3.861 4.120 -0.001 0.000 0.245 69 V C 2.158 178.380 176.094 0.214 0.000 1.041 69 V CA 1.523 63.910 62.300 0.144 0.000 1.040 69 V CB -0.609 31.304 31.823 0.150 0.000 0.671 69 V HN 0.501 nan 8.190 nan 0.000 0.455 70 H N 0.079 119.152 119.070 0.004 0.000 2.524 70 H HA -0.021 4.535 4.556 -0.001 0.000 0.282 70 H C 1.301 176.628 175.328 -0.001 0.000 1.016 70 H CA 1.268 57.316 56.048 -0.000 0.000 1.270 70 H CB 0.261 30.018 29.762 -0.009 0.000 1.394 70 H HN 0.569 nan 8.280 nan 0.000 0.568 71 T N -2.618 112.004 114.554 0.114 0.000 3.483 71 T HA 0.526 4.875 4.350 -0.001 0.000 0.258 71 T C 1.240 175.967 174.700 0.045 0.000 1.013 71 T CA -0.029 62.102 62.100 0.052 0.000 1.078 71 T CB 0.686 69.564 68.868 0.017 0.000 1.111 71 T HN 0.214 nan 8.240 nan 0.000 0.538 72 A N 1.930 124.794 122.820 0.074 0.000 1.968 72 A HA 0.088 4.408 4.320 -0.001 0.000 0.217 72 A C 1.233 178.879 177.584 0.103 0.000 1.169 72 A CA 0.646 52.743 52.037 0.101 0.000 0.638 72 A CB -0.384 18.682 19.000 0.111 0.000 0.812 72 A HN 0.813 nan 8.150 nan 0.000 0.446 73 D N -0.584 119.860 120.400 0.074 0.000 2.329 73 D HA 0.135 4.774 4.640 -0.001 0.000 0.246 73 D C -0.110 176.231 176.300 0.069 0.000 1.111 73 D CA -0.336 53.706 54.000 0.071 0.000 0.941 73 D CB 0.080 40.908 40.800 0.048 0.000 1.169 73 D HN 0.377 nan 8.370 nan 0.000 0.441 74 N N 0.298 119.048 118.700 0.082 0.000 2.407 74 N HA -0.252 4.487 4.740 -0.001 0.000 0.284 74 N C -0.461 175.119 175.510 0.117 0.000 1.508 74 N CA -0.116 52.985 53.050 0.084 0.000 0.779 74 N CB -0.394 38.118 38.487 0.041 0.000 0.916 74 N HN 0.535 nan 8.380 nan 0.000 0.474 75 Y N 5.289 125.598 120.300 0.016 0.000 2.114 75 Y HA -0.014 4.536 4.550 -0.001 0.000 0.284 75 Y C -0.937 174.954 175.900 -0.014 0.000 1.143 75 Y CA 2.180 60.293 58.100 0.021 0.000 1.135 75 Y CB -0.774 37.716 38.460 0.051 0.000 0.980 75 Y HN 0.550 nan 8.280 nan 0.000 0.499 76 P HA -0.106 nan 4.420 nan 0.000 0.230 76 P C 1.582 178.799 177.300 -0.139 0.000 1.158 76 P CA 0.966 63.975 63.100 -0.151 0.000 0.769 76 P CB -0.072 31.599 31.700 -0.049 0.000 0.807 77 L N -0.130 121.037 121.223 -0.093 0.000 2.068 77 L HA -0.078 4.261 4.340 -0.001 0.000 0.204 77 L C 1.812 178.609 176.870 -0.122 0.000 1.076 77 L CA 1.619 56.410 54.840 -0.081 0.000 0.753 77 L CB -1.180 40.857 42.059 -0.037 0.000 0.910 77 L HN -0.123 nan 8.230 nan 0.000 0.439 78 L N -2.589 118.532 121.223 -0.170 0.000 2.240 78 L HA -0.014 4.325 4.340 -0.001 0.000 0.211 78 L C 2.122 178.770 176.870 -0.370 0.000 1.106 78 L CA 1.436 56.122 54.840 -0.257 0.000 0.793 78 L CB -1.559 40.321 42.059 -0.298 0.000 0.927 78 L HN 0.107 nan 8.230 nan 0.000 0.446 79 L N -0.153 120.825 121.223 -0.408 0.000 2.191 79 L HA -0.122 4.218 4.340 -0.001 0.000 0.212 79 L C 2.325 179.098 176.870 -0.160 0.000 1.103 79 L CA 1.466 56.093 54.840 -0.355 0.000 0.769 79 L CB -1.009 40.800 42.059 -0.418 0.000 0.908 79 L HN 0.392 nan 8.230 nan 0.000 0.438 80 T N -0.513 113.953 114.554 -0.147 0.000 2.852 80 T HA -0.097 4.253 4.350 -0.001 0.000 0.256 80 T C 1.922 176.616 174.700 -0.011 0.000 1.038 80 T CA 1.334 63.385 62.100 -0.082 0.000 1.141 80 T CB -0.208 68.594 68.868 -0.110 0.000 0.869 80 T HN 0.322 nan 8.240 nan 0.000 0.439 81 V N 0.756 120.637 119.914 -0.056 0.000 2.759 81 V HA 0.099 4.219 4.120 -0.001 0.000 0.256 81 V C 2.531 178.611 176.094 -0.023 0.000 1.080 81 V CA 1.274 63.554 62.300 -0.033 0.000 1.101 81 V CB -1.434 30.357 31.823 -0.053 0.000 0.698 81 V HN 0.409 nan 8.190 nan 0.000 0.477 82 A N 0.107 122.894 122.820 -0.055 0.000 1.872 82 A HA -0.021 4.298 4.320 -0.001 0.000 0.214 82 A C 2.030 179.638 177.584 0.041 0.000 1.187 82 A CA 1.620 53.636 52.037 -0.036 0.000 0.614 82 A CB -0.846 18.091 19.000 -0.104 0.000 0.826 82 A HN 0.582 nan 8.150 nan 0.000 0.442 83 F N 0.823 120.734 119.950 -0.064 0.000 2.069 83 F HA -0.179 4.348 4.527 -0.001 0.000 0.298 83 F C 1.992 177.782 175.800 -0.017 0.000 1.113 83 F CA 1.954 59.935 58.000 -0.032 0.000 1.214 83 F CB -0.324 38.651 39.000 -0.043 0.000 0.978 83 F HN 0.130 nan 8.300 nan 0.000 0.474 84 L N -1.276 120.137 121.223 0.317 0.000 2.141 84 L HA -0.261 4.078 4.340 -0.001 0.000 0.209 84 L C 2.629 179.553 176.870 0.090 0.000 1.094 84 L CA 0.981 55.946 54.840 0.208 0.000 0.763 84 L CB -1.017 41.118 42.059 0.127 0.000 0.908 84 L HN 0.294 nan 8.230 nan 0.000 0.437 85 C N -0.778 118.551 119.300 0.048 0.000 2.429 85 C HA -0.134 4.326 4.460 -0.001 0.000 0.277 85 C C 3.103 178.101 174.990 0.014 0.000 1.262 85 C CA 1.290 60.319 59.018 0.018 0.000 1.733 85 C CB -0.506 27.230 27.740 -0.006 0.000 2.010 85 C HN 0.493 nan 8.230 nan 0.000 0.483 86 S N 0.445 116.138 115.700 -0.012 0.000 2.425 86 S HA 0.047 4.516 4.470 -0.001 0.000 0.225 86 S C 2.078 176.653 174.600 -0.042 0.000 1.024 86 S CA 0.926 59.107 58.200 -0.031 0.000 0.951 86 S CB -0.292 62.865 63.200 -0.071 0.000 0.796 86 S HN 0.685 nan 8.310 nan 0.000 0.498 87 A N 1.443 124.214 122.820 -0.082 0.000 1.855 87 A HA -0.027 4.293 4.320 -0.001 0.000 0.215 87 A C 2.302 179.919 177.584 0.054 0.000 1.191 87 A CA 1.431 53.437 52.037 -0.051 0.000 0.613 87 A CB -1.024 17.981 19.000 0.007 0.000 0.829 87 A HN 0.309 nan 8.150 nan 0.000 0.442 88 V N 0.185 120.143 119.914 0.074 0.000 2.287 88 V HA -0.283 3.836 4.120 -0.001 0.000 0.248 88 V C 2.597 178.778 176.094 0.144 0.000 1.053 88 V CA 2.152 64.511 62.300 0.098 0.000 1.027 88 V CB -0.764 31.103 31.823 0.073 0.000 0.646 88 V HN 0.562 nan 8.190 nan 0.000 0.447 89 L N -0.282 121.013 121.223 0.119 0.000 2.093 89 L HA -0.097 4.242 4.340 -0.001 0.000 0.208 89 L C 2.708 179.727 176.870 0.247 0.000 1.085 89 L CA 1.328 56.261 54.840 0.157 0.000 0.755 89 L CB -0.798 41.312 42.059 0.087 0.000 0.904 89 L HN 0.348 nan 8.230 nan 0.000 0.435 90 A N 0.072 123.017 122.820 0.209 0.000 1.865 90 A HA -0.255 4.065 4.320 -0.001 0.000 0.217 90 A C 2.336 180.166 177.584 0.410 0.000 1.191 90 A CA 1.851 54.072 52.037 0.307 0.000 0.623 90 A CB -0.534 18.607 19.000 0.235 0.000 0.826 90 A HN 0.314 nan 8.150 nan 0.000 0.444 91 M N -2.106 117.657 119.600 0.272 0.000 2.106 91 M HA -0.161 4.318 4.480 -0.001 0.000 0.259 91 M C 2.153 178.649 176.300 0.326 0.000 1.068 91 M CA 1.990 57.436 55.300 0.245 0.000 1.100 91 M CB -0.483 32.201 32.600 0.140 0.000 1.351 91 M HN 0.555 nan 8.290 nan 0.000 0.404 92 F N 0.686 120.755 119.950 0.198 0.000 2.171 92 F HA -0.115 4.412 4.527 -0.001 0.000 0.300 92 F C 2.085 178.039 175.800 0.257 0.000 1.090 92 F CA 1.740 59.878 58.000 0.230 0.000 1.293 92 F CB -0.483 38.622 39.000 0.175 0.000 1.013 92 F HN 0.054 nan 8.300 nan 0.000 0.486 93 G N -1.151 107.856 108.800 0.345 0.000 2.424 93 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.214 93 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.214 93 G C 1.354 176.276 174.900 0.037 0.000 1.202 93 G CA 0.740 45.941 45.100 0.170 0.000 0.793 93 G HN 0.413 nan 8.290 nan 0.000 0.534 94 Y N -0.149 120.176 120.300 0.043 0.000 2.193 94 Y HA -0.129 4.421 4.550 -0.001 0.000 0.285 94 Y C 2.362 178.193 175.900 -0.114 0.000 1.166 94 Y CA 1.576 59.642 58.100 -0.057 0.000 1.181 94 Y CB -0.448 38.024 38.460 0.020 0.000 0.976 94 Y HN 0.264 nan 8.280 nan 0.000 0.520 95 F N -0.480 119.460 119.950 -0.016 0.000 2.060 95 F HA -0.228 4.299 4.527 -0.001 0.000 0.295 95 F C 2.135 177.832 175.800 -0.171 0.000 1.120 95 F CA 1.060 58.989 58.000 -0.117 0.000 1.205 95 F CB -0.401 38.539 39.000 -0.099 0.000 0.986 95 F HN -0.125 nan 8.300 nan 0.000 0.470 96 L N 0.278 121.302 121.223 -0.330 0.000 2.137 96 L HA -0.227 4.113 4.340 -0.001 0.000 0.213 96 L C 2.310 179.040 176.870 -0.233 0.000 1.085 96 L CA 1.317 55.961 54.840 -0.326 0.000 0.760 96 L CB -1.197 40.699 42.059 -0.271 0.000 0.893 96 L HN 0.184 nan 8.230 nan 0.000 0.434 97 V N -0.911 118.856 119.914 -0.245 0.000 2.302 97 V HA -0.146 3.974 4.120 -0.001 0.000 0.243 97 V C 2.612 178.499 176.094 -0.344 0.000 1.036 97 V CA 1.086 63.232 62.300 -0.255 0.000 1.020 97 V CB -0.395 31.263 31.823 -0.276 0.000 0.657 97 V HN 0.350 nan 8.190 nan 0.000 0.453 98 R N 0.264 120.502 120.500 -0.435 0.000 2.148 98 R HA -0.095 4.245 4.340 -0.001 0.000 0.227 98 R C 2.171 178.200 176.300 -0.452 0.000 1.103 98 R CA 1.090 56.903 56.100 -0.477 0.000 0.983 98 R CB -0.324 29.682 30.300 -0.490 0.000 0.874 98 R HN 0.357 nan 8.270 nan 0.000 0.451 99 K N -0.822 119.197 120.400 -0.635 0.000 2.211 99 K HA 0.005 4.325 4.320 -0.001 0.000 0.201 99 K C 0.980 177.017 176.600 -0.939 0.000 1.052 99 K CA 1.143 56.884 56.287 -0.910 0.000 0.973 99 K CB 0.224 31.778 32.500 -1.578 0.000 0.766 99 K HN 0.120 nan 8.250 nan 0.000 0.466 100 Y N -1.881 118.219 120.300 -0.334 0.000 2.585 100 Y HA 0.487 5.037 4.550 -0.001 0.000 0.272 100 Y C -0.097 175.695 175.900 -0.180 0.000 1.119 100 Y CA -0.205 57.760 58.100 -0.225 0.000 1.255 100 Y CB 1.169 39.503 38.460 -0.211 0.000 1.284 100 Y HN -0.014 nan 8.280 nan 0.000 0.499 101 A N 0.380 123.157 122.820 -0.071 0.000 2.876 101 A HA 0.468 4.788 4.320 -0.001 0.000 0.309 101 A C -2.523 174.974 177.584 -0.145 0.000 1.168 101 A CA -1.073 50.903 52.037 -0.101 0.000 0.762 101 A CB 0.465 19.410 19.000 -0.092 0.000 1.262 101 A HN -0.043 nan 8.150 nan 0.000 0.435 102 P HA -0.174 nan 4.420 nan 0.000 0.222 102 P C 1.231 178.456 177.300 -0.126 0.000 1.147 102 P CA 1.556 64.549 63.100 -0.178 0.000 0.790 102 P CB 0.247 31.861 31.700 -0.144 0.000 0.780 103 E N -0.044 120.097 120.200 -0.098 0.000 2.208 103 E HA -0.049 4.300 4.350 -0.001 0.000 0.193 103 E C 1.672 178.227 176.600 -0.074 0.000 0.988 103 E CA 0.887 57.243 56.400 -0.073 0.000 0.828 103 E CB -0.848 28.810 29.700 -0.071 0.000 0.763 103 E HN 0.099 nan 8.360 nan 0.000 0.478 104 A N 1.730 124.495 122.820 -0.092 0.000 2.238 104 A HA 0.226 4.546 4.320 -0.001 0.000 0.208 104 A C 1.272 178.801 177.584 -0.091 0.000 1.177 104 A CA 0.357 52.345 52.037 -0.081 0.000 0.804 104 A CB -0.453 18.500 19.000 -0.078 0.000 0.823 104 A HN 0.281 nan 8.150 nan 0.000 0.482 105 G N -1.766 106.966 108.800 -0.113 0.000 2.539 105 G HA2 0.536 4.495 3.960 -0.001 0.000 0.258 105 G HA3 0.536 4.495 3.960 -0.001 0.000 0.258 105 G C 0.820 175.661 174.900 -0.097 0.000 1.202 105 G CA 0.167 45.188 45.100 -0.131 0.000 0.851 105 G HN 1.428 nan 8.290 nan 0.000 0.556 106 G N 0.020 108.741 108.800 -0.132 0.000 2.547 106 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.271 106 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.271 106 G C 1.496 176.438 174.900 0.070 0.000 1.209 106 G CA 1.016 46.005 45.100 -0.187 0.000 0.959 106 G HN 1.666 nan 8.290 nan 0.000 0.563 107 S N -0.461 115.409 115.700 0.283 0.000 2.343 107 S HA 0.302 4.772 4.470 -0.001 0.000 0.212 107 S C 2.381 177.067 174.600 0.144 0.000 1.033 107 S CA 3.313 61.721 58.200 0.346 0.000 1.004 107 S CB -0.675 62.798 63.200 0.455 0.000 0.977 107 S HN 2.848 nan 8.310 nan 0.000 0.427 108 G N -0.071 108.801 108.800 0.120 0.000 2.316 108 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.203 108 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.203 108 G C 0.899 175.844 174.900 0.074 0.000 0.999 108 G CA 0.268 45.402 45.100 0.057 0.000 0.649 108 G HN 0.511 nan 8.290 nan 0.000 0.489 109 I N 1.891 122.539 120.570 0.129 0.000 2.226 109 I HA -0.068 4.101 4.170 -0.001 0.000 0.245 109 I C 0.127 176.320 176.117 0.127 0.000 1.100 109 I CA 1.897 63.294 61.300 0.162 0.000 1.374 109 I CB -0.653 37.519 38.000 0.287 0.000 1.057 109 I HN 0.206 nan 8.210 nan 0.000 0.413 110 P HA -0.142 nan 4.420 nan 0.000 0.217 110 P C 1.399 178.735 177.300 0.061 0.000 1.151 110 P CA 1.178 64.338 63.100 0.101 0.000 0.828 110 P CB 0.097 31.867 31.700 0.117 0.000 0.788 111 E N -0.389 119.842 120.200 0.052 0.000 2.077 111 E HA -0.143 4.207 4.350 -0.001 0.000 0.193 111 E C 1.873 178.483 176.600 0.016 0.000 0.989 111 E CA 1.084 57.499 56.400 0.025 0.000 0.800 111 E CB -0.780 28.926 29.700 0.010 0.000 0.746 111 E HN 0.050 nan 8.360 nan 0.000 0.452 112 I N 0.726 121.305 120.570 0.016 0.000 2.500 112 I HA -0.121 4.048 4.170 -0.001 0.000 0.252 112 I C 1.996 178.107 176.117 -0.010 0.000 1.142 112 I CA 1.046 62.347 61.300 0.002 0.000 1.451 112 I CB -1.017 36.980 38.000 -0.003 0.000 1.093 112 I HN 0.222 nan 8.210 nan 0.000 0.430 113 E N 1.056 121.249 120.200 -0.013 0.000 2.058 113 E HA -0.189 4.160 4.350 -0.001 0.000 0.194 113 E C 2.305 178.899 176.600 -0.010 0.000 0.997 113 E CA 1.400 57.780 56.400 -0.034 0.000 0.801 113 E CB -0.332 29.355 29.700 -0.021 0.000 0.746 113 E HN 0.545 nan 8.360 nan 0.000 0.450 114 G N 0.952 109.761 108.800 0.015 0.000 2.422 114 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.218 114 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.218 114 G C 1.665 176.583 174.900 0.031 0.000 1.146 114 G CA 0.863 45.978 45.100 0.026 0.000 0.769 114 G HN 0.352 nan 8.290 nan 0.000 0.547 115 A N 0.385 123.222 122.820 0.028 0.000 1.972 115 A HA 0.103 4.423 4.320 -0.001 0.000 0.219 115 A C 2.382 180.012 177.584 0.078 0.000 1.169 115 A CA 1.200 53.263 52.037 0.044 0.000 0.635 115 A CB -0.314 18.703 19.000 0.030 0.000 0.810 115 A HN 0.369 nan 8.150 nan 0.000 0.446 116 L N -0.671 120.579 121.223 0.046 0.000 2.156 116 L HA -0.065 4.274 4.340 -0.001 0.000 0.208 116 L C 1.855 178.723 176.870 -0.005 0.000 1.095 116 L CA 0.813 55.672 54.840 0.032 0.000 0.770 116 L CB -0.223 41.785 42.059 -0.085 0.000 0.914 116 L HN 0.285 nan 8.230 nan 0.000 0.439 117 E N -0.307 119.903 120.200 0.016 0.000 2.494 117 E HA -0.096 4.254 4.350 -0.001 0.000 0.193 117 E C -0.166 176.488 176.600 0.091 0.000 1.074 117 E CA 0.174 56.596 56.400 0.036 0.000 0.867 117 E CB -0.050 29.674 29.700 0.038 0.000 0.924 117 E HN 0.335 nan 8.360 nan 0.000 0.502 118 D N 0.562 121.039 120.400 0.129 0.000 2.983 118 D HA -0.193 4.447 4.640 -0.001 0.000 0.225 118 D C 0.662 177.004 176.300 0.070 0.000 1.174 118 D CA 0.646 54.711 54.000 0.110 0.000 0.831 118 D CB -0.493 40.381 40.800 0.123 0.000 1.104 118 D HN 0.272 nan 8.370 nan 0.000 0.421 119 Q N -0.726 119.109 119.800 0.058 0.000 2.282 119 Q HA 0.133 4.473 4.340 -0.001 0.000 0.206 119 Q C 0.602 176.623 176.000 0.035 0.000 0.878 119 Q CA 0.431 56.260 55.803 0.044 0.000 0.944 119 Q CB 0.938 29.701 28.738 0.041 0.000 1.100 119 Q HN 0.281 nan 8.270 nan 0.000 0.509 120 R N 0.540 121.061 120.500 0.036 0.000 2.771 120 R HA 0.546 4.885 4.340 -0.001 0.000 0.274 120 R C -2.574 173.741 176.300 0.025 0.000 0.987 120 R CA -1.822 54.292 56.100 0.025 0.000 0.908 120 R CB 1.110 31.420 30.300 0.017 0.000 1.213 120 R HN -0.079 nan 8.270 nan 0.000 0.468 121 P HA 0.355 nan 4.420 nan 0.000 0.282 121 P C -0.595 176.688 177.300 -0.028 0.000 1.259 121 P CA -0.658 62.450 63.100 0.014 0.000 0.826 121 P CB 0.885 32.598 31.700 0.021 0.000 1.064 122 V N 1.833 121.729 119.914 -0.030 0.000 2.235 122 V HA 0.303 4.422 4.120 -0.001 0.000 0.266 122 V C 0.721 176.644 176.094 -0.284 0.000 1.055 122 V CA -0.547 61.709 62.300 -0.073 0.000 0.844 122 V CB -0.273 31.570 31.823 0.033 0.000 1.097 122 V HN 0.401 nan 8.190 nan 0.000 0.453 123 R N 4.072 124.241 120.500 -0.551 0.000 3.710 123 R HA 0.082 4.421 4.340 -0.001 0.000 0.201 123 R C 1.370 176.848 176.300 -1.371 0.000 1.641 123 R CA -0.290 54.961 56.100 -1.416 0.000 1.390 123 R CB 0.074 29.800 30.300 -0.956 0.000 1.341 123 R HN 0.939 nan 8.270 nan 0.000 0.728 124 W N 1.624 122.349 121.300 -0.958 0.000 2.338 124 W HA -0.242 4.418 4.660 -0.000 0.000 0.304 124 W C 0.881 177.218 176.519 -0.304 0.000 1.212 124 W CA 0.775 57.864 57.345 -0.426 0.000 1.264 124 W CB -1.222 28.147 29.460 -0.152 0.000 1.142 124 W HN 0.507 nan 8.180 nan 0.000 0.512 125 W N 1.783 122.626 121.300 -0.763 0.000 2.321 125 W HA -0.104 4.556 4.660 -0.001 0.000 0.285 125 W C 2.123 178.500 176.519 -0.236 0.000 1.213 125 W CA 1.822 58.788 57.345 -0.631 0.000 1.205 125 W CB -1.379 27.517 29.460 -0.940 0.000 1.134 125 W HN -0.156 nan 8.180 nan 0.000 0.549 126 R N 0.292 120.499 120.500 -0.488 0.000 2.084 126 R HA 0.054 4.393 4.340 -0.001 0.000 0.209 126 R C 2.302 178.509 176.300 -0.155 0.000 1.173 126 R CA 1.030 56.985 56.100 -0.241 0.000 1.053 126 R CB -0.756 29.378 30.300 -0.277 0.000 0.948 126 R HN 0.105 nan 8.270 nan 0.000 0.460 127 V N 2.392 122.180 119.914 -0.209 0.000 2.287 127 V HA -0.259 3.861 4.120 -0.001 0.000 0.248 127 V C 2.431 178.521 176.094 -0.008 0.000 1.053 127 V CA 1.729 63.966 62.300 -0.104 0.000 1.027 127 V CB -0.616 31.134 31.823 -0.123 0.000 0.646 127 V HN 0.254 nan 8.190 nan 0.000 0.447 128 L N 0.534 121.775 121.223 0.031 0.000 1.965 128 L HA -0.193 4.147 4.340 -0.001 0.000 0.226 128 L C 0.396 177.348 176.870 0.135 0.000 1.083 128 L CA 2.484 57.375 54.840 0.086 0.000 0.790 128 L CB -2.239 39.895 42.059 0.125 0.000 0.898 128 L HN 0.363 nan 8.230 nan 0.000 0.439 129 P HA -0.097 nan 4.420 nan 0.000 0.218 129 P C 1.901 179.409 177.300 0.345 0.000 1.149 129 P CA 1.237 64.516 63.100 0.299 0.000 0.817 129 P CB 0.047 31.862 31.700 0.191 0.000 0.785 130 V N 0.425 120.430 119.914 0.152 0.000 2.358 130 V HA -0.179 3.940 4.120 -0.001 0.000 0.246 130 V C 2.741 178.913 176.094 0.129 0.000 1.047 130 V CA 2.013 64.374 62.300 0.101 0.000 1.035 130 V CB -0.968 30.859 31.823 0.006 0.000 0.658 130 V HN 0.085 nan 8.190 nan 0.000 0.452 131 K N -0.296 120.170 120.400 0.111 0.000 2.076 131 K HA -0.049 4.270 4.320 -0.001 0.000 0.204 131 K C 1.847 178.532 176.600 0.143 0.000 1.051 131 K CA 1.214 57.544 56.287 0.071 0.000 0.949 131 K CB -0.510 31.988 32.500 -0.003 0.000 0.726 131 K HN 0.313 nan 8.250 nan 0.000 0.443 132 F N 0.047 120.023 119.950 0.043 0.000 2.010 132 F HA -0.189 4.338 4.527 -0.001 0.000 0.296 132 F C 1.613 177.488 175.800 0.125 0.000 1.146 132 F CA 1.921 59.953 58.000 0.054 0.000 1.181 132 F CB -0.461 38.465 39.000 -0.123 0.000 0.965 132 F HN 0.007 nan 8.300 nan 0.000 0.480 133 F N 0.535 120.777 119.950 0.486 0.000 2.293 133 F HA 0.002 4.529 4.527 -0.000 0.000 0.300 133 F C 2.555 178.563 175.800 0.347 0.000 1.086 133 F CA 1.183 59.423 58.000 0.400 0.000 1.375 133 F CB -1.339 37.940 39.000 0.466 0.000 1.045 133 F HN 0.112 nan 8.300 nan 0.000 0.516 134 G N -0.257 108.776 108.800 0.390 0.000 2.394 134 G HA2 -0.108 3.852 3.960 -0.001 0.000 0.214 134 G HA3 -0.108 3.852 3.960 -0.001 0.000 0.214 134 G C 2.062 177.084 174.900 0.203 0.000 1.176 134 G CA 0.731 45.973 45.100 0.236 0.000 0.786 134 G HN 0.465 nan 8.290 nan 0.000 0.533 135 G N 0.909 109.837 108.800 0.214 0.000 2.421 135 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.216 135 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.216 135 G C 1.786 176.802 174.900 0.194 0.000 1.171 135 G CA 0.909 46.176 45.100 0.279 0.000 0.775 135 G HN 0.337 nan 8.290 nan 0.000 0.543 136 L N 1.316 122.568 121.223 0.048 0.000 2.034 136 L HA -0.117 4.222 4.340 -0.001 0.000 0.217 136 L C 3.021 179.872 176.870 -0.030 0.000 1.077 136 L CA 2.296 56.991 54.840 -0.242 0.000 0.769 136 L CB -0.717 41.199 42.059 -0.239 0.000 0.890 136 L HN 0.272 nan 8.230 nan 0.000 0.435 137 G N -2.062 106.826 108.800 0.146 0.000 2.453 137 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.215 137 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.215 137 G C 1.528 176.512 174.900 0.139 0.000 1.201 137 G CA 1.428 46.647 45.100 0.198 0.000 0.784 137 G HN 0.479 nan 8.290 nan 0.000 0.545 138 T N -0.124 114.510 114.554 0.132 0.000 2.777 138 T HA 0.081 4.430 4.350 -0.001 0.000 0.266 138 T C 2.336 177.087 174.700 0.085 0.000 1.040 138 T CA 0.808 62.975 62.100 0.112 0.000 1.141 138 T CB -0.191 68.718 68.868 0.067 0.000 0.868 138 T HN 0.049 nan 8.240 nan 0.000 0.444 139 L N 1.214 122.476 121.223 0.066 0.000 2.044 139 L HA 0.123 4.463 4.340 -0.001 0.000 0.205 139 L C 3.130 179.998 176.870 -0.004 0.000 1.075 139 L CA 2.026 56.887 54.840 0.035 0.000 0.747 139 L CB -1.668 40.405 42.059 0.023 0.000 0.903 139 L HN 0.501 nan 8.230 nan 0.000 0.435 140 G N -0.464 108.314 108.800 -0.038 0.000 2.448 140 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.219 140 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.219 140 G C 1.515 176.421 174.900 0.009 0.000 1.127 140 G CA 0.725 45.809 45.100 -0.027 0.000 0.766 140 G HN 0.505 nan 8.290 nan 0.000 0.552 141 G N -0.197 108.621 108.800 0.030 0.000 2.534 141 G HA2 0.330 4.289 3.960 -0.001 0.000 0.217 141 G HA3 0.330 4.289 3.960 -0.001 0.000 0.217 141 G C 1.164 176.080 174.900 0.027 0.000 1.128 141 G CA 0.618 45.737 45.100 0.032 0.000 0.784 141 G HN 1.487 nan 8.290 nan 0.000 0.542 142 G N -0.535 108.285 108.800 0.034 0.000 2.207 142 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.216 142 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.216 142 G C 0.173 175.100 174.900 0.046 0.000 1.053 142 G CA 0.047 45.170 45.100 0.039 0.000 0.764 142 G HN 0.381 nan 8.290 nan 0.000 0.495 143 M N -0.131 119.504 119.600 0.057 0.000 2.288 143 M HA 0.382 4.862 4.480 -0.001 0.000 0.334 143 M C 1.133 177.475 176.300 0.070 0.000 1.150 143 M CA -0.624 54.720 55.300 0.073 0.000 1.118 143 M CB 1.501 34.164 32.600 0.104 0.000 1.501 143 M HN -0.061 nan 8.290 nan 0.000 0.462 144 V N 4.662 124.622 119.914 0.076 0.000 2.180 144 V HA 0.132 4.252 4.120 -0.001 0.000 0.238 144 V C -0.193 175.955 176.094 0.090 0.000 1.337 144 V CA 0.438 62.779 62.300 0.068 0.000 1.338 144 V CB -1.744 30.120 31.823 0.068 0.000 1.431 144 V HN 0.540 nan 8.190 nan 0.000 0.498 145 L N 2.206 123.473 121.223 0.073 0.000 2.472 145 L HA 0.720 5.060 4.340 -0.001 0.000 0.260 145 L C 0.614 177.512 176.870 0.047 0.000 0.963 145 L CA -0.507 54.388 54.840 0.092 0.000 0.829 145 L CB 2.137 44.274 42.059 0.130 0.000 1.348 145 L HN 0.488 nan 8.230 nan 0.000 0.408 146 G N 0.548 109.370 108.800 0.037 0.000 2.557 146 G HA2 0.416 4.375 3.960 -0.001 0.000 0.292 146 G HA3 0.416 4.375 3.960 -0.001 0.000 0.292 146 G C 0.353 175.260 174.900 0.013 0.000 1.237 146 G CA -0.382 44.716 45.100 -0.004 0.000 0.978 146 G HN 0.711 nan 8.290 nan 0.000 0.498 147 R N -0.815 119.657 120.500 -0.046 0.000 2.246 147 R HA 0.073 4.413 4.340 -0.001 0.000 0.199 147 R C 2.217 178.367 176.300 -0.251 0.000 0.984 147 R CA 0.600 56.661 56.100 -0.065 0.000 1.015 147 R CB 0.174 30.466 30.300 -0.013 0.000 0.930 147 R HN 0.573 nan 8.270 nan 0.000 0.475 148 E N 0.355 120.385 120.200 -0.283 0.000 2.012 148 E HA -0.150 4.200 4.350 -0.001 0.000 0.197 148 E C 2.008 178.480 176.600 -0.212 0.000 1.007 148 E CA 1.525 57.731 56.400 -0.324 0.000 0.816 148 E CB -1.046 28.442 29.700 -0.354 0.000 0.762 148 E HN 0.315 nan 8.360 nan 0.000 0.451 149 G N 2.079 110.821 108.800 -0.097 0.000 2.833 149 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.226 149 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.226 149 G C -0.877 173.951 174.900 -0.120 0.000 1.228 149 G CA 1.819 46.901 45.100 -0.030 0.000 0.779 149 G HN 0.300 nan 8.290 nan 0.000 0.651 150 P HA -0.160 nan 4.420 nan 0.000 0.211 150 P C 2.474 179.543 177.300 -0.385 0.000 1.181 150 P CA 3.069 65.931 63.100 -0.396 0.000 0.929 150 P CB -0.675 30.511 31.700 -0.857 0.000 0.789 151 T N -2.760 111.526 114.554 -0.447 0.000 2.759 151 T HA -0.137 4.212 4.350 -0.001 0.000 0.269 151 T C 1.832 176.412 174.700 -0.199 0.000 1.042 151 T CA 1.654 63.560 62.100 -0.324 0.000 1.140 151 T CB -1.604 67.079 68.868 -0.307 0.000 0.864 151 T HN -0.146 nan 8.240 nan 0.000 0.455 152 V N 1.794 121.603 119.914 -0.175 0.000 2.261 152 V HA -0.209 3.910 4.120 -0.001 0.000 0.246 152 V C 2.958 179.015 176.094 -0.063 0.000 1.047 152 V CA 2.201 64.445 62.300 -0.094 0.000 1.015 152 V CB -0.978 30.815 31.823 -0.051 0.000 0.642 152 V HN 0.534 nan 8.190 nan 0.000 0.446 153 Q N -0.208 119.552 119.800 -0.066 0.000 1.993 153 Q HA -0.211 4.129 4.340 -0.001 0.000 0.202 153 Q C 2.251 178.217 176.000 -0.056 0.000 0.984 153 Q CA 2.347 58.121 55.803 -0.049 0.000 0.837 153 Q CB -0.275 28.434 28.738 -0.047 0.000 0.902 153 Q HN 0.623 nan 8.270 nan 0.000 0.423 154 I N 0.516 121.038 120.570 -0.081 0.000 2.236 154 I HA -0.302 3.868 4.170 -0.001 0.000 0.249 154 I C 2.240 178.325 176.117 -0.053 0.000 1.102 154 I CA 1.200 62.465 61.300 -0.059 0.000 1.365 154 I CB -0.662 37.293 38.000 -0.075 0.000 1.051 154 I HN 0.426 nan 8.210 nan 0.000 0.420 155 G N 0.449 109.208 108.800 -0.070 0.000 2.433 155 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.216 155 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.216 155 G C 1.725 176.596 174.900 -0.049 0.000 1.186 155 G CA 0.831 45.894 45.100 -0.061 0.000 0.779 155 G HN 0.490 nan 8.290 nan 0.000 0.543 156 G N 0.962 109.739 108.800 -0.038 0.000 2.421 156 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.216 156 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.216 156 G C 1.730 176.617 174.900 -0.022 0.000 1.171 156 G CA 1.212 46.295 45.100 -0.027 0.000 0.775 156 G HN 0.474 nan 8.290 nan 0.000 0.543 157 N N 0.382 119.074 118.700 -0.014 0.000 2.149 157 N HA -0.073 4.666 4.740 -0.001 0.000 0.188 157 N C 2.009 177.501 175.510 -0.030 0.000 1.019 157 N CA 0.773 53.834 53.050 0.019 0.000 0.857 157 N CB -0.083 38.428 38.487 0.040 0.000 0.997 157 N HN 0.181 nan 8.380 nan 0.000 0.426 158 I N 0.158 120.692 120.570 -0.061 0.000 2.315 158 I HA -0.081 4.089 4.170 -0.001 0.000 0.248 158 I C 2.252 178.285 176.117 -0.141 0.000 1.117 158 I CA 1.106 62.337 61.300 -0.115 0.000 1.404 158 I CB -1.516 36.433 38.000 -0.084 0.000 1.071 158 I HN 0.181 nan 8.210 nan 0.000 0.419 159 G N 0.270 109.014 108.800 -0.094 0.000 2.443 159 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.219 159 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.219 159 G C 1.860 176.711 174.900 -0.083 0.000 1.131 159 G CA 0.551 45.602 45.100 -0.081 0.000 0.775 159 G HN 0.241 nan 8.290 nan 0.000 0.547 160 R N -0.036 120.412 120.500 -0.086 0.000 2.073 160 R HA 0.204 4.543 4.340 -0.001 0.000 0.229 160 R C 2.404 178.553 176.300 -0.251 0.000 1.120 160 R CA 1.259 57.322 56.100 -0.062 0.000 0.967 160 R CB -0.573 29.766 30.300 0.065 0.000 0.862 160 R HN 0.334 nan 8.270 nan 0.000 0.436 161 M N 0.249 119.503 119.600 -0.577 0.000 2.082 161 M HA -0.174 4.306 4.480 -0.001 0.000 0.258 161 M C 1.798 177.800 176.300 -0.497 0.000 1.069 161 M CA 2.331 56.978 55.300 -1.090 0.000 1.102 161 M CB -0.050 31.903 32.600 -1.078 0.000 1.336 161 M HN 0.185 nan 8.290 nan 0.000 0.404 162 V N -1.327 118.453 119.914 -0.223 0.000 2.809 162 V HA -0.171 3.949 4.120 -0.001 0.000 0.256 162 V C 2.127 178.292 176.094 0.119 0.000 1.080 162 V CA 1.281 63.603 62.300 0.038 0.000 1.102 162 V CB -1.274 30.561 31.823 0.021 0.000 0.705 162 V HN 0.559 nan 8.190 nan 0.000 0.475 163 L N 1.224 122.455 121.223 0.014 0.000 1.988 163 L HA -0.075 4.264 4.340 -0.001 0.000 0.207 163 L C 2.295 179.217 176.870 0.088 0.000 1.071 163 L CA 2.478 57.351 54.840 0.055 0.000 0.744 163 L CB -0.751 41.327 42.059 0.032 0.000 0.893 163 L HN 0.235 nan 8.230 nan 0.000 0.433 164 D N -0.084 120.358 120.400 0.069 0.000 2.087 164 D HA -0.213 4.427 4.640 -0.001 0.000 0.192 164 D C 2.322 178.662 176.300 0.067 0.000 0.993 164 D CA 2.069 56.146 54.000 0.129 0.000 0.828 164 D CB -0.314 40.674 40.800 0.314 0.000 0.968 164 D HN 0.422 nan 8.370 nan 0.000 0.448 165 I N -0.334 120.219 120.570 -0.027 0.000 2.208 165 I HA -0.266 3.904 4.170 -0.001 0.000 0.245 165 I C 1.543 177.499 176.117 -0.268 0.000 1.097 165 I CA 1.059 62.258 61.300 -0.168 0.000 1.363 165 I CB -0.148 37.671 38.000 -0.302 0.000 1.051 165 I HN -0.076 nan 8.210 nan 0.000 0.413 166 F N 0.200 120.143 119.950 -0.013 0.000 2.727 166 F HA 0.233 4.760 4.527 -0.000 0.000 0.302 166 F C 0.819 176.628 175.800 0.015 0.000 1.097 166 F CA -0.198 57.806 58.000 0.007 0.000 1.330 166 F CB -0.039 38.968 39.000 0.013 0.000 1.084 166 F HN -0.139 nan 8.300 nan 0.000 0.578 167 R N 0.765 121.348 120.500 0.138 0.000 3.264 167 R HA -0.195 4.145 4.340 -0.001 0.000 0.251 167 R C -0.869 175.489 176.300 0.097 0.000 0.971 167 R CA 0.020 56.177 56.100 0.095 0.000 0.658 167 R CB -2.367 27.970 30.300 0.062 0.000 1.095 167 R HN 0.256 nan 8.270 nan 0.000 0.443 168 L N 0.737 122.022 121.223 0.103 0.000 2.367 168 L HA 0.223 4.562 4.340 -0.001 0.000 0.275 168 L C 0.827 177.724 176.870 0.045 0.000 1.129 168 L CA 0.270 55.153 54.840 0.072 0.000 0.839 168 L CB 0.841 42.937 42.059 0.062 0.000 1.133 168 L HN 0.100 nan 8.230 nan 0.000 0.453 169 K N 2.391 122.812 120.400 0.034 0.000 2.182 169 K HA 0.758 5.078 4.320 -0.001 0.000 0.262 169 K C -0.253 176.352 176.600 0.008 0.000 0.957 169 K CA -0.148 56.152 56.287 0.021 0.000 0.842 169 K CB 1.586 34.099 32.500 0.023 0.000 1.099 169 K HN 0.766 nan 8.250 nan 0.000 0.438 170 G N 2.659 111.455 108.800 -0.006 0.000 2.340 170 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.527 170 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.527 170 G C -0.474 174.390 174.900 -0.060 0.000 1.381 170 G CA -0.696 44.394 45.100 -0.017 0.000 1.001 170 G HN 0.588 nan 8.290 nan 0.000 0.626 171 D N -0.428 119.932 120.400 -0.066 0.000 2.103 171 D HA 0.003 4.642 4.640 -0.001 0.000 0.199 171 D C 2.056 178.271 176.300 -0.142 0.000 0.978 171 D CA 1.427 55.331 54.000 -0.160 0.000 0.829 171 D CB -0.051 40.723 40.800 -0.044 0.000 0.981 171 D HN 0.590 nan 8.370 nan 0.000 0.464 172 E N 0.483 120.677 120.200 -0.009 0.000 2.013 172 E HA -0.255 4.095 4.350 -0.001 0.000 0.202 172 E C 1.997 178.602 176.600 0.007 0.000 1.018 172 E CA 1.412 57.831 56.400 0.031 0.000 0.834 172 E CB -0.118 29.604 29.700 0.036 0.000 0.770 172 E HN 0.159 nan 8.360 nan 0.000 0.459 173 A N 1.095 123.911 122.820 -0.007 0.000 1.958 173 A HA -0.271 4.048 4.320 -0.001 0.000 0.221 173 A C 2.176 179.748 177.584 -0.021 0.000 1.178 173 A CA 1.990 54.022 52.037 -0.007 0.000 0.642 173 A CB -0.642 18.358 19.000 -0.001 0.000 0.816 173 A HN 0.277 nan 8.150 nan 0.000 0.453 174 R N -1.763 118.696 120.500 -0.068 0.000 2.093 174 R HA -0.061 4.279 4.340 -0.001 0.000 0.224 174 R C 2.001 178.266 176.300 -0.057 0.000 1.101 174 R CA 1.395 57.441 56.100 -0.091 0.000 0.979 174 R CB -0.296 29.904 30.300 -0.167 0.000 0.877 174 R HN 0.775 nan 8.270 nan 0.000 0.441 175 H N -1.239 117.824 119.070 -0.012 0.000 2.372 175 H HA 0.012 4.568 4.556 -0.001 0.000 0.301 175 H C 1.875 177.180 175.328 -0.038 0.000 1.065 175 H CA 1.614 57.644 56.048 -0.030 0.000 1.364 175 H CB 0.246 29.980 29.762 -0.046 0.000 1.406 175 H HN 0.154 nan 8.280 nan 0.000 0.521 176 T N 1.174 115.783 114.554 0.091 0.000 2.643 176 T HA -0.120 4.230 4.350 -0.001 0.000 0.264 176 T C 2.063 176.770 174.700 0.012 0.000 1.045 176 T CA 0.988 63.109 62.100 0.034 0.000 1.155 176 T CB -0.295 68.586 68.868 0.022 0.000 0.863 176 T HN 0.201 nan 8.240 nan 0.000 0.420 177 L N 0.332 121.557 121.223 0.003 0.000 2.265 177 L HA -0.021 4.319 4.340 -0.001 0.000 0.215 177 L C 2.358 179.218 176.870 -0.016 0.000 1.117 177 L CA 0.598 55.428 54.840 -0.017 0.000 0.782 177 L CB -0.491 41.552 42.059 -0.027 0.000 0.914 177 L HN 0.221 nan 8.230 nan 0.000 0.441 178 L N -0.183 121.043 121.223 0.005 0.000 2.095 178 L HA -0.024 4.316 4.340 -0.001 0.000 0.204 178 L C 2.642 179.507 176.870 -0.010 0.000 1.080 178 L CA 1.637 56.481 54.840 0.006 0.000 0.759 178 L CB -0.433 41.650 42.059 0.040 0.000 0.914 178 L HN 0.111 nan 8.230 nan 0.000 0.439 179 A N -1.172 121.642 122.820 -0.010 0.000 1.854 179 A HA -0.204 4.116 4.320 -0.001 0.000 0.214 179 A C 2.396 179.961 177.584 -0.032 0.000 1.192 179 A CA 2.164 54.180 52.037 -0.036 0.000 0.611 179 A CB -1.328 17.645 19.000 -0.044 0.000 0.832 179 A HN 0.536 nan 8.150 nan 0.000 0.442 180 T N -2.089 112.451 114.554 -0.024 0.000 2.720 180 T HA -0.033 4.316 4.350 -0.001 0.000 0.268 180 T C 1.911 176.590 174.700 -0.035 0.000 1.037 180 T CA 1.977 64.062 62.100 -0.025 0.000 1.144 180 T CB -1.032 67.823 68.868 -0.022 0.000 0.864 180 T HN 0.449 nan 8.240 nan 0.000 0.444 181 G N 1.314 110.091 108.800 -0.038 0.000 2.446 181 G HA2 0.003 3.963 3.960 -0.001 0.000 0.217 181 G HA3 0.003 3.963 3.960 -0.001 0.000 0.217 181 G C 1.976 176.851 174.900 -0.041 0.000 1.168 181 G CA 1.020 46.094 45.100 -0.045 0.000 0.771 181 G HN 0.817 nan 8.290 nan 0.000 0.551 182 A N 0.721 123.523 122.820 -0.031 0.000 2.015 182 A HA 0.412 4.731 4.320 -0.001 0.000 0.219 182 A C 2.715 180.306 177.584 0.011 0.000 1.163 182 A CA 1.962 53.990 52.037 -0.015 0.000 0.646 182 A CB -0.492 18.501 19.000 -0.013 0.000 0.806 182 A HN 0.697 nan 8.150 nan 0.000 0.448 183 A N 0.053 122.873 122.820 0.000 0.000 1.854 183 A HA 0.254 4.573 4.320 -0.001 0.000 0.214 183 A C 2.499 180.067 177.584 -0.027 0.000 1.192 183 A CA 1.740 53.784 52.037 0.012 0.000 0.611 183 A CB -1.146 17.846 19.000 -0.012 0.000 0.832 183 A HN 1.049 nan 8.150 nan 0.000 0.442 184 A N -0.386 122.407 122.820 -0.045 0.000 2.024 184 A HA 0.069 4.389 4.320 -0.001 0.000 0.220 184 A C 2.316 179.857 177.584 -0.072 0.000 1.164 184 A CA 2.013 54.015 52.037 -0.058 0.000 0.643 184 A CB -1.328 17.642 19.000 -0.051 0.000 0.806 184 A HN 0.728 nan 8.150 nan 0.000 0.451 185 G N -0.225 108.530 108.800 -0.074 0.000 2.433 185 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.216 185 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.216 185 G C 1.502 176.307 174.900 -0.159 0.000 1.186 185 G CA 1.137 46.171 45.100 -0.110 0.000 0.779 185 G HN 0.495 nan 8.290 nan 0.000 0.543 186 L N 1.102 122.245 121.223 -0.135 0.000 2.093 186 L HA 0.205 4.545 4.340 -0.001 0.000 0.208 186 L C 3.133 179.925 176.870 -0.130 0.000 1.085 186 L CA 1.865 56.597 54.840 -0.180 0.000 0.755 186 L CB -0.477 41.490 42.059 -0.153 0.000 0.904 186 L HN 0.256 nan 8.230 nan 0.000 0.435 187 A N -0.117 122.643 122.820 -0.100 0.000 1.849 187 A HA -0.231 4.088 4.320 -0.001 0.000 0.217 187 A C 2.322 179.794 177.584 -0.187 0.000 1.202 187 A CA 2.083 54.058 52.037 -0.104 0.000 0.629 187 A CB -1.365 17.579 19.000 -0.093 0.000 0.834 187 A HN 0.525 nan 8.150 nan 0.000 0.447 188 A N -1.117 121.584 122.820 -0.198 0.000 2.239 188 A HA 0.415 4.734 4.320 -0.001 0.000 0.209 188 A C 2.007 179.354 177.584 -0.396 0.000 1.171 188 A CA 1.394 53.264 52.037 -0.278 0.000 0.768 188 A CB -0.622 18.337 19.000 -0.069 0.000 0.790 188 A HN 1.044 nan 8.150 nan 0.000 0.478 189 A N -2.135 120.446 122.820 -0.399 0.000 2.147 189 A HA 0.478 4.797 4.320 -0.001 0.000 0.211 189 A C 1.120 178.261 177.584 -0.739 0.000 1.160 189 A CA 0.558 52.261 52.037 -0.557 0.000 0.781 189 A CB -0.127 18.454 19.000 -0.697 0.000 0.842 189 A HN 0.497 nan 8.150 nan 0.000 0.475 190 F N -2.175 117.623 119.950 -0.254 0.000 2.915 190 F HA 0.213 4.739 4.527 -0.001 0.000 0.347 190 F C 0.853 176.475 175.800 -0.297 0.000 1.104 190 F CA -0.131 57.744 58.000 -0.209 0.000 1.126 190 F CB 0.614 39.544 39.000 -0.116 0.000 1.145 190 F HN 0.190 nan 8.300 nan 0.000 0.541 191 N N 1.854 120.341 118.700 -0.356 0.000 2.714 191 N HA -0.229 4.511 4.740 -0.001 0.000 0.250 191 N C -0.460 174.995 175.510 -0.092 0.000 1.117 191 N CA 0.772 53.641 53.050 -0.303 0.000 0.719 191 N CB -0.872 37.526 38.487 -0.148 0.000 1.081 191 N HN 0.323 nan 8.380 nan 0.000 0.557 192 A N -0.064 122.723 122.820 -0.056 0.000 2.644 192 A HA 0.516 4.836 4.320 -0.001 0.000 0.343 192 A C -1.039 176.510 177.584 -0.058 0.000 1.324 192 A CA -0.986 51.030 52.037 -0.035 0.000 0.846 192 A CB 0.980 19.973 19.000 -0.011 0.000 1.128 192 A HN 0.150 nan 8.150 nan 0.000 0.484 193 P HA -0.234 nan 4.420 nan 0.000 0.213 193 P C 1.583 178.787 177.300 -0.160 0.000 1.170 193 P CA 1.205 64.227 63.100 -0.129 0.000 0.902 193 P CB 0.035 31.652 31.700 -0.139 0.000 0.789 194 L N -0.750 120.388 121.223 -0.142 0.000 2.079 194 L HA -0.189 4.151 4.340 -0.001 0.000 0.210 194 L C 2.820 179.646 176.870 -0.074 0.000 1.081 194 L CA 1.774 56.536 54.840 -0.129 0.000 0.752 194 L CB -1.455 40.559 42.059 -0.075 0.000 0.896 194 L HN -0.044 nan 8.230 nan 0.000 0.433 195 A N 0.575 123.365 122.820 -0.050 0.000 1.902 195 A HA -0.124 4.196 4.320 -0.001 0.000 0.217 195 A C 2.458 180.057 177.584 0.026 0.000 1.181 195 A CA 1.781 53.809 52.037 -0.016 0.000 0.623 195 A CB -1.311 17.665 19.000 -0.041 0.000 0.818 195 A HN 0.438 nan 8.150 nan 0.000 0.443 196 G N 0.297 109.096 108.800 -0.002 0.000 2.459 196 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.217 196 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.217 196 G C 1.517 176.445 174.900 0.047 0.000 1.183 196 G CA 1.268 46.388 45.100 0.033 0.000 0.776 196 G HN 0.501 nan 8.290 nan 0.000 0.552 197 I N 0.385 120.925 120.570 -0.049 0.000 2.163 197 I HA -0.124 4.045 4.170 -0.001 0.000 0.243 197 I C 2.505 178.632 176.117 0.017 0.000 1.085 197 I CA 0.557 61.824 61.300 -0.056 0.000 1.347 197 I CB -0.229 37.662 38.000 -0.181 0.000 1.044 197 I HN 0.053 nan 8.210 nan 0.000 0.408 198 L N -0.358 120.887 121.223 0.037 0.000 2.275 198 L HA -0.170 4.170 4.340 -0.001 0.000 0.215 198 L C 2.434 179.387 176.870 0.138 0.000 1.119 198 L CA 1.650 56.531 54.840 0.068 0.000 0.790 198 L CB -1.078 41.014 42.059 0.055 0.000 0.919 198 L HN 0.259 nan 8.230 nan 0.000 0.443 199 F N 0.785 120.725 119.950 -0.016 0.000 2.146 199 F HA -0.202 4.325 4.527 -0.001 0.000 0.298 199 F C 2.324 178.115 175.800 -0.016 0.000 1.096 199 F CA 1.056 59.057 58.000 0.002 0.000 1.275 199 F CB -0.260 38.735 39.000 -0.008 0.000 1.008 199 F HN -0.046 nan 8.300 nan 0.000 0.480 200 I N 1.038 121.553 120.570 -0.092 0.000 2.226 200 I HA -0.248 3.922 4.170 -0.001 0.000 0.245 200 I C 2.122 178.136 176.117 -0.172 0.000 1.100 200 I CA 1.579 62.758 61.300 -0.202 0.000 1.374 200 I CB -0.718 37.220 38.000 -0.102 0.000 1.057 200 I HN 0.293 nan 8.210 nan 0.000 0.413 201 I N -3.251 117.267 120.570 -0.086 0.000 3.810 201 I HA 0.169 4.338 4.170 -0.001 0.000 0.322 201 I C 1.554 177.629 176.117 -0.070 0.000 1.288 201 I CA 0.563 61.819 61.300 -0.075 0.000 1.143 201 I CB -0.213 37.770 38.000 -0.029 0.000 1.012 201 I HN 0.195 nan 8.210 nan 0.000 0.423 202 E N 0.869 121.024 120.200 -0.075 0.000 2.467 202 E HA -0.019 4.331 4.350 -0.001 0.000 0.213 202 E C 1.301 177.851 176.600 -0.084 0.000 0.823 202 E CA 0.337 56.708 56.400 -0.048 0.000 1.233 202 E CB 0.806 30.522 29.700 0.028 0.000 1.233 202 E HN 0.537 nan 8.360 nan 0.000 0.585 203 E N -0.837 119.264 120.200 -0.164 0.000 2.717 203 E HA 0.105 4.454 4.350 -0.001 0.000 0.204 203 E C 1.717 178.120 176.600 -0.329 0.000 0.911 203 E CA 0.210 56.490 56.400 -0.200 0.000 1.370 203 E CB 0.048 29.704 29.700 -0.073 0.000 1.315 203 E HN -0.039 nan 8.360 nan 0.000 0.643 204 M N 1.757 121.036 119.600 -0.536 0.000 2.099 204 M HA 0.035 4.515 4.480 -0.001 0.000 0.262 204 M C 0.787 176.919 176.300 -0.280 0.000 1.067 204 M CA 1.076 56.101 55.300 -0.458 0.000 1.124 204 M CB -1.213 31.054 32.600 -0.555 0.000 1.353 204 M HN 0.088 nan 8.290 nan 0.000 0.410 205 R N 1.592 121.936 120.500 -0.260 0.000 2.697 205 R HA 0.070 4.410 4.340 -0.001 0.000 0.265 205 R C -2.493 173.671 176.300 -0.228 0.000 1.009 205 R CA -1.092 54.869 56.100 -0.232 0.000 1.099 205 R CB -1.357 28.813 30.300 -0.216 0.000 0.965 205 R HN 0.011 nan 8.270 nan 0.000 0.428 206 P HA -0.101 nan 4.420 nan 0.000 0.255 206 P C -0.368 176.800 177.300 -0.221 0.000 1.173 206 P CA 0.455 63.448 63.100 -0.177 0.000 0.780 206 P CB 0.611 32.201 31.700 -0.185 0.000 0.758 207 Q N 2.541 122.131 119.800 -0.351 0.000 2.378 207 Q HA 0.008 4.347 4.340 -0.001 0.000 0.205 207 Q C 0.519 176.048 176.000 -0.786 0.000 0.954 207 Q CA 1.620 56.999 55.803 -0.706 0.000 0.901 207 Q CB -0.144 27.915 28.738 -1.133 0.000 0.981 207 Q HN 0.472 nan 8.270 nan 0.000 0.483 208 F N -1.214 118.720 119.950 -0.026 0.000 2.784 208 F HA 0.301 4.828 4.527 -0.000 0.000 0.323 208 F C 0.592 176.396 175.800 0.008 0.000 1.085 208 F CA -0.585 57.411 58.000 -0.007 0.000 1.196 208 F CB 0.479 39.476 39.000 -0.005 0.000 1.053 208 F HN -0.127 nan 8.300 nan 0.000 0.578 209 R N -1.197 119.381 120.500 0.131 0.000 2.912 209 R HA 0.420 4.760 4.340 -0.001 0.000 0.262 209 R C -1.321 175.027 176.300 0.080 0.000 1.057 209 R CA -0.878 55.290 56.100 0.112 0.000 0.981 209 R CB 0.673 31.038 30.300 0.107 0.000 1.201 209 R HN -0.026 nan 8.270 nan 0.000 0.484 210 Y N 1.253 121.554 120.300 0.002 0.000 2.425 210 Y HA 0.219 4.769 4.550 -0.001 0.000 0.331 210 Y C -0.838 175.048 175.900 -0.024 0.000 1.157 210 Y CA 0.823 58.916 58.100 -0.013 0.000 1.372 210 Y CB 1.044 39.505 38.460 0.001 0.000 1.253 210 Y HN 0.695 nan 8.280 nan 0.000 0.536 211 T N 6.491 120.581 114.554 -0.773 0.000 2.924 211 T HA 0.342 4.692 4.350 -0.001 0.000 0.291 211 T C -0.114 174.160 174.700 -0.709 0.000 1.045 211 T CA -0.839 60.917 62.100 -0.574 0.000 1.015 211 T CB 1.456 70.056 68.868 -0.447 0.000 1.103 211 T HN 0.486 nan 8.240 nan 0.000 0.496 212 L N 1.251 122.319 121.223 -0.260 0.000 2.805 212 L HA 0.371 4.710 4.340 -0.001 0.000 0.237 212 L C -0.001 176.832 176.870 -0.063 0.000 1.252 212 L CA 0.276 55.056 54.840 -0.101 0.000 1.064 212 L CB -0.884 41.215 42.059 0.068 0.000 1.361 212 L HN 0.539 nan 8.230 nan 0.000 0.474 213 I N -0.454 120.032 120.570 -0.140 0.000 2.421 213 I HA 0.016 4.186 4.170 -0.001 0.000 0.291 213 I C 0.883 176.971 176.117 -0.048 0.000 1.089 213 I CA 0.199 61.453 61.300 -0.077 0.000 1.354 213 I CB 0.680 38.612 38.000 -0.112 0.000 1.413 213 I HN 0.090 nan 8.210 nan 0.000 0.513 214 S N 6.495 122.190 115.700 -0.008 0.000 2.416 214 S HA 0.315 4.785 4.470 -0.001 0.000 0.287 214 S C 1.252 175.867 174.600 0.025 0.000 1.139 214 S CA -0.589 57.617 58.200 0.010 0.000 1.058 214 S CB 0.252 63.463 63.200 0.017 0.000 0.967 214 S HN 0.511 nan 8.310 nan 0.000 0.495 215 I N 4.999 125.589 120.570 0.032 0.000 2.208 215 I HA -0.186 3.984 4.170 -0.001 0.000 0.245 215 I C 2.548 178.737 176.117 0.121 0.000 1.097 215 I CA 1.230 62.579 61.300 0.081 0.000 1.363 215 I CB -0.225 37.820 38.000 0.074 0.000 1.051 215 I HN 0.644 nan 8.210 nan 0.000 0.413 216 K N 1.338 121.758 120.400 0.034 0.000 2.063 216 K HA -0.230 4.089 4.320 -0.001 0.000 0.208 216 K C 2.173 178.817 176.600 0.073 0.000 1.048 216 K CA 1.689 57.975 56.287 -0.001 0.000 0.928 216 K CB -0.129 32.347 32.500 -0.039 0.000 0.713 216 K HN 0.341 nan 8.250 nan 0.000 0.442 217 A N 0.468 123.323 122.820 0.059 0.000 1.929 217 A HA -0.051 4.269 4.320 -0.001 0.000 0.216 217 A C 2.189 179.812 177.584 0.066 0.000 1.176 217 A CA 1.267 53.334 52.037 0.050 0.000 0.628 217 A CB -0.427 18.588 19.000 0.025 0.000 0.816 217 A HN 0.160 nan 8.150 nan 0.000 0.444 218 V N -1.045 118.919 119.914 0.084 0.000 2.233 218 V HA -0.272 3.848 4.120 -0.001 0.000 0.247 218 V C 2.190 178.337 176.094 0.090 0.000 1.050 218 V CA 2.208 64.548 62.300 0.067 0.000 1.010 218 V CB -1.135 30.723 31.823 0.059 0.000 0.637 218 V HN 0.527 nan 8.190 nan 0.000 0.444 219 F N 0.146 120.086 119.950 -0.015 0.000 2.037 219 F HA -0.323 4.204 4.527 -0.001 0.000 0.296 219 F C 2.286 178.077 175.800 -0.016 0.000 1.132 219 F CA 2.499 60.492 58.000 -0.012 0.000 1.211 219 F CB -0.583 38.411 39.000 -0.010 0.000 0.951 219 F HN 0.026 nan 8.300 nan 0.000 0.503 220 I N -0.524 120.175 120.570 0.214 0.000 2.185 220 I HA -0.351 3.818 4.170 -0.001 0.000 0.246 220 I C 2.648 178.784 176.117 0.032 0.000 1.088 220 I CA 1.623 62.984 61.300 0.101 0.000 1.347 220 I CB -1.316 36.720 38.000 0.060 0.000 1.041 220 I HN 0.322 nan 8.210 nan 0.000 0.415 221 G N 0.271 109.078 108.800 0.011 0.000 2.402 221 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.216 221 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.216 221 G C 1.703 176.582 174.900 -0.035 0.000 1.162 221 G CA 0.734 45.818 45.100 -0.026 0.000 0.777 221 G HN 0.251 nan 8.290 nan 0.000 0.539 222 V N 1.270 121.155 119.914 -0.050 0.000 2.295 222 V HA -0.158 3.962 4.120 -0.001 0.000 0.246 222 V C 2.779 178.833 176.094 -0.066 0.000 1.049 222 V CA 1.494 63.742 62.300 -0.086 0.000 1.024 222 V CB -0.454 31.265 31.823 -0.173 0.000 0.648 222 V HN 0.388 nan 8.190 nan 0.000 0.447 223 I N -0.656 119.887 120.570 -0.045 0.000 2.087 223 I HA -0.346 3.823 4.170 -0.001 0.000 0.240 223 I C 2.661 178.780 176.117 0.003 0.000 1.054 223 I CA 1.759 63.055 61.300 -0.008 0.000 1.311 223 I CB -0.471 37.552 38.000 0.038 0.000 1.024 223 I HN 0.252 nan 8.210 nan 0.000 0.402 224 M N 0.560 120.160 119.600 -0.000 0.000 2.082 224 M HA -0.204 4.275 4.480 -0.001 0.000 0.258 224 M C 2.698 179.009 176.300 0.019 0.000 1.069 224 M CA 2.412 57.713 55.300 0.002 0.000 1.102 224 M CB -1.725 30.861 32.600 -0.023 0.000 1.336 224 M HN 0.481 nan 8.290 nan 0.000 0.404 225 S N -0.863 114.842 115.700 0.008 0.000 2.383 225 S HA -0.103 4.367 4.470 -0.001 0.000 0.227 225 S C 1.903 176.546 174.600 0.072 0.000 1.026 225 S CA 1.711 59.927 58.200 0.027 0.000 0.981 225 S CB -0.775 62.420 63.200 -0.009 0.000 0.818 225 S HN 0.484 nan 8.310 nan 0.000 0.472 226 T N 2.929 117.511 114.554 0.047 0.000 2.701 226 T HA 0.103 4.452 4.350 -0.001 0.000 0.263 226 T C 1.770 176.552 174.700 0.136 0.000 1.040 226 T CA 1.505 63.655 62.100 0.082 0.000 1.147 226 T CB -0.545 68.338 68.868 0.024 0.000 0.865 226 T HN 0.378 nan 8.240 nan 0.000 0.426 227 I N 0.916 121.535 120.570 0.082 0.000 2.194 227 I HA -0.228 3.942 4.170 -0.001 0.000 0.246 227 I C 2.550 178.729 176.117 0.103 0.000 1.093 227 I CA 1.164 62.505 61.300 0.068 0.000 1.355 227 I CB -0.338 37.682 38.000 0.034 0.000 1.046 227 I HN 0.218 nan 8.210 nan 0.000 0.413 228 M N -0.705 118.975 119.600 0.134 0.000 2.159 228 M HA -0.242 4.238 4.480 -0.001 0.000 0.263 228 M C 2.405 178.893 176.300 0.314 0.000 1.063 228 M CA 1.856 57.280 55.300 0.207 0.000 1.110 228 M CB -1.318 31.374 32.600 0.153 0.000 1.374 228 M HN 0.287 nan 8.290 nan 0.000 0.411 229 Y N 1.263 121.646 120.300 0.139 0.000 2.200 229 Y HA -0.129 4.421 4.550 -0.001 0.000 0.290 229 Y C 2.391 178.408 175.900 0.195 0.000 1.137 229 Y CA 1.619 59.809 58.100 0.150 0.000 1.163 229 Y CB -0.054 38.450 38.460 0.073 0.000 0.988 229 Y HN 0.075 nan 8.280 nan 0.000 0.518 230 R N 0.371 120.986 120.500 0.193 0.000 2.115 230 R HA -0.094 4.245 4.340 -0.001 0.000 0.230 230 R C 2.152 178.426 176.300 -0.045 0.000 1.111 230 R CA 1.409 57.557 56.100 0.081 0.000 0.976 230 R CB -0.801 29.555 30.300 0.092 0.000 0.870 230 R HN 0.466 nan 8.270 nan 0.000 0.445 231 I N 0.107 120.644 120.570 -0.055 0.000 3.083 231 I HA -0.189 3.980 4.170 -0.001 0.000 0.273 231 I C 0.882 176.719 176.117 -0.466 0.000 1.297 231 I CA 1.175 62.297 61.300 -0.298 0.000 1.452 231 I CB -0.001 37.833 38.000 -0.277 0.000 1.078 231 I HN 0.022 nan 8.210 nan 0.000 0.484 232 F N -1.162 118.766 119.950 -0.036 0.000 2.784 232 F HA 0.192 4.719 4.527 -0.000 0.000 0.316 232 F C 1.407 177.173 175.800 -0.056 0.000 1.026 232 F CA -0.089 57.897 58.000 -0.024 0.000 1.188 232 F CB 0.178 39.129 39.000 -0.082 0.000 0.999 232 F HN -0.071 nan 8.300 nan 0.000 0.605 233 N N -0.242 118.441 118.700 -0.028 0.000 2.241 233 N HA 0.064 4.804 4.740 -0.001 0.000 0.238 233 N C -0.328 175.130 175.510 -0.086 0.000 1.244 233 N CA -0.078 52.841 53.050 -0.219 0.000 0.880 233 N CB -0.145 37.904 38.487 -0.730 0.000 1.179 233 N HN 0.443 nan 8.380 nan 0.000 0.513 234 H N 0.326 119.330 119.070 -0.110 0.000 2.836 234 H HA 0.175 4.730 4.556 -0.001 0.000 0.368 234 H C 0.363 175.676 175.328 -0.024 0.000 1.164 234 H CA 0.033 56.058 56.048 -0.039 0.000 1.425 234 H CB 0.687 30.427 29.762 -0.037 0.000 1.414 234 H HN -0.147 nan 8.280 nan 0.000 0.614 235 E N -1.164 119.019 120.200 -0.028 0.000 4.071 235 E HA -0.174 4.176 4.350 -0.001 0.000 0.355 235 E C -0.842 175.722 176.600 -0.060 0.000 0.653 235 E CA 1.102 57.455 56.400 -0.078 0.000 1.298 235 E CB -1.604 27.987 29.700 -0.182 0.000 1.712 235 E HN 0.419 nan 8.360 nan 0.000 0.416 236 V N 0.315 120.204 119.914 -0.043 0.000 2.524 236 V HA 0.716 4.836 4.120 -0.001 0.000 0.297 236 V C 0.242 176.354 176.094 0.029 0.000 1.035 236 V CA -0.257 62.035 62.300 -0.014 0.000 0.867 236 V CB 1.798 33.606 31.823 -0.025 0.000 1.004 236 V HN 0.302 nan 8.190 nan 0.000 0.426 237 A N 4.090 126.926 122.820 0.026 0.000 2.286 237 A HA 0.750 5.070 4.320 -0.001 0.000 0.286 237 A C 0.947 178.530 177.584 -0.001 0.000 1.097 237 A CA -0.435 51.620 52.037 0.031 0.000 0.821 237 A CB 0.635 19.641 19.000 0.009 0.000 1.076 237 A HN 0.873 nan 8.150 nan 0.000 0.490 238 L N 0.270 121.465 121.223 -0.045 0.000 2.109 238 L HA 0.044 4.383 4.340 -0.001 0.000 0.207 238 L C -0.139 176.599 176.870 -0.219 0.000 1.086 238 L CA 1.183 55.923 54.840 -0.168 0.000 0.760 238 L CB -0.377 41.463 42.059 -0.365 0.000 0.910 238 L HN 0.566 nan 8.230 nan 0.000 0.437 239 I N -0.957 119.507 120.570 -0.176 0.000 2.468 239 I HA 0.246 4.416 4.170 -0.001 0.000 0.285 239 I C -1.107 174.981 176.117 -0.047 0.000 1.039 239 I CA -0.492 60.747 61.300 -0.102 0.000 1.074 239 I CB 2.063 39.998 38.000 -0.109 0.000 1.228 239 I HN -0.199 nan 8.210 nan 0.000 0.436 240 D N 5.200 125.589 120.400 -0.018 0.000 2.303 240 D HA 0.452 5.092 4.640 -0.001 0.000 0.236 240 D C 0.289 176.588 176.300 -0.001 0.000 1.068 240 D CA -0.203 53.792 54.000 -0.008 0.000 0.830 240 D CB 2.427 43.225 40.800 -0.003 0.000 1.109 240 D HN 0.281 nan 8.370 nan 0.000 0.496 241 V N 2.029 121.942 119.914 -0.001 0.000 3.484 241 V HA 0.405 4.525 4.120 -0.001 0.000 0.252 241 V C 1.166 177.262 176.094 0.003 0.000 1.282 241 V CA 0.356 62.658 62.300 0.004 0.000 1.104 241 V CB -0.307 31.519 31.823 0.005 0.000 0.868 241 V HN 0.857 nan 8.190 nan 0.000 0.457 242 G N 1.447 110.248 108.800 0.001 0.000 2.796 242 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.571 242 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.571 242 G C -0.534 174.367 174.900 0.002 0.000 1.370 242 G CA -0.123 44.979 45.100 0.002 0.000 0.856 242 G HN 0.449 nan 8.290 nan 0.000 0.538 243 K N 0.634 121.036 120.400 0.004 0.000 2.292 243 K HA 0.529 4.849 4.320 -0.001 0.000 0.290 243 K C 1.043 177.645 176.600 0.004 0.000 1.083 243 K CA -0.506 55.782 56.287 0.003 0.000 0.918 243 K CB 0.063 32.566 32.500 0.005 0.000 1.089 243 K HN 0.467 nan 8.250 nan 0.000 0.473 244 L N 2.327 123.550 121.223 -0.001 0.000 2.482 244 L HA 0.224 4.563 4.340 -0.001 0.000 0.242 244 L C 0.888 177.758 176.870 0.001 0.000 1.210 244 L CA 0.043 54.885 54.840 0.004 0.000 0.819 244 L CB 0.827 42.885 42.059 -0.002 0.000 1.203 244 L HN 0.931 nan 8.230 nan 0.000 0.495 245 S N -0.455 115.252 115.700 0.012 0.000 2.626 245 S HA 0.155 4.625 4.470 -0.001 0.000 0.257 245 S C -0.340 174.252 174.600 -0.013 0.000 1.288 245 S CA -0.757 57.450 58.200 0.012 0.000 0.980 245 S CB 0.887 64.111 63.200 0.040 0.000 0.975 245 S HN 0.475 nan 8.310 nan 0.000 0.577 246 D N 0.268 120.659 120.400 -0.014 0.000 2.388 246 D HA 0.642 5.282 4.640 -0.001 0.000 0.254 246 D C -0.553 175.725 176.300 -0.036 0.000 1.111 246 D CA -0.193 53.782 54.000 -0.041 0.000 0.993 246 D CB 1.035 41.813 40.800 -0.036 0.000 1.118 246 D HN 0.821 nan 8.370 nan 0.000 0.502 247 A N 1.205 123.983 122.820 -0.070 0.000 2.360 247 A HA 0.576 4.895 4.320 -0.001 0.000 0.309 247 A C -2.394 175.163 177.584 -0.045 0.000 1.311 247 A CA -1.204 50.802 52.037 -0.052 0.000 0.805 247 A CB 0.236 19.169 19.000 -0.112 0.000 1.144 247 A HN 0.292 nan 8.150 nan 0.000 0.486 248 P HA 0.193 nan 4.420 nan 0.000 0.271 248 P C 1.038 178.321 177.300 -0.029 0.000 1.233 248 P CA -0.475 62.615 63.100 -0.016 0.000 0.789 248 P CB 0.591 32.298 31.700 0.013 0.000 0.951 249 L N 0.690 121.904 121.223 -0.014 0.000 2.056 249 L HA -0.154 4.186 4.340 -0.001 0.000 0.207 249 L C 1.821 178.696 176.870 0.008 0.000 1.078 249 L CA 1.533 56.371 54.840 -0.004 0.000 0.749 249 L CB -0.946 41.116 42.059 0.005 0.000 0.901 249 L HN 0.493 nan 8.230 nan 0.000 0.433 250 N N -1.108 117.590 118.700 -0.003 0.000 2.609 250 N HA -0.121 4.618 4.740 -0.001 0.000 0.190 250 N C 1.135 176.553 175.510 -0.153 0.000 1.157 250 N CA 1.042 54.094 53.050 0.004 0.000 0.918 250 N CB -0.535 37.997 38.487 0.076 0.000 0.978 250 N HN 0.185 nan 8.380 nan 0.000 0.448 251 T N 0.297 114.711 114.554 -0.232 0.000 3.023 251 T HA 0.281 4.631 4.350 -0.001 0.000 0.249 251 T C 1.757 176.315 174.700 -0.237 0.000 1.050 251 T CA -0.342 61.495 62.100 -0.438 0.000 1.088 251 T CB 0.164 68.835 68.868 -0.329 0.000 0.946 251 T HN 0.076 nan 8.240 nan 0.000 0.480 252 L N 1.670 122.908 121.223 0.026 0.000 2.137 252 L HA -0.151 4.188 4.340 -0.001 0.000 0.213 252 L C 2.747 179.694 176.870 0.128 0.000 1.085 252 L CA 1.495 56.424 54.840 0.148 0.000 0.760 252 L CB -0.549 41.570 42.059 0.099 0.000 0.893 252 L HN 0.597 nan 8.230 nan 0.000 0.434 253 W N 0.219 121.507 121.300 -0.020 0.000 2.374 253 W HA -0.164 4.496 4.660 -0.001 0.000 0.288 253 W C 1.744 178.274 176.519 0.018 0.000 1.218 253 W CA 0.567 57.910 57.345 -0.004 0.000 1.245 253 W CB -1.197 28.248 29.460 -0.025 0.000 1.126 253 W HN 0.162 nan 8.180 nan 0.000 0.545 254 L N 0.091 120.786 121.223 -0.880 0.000 2.046 254 L HA -0.246 4.093 4.340 -0.001 0.000 0.208 254 L C 2.678 179.401 176.870 -0.245 0.000 1.077 254 L CA 1.798 56.228 54.840 -0.683 0.000 0.747 254 L CB -1.187 40.478 42.059 -0.657 0.000 0.896 254 L HN -0.121 nan 8.230 nan 0.000 0.432 255 Y N -0.859 119.396 120.300 -0.074 0.000 2.352 255 Y HA -0.232 4.317 4.550 -0.001 0.000 0.292 255 Y C 2.298 178.144 175.900 -0.089 0.000 1.136 255 Y CA 0.518 58.563 58.100 -0.091 0.000 1.227 255 Y CB -0.113 38.249 38.460 -0.163 0.000 0.991 255 Y HN 0.109 nan 8.280 nan 0.000 0.545 256 L N 0.024 121.298 121.223 0.085 0.000 2.072 256 L HA -0.135 4.205 4.340 -0.001 0.000 0.205 256 L C 2.008 178.904 176.870 0.044 0.000 1.079 256 L CA 1.527 56.413 54.840 0.078 0.000 0.752 256 L CB -0.597 41.538 42.059 0.127 0.000 0.906 256 L HN 0.191 nan 8.230 nan 0.000 0.436 257 I N -1.064 119.523 120.570 0.029 0.000 2.179 257 I HA -0.291 3.878 4.170 -0.001 0.000 0.242 257 I C 2.378 178.390 176.117 -0.175 0.000 1.088 257 I CA 1.278 62.588 61.300 0.016 0.000 1.357 257 I CB -0.343 37.738 38.000 0.135 0.000 1.051 257 I HN 0.330 nan 8.210 nan 0.000 0.409 258 L N 1.189 122.119 121.223 -0.489 0.000 2.042 258 L HA -0.140 4.200 4.340 -0.001 0.000 0.210 258 L C 2.295 179.104 176.870 -0.102 0.000 1.076 258 L CA 2.313 56.742 54.840 -0.686 0.000 0.749 258 L CB -1.180 40.415 42.059 -0.772 0.000 0.893 258 L HN 0.201 nan 8.230 nan 0.000 0.432 259 G N -0.390 108.393 108.800 -0.029 0.000 2.422 259 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.218 259 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.218 259 G C 1.618 176.575 174.900 0.096 0.000 1.146 259 G CA 1.143 46.275 45.100 0.053 0.000 0.769 259 G HN 0.500 nan 8.290 nan 0.000 0.547 260 I N 0.538 121.141 120.570 0.056 0.000 2.226 260 I HA -0.119 4.051 4.170 -0.001 0.000 0.245 260 I C 2.619 178.775 176.117 0.064 0.000 1.100 260 I CA 0.721 62.064 61.300 0.073 0.000 1.374 260 I CB -0.156 37.889 38.000 0.075 0.000 1.057 260 I HN 0.143 nan 8.210 nan 0.000 0.413 261 I N -0.075 120.501 120.570 0.011 0.000 2.226 261 I HA -0.308 3.862 4.170 -0.001 0.000 0.245 261 I C 2.288 178.374 176.117 -0.052 0.000 1.100 261 I CA 1.703 62.974 61.300 -0.048 0.000 1.374 261 I CB -0.354 37.552 38.000 -0.157 0.000 1.057 261 I HN 0.105 nan 8.210 nan 0.000 0.413 262 F N 0.851 120.777 119.950 -0.040 0.000 2.293 262 F HA -0.076 4.450 4.527 -0.000 0.000 0.300 262 F C 2.458 178.286 175.800 0.047 0.000 1.086 262 F CA 1.260 59.269 58.000 0.014 0.000 1.375 262 F CB -0.611 38.366 39.000 -0.038 0.000 1.045 262 F HN 0.020 nan 8.300 nan 0.000 0.516 263 G N 0.571 109.487 108.800 0.193 0.000 2.408 263 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.217 263 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.217 263 G C 1.611 176.569 174.900 0.097 0.000 1.150 263 G CA 1.100 46.274 45.100 0.124 0.000 0.776 263 G HN 0.522 nan 8.290 nan 0.000 0.542 264 I N -3.614 117.014 120.570 0.097 0.000 2.703 264 I HA 0.341 4.510 4.170 -0.001 0.000 0.259 264 I C 2.351 178.506 176.117 0.063 0.000 1.151 264 I CA 0.459 61.803 61.300 0.075 0.000 1.470 264 I CB -0.176 37.869 38.000 0.076 0.000 1.112 264 I HN 0.006 nan 8.210 nan 0.000 0.437 265 F N 2.628 122.537 119.950 -0.068 0.000 2.293 265 F HA 0.268 4.795 4.527 -0.001 0.000 0.297 265 F C 2.297 178.046 175.800 -0.084 0.000 1.089 265 F CA 0.995 58.928 58.000 -0.112 0.000 1.377 265 F CB -0.482 38.426 39.000 -0.154 0.000 1.051 265 F HN 0.086 nan 8.300 nan 0.000 0.511 266 G N 1.295 110.121 108.800 0.043 0.000 2.529 266 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.219 266 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.219 266 G C -0.787 174.050 174.900 -0.105 0.000 1.177 266 G CA 1.186 46.292 45.100 0.010 0.000 0.773 266 G HN 0.325 nan 8.290 nan 0.000 0.573 267 P HA 0.102 nan 4.420 nan 0.000 0.220 267 P C 1.915 179.045 177.300 -0.285 0.000 1.152 267 P CA 0.431 63.443 63.100 -0.147 0.000 0.812 267 P CB 0.000 31.648 31.700 -0.087 0.000 0.792 268 I N -1.790 118.520 120.570 -0.434 0.000 2.286 268 I HA -0.228 3.941 4.170 -0.001 0.000 0.248 268 I C 2.165 177.558 176.117 -1.208 0.000 1.115 268 I CA 1.364 62.231 61.300 -0.722 0.000 1.392 268 I CB -0.491 37.095 38.000 -0.690 0.000 1.065 268 I HN -0.135 nan 8.210 nan 0.000 0.418 269 F N 1.688 120.891 119.950 -1.245 0.000 2.259 269 F HA -0.125 4.401 4.527 -0.001 0.000 0.298 269 F C 2.092 177.636 175.800 -0.427 0.000 1.088 269 F CA 1.519 58.942 58.000 -0.962 0.000 1.358 269 F CB -0.487 37.999 39.000 -0.857 0.000 1.040 269 F HN 0.060 nan 8.300 nan 0.000 0.505 270 N N 0.102 118.618 118.700 -0.308 0.000 2.120 270 N HA -0.196 4.544 4.740 -0.001 0.000 0.188 270 N C 1.804 177.198 175.510 -0.192 0.000 1.024 270 N CA 1.117 54.044 53.050 -0.206 0.000 0.852 270 N CB -0.101 38.326 38.487 -0.099 0.000 1.003 270 N HN 0.281 nan 8.380 nan 0.000 0.424 271 K N 0.254 120.527 120.400 -0.212 0.000 2.032 271 K HA -0.171 4.149 4.320 -0.001 0.000 0.209 271 K C 1.835 178.463 176.600 0.046 0.000 1.048 271 K CA 1.318 57.555 56.287 -0.083 0.000 0.927 271 K CB -0.120 32.336 32.500 -0.073 0.000 0.712 271 K HN 0.301 nan 8.250 nan 0.000 0.441 272 W N 0.250 121.428 121.300 -0.202 0.000 2.355 272 W HA -0.129 4.530 4.660 -0.001 0.000 0.309 272 W C 2.199 178.582 176.519 -0.228 0.000 1.206 272 W CA 0.145 57.365 57.345 -0.207 0.000 1.284 272 W CB -1.358 27.963 29.460 -0.232 0.000 1.145 272 W HN -0.076 nan 8.180 nan 0.000 0.502 273 V N 0.915 120.752 119.914 -0.127 0.000 2.332 273 V HA -0.272 3.847 4.120 -0.001 0.000 0.248 273 V C 2.146 178.244 176.094 0.007 0.000 1.055 273 V CA 1.793 64.033 62.300 -0.100 0.000 1.038 273 V CB -0.550 31.151 31.823 -0.202 0.000 0.651 273 V HN 0.089 nan 8.190 nan 0.000 0.450 274 L N 0.214 121.434 121.223 -0.005 0.000 1.994 274 L HA -0.022 4.317 4.340 -0.001 0.000 0.208 274 L C 2.702 179.576 176.870 0.007 0.000 1.071 274 L CA 1.891 56.736 54.840 0.009 0.000 0.745 274 L CB -1.241 40.820 42.059 0.003 0.000 0.892 274 L HN 0.463 nan 8.230 nan 0.000 0.431 275 G N -0.851 107.963 108.800 0.023 0.000 2.432 275 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.219 275 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.219 275 G C 1.521 176.416 174.900 -0.008 0.000 1.135 275 G CA 0.609 45.718 45.100 0.016 0.000 0.767 275 G HN 0.155 nan 8.290 nan 0.000 0.550 276 M N 0.149 119.746 119.600 -0.004 0.000 2.419 276 M HA 0.175 4.655 4.480 -0.001 0.000 0.264 276 M C 2.454 178.740 176.300 -0.023 0.000 1.082 276 M CA 0.830 56.116 55.300 -0.024 0.000 1.119 276 M CB -0.153 32.438 32.600 -0.015 0.000 1.398 276 M HN 0.236 nan 8.290 nan 0.000 0.453 277 Q N -0.183 119.608 119.800 -0.015 0.000 2.124 277 Q HA -0.192 4.148 4.340 -0.001 0.000 0.202 277 Q C 1.255 177.231 176.000 -0.041 0.000 0.977 277 Q CA 1.556 57.343 55.803 -0.026 0.000 0.850 277 Q CB -0.047 28.671 28.738 -0.034 0.000 0.901 277 Q HN 0.512 nan 8.270 nan 0.000 0.429 278 D N 0.452 120.826 120.400 -0.043 0.000 2.103 278 D HA -0.119 4.521 4.640 -0.001 0.000 0.199 278 D C 1.835 178.106 176.300 -0.049 0.000 0.978 278 D CA 0.617 54.591 54.000 -0.044 0.000 0.829 278 D CB -0.191 40.586 40.800 -0.038 0.000 0.981 278 D HN 0.152 nan 8.370 nan 0.000 0.464 279 L N 0.397 121.581 121.223 -0.065 0.000 2.131 279 L HA -0.072 4.267 4.340 -0.001 0.000 0.210 279 L C 2.077 178.858 176.870 -0.148 0.000 1.092 279 L CA 0.830 55.615 54.840 -0.092 0.000 0.759 279 L CB 0.001 42.011 42.059 -0.082 0.000 0.903 279 L HN -0.020 nan 8.230 nan 0.000 0.435 280 L N -1.483 119.648 121.223 -0.152 0.000 2.395 280 L HA -0.144 4.196 4.340 -0.001 0.000 0.218 280 L C 2.142 178.679 176.870 -0.554 0.000 1.130 280 L CA 0.320 55.013 54.840 -0.246 0.000 0.826 280 L CB -0.455 41.531 42.059 -0.121 0.000 0.941 280 L HN 0.321 nan 8.230 nan 0.000 0.451 281 H N 0.221 118.975 119.070 -0.527 0.000 2.502 281 H HA -0.008 4.547 4.556 -0.001 0.000 0.283 281 H C 2.289 177.230 175.328 -0.645 0.000 1.015 281 H CA 1.155 56.803 56.048 -0.667 0.000 1.298 281 H CB 0.277 29.882 29.762 -0.261 0.000 1.411 281 H HN 0.109 nan 8.280 nan 0.000 0.556 282 R N -0.756 119.500 120.500 -0.407 0.000 2.073 282 R HA -0.049 4.290 4.340 -0.001 0.000 0.229 282 R C 2.176 178.254 176.300 -0.370 0.000 1.120 282 R CA 1.265 57.179 56.100 -0.310 0.000 0.967 282 R CB -0.153 30.041 30.300 -0.177 0.000 0.862 282 R HN 0.160 nan 8.270 nan 0.000 0.436 283 V N 1.311 120.964 119.914 -0.435 0.000 2.568 283 V HA -0.244 3.876 4.120 -0.001 0.000 0.253 283 V C 1.728 177.650 176.094 -0.286 0.000 1.072 283 V CA 2.254 64.362 62.300 -0.321 0.000 1.084 283 V CB -0.738 30.927 31.823 -0.264 0.000 0.676 283 V HN 0.561 nan 8.190 nan 0.000 0.469 284 H N -2.065 116.835 119.070 -0.283 0.000 3.017 284 H HA 0.460 5.015 4.556 -0.001 0.000 0.255 284 H C 1.709 176.890 175.328 -0.245 0.000 0.990 284 H CA 0.328 56.229 56.048 -0.244 0.000 1.205 284 H CB -0.258 29.341 29.762 -0.272 0.000 1.460 284 H HN 0.243 nan 8.280 nan 0.000 0.478 285 G N 0.297 108.902 108.800 -0.325 0.000 2.180 285 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.263 285 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.263 285 G C 1.312 176.114 174.900 -0.163 0.000 0.989 285 G CA 1.075 46.017 45.100 -0.264 0.000 0.692 285 G HN 1.598 nan 8.290 nan 0.000 0.526 286 G N -1.283 107.491 108.800 -0.043 0.000 2.179 286 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.220 286 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.220 286 G C 0.079 175.126 174.900 0.245 0.000 0.990 286 G CA 0.659 45.868 45.100 0.181 0.000 0.646 286 G HN 1.608 nan 8.290 nan 0.000 0.517 287 N N 0.848 119.662 118.700 0.190 0.000 2.420 287 N HA 0.379 5.118 4.740 -0.001 0.000 0.262 287 N C 1.555 177.187 175.510 0.202 0.000 1.144 287 N CA 0.123 53.266 53.050 0.155 0.000 0.952 287 N CB 0.465 39.013 38.487 0.102 0.000 1.081 287 N HN 0.312 nan 8.380 nan 0.000 0.480 288 I N 2.617 123.272 120.570 0.141 0.000 2.381 288 I HA -0.330 3.839 4.170 -0.001 0.000 0.255 288 I C 0.989 177.188 176.117 0.137 0.000 1.140 288 I CA 1.442 62.805 61.300 0.105 0.000 1.404 288 I CB 0.138 38.163 38.000 0.043 0.000 1.075 288 I HN 0.555 nan 8.210 nan 0.000 0.433 289 T N 0.187 114.809 114.554 0.114 0.000 2.852 289 T HA -0.068 4.282 4.350 -0.001 0.000 0.256 289 T C 1.806 176.564 174.700 0.096 0.000 1.038 289 T CA 0.925 63.076 62.100 0.085 0.000 1.141 289 T CB -0.050 68.847 68.868 0.049 0.000 0.869 289 T HN 0.315 nan 8.240 nan 0.000 0.439 290 K N 0.123 120.590 120.400 0.112 0.000 2.211 290 K HA -0.063 4.256 4.320 -0.001 0.000 0.203 290 K C 2.048 178.743 176.600 0.160 0.000 1.050 290 K CA 0.736 57.089 56.287 0.109 0.000 0.945 290 K CB -0.037 32.520 32.500 0.096 0.000 0.732 290 K HN 0.321 nan 8.250 nan 0.000 0.451 291 W N 1.378 122.656 121.300 -0.036 0.000 2.380 291 W HA -0.156 4.504 4.660 -0.001 0.000 0.317 291 W C 1.792 178.212 176.519 -0.164 0.000 1.196 291 W CA 0.949 58.190 57.345 -0.174 0.000 1.307 291 W CB -0.670 28.568 29.460 -0.371 0.000 1.157 291 W HN -0.230 nan 8.180 nan 0.000 0.483 292 V N 1.216 121.253 119.914 0.204 0.000 2.287 292 V HA -0.322 3.798 4.120 -0.001 0.000 0.248 292 V C 2.494 178.578 176.094 -0.017 0.000 1.053 292 V CA 1.972 64.320 62.300 0.080 0.000 1.027 292 V CB -1.056 30.836 31.823 0.115 0.000 0.646 292 V HN 0.101 nan 8.190 nan 0.000 0.447 293 L N -1.269 119.965 121.223 0.019 0.000 2.141 293 L HA -0.163 4.177 4.340 -0.001 0.000 0.209 293 L C 2.384 179.243 176.870 -0.019 0.000 1.094 293 L CA 1.527 56.371 54.840 0.007 0.000 0.763 293 L CB -0.324 41.749 42.059 0.024 0.000 0.908 293 L HN 0.371 nan 8.230 nan 0.000 0.437 294 M N -0.792 118.788 119.600 -0.034 0.000 2.236 294 M HA -0.045 4.434 4.480 -0.001 0.000 0.266 294 M C 2.072 178.264 176.300 -0.179 0.000 1.070 294 M CA 1.670 56.935 55.300 -0.059 0.000 1.137 294 M CB -0.272 32.317 32.600 -0.019 0.000 1.378 294 M HN 0.258 nan 8.290 nan 0.000 0.426 295 G N -0.600 107.942 108.800 -0.430 0.000 2.432 295 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.219 295 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.219 295 G C 1.364 175.954 174.900 -0.518 0.000 1.135 295 G CA 0.814 45.257 45.100 -1.096 0.000 0.767 295 G HN 0.600 nan 8.290 nan 0.000 0.550 296 G N 0.757 109.401 108.800 -0.261 0.000 2.448 296 G HA2 0.153 4.112 3.960 -0.001 0.000 0.218 296 G HA3 0.153 4.112 3.960 -0.001 0.000 0.218 296 G C 1.924 176.758 174.900 -0.110 0.000 1.135 296 G CA 1.297 46.345 45.100 -0.086 0.000 0.784 296 G HN 0.577 nan 8.290 nan 0.000 0.543 297 A N 0.714 123.490 122.820 -0.073 0.000 1.929 297 A HA 0.151 4.470 4.320 -0.001 0.000 0.216 297 A C 2.338 179.851 177.584 -0.117 0.000 1.176 297 A CA 0.972 52.997 52.037 -0.019 0.000 0.628 297 A CB -0.240 18.802 19.000 0.069 0.000 0.816 297 A HN 0.362 nan 8.150 nan 0.000 0.444 298 I N -0.400 120.118 120.570 -0.087 0.000 2.233 298 I HA -0.129 4.041 4.170 -0.001 0.000 0.243 298 I C 2.751 178.827 176.117 -0.068 0.000 1.093 298 I CA 1.048 62.322 61.300 -0.043 0.000 1.380 298 I CB -0.785 37.234 38.000 0.032 0.000 1.067 298 I HN 0.359 nan 8.210 nan 0.000 0.413 299 G N 0.799 109.571 108.800 -0.046 0.000 2.469 299 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.219 299 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.219 299 G C 1.729 176.508 174.900 -0.201 0.000 1.150 299 G CA 0.967 46.046 45.100 -0.035 0.000 0.763 299 G HN 0.506 nan 8.290 nan 0.000 0.561 300 G N 0.752 109.271 108.800 -0.467 0.000 2.418 300 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.217 300 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.217 300 G C 1.758 176.169 174.900 -0.815 0.000 1.158 300 G CA 1.000 45.490 45.100 -1.018 0.000 0.771 300 G HN 0.448 nan 8.290 nan 0.000 0.545 301 L N 0.488 121.403 121.223 -0.513 0.000 2.079 301 L HA -0.056 4.284 4.340 -0.001 0.000 0.210 301 L C 2.693 179.527 176.870 -0.060 0.000 1.081 301 L CA 1.614 56.368 54.840 -0.144 0.000 0.752 301 L CB -0.594 41.445 42.059 -0.033 0.000 0.896 301 L HN 0.253 nan 8.230 nan 0.000 0.433 302 C N -0.330 118.927 119.300 -0.072 0.000 2.466 302 C HA 0.027 4.486 4.460 -0.001 0.000 0.278 302 C C 2.762 177.757 174.990 0.009 0.000 1.288 302 C CA 0.589 59.603 59.018 -0.008 0.000 1.722 302 C CB -1.792 25.954 27.740 0.010 0.000 2.017 302 C HN 0.749 nan 8.230 nan 0.000 0.488 303 G N 0.245 109.028 108.800 -0.028 0.000 2.408 303 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.217 303 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.217 303 G C 1.538 176.469 174.900 0.052 0.000 1.150 303 G CA 0.812 45.916 45.100 0.008 0.000 0.776 303 G HN 0.472 nan 8.290 nan 0.000 0.542 304 L N 0.122 121.369 121.223 0.040 0.000 2.093 304 L HA 0.185 4.525 4.340 -0.001 0.000 0.208 304 L C 2.479 179.442 176.870 0.155 0.000 1.085 304 L CA 1.362 56.265 54.840 0.104 0.000 0.755 304 L CB -0.280 41.878 42.059 0.164 0.000 0.904 304 L HN 0.169 nan 8.230 nan 0.000 0.435 305 L N -0.565 120.733 121.223 0.126 0.000 2.313 305 L HA 0.052 4.392 4.340 -0.001 0.000 0.214 305 L C 1.978 178.939 176.870 0.152 0.000 1.119 305 L CA 0.726 55.651 54.840 0.142 0.000 0.809 305 L CB -0.716 41.404 42.059 0.102 0.000 0.933 305 L HN 0.430 nan 8.230 nan 0.000 0.449 306 G N -1.761 107.126 108.800 0.145 0.000 3.295 306 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.231 306 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.231 306 G C 0.664 175.702 174.900 0.230 0.000 1.277 306 G CA 0.103 45.292 45.100 0.148 0.000 1.013 306 G HN 0.350 nan 8.290 nan 0.000 0.509 307 F N -0.830 119.163 119.950 0.072 0.000 2.533 307 F HA 0.082 4.609 4.527 -0.001 0.000 0.313 307 F C 1.938 177.803 175.800 0.109 0.000 0.834 307 F CA 0.563 58.612 58.000 0.081 0.000 1.061 307 F CB 0.349 39.388 39.000 0.065 0.000 0.915 307 F HN 0.013 nan 8.300 nan 0.000 0.693 308 V N -0.923 119.165 119.914 0.289 0.000 3.235 308 V HA 0.596 4.716 4.120 -0.001 0.000 0.259 308 V C 0.583 176.763 176.094 0.144 0.000 1.133 308 V CA 0.909 63.344 62.300 0.224 0.000 1.128 308 V CB -0.282 31.710 31.823 0.281 0.000 0.757 308 V HN 0.468 nan 8.190 nan 0.000 0.469 309 A N 0.005 122.914 122.820 0.149 0.000 3.068 309 A HA 0.621 4.940 4.320 -0.001 0.000 0.269 309 A C -1.950 175.716 177.584 0.137 0.000 1.259 309 A CA -0.316 51.817 52.037 0.161 0.000 0.938 309 A CB 0.229 19.400 19.000 0.284 0.000 1.433 309 A HN 0.256 nan 8.150 nan 0.000 0.664 310 P HA -0.138 nan 4.420 nan 0.000 0.222 310 P C 1.481 178.838 177.300 0.096 0.000 1.142 310 P CA 1.796 64.953 63.100 0.096 0.000 0.788 310 P CB 0.304 32.052 31.700 0.080 0.000 0.767 311 A N -0.906 121.972 122.820 0.098 0.000 2.208 311 A HA -0.023 4.297 4.320 -0.001 0.000 0.209 311 A C 1.927 179.518 177.584 0.012 0.000 1.161 311 A CA 1.508 53.586 52.037 0.068 0.000 0.782 311 A CB -1.252 17.766 19.000 0.028 0.000 0.816 311 A HN 0.317 nan 8.150 nan 0.000 0.477 312 T N -4.055 110.508 114.554 0.016 0.000 3.037 312 T HA 0.237 4.587 4.350 -0.001 0.000 0.251 312 T C 0.920 175.615 174.700 -0.009 0.000 1.079 312 T CA 0.718 62.789 62.100 -0.048 0.000 1.067 312 T CB -0.044 68.769 68.868 -0.092 0.000 0.948 312 T HN 0.223 nan 8.240 nan 0.000 0.496 313 S N -0.679 115.040 115.700 0.032 0.000 2.726 313 S HA 0.698 5.168 4.470 -0.001 0.000 0.308 313 S C 0.466 175.094 174.600 0.046 0.000 1.115 313 S CA 0.351 58.576 58.200 0.041 0.000 0.965 313 S CB 0.893 64.127 63.200 0.058 0.000 1.145 313 S HN 1.357 nan 8.310 nan 0.000 0.532 314 G N 0.779 109.606 108.800 0.045 0.000 2.725 314 G HA2 -0.044 3.915 3.960 -0.001 0.000 0.220 314 G HA3 -0.044 3.915 3.960 -0.001 0.000 0.220 314 G C 0.790 175.700 174.900 0.017 0.000 1.357 314 G CA 0.067 45.192 45.100 0.042 0.000 0.866 314 G HN 1.525 nan 8.290 nan 0.000 0.548 315 G N -1.031 107.768 108.800 -0.002 0.000 2.422 315 G HA2 0.365 4.324 3.960 -0.001 0.000 0.218 315 G HA3 0.365 4.324 3.960 -0.001 0.000 0.218 315 G C 2.089 176.896 174.900 -0.154 0.000 1.146 315 G CA 2.216 47.256 45.100 -0.099 0.000 0.769 315 G HN 2.791 nan 8.290 nan 0.000 0.547 316 G N -1.057 107.723 108.800 -0.034 0.000 2.176 316 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.232 316 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.232 316 G C 1.062 176.045 174.900 0.139 0.000 0.986 316 G CA 0.393 45.510 45.100 0.028 0.000 0.643 316 G HN 0.429 nan 8.290 nan 0.000 0.522 317 F N 1.022 121.040 119.950 0.114 0.000 2.293 317 F HA -0.043 4.483 4.527 -0.000 0.000 0.300 317 F C 2.455 178.319 175.800 0.106 0.000 1.086 317 F CA 0.940 59.008 58.000 0.115 0.000 1.375 317 F CB 0.027 39.100 39.000 0.122 0.000 1.045 317 F HN 0.165 nan 8.300 nan 0.000 0.516 318 N N 0.821 119.697 118.700 0.293 0.000 2.354 318 N HA -0.092 4.648 4.740 -0.001 0.000 0.179 318 N C 1.783 177.412 175.510 0.198 0.000 1.021 318 N CA 1.059 54.232 53.050 0.205 0.000 0.887 318 N CB -0.235 38.352 38.487 0.166 0.000 0.974 318 N HN 0.361 nan 8.380 nan 0.000 0.437 319 L N -1.579 119.785 121.223 0.235 0.000 2.375 319 L HA 0.284 4.623 4.340 -0.001 0.000 0.215 319 L C 1.871 178.914 176.870 0.289 0.000 1.108 319 L CA 0.734 55.758 54.840 0.306 0.000 0.830 319 L CB -0.587 41.668 42.059 0.327 0.000 0.959 319 L HN -0.144 nan 8.230 nan 0.000 0.457 320 I N 0.733 121.446 120.570 0.238 0.000 2.091 320 I HA -0.195 3.975 4.170 -0.001 0.000 0.239 320 I C -0.092 176.105 176.117 0.133 0.000 1.061 320 I CA 1.727 63.145 61.300 0.198 0.000 1.317 320 I CB -1.693 36.429 38.000 0.203 0.000 1.031 320 I HN 0.245 nan 8.210 nan 0.000 0.401 321 P HA -0.196 nan 4.420 nan 0.000 0.216 321 P C 1.819 179.115 177.300 -0.007 0.000 1.157 321 P CA 1.784 64.909 63.100 0.041 0.000 0.880 321 P CB -0.104 31.617 31.700 0.036 0.000 0.791 322 I N -1.257 119.292 120.570 -0.035 0.000 2.315 322 I HA -0.217 3.953 4.170 -0.001 0.000 0.248 322 I C 2.331 178.220 176.117 -0.380 0.000 1.117 322 I CA 1.384 62.536 61.300 -0.246 0.000 1.404 322 I CB -0.830 36.978 38.000 -0.319 0.000 1.071 322 I HN -0.087 nan 8.210 nan 0.000 0.419 323 A N 0.937 123.733 122.820 -0.039 0.000 1.872 323 A HA -0.158 4.162 4.320 -0.001 0.000 0.214 323 A C 2.424 180.059 177.584 0.084 0.000 1.187 323 A CA 2.264 54.402 52.037 0.168 0.000 0.614 323 A CB -1.134 18.095 19.000 0.381 0.000 0.826 323 A HN 0.394 nan 8.150 nan 0.000 0.442 324 T N 0.699 115.297 114.554 0.073 0.000 2.759 324 T HA -0.043 4.307 4.350 -0.001 0.000 0.269 324 T C 2.021 176.742 174.700 0.035 0.000 1.042 324 T CA 1.456 63.597 62.100 0.067 0.000 1.140 324 T CB -0.492 68.411 68.868 0.058 0.000 0.864 324 T HN 0.575 nan 8.240 nan 0.000 0.455 325 A N 0.851 123.665 122.820 -0.010 0.000 2.216 325 A HA 0.409 4.728 4.320 -0.001 0.000 0.214 325 A C 2.026 179.592 177.584 -0.031 0.000 1.160 325 A CA 0.980 53.001 52.037 -0.027 0.000 0.725 325 A CB -1.190 17.774 19.000 -0.059 0.000 0.784 325 A HN 0.963 nan 8.150 nan 0.000 0.472 326 G N -0.570 108.213 108.800 -0.028 0.000 2.198 326 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.257 326 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.257 326 G C 0.447 175.313 174.900 -0.056 0.000 1.042 326 G CA 0.613 45.709 45.100 -0.007 0.000 0.791 326 G HN 0.681 nan 8.290 nan 0.000 0.502 327 N N -1.121 117.467 118.700 -0.187 0.000 2.300 327 N HA 0.108 4.847 4.740 -0.001 0.000 0.179 327 N C 0.609 176.011 175.510 -0.179 0.000 1.016 327 N CA 0.236 53.145 53.050 -0.235 0.000 0.876 327 N CB 0.013 38.283 38.487 -0.361 0.000 0.979 327 N HN 0.400 nan 8.380 nan 0.000 0.432 328 F N 1.415 121.389 119.950 0.039 0.000 2.450 328 F HA 0.100 4.626 4.527 -0.000 0.000 0.339 328 F C 1.462 177.279 175.800 0.028 0.000 1.146 328 F CA -1.320 56.705 58.000 0.042 0.000 1.267 328 F CB 0.338 39.375 39.000 0.061 0.000 1.178 328 F HN -0.091 nan 8.300 nan 0.000 0.585 329 S N 1.853 117.694 115.700 0.236 0.000 2.652 329 S HA 0.263 4.732 4.470 -0.001 0.000 0.267 329 S C 1.017 175.682 174.600 0.108 0.000 1.201 329 S CA -0.642 57.632 58.200 0.122 0.000 0.996 329 S CB 0.569 63.816 63.200 0.079 0.000 1.054 329 S HN 0.706 nan 8.310 nan 0.000 0.561 330 M N 1.381 121.014 119.600 0.054 0.000 2.099 330 M HA 0.164 4.643 4.480 -0.001 0.000 0.262 330 M C 1.933 178.257 176.300 0.039 0.000 1.067 330 M CA 2.209 57.528 55.300 0.031 0.000 1.124 330 M CB -1.460 31.139 32.600 -0.002 0.000 1.353 330 M HN 0.868 nan 8.290 nan 0.000 0.410 331 G N 0.081 108.905 108.800 0.040 0.000 2.433 331 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.216 331 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.216 331 G C 1.480 176.427 174.900 0.079 0.000 1.186 331 G CA 1.278 46.407 45.100 0.048 0.000 0.779 331 G HN 0.493 nan 8.290 nan 0.000 0.543 332 M N 0.385 120.028 119.600 0.071 0.000 2.144 332 M HA 0.050 4.530 4.480 -0.001 0.000 0.260 332 M C 2.309 178.632 176.300 0.039 0.000 1.067 332 M CA 1.199 56.541 55.300 0.071 0.000 1.095 332 M CB -0.452 32.201 32.600 0.089 0.000 1.365 332 M HN 0.214 nan 8.290 nan 0.000 0.406 333 L N -1.809 119.440 121.223 0.043 0.000 2.027 333 L HA -0.181 4.158 4.340 -0.001 0.000 0.206 333 L C 2.249 179.153 176.870 0.057 0.000 1.074 333 L CA 0.860 55.709 54.840 0.015 0.000 0.745 333 L CB -0.803 41.287 42.059 0.052 0.000 0.898 333 L HN 0.110 nan 8.230 nan 0.000 0.433 334 V N -0.045 119.917 119.914 0.079 0.000 2.252 334 V HA -0.369 3.751 4.120 -0.001 0.000 0.249 334 V C 2.233 178.433 176.094 0.175 0.000 1.056 334 V CA 2.326 64.695 62.300 0.115 0.000 1.022 334 V CB -0.707 31.173 31.823 0.095 0.000 0.641 334 V HN 0.381 nan 8.190 nan 0.000 0.445 335 F N 0.597 120.564 119.950 0.028 0.000 2.043 335 F HA -0.274 4.253 4.527 -0.001 0.000 0.297 335 F C 2.227 178.033 175.800 0.010 0.000 1.121 335 F CA 2.241 60.251 58.000 0.016 0.000 1.199 335 F CB -0.337 38.657 39.000 -0.011 0.000 0.968 335 F HN 0.043 nan 8.300 nan 0.000 0.478 336 I N -0.595 119.924 120.570 -0.085 0.000 2.248 336 I HA -0.333 3.837 4.170 -0.001 0.000 0.248 336 I C 2.285 178.322 176.117 -0.133 0.000 1.107 336 I CA 1.523 62.693 61.300 -0.218 0.000 1.373 336 I CB -0.585 37.299 38.000 -0.193 0.000 1.055 336 I HN 0.278 nan 8.210 nan 0.000 0.418 337 F N 1.089 120.938 119.950 -0.167 0.000 2.039 337 F HA -0.196 4.331 4.527 -0.001 0.000 0.294 337 F C 2.400 178.138 175.800 -0.104 0.000 1.130 337 F CA 1.739 59.663 58.000 -0.127 0.000 1.189 337 F CB -0.639 38.288 39.000 -0.121 0.000 0.983 337 F HN -0.245 nan 8.300 nan 0.000 0.471 338 V N 0.786 120.649 119.914 -0.084 0.000 2.282 338 V HA -0.360 3.759 4.120 -0.001 0.000 0.249 338 V C 2.743 178.707 176.094 -0.216 0.000 1.057 338 V CA 2.061 64.278 62.300 -0.138 0.000 1.032 338 V CB -1.760 30.058 31.823 -0.008 0.000 0.645 338 V HN 0.508 nan 8.190 nan 0.000 0.447 339 A N -0.459 122.156 122.820 -0.342 0.000 1.933 339 A HA -0.220 4.099 4.320 -0.001 0.000 0.218 339 A C 2.373 179.821 177.584 -0.227 0.000 1.175 339 A CA 1.779 53.599 52.037 -0.362 0.000 0.628 339 A CB -0.486 18.091 19.000 -0.704 0.000 0.814 339 A HN 0.509 nan 8.150 nan 0.000 0.444 340 R N -0.800 119.563 120.500 -0.227 0.000 2.193 340 R HA 0.033 4.372 4.340 -0.001 0.000 0.213 340 R C 1.881 178.122 176.300 -0.099 0.000 1.055 340 R CA 0.907 56.923 56.100 -0.139 0.000 0.995 340 R CB -0.250 29.980 30.300 -0.117 0.000 0.893 340 R HN 0.421 nan 8.270 nan 0.000 0.459 341 V N 1.341 121.153 119.914 -0.170 0.000 2.295 341 V HA -0.249 3.870 4.120 -0.001 0.000 0.246 341 V C 2.215 178.375 176.094 0.111 0.000 1.049 341 V CA 1.697 64.010 62.300 0.021 0.000 1.024 341 V CB -0.301 31.530 31.823 0.013 0.000 0.648 341 V HN 0.234 nan 8.190 nan 0.000 0.447 342 I N 0.877 121.449 120.570 0.002 0.000 2.133 342 I HA -0.237 3.932 4.170 -0.001 0.000 0.238 342 I C 2.815 178.950 176.117 0.030 0.000 1.074 342 I CA 2.129 63.427 61.300 -0.004 0.000 1.342 342 I CB -0.939 37.032 38.000 -0.047 0.000 1.053 342 I HN 0.488 nan 8.210 nan 0.000 0.404 343 T N -2.193 112.369 114.554 0.014 0.000 2.833 343 T HA -0.155 4.195 4.350 -0.001 0.000 0.269 343 T C 1.772 176.524 174.700 0.086 0.000 1.054 343 T CA 1.880 64.002 62.100 0.038 0.000 1.135 343 T CB -0.901 67.975 68.868 0.013 0.000 0.869 343 T HN 0.257 nan 8.240 nan 0.000 0.466 344 T N 2.474 117.096 114.554 0.113 0.000 2.701 344 T HA 0.117 4.467 4.350 -0.001 0.000 0.263 344 T C 1.911 176.743 174.700 0.220 0.000 1.040 344 T CA 1.311 63.518 62.100 0.178 0.000 1.147 344 T CB -0.522 68.489 68.868 0.239 0.000 0.865 344 T HN 0.306 nan 8.240 nan 0.000 0.426 345 L N 0.285 121.623 121.223 0.193 0.000 1.955 345 L HA -0.132 4.208 4.340 -0.001 0.000 0.213 345 L C 2.494 179.452 176.870 0.146 0.000 1.072 345 L CA 1.110 56.038 54.840 0.147 0.000 0.755 345 L CB -0.897 41.209 42.059 0.080 0.000 0.888 345 L HN 0.158 nan 8.230 nan 0.000 0.432 346 L N -0.474 120.811 121.223 0.104 0.000 2.030 346 L HA -0.361 3.979 4.340 -0.001 0.000 0.222 346 L C 2.655 179.618 176.870 0.155 0.000 1.082 346 L CA 2.112 57.011 54.840 0.098 0.000 0.785 346 L CB -0.852 41.249 42.059 0.070 0.000 0.895 346 L HN 0.423 nan 8.230 nan 0.000 0.439 347 C N -2.289 117.120 119.300 0.182 0.000 2.457 347 C HA -0.107 4.352 4.460 -0.001 0.000 0.278 347 C C 2.598 177.739 174.990 0.251 0.000 1.309 347 C CA 0.223 59.374 59.018 0.222 0.000 1.735 347 C CB -0.871 26.984 27.740 0.192 0.000 1.992 347 C HN 0.580 nan 8.230 nan 0.000 0.493 348 F N 1.708 121.727 119.950 0.114 0.000 2.179 348 F HA -0.029 4.498 4.527 -0.001 0.000 0.292 348 F C 2.488 178.354 175.800 0.108 0.000 1.089 348 F CA 1.755 59.816 58.000 0.102 0.000 1.295 348 F CB -0.572 38.484 39.000 0.093 0.000 1.041 348 F HN 0.016 nan 8.300 nan 0.000 0.487 349 S N -0.057 115.697 115.700 0.090 0.000 2.400 349 S HA -0.190 4.279 4.470 -0.001 0.000 0.232 349 S C 2.047 176.653 174.600 0.010 0.000 1.025 349 S CA 1.354 59.548 58.200 -0.010 0.000 0.993 349 S CB -0.765 62.469 63.200 0.058 0.000 0.808 349 S HN 0.581 nan 8.310 nan 0.000 0.478 350 S N 0.659 116.427 115.700 0.114 0.000 2.603 350 S HA 0.244 4.714 4.470 -0.001 0.000 0.229 350 S C 1.431 176.293 174.600 0.436 0.000 0.972 350 S CA 0.615 58.975 58.200 0.266 0.000 0.935 350 S CB -0.489 62.929 63.200 0.362 0.000 0.769 350 S HN 0.789 nan 8.310 nan 0.000 0.536 351 G N 0.724 109.620 108.800 0.160 0.000 2.160 351 G HA2 -0.061 3.898 3.960 -0.001 0.000 0.244 351 G HA3 -0.061 3.898 3.960 -0.001 0.000 0.244 351 G C 0.152 175.019 174.900 -0.055 0.000 1.022 351 G CA -0.093 45.068 45.100 0.100 0.000 0.741 351 G HN 1.265 nan 8.290 nan 0.000 0.508 352 A N 0.715 123.440 122.820 -0.158 0.000 2.388 352 A HA 0.697 5.016 4.320 -0.001 0.000 0.257 352 A C -1.293 176.167 177.584 -0.206 0.000 1.095 352 A CA -1.010 50.751 52.037 -0.460 0.000 0.791 352 A CB 0.486 19.275 19.000 -0.351 0.000 1.029 352 A HN 0.259 nan 8.150 nan 0.000 0.489 353 P HA 0.355 nan 4.420 nan 0.000 0.265 353 P C 0.131 177.442 177.300 0.017 0.000 1.222 353 P CA 0.797 63.854 63.100 -0.072 0.000 0.767 353 P CB 0.454 32.116 31.700 -0.064 0.000 0.801 354 G N 2.022 110.866 108.800 0.072 0.000 2.351 354 G HA2 0.410 4.370 3.960 -0.001 0.000 0.296 354 G HA3 0.410 4.370 3.960 -0.001 0.000 0.296 354 G C -0.482 174.543 174.900 0.209 0.000 1.685 354 G CA -0.430 44.741 45.100 0.118 0.000 0.936 354 G HN 0.527 nan 8.290 nan 0.000 0.714 355 G N -0.450 108.432 108.800 0.137 0.000 2.527 355 G HA2 0.490 4.450 3.960 -0.001 0.000 0.248 355 G HA3 0.490 4.450 3.960 -0.001 0.000 0.248 355 G C 0.950 175.900 174.900 0.083 0.000 1.231 355 G CA -0.092 45.096 45.100 0.146 0.000 0.838 355 G HN 1.162 nan 8.290 nan 0.000 0.570 356 I N 0.967 121.469 120.570 -0.114 0.000 3.860 356 I HA 0.166 4.335 4.170 -0.001 0.000 0.319 356 I C 1.746 177.825 176.117 -0.064 0.000 1.279 356 I CA -0.335 60.797 61.300 -0.280 0.000 1.220 356 I CB -0.037 37.418 38.000 -0.908 0.000 1.027 356 I HN 0.566 nan 8.210 nan 0.000 0.428 357 F N 1.695 121.586 119.950 -0.098 0.000 2.027 357 F HA -0.355 4.171 4.527 -0.001 0.000 0.297 357 F C 2.591 178.395 175.800 0.007 0.000 1.129 357 F CA 2.611 60.594 58.000 -0.027 0.000 1.195 357 F CB -0.579 38.450 39.000 0.048 0.000 0.960 357 F HN 0.160 nan 8.300 nan 0.000 0.485 358 A N -0.157 122.832 122.820 0.282 0.000 1.877 358 A HA -0.135 4.185 4.320 -0.001 0.000 0.216 358 A C -0.262 177.278 177.584 -0.073 0.000 1.186 358 A CA 1.880 53.969 52.037 0.087 0.000 0.620 358 A CB -2.149 16.788 19.000 -0.105 0.000 0.822 358 A HN 0.299 nan 8.150 nan 0.000 0.443 359 P HA -0.139 nan 4.420 nan 0.000 0.221 359 P C 1.489 178.766 177.300 -0.039 0.000 1.145 359 P CA 1.232 64.306 63.100 -0.043 0.000 0.795 359 P CB -0.150 31.552 31.700 0.003 0.000 0.775 360 M N -2.082 117.482 119.600 -0.060 0.000 2.349 360 M HA -0.047 4.433 4.480 -0.001 0.000 0.266 360 M C 1.873 178.136 176.300 -0.063 0.000 1.076 360 M CA 1.255 56.495 55.300 -0.100 0.000 1.126 360 M CB -0.578 31.928 32.600 -0.157 0.000 1.392 360 M HN -0.052 nan 8.290 nan 0.000 0.440 361 L N -0.115 121.080 121.223 -0.046 0.000 1.994 361 L HA -0.173 4.167 4.340 -0.001 0.000 0.208 361 L C 2.798 179.699 176.870 0.052 0.000 1.071 361 L CA 1.464 56.303 54.840 -0.003 0.000 0.745 361 L CB -0.907 41.186 42.059 0.057 0.000 0.892 361 L HN 0.273 nan 8.230 nan 0.000 0.431 362 A N -0.324 122.528 122.820 0.054 0.000 1.972 362 A HA -0.156 4.164 4.320 -0.001 0.000 0.219 362 A C 2.264 179.909 177.584 0.101 0.000 1.169 362 A CA 1.434 53.523 52.037 0.087 0.000 0.635 362 A CB -0.666 18.367 19.000 0.055 0.000 0.810 362 A HN 0.368 nan 8.150 nan 0.000 0.446 363 L N -0.963 120.306 121.223 0.077 0.000 2.109 363 L HA -0.062 4.277 4.340 -0.001 0.000 0.207 363 L C 2.781 179.787 176.870 0.228 0.000 1.086 363 L CA 1.014 55.939 54.840 0.141 0.000 0.760 363 L CB -0.506 41.562 42.059 0.015 0.000 0.910 363 L HN 0.471 nan 8.230 nan 0.000 0.437 364 G N -1.112 107.808 108.800 0.200 0.000 2.402 364 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.216 364 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.216 364 G C 1.549 176.589 174.900 0.234 0.000 1.162 364 G CA 1.169 46.446 45.100 0.295 0.000 0.777 364 G HN 0.284 nan 8.290 nan 0.000 0.539 365 T N 1.142 115.787 114.554 0.151 0.000 2.643 365 T HA -0.128 4.221 4.350 -0.001 0.000 0.264 365 T C 2.542 177.335 174.700 0.155 0.000 1.045 365 T CA 1.351 63.539 62.100 0.146 0.000 1.155 365 T CB -0.489 68.466 68.868 0.145 0.000 0.863 365 T HN 0.034 nan 8.240 nan 0.000 0.420 366 V N 1.666 121.672 119.914 0.152 0.000 2.252 366 V HA -0.158 3.962 4.120 -0.001 0.000 0.249 366 V C 2.458 178.549 176.094 -0.004 0.000 1.056 366 V CA 1.611 63.981 62.300 0.118 0.000 1.022 366 V CB -0.766 31.146 31.823 0.149 0.000 0.641 366 V HN 0.304 nan 8.190 nan 0.000 0.445 367 L N 1.048 122.210 121.223 -0.102 0.000 2.093 367 L HA 0.022 4.362 4.340 -0.001 0.000 0.208 367 L C 2.291 179.117 176.870 -0.072 0.000 1.085 367 L CA 2.295 56.916 54.840 -0.366 0.000 0.755 367 L CB -1.288 40.365 42.059 -0.676 0.000 0.904 367 L HN 0.268 nan 8.230 nan 0.000 0.435 368 G N -1.807 107.076 108.800 0.138 0.000 2.433 368 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.216 368 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.216 368 G C 1.427 176.461 174.900 0.224 0.000 1.186 368 G CA 1.129 46.375 45.100 0.243 0.000 0.779 368 G HN 0.406 nan 8.290 nan 0.000 0.543 369 T N 1.893 116.547 114.554 0.167 0.000 2.720 369 T HA -0.078 4.272 4.350 -0.001 0.000 0.268 369 T C 2.795 177.538 174.700 0.071 0.000 1.037 369 T CA 1.719 63.904 62.100 0.142 0.000 1.144 369 T CB -0.475 68.484 68.868 0.151 0.000 0.864 369 T HN 0.393 nan 8.240 nan 0.000 0.444 370 A N 1.155 123.992 122.820 0.029 0.000 1.873 370 A HA -0.107 4.213 4.320 -0.001 0.000 0.218 370 A C 2.045 179.594 177.584 -0.058 0.000 1.193 370 A CA 1.744 53.759 52.037 -0.037 0.000 0.629 370 A CB -1.121 17.809 19.000 -0.117 0.000 0.826 370 A HN 0.495 nan 8.150 nan 0.000 0.447 371 F N 1.012 120.859 119.950 -0.172 0.000 2.134 371 F HA -0.037 4.490 4.527 -0.001 0.000 0.299 371 F C 2.341 177.905 175.800 -0.393 0.000 1.097 371 F CA 1.620 59.480 58.000 -0.233 0.000 1.264 371 F CB -0.618 38.277 39.000 -0.176 0.000 1.001 371 F HN 0.214 nan 8.300 nan 0.000 0.479 372 G N 0.318 108.967 108.800 -0.252 0.000 2.418 372 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.217 372 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.217 372 G C 1.674 176.359 174.900 -0.358 0.000 1.158 372 G CA 0.994 45.773 45.100 -0.536 0.000 0.771 372 G HN 0.374 nan 8.290 nan 0.000 0.545 373 M N 0.129 119.614 119.600 -0.192 0.000 2.117 373 M HA -0.085 4.394 4.480 -0.001 0.000 0.262 373 M C 2.694 178.867 176.300 -0.212 0.000 1.065 373 M CA 1.010 56.224 55.300 -0.143 0.000 1.114 373 M CB -0.378 32.177 32.600 -0.074 0.000 1.361 373 M HN 0.139 nan 8.290 nan 0.000 0.408 374 V N 0.353 120.084 119.914 -0.304 0.000 2.295 374 V HA -0.239 3.880 4.120 -0.001 0.000 0.246 374 V C 2.653 178.508 176.094 -0.399 0.000 1.049 374 V CA 1.980 64.072 62.300 -0.348 0.000 1.024 374 V CB -1.355 30.217 31.823 -0.418 0.000 0.648 374 V HN 0.509 nan 8.190 nan 0.000 0.447 375 A N -0.206 122.279 122.820 -0.559 0.000 1.902 375 A HA -0.159 4.160 4.320 -0.001 0.000 0.217 375 A C 2.412 179.921 177.584 -0.125 0.000 1.181 375 A CA 1.997 53.786 52.037 -0.412 0.000 0.623 375 A CB -0.739 17.753 19.000 -0.846 0.000 0.818 375 A HN 0.321 nan 8.150 nan 0.000 0.443 376 V N 0.918 120.734 119.914 -0.162 0.000 2.392 376 V HA -0.301 3.818 4.120 -0.001 0.000 0.249 376 V C 2.562 178.614 176.094 -0.070 0.000 1.059 376 V CA 2.545 64.814 62.300 -0.050 0.000 1.051 376 V CB -0.799 30.998 31.823 -0.042 0.000 0.658 376 V HN 0.958 nan 8.190 nan 0.000 0.455 377 E N -0.345 119.774 120.200 -0.134 0.000 2.250 377 E HA -0.036 4.313 4.350 -0.001 0.000 0.192 377 E C 2.034 178.495 176.600 -0.233 0.000 0.986 377 E CA 0.605 56.913 56.400 -0.153 0.000 0.849 377 E CB -0.294 29.322 29.700 -0.140 0.000 0.797 377 E HN 0.509 nan 8.360 nan 0.000 0.482 378 L N -0.228 120.783 121.223 -0.353 0.000 2.156 378 L HA 0.066 4.406 4.340 -0.001 0.000 0.208 378 L C 0.312 176.662 176.870 -0.867 0.000 1.095 378 L CA 0.683 55.115 54.840 -0.680 0.000 0.770 378 L CB -0.015 41.460 42.059 -0.973 0.000 0.914 378 L HN 0.117 nan 8.230 nan 0.000 0.439 379 F N -0.455 119.429 119.950 -0.111 0.000 2.686 379 F HA 0.315 4.841 4.527 -0.001 0.000 0.365 379 F C -1.711 173.990 175.800 -0.165 0.000 1.196 379 F CA -1.746 56.156 58.000 -0.162 0.000 1.198 379 F CB 0.467 39.392 39.000 -0.124 0.000 1.454 379 F HN -0.194 nan 8.300 nan 0.000 0.539 380 P HA -0.156 nan 4.420 nan 0.000 0.237 380 P C 0.995 178.157 177.300 -0.231 0.000 1.178 380 P CA 0.969 63.990 63.100 -0.132 0.000 0.766 380 P CB 0.297 31.914 31.700 -0.138 0.000 0.876 381 Q N -0.900 118.795 119.800 -0.174 0.000 2.398 381 Q HA -0.086 4.254 4.340 -0.001 0.000 0.204 381 Q C 1.371 177.438 176.000 0.112 0.000 0.932 381 Q CA 0.895 56.625 55.803 -0.122 0.000 0.916 381 Q CB -0.940 27.724 28.738 -0.122 0.000 1.024 381 Q HN 0.362 nan 8.270 nan 0.000 0.504 382 Y N 0.499 120.911 120.300 0.185 0.000 2.511 382 Y HA 0.049 4.598 4.550 -0.001 0.000 0.279 382 Y C -0.238 175.843 175.900 0.303 0.000 1.157 382 Y CA -0.173 58.066 58.100 0.231 0.000 1.300 382 Y CB -0.022 38.524 38.460 0.143 0.000 1.052 382 Y HN 0.259 nan 8.280 nan 0.000 0.529 383 H N -0.335 118.862 119.070 0.211 0.000 2.677 383 H HA -0.166 4.390 4.556 -0.000 0.000 0.321 383 H C -0.328 175.094 175.328 0.157 0.000 1.171 383 H CA -0.015 56.120 56.048 0.145 0.000 1.139 383 H CB -2.104 27.725 29.762 0.111 0.000 1.515 383 H HN 0.286 nan 8.280 nan 0.000 0.423 384 L N 0.161 121.533 121.223 0.249 0.000 2.466 384 L HA 0.273 4.613 4.340 -0.001 0.000 0.257 384 L C 0.985 177.981 176.870 0.209 0.000 1.189 384 L CA 0.185 55.185 54.840 0.266 0.000 0.813 384 L CB 0.766 43.014 42.059 0.316 0.000 1.118 384 L HN 0.464 nan 8.230 nan 0.000 0.471 385 E N 0.087 120.431 120.200 0.239 0.000 2.255 385 E HA 0.336 4.685 4.350 -0.001 0.000 0.256 385 E C 0.187 176.952 176.600 0.276 0.000 0.887 385 E CA -0.362 56.151 56.400 0.188 0.000 0.782 385 E CB 1.789 31.569 29.700 0.133 0.000 1.214 385 E HN 0.675 nan 8.360 nan 0.000 0.417 386 A N 3.735 126.690 122.820 0.224 0.000 1.958 386 A HA -0.206 4.114 4.320 -0.001 0.000 0.221 386 A C 1.943 179.722 177.584 0.326 0.000 1.178 386 A CA 2.101 54.298 52.037 0.267 0.000 0.642 386 A CB -1.016 18.049 19.000 0.110 0.000 0.816 386 A HN 0.802 nan 8.150 nan 0.000 0.453 387 G N -0.667 108.252 108.800 0.199 0.000 2.532 387 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.222 387 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.222 387 G C 1.658 176.642 174.900 0.140 0.000 1.102 387 G CA 2.156 47.344 45.100 0.148 0.000 0.742 387 G HN 0.780 nan 8.290 nan 0.000 0.577 388 T N -1.583 113.064 114.554 0.155 0.000 2.812 388 T HA -0.003 4.347 4.350 -0.001 0.000 0.264 388 T C 2.071 176.798 174.700 0.043 0.000 1.042 388 T CA 0.955 63.074 62.100 0.030 0.000 1.140 388 T CB -0.433 68.406 68.868 -0.049 0.000 0.870 388 T HN 0.169 nan 8.240 nan 0.000 0.445 389 F N 2.339 122.429 119.950 0.233 0.000 2.234 389 F HA 0.299 4.826 4.527 -0.000 0.000 0.299 389 F C 2.981 178.874 175.800 0.155 0.000 1.087 389 F CA 0.432 58.589 58.000 0.261 0.000 1.340 389 F CB -0.967 38.167 39.000 0.224 0.000 1.031 389 F HN 0.256 nan 8.300 nan 0.000 0.500 390 A N 0.656 123.656 122.820 0.301 0.000 1.873 390 A HA -0.205 4.114 4.320 -0.001 0.000 0.218 390 A C 2.269 179.912 177.584 0.098 0.000 1.193 390 A CA 1.928 54.076 52.037 0.184 0.000 0.629 390 A CB -1.141 17.953 19.000 0.157 0.000 0.826 390 A HN 0.399 nan 8.150 nan 0.000 0.447 391 I N -0.663 119.939 120.570 0.053 0.000 2.394 391 I HA -0.218 3.952 4.170 -0.001 0.000 0.251 391 I C 2.841 178.908 176.117 -0.082 0.000 1.136 391 I CA 0.872 62.159 61.300 -0.022 0.000 1.425 391 I CB -0.164 37.809 38.000 -0.046 0.000 1.079 391 I HN 0.381 nan 8.210 nan 0.000 0.425 392 A N 0.339 123.110 122.820 -0.082 0.000 1.968 392 A HA -0.028 4.292 4.320 -0.001 0.000 0.217 392 A C 2.325 179.804 177.584 -0.174 0.000 1.169 392 A CA 1.555 53.502 52.037 -0.151 0.000 0.638 392 A CB -0.997 17.915 19.000 -0.147 0.000 0.812 392 A HN 0.441 nan 8.150 nan 0.000 0.446 393 G N -1.111 107.626 108.800 -0.105 0.000 2.551 393 G HA2 -0.021 3.939 3.960 -0.001 0.000 0.216 393 G HA3 -0.021 3.939 3.960 -0.001 0.000 0.216 393 G C 1.474 176.181 174.900 -0.322 0.000 1.137 393 G CA 0.756 45.687 45.100 -0.282 0.000 0.798 393 G HN 0.456 nan 8.290 nan 0.000 0.536 394 M N 1.029 120.546 119.600 -0.139 0.000 2.082 394 M HA -0.033 4.446 4.480 -0.001 0.000 0.258 394 M C 2.118 178.323 176.300 -0.159 0.000 1.069 394 M CA 2.048 57.296 55.300 -0.085 0.000 1.102 394 M CB -0.124 32.449 32.600 -0.046 0.000 1.336 394 M HN 0.170 nan 8.290 nan 0.000 0.404 395 G N -1.572 107.093 108.800 -0.225 0.000 3.337 395 G HA2 0.410 4.370 3.960 -0.001 0.000 0.246 395 G HA3 0.410 4.370 3.960 -0.001 0.000 0.246 395 G C 1.060 175.768 174.900 -0.320 0.000 1.131 395 G CA 0.424 45.379 45.100 -0.243 0.000 0.773 395 G HN 0.591 nan 8.290 nan 0.000 0.544 396 A N 0.350 122.859 122.820 -0.518 0.000 1.970 396 A HA 0.186 4.505 4.320 -0.001 0.000 0.216 396 A C 2.146 179.441 177.584 -0.483 0.000 1.170 396 A CA 0.547 52.156 52.037 -0.712 0.000 0.645 396 A CB -0.227 17.888 19.000 -1.475 0.000 0.816 396 A HN 0.349 nan 8.150 nan 0.000 0.447 397 L N -0.218 120.819 121.223 -0.309 0.000 2.027 397 L HA -0.105 4.234 4.340 -0.001 0.000 0.206 397 L C 2.416 179.235 176.870 -0.085 0.000 1.074 397 L CA 1.640 56.512 54.840 0.053 0.000 0.745 397 L CB -0.840 41.298 42.059 0.130 0.000 0.898 397 L HN 0.421 nan 8.230 nan 0.000 0.433 398 L N -0.226 120.878 121.223 -0.199 0.000 2.129 398 L HA -0.229 4.111 4.340 -0.001 0.000 0.212 398 L C 2.566 179.322 176.870 -0.192 0.000 1.087 398 L CA 1.250 55.923 54.840 -0.280 0.000 0.757 398 L CB -0.509 41.320 42.059 -0.384 0.000 0.896 398 L HN 0.311 nan 8.230 nan 0.000 0.434 399 A N -1.117 121.606 122.820 -0.162 0.000 2.123 399 A HA 0.174 4.494 4.320 -0.001 0.000 0.214 399 A C 2.186 179.729 177.584 -0.068 0.000 1.152 399 A CA 1.209 53.177 52.037 -0.115 0.000 0.728 399 A CB -0.215 18.702 19.000 -0.138 0.000 0.814 399 A HN 0.389 nan 8.150 nan 0.000 0.464 400 A N -1.935 120.862 122.820 -0.038 0.000 2.192 400 A HA 0.395 4.715 4.320 -0.001 0.000 0.208 400 A C 2.047 179.640 177.584 0.015 0.000 1.220 400 A CA 1.150 53.196 52.037 0.013 0.000 0.900 400 A CB -0.015 19.044 19.000 0.098 0.000 0.937 400 A HN 0.319 nan 8.150 nan 0.000 0.487 401 S N -0.250 115.454 115.700 0.006 0.000 2.432 401 S HA 0.066 4.535 4.470 -0.001 0.000 0.203 401 S C 1.797 176.396 174.600 -0.001 0.000 0.987 401 S CA 0.860 59.074 58.200 0.023 0.000 0.908 401 S CB -0.360 62.887 63.200 0.079 0.000 0.883 401 S HN 0.669 nan 8.310 nan 0.000 0.577 402 I N 0.429 120.975 120.570 -0.040 0.000 3.001 402 I HA 0.148 4.318 4.170 -0.001 0.000 0.268 402 I C -0.013 176.109 176.117 0.007 0.000 1.267 402 I CA 0.744 62.035 61.300 -0.015 0.000 1.472 402 I CB -0.062 37.905 38.000 -0.055 0.000 1.089 402 I HN 0.102 nan 8.210 nan 0.000 0.468 403 R N 0.344 120.831 120.500 -0.022 0.000 3.531 403 R HA -0.147 4.193 4.340 -0.001 0.000 0.280 403 R C 0.001 176.300 176.300 -0.001 0.000 1.130 403 R CA 0.807 56.897 56.100 -0.018 0.000 0.757 403 R CB -2.734 27.560 30.300 -0.011 0.000 1.218 403 R HN 0.624 nan 8.270 nan 0.000 0.454 404 A N 0.615 123.438 122.820 0.004 0.000 2.923 404 A HA 0.485 4.805 4.320 -0.001 0.000 0.343 404 A C -1.010 176.572 177.584 -0.004 0.000 1.199 404 A CA -1.154 50.910 52.037 0.045 0.000 0.878 404 A CB 0.728 19.835 19.000 0.178 0.000 1.104 404 A HN -0.031 nan 8.150 nan 0.000 0.483 405 P HA -0.158 nan 4.420 nan 0.000 0.215 405 P C 1.600 178.874 177.300 -0.044 0.000 1.157 405 P CA 0.592 63.657 63.100 -0.058 0.000 0.859 405 P CB 0.235 31.899 31.700 -0.060 0.000 0.786 406 L N 0.218 121.431 121.223 -0.017 0.000 2.012 406 L HA -0.108 4.231 4.340 -0.001 0.000 0.210 406 L C 2.204 179.079 176.870 0.009 0.000 1.073 406 L CA 2.328 57.164 54.840 -0.006 0.000 0.748 406 L CB -1.858 40.204 42.059 0.005 0.000 0.891 406 L HN -0.059 nan 8.230 nan 0.000 0.431 407 T N -0.652 113.931 114.554 0.048 0.000 2.746 407 T HA -0.103 4.247 4.350 -0.001 0.000 0.267 407 T C 1.735 176.438 174.700 0.005 0.000 1.039 407 T CA 1.202 63.346 62.100 0.075 0.000 1.142 407 T CB -0.967 68.028 68.868 0.212 0.000 0.866 407 T HN 0.575 nan 8.240 nan 0.000 0.444 408 G N 1.370 110.149 108.800 -0.034 0.000 2.421 408 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.216 408 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.216 408 G C 1.535 176.367 174.900 -0.113 0.000 1.171 408 G CA 0.599 45.636 45.100 -0.106 0.000 0.775 408 G HN 0.480 nan 8.290 nan 0.000 0.543 409 I N 0.450 120.963 120.570 -0.094 0.000 2.127 409 I HA -0.160 4.009 4.170 -0.001 0.000 0.241 409 I C 2.664 178.738 176.117 -0.072 0.000 1.075 409 I CA 1.016 62.260 61.300 -0.094 0.000 1.334 409 I CB -0.201 37.751 38.000 -0.080 0.000 1.040 409 I HN 0.122 nan 8.210 nan 0.000 0.405 410 I N -0.017 120.525 120.570 -0.048 0.000 2.394 410 I HA -0.272 3.898 4.170 -0.001 0.000 0.251 410 I C 2.396 178.476 176.117 -0.063 0.000 1.136 410 I CA 0.897 62.175 61.300 -0.036 0.000 1.425 410 I CB -0.158 37.832 38.000 -0.018 0.000 1.079 410 I HN 0.245 nan 8.210 nan 0.000 0.425 411 L N 0.190 121.359 121.223 -0.091 0.000 2.017 411 L HA -0.157 4.182 4.340 -0.001 0.000 0.208 411 L C 2.395 179.167 176.870 -0.163 0.000 1.073 411 L CA 1.784 56.532 54.840 -0.153 0.000 0.745 411 L CB -0.362 41.568 42.059 -0.215 0.000 0.894 411 L HN -0.034 nan 8.230 nan 0.000 0.432 412 V N -0.476 119.354 119.914 -0.140 0.000 2.295 412 V HA -0.276 3.844 4.120 -0.001 0.000 0.246 412 V C 2.501 178.545 176.094 -0.084 0.000 1.049 412 V CA 1.766 63.996 62.300 -0.118 0.000 1.024 412 V CB -0.726 31.026 31.823 -0.118 0.000 0.648 412 V HN 0.520 nan 8.190 nan 0.000 0.447 413 L N 0.189 121.374 121.223 -0.064 0.000 2.129 413 L HA -0.208 4.132 4.340 -0.001 0.000 0.212 413 L C 2.272 179.128 176.870 -0.024 0.000 1.087 413 L CA 1.997 56.822 54.840 -0.024 0.000 0.757 413 L CB -0.524 41.543 42.059 0.014 0.000 0.896 413 L HN 0.384 nan 8.230 nan 0.000 0.434 414 E N -1.584 118.588 120.200 -0.046 0.000 2.442 414 E HA -0.057 4.293 4.350 -0.001 0.000 0.195 414 E C 1.907 178.479 176.600 -0.047 0.000 1.030 414 E CA 0.665 57.039 56.400 -0.043 0.000 0.869 414 E CB 0.105 29.774 29.700 -0.051 0.000 0.857 414 E HN 0.588 nan 8.360 nan 0.000 0.505 415 M N -0.648 118.913 119.600 -0.065 0.000 2.653 415 M HA 0.000 4.480 4.480 -0.001 0.000 0.259 415 M C 2.241 178.508 176.300 -0.055 0.000 1.244 415 M CA 0.920 56.177 55.300 -0.073 0.000 1.163 415 M CB 0.461 32.992 32.600 -0.115 0.000 1.309 415 M HN 0.067 nan 8.290 nan 0.000 0.509 416 T N -3.874 110.652 114.554 -0.046 0.000 3.039 416 T HA 0.018 4.368 4.350 -0.001 0.000 0.250 416 T C 0.668 175.357 174.700 -0.018 0.000 1.052 416 T CA 0.338 62.419 62.100 -0.032 0.000 1.125 416 T CB -0.002 68.845 68.868 -0.034 0.000 0.908 416 T HN 0.288 nan 8.240 nan 0.000 0.473 417 D N 2.033 122.426 120.400 -0.012 0.000 2.746 417 D HA -0.147 4.493 4.640 -0.001 0.000 0.241 417 D C -0.903 175.406 176.300 0.015 0.000 1.140 417 D CA 0.297 54.301 54.000 0.007 0.000 0.707 417 D CB -1.861 38.941 40.800 0.004 0.000 1.034 417 D HN 0.596 nan 8.370 nan 0.000 0.423 418 N N 1.260 119.966 118.700 0.010 0.000 2.696 418 N HA 0.002 4.741 4.740 -0.001 0.000 0.308 418 N C 0.646 176.150 175.510 -0.011 0.000 1.915 418 N CA -0.427 52.620 53.050 -0.006 0.000 0.906 418 N CB 0.182 38.644 38.487 -0.042 0.000 1.284 418 N HN 0.277 nan 8.380 nan 0.000 0.488 419 Y N 2.424 122.686 120.300 -0.063 0.000 2.365 419 Y HA -0.274 4.276 4.550 -0.001 0.000 0.287 419 Y C 2.030 177.882 175.900 -0.079 0.000 1.162 419 Y CA 1.946 60.005 58.100 -0.069 0.000 1.260 419 Y CB 0.272 38.701 38.460 -0.053 0.000 0.976 419 Y HN 0.316 nan 8.280 nan 0.000 0.548 420 Q N -0.198 119.497 119.800 -0.175 0.000 2.500 420 Q HA -0.034 4.305 4.340 -0.001 0.000 0.213 420 Q C 1.112 176.941 176.000 -0.286 0.000 0.974 420 Q CA 1.444 57.111 55.803 -0.227 0.000 0.918 420 Q CB -0.661 28.019 28.738 -0.096 0.000 0.980 420 Q HN 0.554 nan 8.270 nan 0.000 0.505 421 L N -0.297 120.746 121.223 -0.301 0.000 2.741 421 L HA 0.222 4.562 4.340 -0.001 0.000 0.237 421 L C 1.151 177.777 176.870 -0.405 0.000 1.178 421 L CA -0.297 54.340 54.840 -0.339 0.000 0.973 421 L CB 0.054 41.947 42.059 -0.277 0.000 1.255 421 L HN 0.182 nan 8.230 nan 0.000 0.498 422 I N 0.022 120.308 120.570 -0.474 0.000 2.179 422 I HA -0.287 3.883 4.170 -0.001 0.000 0.242 422 I C 2.112 178.021 176.117 -0.347 0.000 1.088 422 I CA 1.657 62.694 61.300 -0.438 0.000 1.357 422 I CB 0.096 37.707 38.000 -0.648 0.000 1.051 422 I HN 0.157 nan 8.210 nan 0.000 0.409 423 L N 0.876 121.894 121.223 -0.342 0.000 2.012 423 L HA -0.143 4.196 4.340 -0.001 0.000 0.210 423 L C -0.391 176.268 176.870 -0.351 0.000 1.073 423 L CA 2.410 57.085 54.840 -0.275 0.000 0.748 423 L CB -2.227 39.703 42.059 -0.215 0.000 0.891 423 L HN 0.183 nan 8.230 nan 0.000 0.431 424 P HA -0.202 nan 4.420 nan 0.000 0.215 424 P C 2.095 179.017 177.300 -0.630 0.000 1.157 424 P CA 1.653 64.126 63.100 -1.046 0.000 0.874 424 P CB -0.077 30.567 31.700 -1.759 0.000 0.790 425 M N -1.820 117.499 119.600 -0.469 0.000 2.117 425 M HA -0.137 4.343 4.480 -0.001 0.000 0.262 425 M C 2.153 178.316 176.300 -0.228 0.000 1.065 425 M CA 1.817 56.932 55.300 -0.307 0.000 1.114 425 M CB -0.744 31.704 32.600 -0.253 0.000 1.361 425 M HN -0.091 nan 8.290 nan 0.000 0.408 426 I N -0.119 120.327 120.570 -0.207 0.000 2.286 426 I HA -0.259 3.911 4.170 -0.001 0.000 0.245 426 I C 2.242 178.288 176.117 -0.118 0.000 1.104 426 I CA 1.122 62.337 61.300 -0.142 0.000 1.397 426 I CB -0.227 37.703 38.000 -0.117 0.000 1.072 426 I HN 0.233 nan 8.210 nan 0.000 0.417 427 I N 0.326 120.821 120.570 -0.125 0.000 2.226 427 I HA -0.270 3.899 4.170 -0.001 0.000 0.245 427 I C 2.523 178.612 176.117 -0.046 0.000 1.100 427 I CA 1.524 62.786 61.300 -0.063 0.000 1.374 427 I CB -0.414 37.566 38.000 -0.032 0.000 1.057 427 I HN 0.236 nan 8.210 nan 0.000 0.413 428 T N 0.295 114.804 114.554 -0.075 0.000 2.674 428 T HA -0.117 4.233 4.350 -0.001 0.000 0.265 428 T C 1.918 176.543 174.700 -0.126 0.000 1.039 428 T CA 1.503 63.556 62.100 -0.078 0.000 1.150 428 T CB -0.799 68.009 68.868 -0.100 0.000 0.864 428 T HN 0.557 nan 8.240 nan 0.000 0.427 429 G N 1.195 109.899 108.800 -0.160 0.000 2.469 429 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.219 429 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.219 429 G C 1.555 176.395 174.900 -0.100 0.000 1.150 429 G CA 0.874 45.879 45.100 -0.158 0.000 0.763 429 G HN 0.417 nan 8.290 nan 0.000 0.561 430 L N 0.947 122.126 121.223 -0.073 0.000 2.027 430 L HA 0.201 4.540 4.340 -0.001 0.000 0.206 430 L C 2.896 179.752 176.870 -0.023 0.000 1.074 430 L CA 1.946 56.759 54.840 -0.045 0.000 0.745 430 L CB -0.639 41.401 42.059 -0.032 0.000 0.898 430 L HN 0.187 nan 8.230 nan 0.000 0.433 431 G N -1.307 107.488 108.800 -0.008 0.000 2.498 431 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.219 431 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.219 431 G C 1.473 176.395 174.900 0.035 0.000 1.119 431 G CA 0.765 45.881 45.100 0.027 0.000 0.766 431 G HN 0.586 nan 8.290 nan 0.000 0.552 432 A N 0.674 123.499 122.820 0.009 0.000 1.835 432 A HA 0.065 4.384 4.320 -0.001 0.000 0.213 432 A C 2.534 180.122 177.584 0.006 0.000 1.210 432 A CA 2.190 54.248 52.037 0.036 0.000 0.605 432 A CB -0.932 18.069 19.000 0.002 0.000 0.860 432 A HN 0.256 nan 8.150 nan 0.000 0.447 433 T N 0.731 115.265 114.554 -0.034 0.000 2.849 433 T HA -0.080 4.270 4.350 -0.001 0.000 0.270 433 T C 1.766 176.403 174.700 -0.104 0.000 1.066 433 T CA 1.328 63.392 62.100 -0.061 0.000 1.130 433 T CB -0.365 68.463 68.868 -0.067 0.000 0.864 433 T HN 0.292 nan 8.240 nan 0.000 0.481 434 L N 0.090 121.262 121.223 -0.085 0.000 2.023 434 L HA 0.021 4.360 4.340 -0.001 0.000 0.205 434 L C 2.363 179.152 176.870 -0.135 0.000 1.073 434 L CA 0.830 55.582 54.840 -0.146 0.000 0.745 434 L CB -0.382 41.680 42.059 0.005 0.000 0.900 434 L HN 0.218 nan 8.230 nan 0.000 0.435 435 L N -0.380 120.867 121.223 0.040 0.000 2.395 435 L HA -0.037 4.302 4.340 -0.001 0.000 0.218 435 L C 2.605 179.510 176.870 0.058 0.000 1.130 435 L CA 1.282 56.194 54.840 0.121 0.000 0.826 435 L CB -1.350 40.791 42.059 0.137 0.000 0.941 435 L HN 0.191 nan 8.230 nan 0.000 0.451 436 A N -1.090 121.729 122.820 -0.003 0.000 1.968 436 A HA -0.195 4.124 4.320 -0.001 0.000 0.217 436 A C 2.237 179.786 177.584 -0.058 0.000 1.169 436 A CA 0.992 53.019 52.037 -0.016 0.000 0.638 436 A CB -0.265 18.725 19.000 -0.017 0.000 0.812 436 A HN 0.439 nan 8.150 nan 0.000 0.446 437 Q N -1.592 118.111 119.800 -0.163 0.000 2.137 437 Q HA -0.075 4.264 4.340 -0.001 0.000 0.198 437 Q C 0.959 176.859 176.000 -0.167 0.000 0.960 437 Q CA 1.104 56.761 55.803 -0.242 0.000 0.847 437 Q CB -0.055 28.415 28.738 -0.447 0.000 0.915 437 Q HN 0.622 nan 8.270 nan 0.000 0.448 438 F N -0.037 119.924 119.950 0.020 0.000 2.811 438 F HA 0.041 4.568 4.527 -0.001 0.000 0.301 438 F C 1.577 177.388 175.800 0.017 0.000 1.151 438 F CA 0.906 58.918 58.000 0.019 0.000 1.412 438 F CB 0.295 39.308 39.000 0.022 0.000 1.113 438 F HN 0.049 nan 8.300 nan 0.000 0.579 439 T N -3.865 110.783 114.554 0.156 0.000 3.266 439 T HA 0.538 4.888 4.350 -0.001 0.000 0.278 439 T C 1.528 176.259 174.700 0.052 0.000 1.010 439 T CA 0.218 62.376 62.100 0.096 0.000 0.909 439 T CB 0.170 69.082 68.868 0.074 0.000 1.122 439 T HN 0.344 nan 8.240 nan 0.000 0.536 440 G N 0.868 109.699 108.800 0.052 0.000 2.268 440 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.240 440 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.240 440 G C 0.703 175.608 174.900 0.008 0.000 1.010 440 G CA -0.167 44.951 45.100 0.030 0.000 0.618 440 G HN 1.099 nan 8.290 nan 0.000 0.516 441 G N 0.100 108.898 108.800 -0.004 0.000 2.670 441 G HA2 0.412 4.372 3.960 -0.001 0.000 0.233 441 G HA3 0.412 4.372 3.960 -0.001 0.000 0.233 441 G C -0.027 174.866 174.900 -0.011 0.000 1.251 441 G CA 0.863 45.952 45.100 -0.018 0.000 0.849 441 G HN 0.674 nan 8.290 nan 0.000 0.588 442 K N 1.184 121.581 120.400 -0.006 0.000 2.477 442 K HA 0.364 4.684 4.320 -0.001 0.000 0.255 442 K C -2.748 173.862 176.600 0.016 0.000 0.952 442 K CA -1.786 54.507 56.287 0.009 0.000 0.826 442 K CB 2.726 35.236 32.500 0.018 0.000 1.331 442 K HN 0.136 nan 8.250 nan 0.000 0.437 443 P HA -0.085 nan 4.420 nan 0.000 0.256 443 P C 0.626 177.957 177.300 0.051 0.000 1.189 443 P CA 0.079 63.201 63.100 0.037 0.000 0.808 443 P CB 0.302 32.030 31.700 0.046 0.000 0.793 444 L N 3.860 125.111 121.223 0.047 0.000 2.129 444 L HA -0.242 4.097 4.340 -0.001 0.000 0.212 444 L C 1.740 178.669 176.870 0.098 0.000 1.087 444 L CA 2.511 57.387 54.840 0.060 0.000 0.757 444 L CB -0.991 41.098 42.059 0.049 0.000 0.896 444 L HN 0.313 nan 8.230 nan 0.000 0.434 445 A N -2.053 120.835 122.820 0.113 0.000 2.119 445 A HA -0.062 4.258 4.320 -0.001 0.000 0.216 445 A C 2.355 180.007 177.584 0.112 0.000 1.152 445 A CA 1.240 53.363 52.037 0.144 0.000 0.708 445 A CB -0.184 18.933 19.000 0.194 0.000 0.805 445 A HN 0.477 nan 8.150 nan 0.000 0.460 446 S N -0.489 115.267 115.700 0.093 0.000 2.421 446 S HA 0.166 4.636 4.470 -0.001 0.000 0.224 446 S C 2.291 176.938 174.600 0.078 0.000 1.035 446 S CA 0.711 58.964 58.200 0.088 0.000 0.953 446 S CB -0.181 63.078 63.200 0.098 0.000 0.810 446 S HN 0.728 nan 8.310 nan 0.000 0.497 447 A N 1.693 124.554 122.820 0.069 0.000 1.902 447 A HA -0.027 4.292 4.320 -0.001 0.000 0.217 447 A C 1.978 179.595 177.584 0.054 0.000 1.181 447 A CA 1.122 53.191 52.037 0.053 0.000 0.623 447 A CB -0.692 18.333 19.000 0.042 0.000 0.818 447 A HN 0.486 nan 8.150 nan 0.000 0.443 448 I N -0.944 119.670 120.570 0.074 0.000 2.315 448 I HA -0.203 3.966 4.170 -0.001 0.000 0.248 448 I C 2.402 178.554 176.117 0.059 0.000 1.117 448 I CA 0.998 62.343 61.300 0.075 0.000 1.404 448 I CB -0.235 37.837 38.000 0.120 0.000 1.071 448 I HN 0.373 nan 8.210 nan 0.000 0.419 449 L N 1.266 122.528 121.223 0.065 0.000 2.056 449 L HA -0.108 4.232 4.340 -0.001 0.000 0.207 449 L C 2.573 179.468 176.870 0.041 0.000 1.078 449 L CA 2.043 56.915 54.840 0.054 0.000 0.749 449 L CB -0.731 41.364 42.059 0.061 0.000 0.901 449 L HN 0.163 nan 8.230 nan 0.000 0.433 450 A N -0.620 122.225 122.820 0.042 0.000 1.933 450 A HA -0.177 4.142 4.320 -0.001 0.000 0.218 450 A C 2.366 179.960 177.584 0.017 0.000 1.175 450 A CA 1.356 53.410 52.037 0.028 0.000 0.628 450 A CB -0.485 18.531 19.000 0.027 0.000 0.814 450 A HN 0.414 nan 8.150 nan 0.000 0.444 451 R N -0.610 119.901 120.500 0.018 0.000 2.070 451 R HA -0.088 4.251 4.340 -0.001 0.000 0.233 451 R C 2.218 178.520 176.300 0.004 0.000 1.137 451 R CA 1.975 58.080 56.100 0.007 0.000 0.945 451 R CB -1.409 28.894 30.300 0.004 0.000 0.845 451 R HN 0.559 nan 8.270 nan 0.000 0.430 452 T N 1.737 116.297 114.554 0.011 0.000 2.867 452 T HA -0.084 4.265 4.350 -0.001 0.000 0.268 452 T C 1.820 176.527 174.700 0.011 0.000 1.057 452 T CA 0.802 62.907 62.100 0.010 0.000 1.136 452 T CB -0.079 68.798 68.868 0.015 0.000 0.874 452 T HN -0.014 nan 8.240 nan 0.000 0.466 453 L N 0.692 121.924 121.223 0.014 0.000 2.162 453 L HA 0.322 4.662 4.340 -0.001 0.000 0.205 453 L C 2.624 179.499 176.870 0.008 0.000 1.086 453 L CA 1.016 55.864 54.840 0.013 0.000 0.778 453 L CB -0.828 41.241 42.059 0.017 0.000 0.928 453 L HN 0.217 nan 8.230 nan 0.000 0.446 454 A N -1.407 121.417 122.820 0.005 0.000 2.067 454 A HA -0.147 4.172 4.320 -0.001 0.000 0.217 454 A C 2.313 179.897 177.584 0.001 0.000 1.156 454 A CA 1.068 53.105 52.037 0.002 0.000 0.683 454 A CB -0.345 18.654 19.000 -0.001 0.000 0.808 454 A HN 0.311 nan 8.150 nan 0.000 0.455 455 K N -0.640 119.760 120.400 0.000 0.000 2.365 455 K HA -0.031 4.288 4.320 -0.001 0.000 0.197 455 K C 2.061 178.665 176.600 0.005 0.000 1.042 455 K CA 0.884 57.170 56.287 -0.001 0.000 0.987 455 K CB -0.036 32.459 32.500 -0.009 0.000 0.779 455 K HN 0.635 nan 8.250 nan 0.000 0.484 456 Q N 0.876 120.680 119.800 0.007 0.000 2.096 456 Q HA -0.132 4.207 4.340 -0.001 0.000 0.197 456 Q C 0.401 176.407 176.000 0.010 0.000 0.964 456 Q CA 1.388 57.197 55.803 0.010 0.000 0.838 456 Q CB 0.288 29.032 28.738 0.011 0.000 0.906 456 Q HN 0.361 nan 8.270 nan 0.000 0.444 457 E N -0.572 119.633 120.200 0.008 0.000 2.304 457 E HA 0.446 4.795 4.350 -0.001 0.000 0.212 457 E C -0.470 176.134 176.600 0.006 0.000 1.185 457 E CA -0.192 56.212 56.400 0.007 0.000 1.326 457 E CB 0.856 30.560 29.700 0.006 0.000 1.283 457 E HN 0.266 nan 8.360 nan 0.000 0.440 458 A N 0.000 122.824 122.820 0.007 0.000 2.254 458 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 458 A CA 0.000 52.041 52.037 0.006 0.000 0.836 458 A CB 0.000 19.002 19.000 0.004 0.000 0.831 458 A HN 0.000 nan 8.150 nan 0.000 0.486