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 3afh_1_A DATA FIRST_RESID 24 DATA SEQUENCE LVRVRFAPSP TGHLHVGGAR TALFNWMFAR KEGGKFILRI EDTDTERSSR DATA SEQUENCE EYEQQILESL RWCGLDWDEG PDIGGDFGPY RQSERLEIYR EYAEKLVEDK DATA SEQUENCE RAYYVVYDKE DPSKELFTTY EYPHEYKEKG HPVTIKFKVL PGKTSFEDLL DATA SEQUENCE KGYMEFDNST LEDFIIMKSN GFPTYNFAVV VDDHLMRISH VFRGEDHLSN DATA SEQUENCE TPKQLMIYEA FGWEAPVFMH IPLILGSDRT PLSKRHGATS VEHFRREGIL DATA SEQUENCE SRALMNYLAL LGWRVEGDEI FTIEEKLQSF DPKDISNKGV IFDYQKLEWV DATA SEQUENCE NGKHMRRIDL EDLKREFIEW AKYAGKEIPS VDERYFSETL RICREKVNTL DATA SEQUENCE SQLYDIMYPF MNDDYEYEKD YVEKFLKREE AERVLEEAKK AFKDLNSWNM DATA SEQUENCE EEIEKTLRDL SEKGLASKKV VFQLIRGAVT GKLVTPGLFE TIEVLGKERT DATA SEQUENCE LKRLERTLQF LKK 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 24 L HA 0.000 nan 4.340 nan 0.000 0.249 24 L C 0.000 176.861 176.870 -0.014 0.000 1.165 24 L CA 0.000 54.827 54.840 -0.022 0.000 0.813 24 L CB 0.000 42.042 42.059 -0.029 0.000 0.961 25 V N 3.246 123.151 119.914 -0.016 0.000 2.479 25 V HA 0.427 4.554 4.120 0.012 0.000 0.281 25 V C 0.339 176.428 176.094 -0.009 0.000 1.031 25 V CA 0.371 62.680 62.300 0.015 0.000 1.038 25 V CB 0.861 32.620 31.823 -0.107 0.000 0.981 25 V HN 0.751 nan 8.190 nan 0.000 0.478 26 R N 3.598 124.109 120.500 0.018 0.000 2.502 26 R HA 0.657 5.005 4.340 0.012 0.000 0.298 26 R C -1.028 175.264 176.300 -0.013 0.000 1.018 26 R CA -0.508 55.574 56.100 -0.029 0.000 0.899 26 R CB 2.227 32.449 30.300 -0.130 0.000 1.181 26 R HN 0.640 nan 8.270 nan 0.000 0.444 27 V N 0.030 119.968 119.914 0.040 0.000 3.113 27 V HA 0.795 4.922 4.120 0.012 0.000 0.316 27 V C -0.622 175.542 176.094 0.116 0.000 1.125 27 V CA -1.026 61.294 62.300 0.033 0.000 1.026 27 V CB 2.123 33.981 31.823 0.059 0.000 1.080 27 V HN 0.802 nan 8.190 nan 0.000 0.444 28 R N 1.576 122.144 120.500 0.112 0.000 2.739 28 R HA 0.574 4.921 4.340 0.012 0.000 0.271 28 R C -2.390 174.050 176.300 0.233 0.000 1.010 28 R CA -0.657 55.492 56.100 0.082 0.000 0.897 28 R CB 1.724 32.011 30.300 -0.023 0.000 1.236 28 R HN 0.845 nan 8.270 nan 0.000 0.466 29 F N 1.553 121.477 119.950 -0.044 0.000 2.449 29 F HA 0.723 5.257 4.527 0.012 0.000 0.342 29 F C -0.949 174.804 175.800 -0.077 0.000 1.127 29 F CA -1.088 56.935 58.000 0.038 0.000 0.975 29 F CB 1.929 41.003 39.000 0.123 0.000 1.146 29 F HN 0.785 nan 8.300 nan 0.000 0.444 30 A N 8.441 130.986 122.820 -0.458 0.000 3.064 30 A HA 0.482 4.809 4.320 0.012 0.000 0.339 30 A C -2.797 174.453 177.584 -0.557 0.000 1.078 30 A CA -1.343 50.444 52.037 -0.417 0.000 0.869 30 A CB -0.693 18.171 19.000 -0.227 0.000 1.067 30 A HN 0.480 nan 8.150 nan 0.000 0.480 31 P HA 0.217 nan 4.420 nan 0.000 0.275 31 P C -0.231 176.898 177.300 -0.286 0.000 1.228 31 P CA 0.104 62.858 63.100 -0.577 0.000 0.786 31 P CB 1.306 32.638 31.700 -0.612 0.000 0.927 32 S N 3.744 119.320 115.700 -0.206 0.000 2.410 32 S HA 0.269 4.746 4.470 0.012 0.000 0.304 32 S C -1.831 172.720 174.600 -0.082 0.000 1.095 32 S CA -1.085 57.032 58.200 -0.138 0.000 1.089 32 S CB 0.265 63.364 63.200 -0.168 0.000 0.968 32 S HN 0.409 nan 8.310 nan 0.000 0.480 33 P HA 0.092 nan 4.420 nan 0.000 0.231 33 P C 0.410 177.768 177.300 0.096 0.000 1.756 33 P CA -0.098 63.033 63.100 0.052 0.000 0.990 33 P CB -0.874 30.884 31.700 0.097 0.000 1.973 34 T N -2.100 112.428 114.554 -0.044 0.000 3.176 34 T HA 0.534 4.891 4.350 0.012 0.000 0.263 34 T C 0.719 175.099 174.700 -0.533 0.000 1.021 34 T CA -0.086 61.956 62.100 -0.098 0.000 0.905 34 T CB 0.247 69.076 68.868 -0.065 0.000 1.057 34 T HN 0.334 nan 8.240 nan 0.000 0.558 35 G N 0.141 108.473 108.800 -0.780 0.000 2.323 35 G HA2 0.387 4.355 3.960 0.012 0.000 0.291 35 G HA3 0.387 4.355 3.960 0.012 0.000 0.291 35 G C -1.764 172.975 174.900 -0.269 0.000 1.278 35 G CA -1.001 43.491 45.100 -1.013 0.000 0.860 35 G HN 0.285 nan 8.290 nan 0.000 0.504 36 H N -0.884 118.052 119.070 -0.223 0.000 2.745 36 H HA 0.412 4.975 4.556 0.012 0.000 0.373 36 H C 0.551 175.907 175.328 0.048 0.000 1.226 36 H CA -0.400 55.641 56.048 -0.011 0.000 1.435 36 H CB 0.981 30.757 29.762 0.025 0.000 1.461 36 H HN 0.442 nan 8.280 nan 0.000 0.616 37 L N 3.400 124.744 121.223 0.202 0.000 2.456 37 L HA 0.066 4.413 4.340 0.012 0.000 0.277 37 L C 0.225 177.239 176.870 0.242 0.000 1.124 37 L CA 0.160 55.131 54.840 0.217 0.000 0.880 37 L CB -0.637 41.538 42.059 0.194 0.000 1.192 37 L HN 0.553 nan 8.230 nan 0.000 0.463 38 H N 3.944 123.102 119.070 0.146 0.000 2.707 38 H HA 0.075 4.638 4.556 0.012 0.000 0.359 38 H C 1.178 176.580 175.328 0.122 0.000 1.113 38 H CA 0.494 56.615 56.048 0.121 0.000 1.422 38 H CB 1.626 31.442 29.762 0.090 0.000 1.443 38 H HN 0.658 nan 8.280 nan 0.000 0.591 39 V N 2.612 122.519 119.914 -0.011 0.000 2.568 39 V HA -0.119 4.008 4.120 0.012 0.000 0.253 39 V C 2.182 178.381 176.094 0.175 0.000 1.072 39 V CA 1.800 64.139 62.300 0.065 0.000 1.084 39 V CB -1.218 30.549 31.823 -0.093 0.000 0.676 39 V HN 0.800 nan 8.190 nan 0.000 0.469 40 G N 0.799 109.874 108.800 0.459 0.000 2.402 40 G HA2 -0.044 3.923 3.960 0.012 0.000 0.216 40 G HA3 -0.044 3.923 3.960 0.012 0.000 0.216 40 G C 1.537 176.563 174.900 0.210 0.000 1.162 40 G CA 0.787 46.074 45.100 0.311 0.000 0.777 40 G HN 0.718 nan 8.290 nan 0.000 0.539 41 G N 1.037 110.002 108.800 0.276 0.000 2.408 41 G HA2 0.072 4.039 3.960 0.012 0.000 0.217 41 G HA3 0.072 4.039 3.960 0.012 0.000 0.217 41 G C 2.028 176.943 174.900 0.025 0.000 1.150 41 G CA 1.455 46.745 45.100 0.316 0.000 0.776 41 G HN 0.617 nan 8.290 nan 0.000 0.542 42 A N 0.681 123.505 122.820 0.007 0.000 1.933 42 A HA -0.002 4.325 4.320 0.012 0.000 0.218 42 A C 2.302 179.750 177.584 -0.227 0.000 1.175 42 A CA 1.848 53.803 52.037 -0.137 0.000 0.628 42 A CB -0.417 18.576 19.000 -0.012 0.000 0.814 42 A HN 0.380 nan 8.150 nan 0.000 0.444 43 R N -0.862 119.536 120.500 -0.171 0.000 2.075 43 R HA -0.099 4.249 4.340 0.012 0.000 0.232 43 R C 2.078 178.120 176.300 -0.429 0.000 1.126 43 R CA 1.960 57.848 56.100 -0.355 0.000 0.963 43 R CB -0.579 29.587 30.300 -0.224 0.000 0.858 43 R HN 0.442 nan 8.270 nan 0.000 0.435 44 T N 0.480 114.952 114.554 -0.137 0.000 2.746 44 T HA -0.102 4.256 4.350 0.012 0.000 0.267 44 T C 1.764 176.449 174.700 -0.026 0.000 1.039 44 T CA 1.376 63.502 62.100 0.043 0.000 1.142 44 T CB -0.255 68.763 68.868 0.249 0.000 0.866 44 T HN 0.470 nan 8.240 nan 0.000 0.444 45 A N 1.192 123.802 122.820 -0.349 0.000 1.930 45 A HA 0.031 4.358 4.320 0.012 0.000 0.217 45 A C 2.220 179.652 177.584 -0.253 0.000 1.175 45 A CA 1.151 52.929 52.037 -0.432 0.000 0.627 45 A CB -0.742 17.666 19.000 -0.987 0.000 0.815 45 A HN 0.416 nan 8.150 nan 0.000 0.443 46 L N -1.151 119.877 121.223 -0.324 0.000 1.989 46 L HA -0.124 4.223 4.340 0.012 0.000 0.211 46 L C 2.104 178.891 176.870 -0.140 0.000 1.071 46 L CA 2.128 56.788 54.840 -0.301 0.000 0.749 46 L CB -0.840 40.959 42.059 -0.433 0.000 0.890 46 L HN 0.319 nan 8.230 nan 0.000 0.431 47 F N 0.179 120.092 119.950 -0.063 0.000 2.216 47 F HA -0.148 4.386 4.527 0.012 0.000 0.300 47 F C 2.538 178.374 175.800 0.060 0.000 1.085 47 F CA 0.961 58.929 58.000 -0.053 0.000 1.326 47 F CB -1.372 37.674 39.000 0.076 0.000 1.027 47 F HN 0.274 nan 8.300 nan 0.000 0.497 48 N N -1.004 117.881 118.700 0.308 0.000 2.106 48 N HA -0.225 4.522 4.740 0.012 0.000 0.188 48 N C 1.910 177.405 175.510 -0.025 0.000 1.029 48 N CA 1.293 54.523 53.050 0.301 0.000 0.848 48 N CB -0.682 38.039 38.487 0.390 0.000 1.007 48 N HN 0.408 nan 8.380 nan 0.000 0.423 49 W N 2.038 122.971 121.300 -0.611 0.000 2.355 49 W HA -0.046 4.621 4.660 0.012 0.000 0.309 49 W C 2.340 178.617 176.519 -0.403 0.000 1.206 49 W CA 1.328 58.186 57.345 -0.811 0.000 1.284 49 W CB -0.201 28.746 29.460 -0.855 0.000 1.145 49 W HN -0.028 nan 8.180 nan 0.000 0.502 50 M N -1.026 118.485 119.600 -0.149 0.000 2.117 50 M HA -0.168 4.319 4.480 0.012 0.000 0.262 50 M C 2.147 178.194 176.300 -0.422 0.000 1.065 50 M CA 1.714 56.757 55.300 -0.429 0.000 1.114 50 M CB -0.969 31.123 32.600 -0.847 0.000 1.361 50 M HN 0.058 nan 8.290 nan 0.000 0.408 51 F N 1.151 120.896 119.950 -0.341 0.000 2.134 51 F HA -0.162 4.372 4.527 0.012 0.000 0.299 51 F C 2.364 178.107 175.800 -0.095 0.000 1.097 51 F CA 1.539 59.590 58.000 0.085 0.000 1.264 51 F CB -0.417 38.816 39.000 0.388 0.000 1.001 51 F HN 0.051 nan 8.300 nan 0.000 0.479 52 A N 0.558 123.279 122.820 -0.165 0.000 1.898 52 A HA -0.130 4.197 4.320 0.012 0.000 0.216 52 A C 2.345 179.685 177.584 -0.407 0.000 1.181 52 A CA 1.289 53.155 52.037 -0.285 0.000 0.620 52 A CB -0.524 18.375 19.000 -0.167 0.000 0.819 52 A HN 0.289 nan 8.150 nan 0.000 0.442 53 R N -0.093 120.053 120.500 -0.590 0.000 2.075 53 R HA -0.079 4.268 4.340 0.012 0.000 0.232 53 R C 2.199 178.276 176.300 -0.371 0.000 1.126 53 R CA 1.575 57.325 56.100 -0.582 0.000 0.963 53 R CB -0.620 29.099 30.300 -0.967 0.000 0.858 53 R HN 0.707 nan 8.270 nan 0.000 0.435 54 K N 1.038 121.246 120.400 -0.319 0.000 2.057 54 K HA -0.112 4.215 4.320 0.012 0.000 0.206 54 K C 1.280 177.740 176.600 -0.233 0.000 1.050 54 K CA 1.197 57.367 56.287 -0.196 0.000 0.935 54 K CB 0.197 32.660 32.500 -0.061 0.000 0.715 54 K HN -0.030 nan 8.250 nan 0.000 0.439 55 E N -0.374 119.607 120.200 -0.364 0.000 2.502 55 E HA -0.001 4.356 4.350 0.012 0.000 0.194 55 E C 0.844 177.280 176.600 -0.273 0.000 1.062 55 E CA 0.804 56.971 56.400 -0.388 0.000 0.867 55 E CB 0.351 29.628 29.700 -0.706 0.000 0.888 55 E HN 0.622 nan 8.360 nan 0.000 0.510 56 G N 1.099 109.751 108.800 -0.246 0.000 2.176 56 G HA2 -0.253 3.714 3.960 0.012 0.000 0.252 56 G HA3 -0.253 3.714 3.960 0.012 0.000 0.252 56 G C 0.606 175.409 174.900 -0.161 0.000 1.024 56 G CA 0.313 45.305 45.100 -0.180 0.000 0.755 56 G HN 0.532 nan 8.290 nan 0.000 0.507 57 G N -1.069 107.613 108.800 -0.197 0.000 2.606 57 G HA2 0.652 4.619 3.960 0.012 0.000 0.262 57 G HA3 0.652 4.619 3.960 0.012 0.000 0.262 57 G C -0.279 174.569 174.900 -0.087 0.000 1.394 57 G CA -0.584 44.435 45.100 -0.135 0.000 1.044 57 G HN 0.256 nan 8.290 nan 0.000 0.553 58 K N -0.663 119.720 120.400 -0.028 0.000 2.259 58 K HA 0.439 4.766 4.320 0.012 0.000 0.252 58 K C -1.850 174.835 176.600 0.141 0.000 0.936 58 K CA -0.722 55.587 56.287 0.037 0.000 0.810 58 K CB 2.360 34.878 32.500 0.031 0.000 1.143 58 K HN 0.298 nan 8.250 nan 0.000 0.427 59 F N 3.274 123.232 119.950 0.012 0.000 2.375 59 F HA 0.408 4.942 4.527 0.012 0.000 0.361 59 F C -0.804 175.088 175.800 0.153 0.000 1.117 59 F CA -1.494 56.561 58.000 0.091 0.000 1.037 59 F CB 0.445 39.532 39.000 0.144 0.000 1.192 59 F HN 0.318 nan 8.300 nan 0.000 0.452 60 I N 6.393 126.849 120.570 -0.190 0.000 2.392 60 I HA 0.328 4.505 4.170 0.012 0.000 0.295 60 I C -1.026 174.833 176.117 -0.429 0.000 0.985 60 I CA -0.734 60.434 61.300 -0.219 0.000 1.221 60 I CB 1.600 39.576 38.000 -0.040 0.000 1.366 60 I HN 0.480 nan 8.210 nan 0.000 0.467 61 L N 7.143 128.131 121.223 -0.392 0.000 2.294 61 L HA 0.534 4.882 4.340 0.012 0.000 0.283 61 L C -0.361 176.383 176.870 -0.210 0.000 1.015 61 L CA -0.227 54.345 54.840 -0.448 0.000 0.831 61 L CB 0.485 42.041 42.059 -0.839 0.000 1.217 61 L HN 0.594 nan 8.230 nan 0.000 0.420 62 R N 5.633 126.051 120.500 -0.137 0.000 2.387 62 R HA 0.557 4.905 4.340 0.012 0.000 0.314 62 R C -1.141 175.096 176.300 -0.105 0.000 0.958 62 R CA -0.785 55.298 56.100 -0.028 0.000 0.846 62 R CB 0.978 31.275 30.300 -0.006 0.000 1.147 62 R HN 0.559 nan 8.270 nan 0.000 0.447 63 I N 4.342 124.883 120.570 -0.048 0.000 2.325 63 I HA 0.148 4.325 4.170 0.012 0.000 0.291 63 I C 0.096 176.199 176.117 -0.023 0.000 1.019 63 I CA -0.079 61.184 61.300 -0.061 0.000 1.302 63 I CB 1.352 39.341 38.000 -0.018 0.000 1.401 63 I HN 0.652 nan 8.210 nan 0.000 0.485 64 E N 5.669 125.833 120.200 -0.061 0.000 2.136 64 E HA 0.103 4.460 4.350 0.012 0.000 0.246 64 E C -0.396 176.208 176.600 0.007 0.000 1.017 64 E CA -0.179 56.206 56.400 -0.025 0.000 0.883 64 E CB 0.550 30.192 29.700 -0.096 0.000 1.199 64 E HN 0.471 nan 8.360 nan 0.000 0.447 65 D N 0.966 121.411 120.400 0.075 0.000 2.615 65 D HA -0.068 4.579 4.640 0.012 0.000 0.236 65 D C 1.181 177.588 176.300 0.178 0.000 1.233 65 D CA -0.232 53.832 54.000 0.106 0.000 0.829 65 D CB -0.008 40.853 40.800 0.102 0.000 1.024 65 D HN 0.210 nan 8.370 nan 0.000 0.490 66 T N -3.594 111.103 114.554 0.238 0.000 3.072 66 T HA -0.118 4.240 4.350 0.012 0.000 0.266 66 T C 0.665 175.449 174.700 0.140 0.000 1.127 66 T CA 0.076 62.380 62.100 0.341 0.000 1.107 66 T CB -0.157 68.979 68.868 0.446 0.000 0.910 66 T HN -0.021 nan 8.240 nan 0.000 0.513 67 D N 1.914 122.401 120.400 0.145 0.000 2.483 67 D HA 0.189 4.836 4.640 0.012 0.000 0.220 67 D C 0.992 177.299 176.300 0.012 0.000 1.173 67 D CA -0.094 53.945 54.000 0.066 0.000 0.964 67 D CB 0.671 41.548 40.800 0.127 0.000 1.046 67 D HN 0.158 nan 8.370 nan 0.000 0.517 68 T N 2.429 116.935 114.554 -0.079 0.000 2.699 68 T HA -0.213 4.144 4.350 0.012 0.000 0.268 68 T C 1.526 176.220 174.700 -0.010 0.000 1.036 68 T CA 1.306 63.378 62.100 -0.045 0.000 1.147 68 T CB 0.061 68.855 68.868 -0.123 0.000 0.862 68 T HN 0.513 nan 8.240 nan 0.000 0.446 69 E N 0.679 120.864 120.200 -0.024 0.000 2.106 69 E HA -0.075 4.282 4.350 0.012 0.000 0.192 69 E C 2.471 179.093 176.600 0.036 0.000 0.984 69 E CA 0.751 57.152 56.400 0.001 0.000 0.806 69 E CB -0.043 29.651 29.700 -0.011 0.000 0.750 69 E HN 0.453 nan 8.360 nan 0.000 0.458 70 R N 0.310 120.839 120.500 0.050 0.000 2.265 70 R HA 0.203 4.550 4.340 0.012 0.000 0.194 70 R C 0.631 177.017 176.300 0.143 0.000 0.931 70 R CA 0.075 56.226 56.100 0.085 0.000 1.032 70 R CB 0.586 30.918 30.300 0.053 0.000 0.980 70 R HN -0.090 nan 8.270 nan 0.000 0.497 71 S N 1.231 117.003 115.700 0.119 0.000 2.616 71 S HA 0.389 4.866 4.470 0.012 0.000 0.277 71 S C 0.078 174.764 174.600 0.142 0.000 1.234 71 S CA -0.588 57.704 58.200 0.154 0.000 1.028 71 S CB 1.743 65.007 63.200 0.106 0.000 0.988 71 S HN 0.333 nan 8.310 nan 0.000 0.522 72 S N 1.358 117.152 115.700 0.157 0.000 2.570 72 S HA 0.499 4.976 4.470 0.012 0.000 0.270 72 S C 0.246 174.872 174.600 0.042 0.000 1.149 72 S CA -0.981 57.243 58.200 0.040 0.000 0.837 72 S CB 1.223 64.353 63.200 -0.116 0.000 1.124 72 S HN 0.409 nan 8.310 nan 0.000 0.465 73 R N 1.256 121.763 120.500 0.011 0.000 2.115 73 R HA -0.019 4.328 4.340 0.012 0.000 0.230 73 R C 2.104 178.409 176.300 0.007 0.000 1.111 73 R CA 1.792 57.906 56.100 0.023 0.000 0.976 73 R CB -1.016 29.294 30.300 0.018 0.000 0.870 73 R HN 0.970 nan 8.270 nan 0.000 0.445 74 E N -0.220 119.940 120.200 -0.066 0.000 2.058 74 E HA -0.217 4.140 4.350 0.012 0.000 0.194 74 E C 1.302 177.901 176.600 -0.001 0.000 0.997 74 E CA 1.256 57.599 56.400 -0.095 0.000 0.801 74 E CB -0.155 29.402 29.700 -0.239 0.000 0.746 74 E HN 0.247 nan 8.360 nan 0.000 0.450 75 Y N 1.186 121.523 120.300 0.062 0.000 2.242 75 Y HA -0.116 4.441 4.550 0.012 0.000 0.291 75 Y C 2.373 178.302 175.900 0.047 0.000 1.137 75 Y CA 1.385 59.532 58.100 0.078 0.000 1.181 75 Y CB -0.754 37.756 38.460 0.084 0.000 0.989 75 Y HN 0.276 nan 8.280 nan 0.000 0.527 76 E N 0.084 120.395 120.200 0.185 0.000 2.038 76 E HA -0.339 4.018 4.350 0.012 0.000 0.195 76 E C 2.192 178.839 176.600 0.078 0.000 1.000 76 E CA 1.551 58.010 56.400 0.098 0.000 0.803 76 E CB -0.041 29.698 29.700 0.065 0.000 0.750 76 E HN 0.329 nan 8.360 nan 0.000 0.448 77 Q N 0.524 120.371 119.800 0.079 0.000 2.096 77 Q HA -0.220 4.127 4.340 0.012 0.000 0.204 77 Q C 2.109 178.155 176.000 0.077 0.000 0.982 77 Q CA 1.849 57.697 55.803 0.075 0.000 0.850 77 Q CB -0.329 28.445 28.738 0.059 0.000 0.901 77 Q HN 0.258 nan 8.270 nan 0.000 0.422 78 Q N -0.124 119.721 119.800 0.075 0.000 2.084 78 Q HA -0.109 4.238 4.340 0.012 0.000 0.202 78 Q C 2.117 178.136 176.000 0.032 0.000 0.978 78 Q CA 1.495 57.311 55.803 0.021 0.000 0.844 78 Q CB -0.233 28.496 28.738 -0.016 0.000 0.898 78 Q HN 0.567 nan 8.270 nan 0.000 0.426 79 I N 0.212 120.827 120.570 0.075 0.000 2.179 79 I HA -0.308 3.869 4.170 0.012 0.000 0.242 79 I C 2.056 178.224 176.117 0.085 0.000 1.088 79 I CA 0.600 61.954 61.300 0.091 0.000 1.357 79 I CB -0.237 37.818 38.000 0.091 0.000 1.051 79 I HN 0.153 nan 8.210 nan 0.000 0.409 80 L N 0.525 121.781 121.223 0.055 0.000 2.046 80 L HA -0.226 4.121 4.340 0.012 0.000 0.208 80 L C 2.506 179.533 176.870 0.261 0.000 1.077 80 L CA 1.756 56.647 54.840 0.084 0.000 0.747 80 L CB -0.881 41.250 42.059 0.120 0.000 0.896 80 L HN 0.235 nan 8.230 nan 0.000 0.432 81 E N -0.529 119.782 120.200 0.185 0.000 2.077 81 E HA -0.171 4.186 4.350 0.012 0.000 0.193 81 E C 2.245 178.956 176.600 0.185 0.000 0.989 81 E CA 1.820 58.326 56.400 0.176 0.000 0.800 81 E CB -0.233 29.530 29.700 0.105 0.000 0.746 81 E HN 0.350 nan 8.360 nan 0.000 0.452 82 S N 0.007 115.791 115.700 0.141 0.000 2.368 82 S HA -0.069 4.408 4.470 0.012 0.000 0.225 82 S C 1.906 176.657 174.600 0.251 0.000 1.030 82 S CA 1.128 59.429 58.200 0.168 0.000 0.999 82 S CB -0.317 62.947 63.200 0.107 0.000 0.844 82 S HN 0.267 nan 8.310 nan 0.000 0.459 83 L N 0.962 122.323 121.223 0.231 0.000 2.046 83 L HA -0.092 4.255 4.340 0.012 0.000 0.208 83 L C 2.889 179.930 176.870 0.286 0.000 1.077 83 L CA 1.024 56.010 54.840 0.244 0.000 0.747 83 L CB -0.429 41.799 42.059 0.282 0.000 0.896 83 L HN 0.182 nan 8.230 nan 0.000 0.432 84 R N -0.088 120.632 120.500 0.367 0.000 2.073 84 R HA -0.247 4.100 4.340 0.012 0.000 0.234 84 R C 2.084 178.462 176.300 0.130 0.000 1.134 84 R CA 1.947 58.182 56.100 0.224 0.000 0.952 84 R CB -0.965 29.468 30.300 0.221 0.000 0.850 84 R HN 0.457 nan 8.270 nan 0.000 0.433 85 W N 0.553 121.850 121.300 -0.005 0.000 2.374 85 W HA -0.192 4.475 4.660 0.012 0.000 0.288 85 W C 1.834 178.304 176.519 -0.080 0.000 1.218 85 W CA 1.192 58.502 57.345 -0.058 0.000 1.245 85 W CB -0.296 29.114 29.460 -0.083 0.000 1.126 85 W HN 0.087 nan 8.180 nan 0.000 0.545 86 C N 0.939 120.238 119.300 -0.001 0.000 2.539 86 C HA 0.310 4.777 4.460 0.012 0.000 0.271 86 C C 1.954 176.724 174.990 -0.367 0.000 1.412 86 C CA 1.104 59.986 59.018 -0.227 0.000 1.729 86 C CB -1.580 26.118 27.740 -0.071 0.000 1.739 86 C HN 0.715 nan 8.230 nan 0.000 0.570 87 G N 0.824 109.429 108.800 -0.325 0.000 2.160 87 G HA2 -0.256 3.711 3.960 0.012 0.000 0.251 87 G HA3 -0.256 3.711 3.960 0.012 0.000 0.251 87 G C 0.080 174.611 174.900 -0.614 0.000 1.008 87 G CA -0.065 44.793 45.100 -0.404 0.000 0.724 87 G HN 0.585 nan 8.290 nan 0.000 0.514 88 L N 1.881 122.832 121.223 -0.453 0.000 2.783 88 L HA 0.307 4.654 4.340 0.012 0.000 0.235 88 L C 0.376 177.324 176.870 0.130 0.000 1.260 88 L CA -0.658 53.823 54.840 -0.598 0.000 1.184 88 L CB -0.275 41.573 42.059 -0.351 0.000 1.472 88 L HN 0.379 nan 8.230 nan 0.000 0.426 89 D N -0.541 119.928 120.400 0.114 0.000 2.472 89 D HA 0.129 4.776 4.640 0.012 0.000 0.237 89 D C -0.359 176.280 176.300 0.566 0.000 1.141 89 D CA -0.255 53.819 54.000 0.123 0.000 0.875 89 D CB 0.454 41.237 40.800 -0.028 0.000 1.192 89 D HN 0.275 nan 8.370 nan 0.000 0.450 90 W N 0.384 121.895 121.300 0.352 0.000 2.639 90 W HA 0.488 5.155 4.660 0.012 0.000 0.347 90 W C -0.082 176.502 176.519 0.109 0.000 1.067 90 W CA -1.005 56.502 57.345 0.270 0.000 1.218 90 W CB 0.841 30.257 29.460 -0.073 0.000 1.393 90 W HN 0.161 nan 8.180 nan 0.000 0.557 91 D N 0.725 121.269 120.400 0.240 0.000 2.305 91 D HA -0.024 4.623 4.640 0.012 0.000 0.206 91 D C -0.249 176.082 176.300 0.051 0.000 0.974 91 D CA 1.039 55.096 54.000 0.095 0.000 0.871 91 D CB 0.517 41.376 40.800 0.098 0.000 0.947 91 D HN 0.576 nan 8.370 nan 0.000 0.516 92 E N -0.710 119.518 120.200 0.046 0.000 2.366 92 E HA 0.614 4.971 4.350 0.012 0.000 0.278 92 E C -0.425 175.960 176.600 -0.359 0.000 0.923 92 E CA -0.787 55.486 56.400 -0.210 0.000 0.761 92 E CB 2.939 32.500 29.700 -0.232 0.000 1.231 92 E HN 0.059 nan 8.360 nan 0.000 0.443 93 G N 1.140 109.531 108.800 -0.681 0.000 2.342 93 G HA2 0.240 4.207 3.960 0.012 0.000 0.297 93 G HA3 0.240 4.207 3.960 0.012 0.000 0.297 93 G C -2.562 172.197 174.900 -0.234 0.000 1.313 93 G CA -0.805 44.010 45.100 -0.476 0.000 0.830 93 G HN 0.292 nan 8.290 nan 0.000 0.506 94 P HA -0.019 nan 4.420 nan 0.000 0.220 94 P C 0.717 178.085 177.300 0.114 0.000 1.148 94 P CA 1.856 65.024 63.100 0.114 0.000 0.803 94 P CB 0.189 31.937 31.700 0.080 0.000 0.782 95 D N 0.884 121.369 120.400 0.142 0.000 2.201 95 D HA -0.082 4.565 4.640 0.012 0.000 0.209 95 D C 2.001 178.373 176.300 0.120 0.000 0.961 95 D CA 0.709 54.801 54.000 0.154 0.000 0.861 95 D CB -1.189 39.746 40.800 0.225 0.000 0.997 95 D HN 0.335 nan 8.370 nan 0.000 0.486 96 I N -3.309 117.333 120.570 0.121 0.000 3.860 96 I HA 0.433 4.610 4.170 0.012 0.000 0.319 96 I C 1.270 177.403 176.117 0.027 0.000 1.279 96 I CA 0.168 61.499 61.300 0.052 0.000 1.220 96 I CB 0.166 38.174 38.000 0.013 0.000 1.027 96 I HN 0.153 nan 8.210 nan 0.000 0.428 97 G N 1.338 110.148 108.800 0.017 0.000 2.562 97 G HA2 0.184 4.151 3.960 0.012 0.000 0.250 97 G HA3 0.184 4.151 3.960 0.012 0.000 0.250 97 G C 0.048 174.959 174.900 0.017 0.000 1.269 97 G CA -0.150 44.997 45.100 0.078 0.000 0.919 97 G HN 1.478 nan 8.290 nan 0.000 0.574 98 G N -2.588 106.337 108.800 0.208 0.000 2.368 98 G HA2 0.499 4.466 3.960 0.012 0.000 0.302 98 G HA3 0.499 4.466 3.960 0.012 0.000 0.302 98 G C -0.291 174.738 174.900 0.215 0.000 1.329 98 G CA 0.695 45.928 45.100 0.223 0.000 0.935 98 G HN 0.998 nan 8.290 nan 0.000 0.590 99 D N -0.435 119.992 120.400 0.044 0.000 2.349 99 D HA 0.145 4.792 4.640 0.012 0.000 0.224 99 D C 0.729 176.612 176.300 -0.696 0.000 1.029 99 D CA 0.792 54.574 54.000 -0.364 0.000 0.879 99 D CB 0.014 40.447 40.800 -0.612 0.000 0.906 99 D HN 0.226 nan 8.370 nan 0.000 0.528 100 F N -0.001 119.972 119.950 0.038 0.000 2.814 100 F HA 0.337 4.871 4.527 0.012 0.000 0.326 100 F C 1.454 176.914 175.800 -0.566 0.000 1.159 100 F CA -0.775 57.121 58.000 -0.174 0.000 1.234 100 F CB 0.651 39.589 39.000 -0.103 0.000 1.016 100 F HN -0.240 nan 8.300 nan 0.000 0.510 101 G N 0.532 109.024 108.800 -0.513 0.000 2.525 101 G HA2 0.475 4.443 3.960 0.012 0.000 0.287 101 G HA3 0.475 4.443 3.960 0.012 0.000 0.287 101 G C -2.315 172.370 174.900 -0.359 0.000 1.350 101 G CA -1.209 43.419 45.100 -0.788 0.000 1.039 101 G HN -0.082 nan 8.290 nan 0.000 0.513 102 P HA 0.150 nan 4.420 nan 0.000 0.270 102 P C -0.726 176.368 177.300 -0.344 0.000 1.223 102 P CA 0.074 63.062 63.100 -0.187 0.000 0.785 102 P CB 0.365 32.018 31.700 -0.079 0.000 0.923 103 Y N -0.610 119.694 120.300 0.006 0.000 2.485 103 Y HA 0.231 4.788 4.550 0.012 0.000 0.260 103 Y C 1.015 176.910 175.900 -0.008 0.000 1.173 103 Y CA 0.161 58.259 58.100 -0.003 0.000 1.252 103 Y CB 0.335 38.793 38.460 -0.004 0.000 1.123 103 Y HN 0.033 nan 8.280 nan 0.000 0.524 104 R N 0.614 121.167 120.500 0.089 0.000 2.387 104 R HA 0.213 4.560 4.340 0.012 0.000 0.314 104 R C 0.634 176.984 176.300 0.083 0.000 0.958 104 R CA -0.332 55.817 56.100 0.081 0.000 0.846 104 R CB 1.283 31.633 30.300 0.083 0.000 1.147 104 R HN 0.343 nan 8.270 nan 0.000 0.447 105 Q N 0.484 120.358 119.800 0.124 0.000 2.226 105 Q HA -0.135 4.213 4.340 0.012 0.000 0.204 105 Q C 1.651 177.800 176.000 0.250 0.000 0.975 105 Q CA 1.825 57.764 55.803 0.226 0.000 0.866 105 Q CB 0.145 29.033 28.738 0.250 0.000 0.915 105 Q HN 0.670 nan 8.270 nan 0.000 0.440 106 S N 0.630 116.449 115.700 0.199 0.000 2.442 106 S HA -0.135 4.342 4.470 0.012 0.000 0.236 106 S C 1.258 175.918 174.600 0.099 0.000 1.007 106 S CA 0.906 59.226 58.200 0.201 0.000 0.965 106 S CB -0.067 63.260 63.200 0.212 0.000 0.773 106 S HN 0.378 nan 8.310 nan 0.000 0.504 107 E N 0.542 120.780 120.200 0.063 0.000 2.463 107 E HA 0.187 4.544 4.350 0.012 0.000 0.193 107 E C 0.951 177.515 176.600 -0.060 0.000 1.041 107 E CA -0.102 56.302 56.400 0.007 0.000 0.879 107 E CB 0.183 29.890 29.700 0.012 0.000 0.997 107 E HN 0.506 nan 8.360 nan 0.000 0.478 108 R N 0.290 120.736 120.500 -0.090 0.000 2.613 108 R HA 0.246 4.593 4.340 0.012 0.000 0.361 108 R C 1.359 177.398 176.300 -0.436 0.000 1.072 108 R CA -0.123 55.792 56.100 -0.307 0.000 1.089 108 R CB 0.323 30.343 30.300 -0.467 0.000 1.343 108 R HN 0.088 nan 8.270 nan 0.000 0.571 109 L N 0.699 121.834 121.223 -0.147 0.000 2.127 109 L HA -0.182 4.165 4.340 0.012 0.000 0.211 109 L C 1.934 178.776 176.870 -0.047 0.000 1.089 109 L CA 1.217 56.032 54.840 -0.042 0.000 0.757 109 L CB -0.176 41.781 42.059 -0.171 0.000 0.899 109 L HN 0.221 nan 8.230 nan 0.000 0.434 110 E N 0.130 120.274 120.200 -0.094 0.000 2.208 110 E HA -0.087 4.270 4.350 0.012 0.000 0.193 110 E C 2.279 178.860 176.600 -0.032 0.000 0.988 110 E CA 0.870 57.245 56.400 -0.042 0.000 0.828 110 E CB 0.057 29.731 29.700 -0.043 0.000 0.763 110 E HN 0.551 nan 8.360 nan 0.000 0.478 111 I N 0.300 120.780 120.570 -0.151 0.000 2.202 111 I HA -0.279 3.898 4.170 0.012 0.000 0.242 111 I C 2.098 178.268 176.117 0.088 0.000 1.091 111 I CA 1.015 62.267 61.300 -0.080 0.000 1.368 111 I CB -0.370 37.458 38.000 -0.287 0.000 1.058 111 I HN 0.058 nan 8.210 nan 0.000 0.410 112 Y N 0.699 121.112 120.300 0.189 0.000 2.181 112 Y HA -0.246 4.311 4.550 0.012 0.000 0.288 112 Y C 2.705 178.851 175.900 0.409 0.000 1.146 112 Y CA 1.205 59.485 58.100 0.300 0.000 1.164 112 Y CB -0.978 37.635 38.460 0.256 0.000 0.982 112 Y HN 0.074 nan 8.280 nan 0.000 0.515 113 R N 0.851 121.573 120.500 0.370 0.000 2.083 113 R HA -0.146 4.201 4.340 0.012 0.000 0.237 113 R C 1.943 178.386 176.300 0.239 0.000 1.137 113 R CA 1.813 58.074 56.100 0.269 0.000 0.951 113 R CB -0.291 30.100 30.300 0.152 0.000 0.851 113 R HN 0.172 nan 8.270 nan 0.000 0.434 114 E N -0.402 119.903 120.200 0.174 0.000 2.077 114 E HA -0.209 4.148 4.350 0.012 0.000 0.193 114 E C 2.065 178.701 176.600 0.061 0.000 0.989 114 E CA 1.475 57.911 56.400 0.061 0.000 0.800 114 E CB -0.540 29.130 29.700 -0.051 0.000 0.746 114 E HN 0.499 nan 8.360 nan 0.000 0.452 115 Y N 0.766 121.250 120.300 0.307 0.000 2.314 115 Y HA -0.014 4.543 4.550 0.012 0.000 0.293 115 Y C 2.412 178.708 175.900 0.661 0.000 1.129 115 Y CA 0.900 59.281 58.100 0.468 0.000 1.201 115 Y CB -0.364 38.313 38.460 0.361 0.000 0.999 115 Y HN 0.039 nan 8.280 nan 0.000 0.541 116 A N 0.059 123.307 122.820 0.713 0.000 1.930 116 A HA -0.191 4.136 4.320 0.012 0.000 0.217 116 A C 2.040 179.704 177.584 0.133 0.000 1.175 116 A CA 1.675 53.904 52.037 0.320 0.000 0.627 116 A CB -0.499 18.544 19.000 0.072 0.000 0.815 116 A HN 0.474 nan 8.150 nan 0.000 0.443 117 E N -0.194 120.110 120.200 0.174 0.000 2.153 117 E HA -0.178 4.179 4.350 0.012 0.000 0.194 117 E C 1.965 178.618 176.600 0.088 0.000 0.988 117 E CA 1.123 57.596 56.400 0.121 0.000 0.811 117 E CB -0.104 29.674 29.700 0.131 0.000 0.746 117 E HN 0.571 nan 8.360 nan 0.000 0.466 118 K N 0.430 120.905 120.400 0.125 0.000 2.057 118 K HA -0.122 4.205 4.320 0.012 0.000 0.207 118 K C 2.207 178.827 176.600 0.035 0.000 1.049 118 K CA 0.868 57.222 56.287 0.111 0.000 0.931 118 K CB -0.080 32.558 32.500 0.231 0.000 0.714 118 K HN 0.144 nan 8.250 nan 0.000 0.440 119 L N 0.527 121.736 121.223 -0.023 0.000 2.056 119 L HA -0.177 4.170 4.340 0.012 0.000 0.207 119 L C 2.366 179.136 176.870 -0.167 0.000 1.078 119 L CA 0.858 55.569 54.840 -0.216 0.000 0.749 119 L CB -0.527 41.327 42.059 -0.343 0.000 0.901 119 L HN -0.015 nan 8.230 nan 0.000 0.433 120 V N -0.451 119.388 119.914 -0.124 0.000 2.295 120 V HA -0.229 3.898 4.120 0.012 0.000 0.246 120 V C 2.535 178.625 176.094 -0.008 0.000 1.049 120 V CA 1.570 63.826 62.300 -0.075 0.000 1.024 120 V CB -0.473 31.250 31.823 -0.167 0.000 0.648 120 V HN 0.411 nan 8.190 nan 0.000 0.447 121 E N -0.010 120.192 120.200 0.004 0.000 2.153 121 E HA -0.234 4.123 4.350 0.012 0.000 0.194 121 E C 1.695 178.255 176.600 -0.068 0.000 0.988 121 E CA 1.454 57.854 56.400 -0.001 0.000 0.811 121 E CB -0.327 29.388 29.700 0.026 0.000 0.746 121 E HN 0.637 nan 8.360 nan 0.000 0.466 122 D N -0.104 120.242 120.400 -0.090 0.000 2.328 122 D HA -0.034 4.613 4.640 0.012 0.000 0.226 122 D C -0.154 176.032 176.300 -0.190 0.000 1.066 122 D CA 0.101 54.028 54.000 -0.122 0.000 0.861 122 D CB 0.103 40.839 40.800 -0.107 0.000 0.912 122 D HN -0.161 nan 8.370 nan 0.000 0.521 123 K N -0.472 119.785 120.400 -0.239 0.000 3.160 123 K HA -0.225 4.102 4.320 0.012 0.000 0.280 123 K C 0.559 177.054 176.600 -0.175 0.000 1.154 123 K CA 0.396 56.471 56.287 -0.354 0.000 0.822 123 K CB -1.891 30.303 32.500 -0.511 0.000 1.239 123 K HN 0.406 nan 8.250 nan 0.000 0.489 124 R N -0.585 119.790 120.500 -0.209 0.000 2.397 124 R HA 0.315 4.662 4.340 0.012 0.000 0.241 124 R C 0.587 176.600 176.300 -0.479 0.000 0.914 124 R CA 0.689 56.572 56.100 -0.361 0.000 1.071 124 R CB 0.875 30.916 30.300 -0.432 0.000 1.116 124 R HN 0.291 nan 8.270 nan 0.000 0.524 125 A N 0.142 122.808 122.820 -0.256 0.000 2.602 125 A HA 0.655 4.982 4.320 0.012 0.000 0.290 125 A C -1.724 175.767 177.584 -0.155 0.000 1.114 125 A CA -0.812 51.001 52.037 -0.374 0.000 0.683 125 A CB 1.091 19.823 19.000 -0.447 0.000 1.281 125 A HN 0.199 nan 8.150 nan 0.000 0.416 126 Y N -2.638 117.438 120.300 -0.374 0.000 2.638 126 Y HA 0.753 5.310 4.550 0.012 0.000 0.335 126 Y C -1.464 174.132 175.900 -0.507 0.000 1.155 126 Y CA -1.554 56.266 58.100 -0.466 0.000 1.046 126 Y CB 0.514 38.609 38.460 -0.608 0.000 1.303 126 Y HN 0.592 nan 8.280 nan 0.000 0.460 127 Y N 0.830 121.105 120.300 -0.042 0.000 2.301 127 Y HA 0.580 5.137 4.550 0.012 0.000 0.325 127 Y C -0.185 175.617 175.900 -0.162 0.000 1.203 127 Y CA -0.911 57.105 58.100 -0.140 0.000 1.255 127 Y CB 1.452 39.797 38.460 -0.191 0.000 1.232 127 Y HN 0.475 nan 8.280 nan 0.000 0.501 128 V N 3.662 123.519 119.914 -0.095 0.000 2.483 128 V HA 0.400 4.527 4.120 0.012 0.000 0.297 128 V C -0.724 175.055 176.094 -0.526 0.000 1.027 128 V CA -0.954 61.152 62.300 -0.325 0.000 0.855 128 V CB 1.620 33.286 31.823 -0.262 0.000 0.995 128 V HN 0.501 nan 8.190 nan 0.000 0.424 129 V N 5.465 124.849 119.914 -0.882 0.000 2.435 129 V HA 0.517 4.644 4.120 0.012 0.000 0.290 129 V C -0.798 174.811 176.094 -0.808 0.000 1.030 129 V CA -0.629 61.158 62.300 -0.855 0.000 0.881 129 V CB 1.397 32.374 31.823 -1.410 0.000 0.983 129 V HN 0.734 nan 8.190 nan 0.000 0.445 130 Y N 1.378 121.559 120.300 -0.199 0.000 2.496 130 Y HA 0.425 4.982 4.550 0.012 0.000 0.331 130 Y C 0.433 176.398 175.900 0.108 0.000 1.140 130 Y CA -0.865 57.196 58.100 -0.065 0.000 1.166 130 Y CB 1.067 39.501 38.460 -0.043 0.000 1.249 130 Y HN 0.701 nan 8.280 nan 0.000 0.479 131 D N 0.770 121.314 120.400 0.241 0.000 2.382 131 D HA 0.031 4.679 4.640 0.012 0.000 0.240 131 D C 0.891 177.232 176.300 0.068 0.000 1.146 131 D CA 0.162 54.293 54.000 0.219 0.000 0.897 131 D CB 0.941 41.822 40.800 0.136 0.000 1.197 131 D HN 0.582 nan 8.370 nan 0.000 0.432 132 K N 1.293 121.577 120.400 -0.193 0.000 2.098 132 K HA -0.069 4.258 4.320 0.012 0.000 0.203 132 K C 1.286 177.814 176.600 -0.120 0.000 1.051 132 K CA 0.518 56.621 56.287 -0.307 0.000 0.957 132 K CB 0.201 32.328 32.500 -0.621 0.000 0.738 132 K HN 0.398 nan 8.250 nan 0.000 0.447 133 E N 0.908 121.067 120.200 -0.069 0.000 2.106 133 E HA -0.118 4.239 4.350 0.012 0.000 0.192 133 E C 0.059 176.653 176.600 -0.011 0.000 0.984 133 E CA 0.954 57.337 56.400 -0.029 0.000 0.806 133 E CB -0.037 29.659 29.700 -0.006 0.000 0.750 133 E HN 0.250 nan 8.360 nan 0.000 0.458 134 D N -0.482 119.922 120.400 0.006 0.000 2.412 134 D HA 0.175 4.822 4.640 0.012 0.000 0.276 134 D C -2.194 174.126 176.300 0.033 0.000 1.196 134 D CA -2.444 51.566 54.000 0.017 0.000 0.905 134 D CB 1.173 41.990 40.800 0.029 0.000 1.081 134 D HN -0.256 nan 8.370 nan 0.000 0.502 135 P HA -0.149 nan 4.420 nan 0.000 0.222 135 P C 1.217 178.507 177.300 -0.017 0.000 1.142 135 P CA 0.968 64.062 63.100 -0.009 0.000 0.788 135 P CB 0.220 31.879 31.700 -0.069 0.000 0.767 136 S N -1.864 113.843 115.700 0.013 0.000 2.496 136 S HA -0.036 4.441 4.470 0.012 0.000 0.224 136 S C 0.986 175.669 174.600 0.138 0.000 0.996 136 S CA 0.000 58.219 58.200 0.031 0.000 0.927 136 S CB -0.614 62.594 63.200 0.013 0.000 0.774 136 S HN 0.061 nan 8.310 nan 0.000 0.524 137 K N 2.388 122.878 120.400 0.150 0.000 2.285 137 K HA 0.155 4.482 4.320 0.012 0.000 0.286 137 K C -0.360 176.336 176.600 0.160 0.000 1.072 137 K CA -0.277 56.091 56.287 0.135 0.000 0.913 137 K CB 0.523 33.075 32.500 0.087 0.000 1.067 137 K HN 0.379 nan 8.250 nan 0.000 0.479 138 E N 5.280 125.520 120.200 0.066 0.000 2.290 138 E HA 0.020 4.377 4.350 0.012 0.000 0.277 138 E C 0.272 176.765 176.600 -0.178 0.000 1.035 138 E CA -0.211 56.062 56.400 -0.211 0.000 0.873 138 E CB 0.724 30.286 29.700 -0.231 0.000 1.029 138 E HN 0.706 nan 8.360 nan 0.000 0.419 139 L N 4.908 125.964 121.223 -0.278 0.000 2.145 139 L HA 0.191 4.538 4.340 0.012 0.000 0.201 139 L C 0.385 177.248 176.870 -0.011 0.000 1.075 139 L CA 0.403 55.177 54.840 -0.109 0.000 0.773 139 L CB -0.073 41.934 42.059 -0.087 0.000 0.936 139 L HN 0.592 nan 8.230 nan 0.000 0.451 140 F N -2.640 117.126 119.950 -0.307 0.000 2.878 140 F HA 0.475 5.010 4.527 0.012 0.000 0.322 140 F C -0.830 174.797 175.800 -0.288 0.000 1.154 140 F CA -1.287 56.552 58.000 -0.269 0.000 0.896 140 F CB 0.665 39.516 39.000 -0.247 0.000 1.313 140 F HN -0.190 nan 8.300 nan 0.000 0.451 141 T N -1.051 113.458 114.554 -0.075 0.000 2.932 141 T HA 0.827 5.185 4.350 0.012 0.000 0.289 141 T C -0.752 173.930 174.700 -0.030 0.000 1.039 141 T CA -0.312 61.688 62.100 -0.167 0.000 1.024 141 T CB 1.822 70.505 68.868 -0.308 0.000 1.090 141 T HN 1.375 nan 8.240 nan 0.000 0.496 142 T N -0.260 114.240 114.554 -0.090 0.000 2.831 142 T HA 0.384 4.741 4.350 0.012 0.000 0.333 142 T C -1.105 173.575 174.700 -0.035 0.000 1.684 142 T CA -0.613 61.456 62.100 -0.051 0.000 1.049 142 T CB 0.866 69.842 68.868 0.180 0.000 1.518 142 T HN 0.583 nan 8.240 nan 0.000 0.491 143 Y N 0.678 121.073 120.300 0.159 0.000 2.482 143 Y HA 0.386 4.943 4.550 0.012 0.000 0.270 143 Y C 1.309 177.388 175.900 0.299 0.000 1.152 143 Y CA -0.142 58.065 58.100 0.180 0.000 1.292 143 Y CB 0.540 39.045 38.460 0.076 0.000 1.070 143 Y HN 0.382 nan 8.280 nan 0.000 0.528 144 E N 0.456 120.872 120.200 0.361 0.000 2.146 144 E HA 0.017 4.374 4.350 0.012 0.000 0.282 144 E C -1.128 175.532 176.600 0.100 0.000 0.989 144 E CA -0.893 55.664 56.400 0.261 0.000 0.799 144 E CB 0.688 30.496 29.700 0.179 0.000 1.088 144 E HN 0.217 nan 8.360 nan 0.000 0.397 145 Y N 5.975 126.164 120.300 -0.185 0.000 2.802 145 Y HA -0.051 4.506 4.550 0.012 0.000 0.333 145 Y C -1.514 174.085 175.900 -0.503 0.000 1.244 145 Y CA -1.059 56.565 58.100 -0.794 0.000 1.558 145 Y CB 0.603 38.599 38.460 -0.773 0.000 1.233 145 Y HN 0.251 nan 8.280 nan 0.000 0.547 146 P HA 0.011 nan 4.420 nan 0.000 0.237 146 P C 0.148 177.289 177.300 -0.265 0.000 1.788 146 P CA 0.350 63.245 63.100 -0.342 0.000 1.061 146 P CB 0.008 31.543 31.700 -0.275 0.000 1.967 147 H N 2.424 121.537 119.070 0.071 0.000 2.319 147 H HA -0.169 4.394 4.556 0.012 0.000 0.297 147 H C 1.976 177.360 175.328 0.093 0.000 1.097 147 H CA 2.028 58.182 56.048 0.177 0.000 1.285 147 H CB -0.142 29.725 29.762 0.176 0.000 1.368 147 H HN 0.488 nan 8.280 nan 0.000 0.495 148 E N 1.047 121.343 120.200 0.160 0.000 2.077 148 E HA -0.208 4.149 4.350 0.012 0.000 0.193 148 E C 1.879 178.426 176.600 -0.089 0.000 0.989 148 E CA 1.161 57.563 56.400 0.003 0.000 0.800 148 E CB -0.913 28.726 29.700 -0.103 0.000 0.746 148 E HN 0.506 nan 8.360 nan 0.000 0.452 149 Y N 1.262 121.535 120.300 -0.046 0.000 2.263 149 Y HA -0.057 4.500 4.550 0.012 0.000 0.292 149 Y C 2.641 178.560 175.900 0.032 0.000 1.130 149 Y CA 1.474 59.503 58.100 -0.118 0.000 1.179 149 Y CB -0.182 38.109 38.460 -0.282 0.000 0.998 149 Y HN 0.029 nan 8.280 nan 0.000 0.532 150 K N 0.663 121.146 120.400 0.138 0.000 2.026 150 K HA -0.160 4.167 4.320 0.012 0.000 0.208 150 K C 1.731 178.425 176.600 0.156 0.000 1.048 150 K CA 1.653 58.022 56.287 0.135 0.000 0.929 150 K CB -0.159 32.426 32.500 0.143 0.000 0.713 150 K HN 0.062 nan 8.250 nan 0.000 0.439 151 E N 0.538 120.824 120.200 0.144 0.000 2.265 151 E HA -0.133 4.224 4.350 0.012 0.000 0.196 151 E C 1.211 177.869 176.600 0.097 0.000 0.996 151 E CA 1.047 57.516 56.400 0.114 0.000 0.832 151 E CB 0.017 29.774 29.700 0.095 0.000 0.756 151 E HN 0.361 nan 8.360 nan 0.000 0.491 152 K N -0.656 119.815 120.400 0.119 0.000 2.417 152 K HA 0.152 4.479 4.320 0.012 0.000 0.196 152 K C 0.845 177.538 176.600 0.155 0.000 1.023 152 K CA 0.463 56.830 56.287 0.133 0.000 1.122 152 K CB 0.626 33.216 32.500 0.150 0.000 0.850 152 K HN 0.164 nan 8.250 nan 0.000 0.521 153 G N 1.560 110.452 108.800 0.153 0.000 2.141 153 G HA2 -0.239 3.728 3.960 0.012 0.000 0.242 153 G HA3 -0.239 3.728 3.960 0.012 0.000 0.242 153 G C -0.327 174.628 174.900 0.092 0.000 0.982 153 G CA -0.338 44.821 45.100 0.099 0.000 0.662 153 G HN 0.449 nan 8.290 nan 0.000 0.527 154 H N 1.028 120.159 119.070 0.101 0.000 2.683 154 H HA 0.251 4.814 4.556 0.012 0.000 0.339 154 H C -2.129 173.250 175.328 0.085 0.000 1.081 154 H CA -0.848 55.270 56.048 0.116 0.000 1.432 154 H CB 1.071 30.948 29.762 0.192 0.000 1.462 154 H HN 0.143 nan 8.280 nan 0.000 0.557 155 P HA 0.044 nan 4.420 nan 0.000 0.271 155 P C -0.835 176.589 177.300 0.207 0.000 1.216 155 P CA -0.088 63.095 63.100 0.138 0.000 0.776 155 P CB 0.837 32.567 31.700 0.050 0.000 0.881 156 V N 2.572 122.570 119.914 0.140 0.000 2.623 156 V HA 0.548 4.675 4.120 0.012 0.000 0.304 156 V C 0.209 176.382 176.094 0.133 0.000 1.054 156 V CA -0.431 61.924 62.300 0.092 0.000 0.882 156 V CB 2.067 33.847 31.823 -0.070 0.000 1.002 156 V HN 0.717 nan 8.190 nan 0.000 0.424 157 T N 2.249 116.901 114.554 0.164 0.000 2.888 157 T HA 0.845 5.202 4.350 0.012 0.000 0.288 157 T C -0.741 173.971 174.700 0.020 0.000 1.063 157 T CA -0.794 61.369 62.100 0.106 0.000 1.010 157 T CB 2.105 71.045 68.868 0.120 0.000 1.214 157 T HN 0.348 nan 8.240 nan 0.000 0.533 158 I N 0.792 121.301 120.570 -0.101 0.000 2.465 158 I HA 0.476 4.653 4.170 0.012 0.000 0.291 158 I C -0.161 175.705 176.117 -0.419 0.000 1.014 158 I CA -0.935 60.179 61.300 -0.310 0.000 1.093 158 I CB 2.141 39.938 38.000 -0.338 0.000 1.267 158 I HN 0.515 nan 8.210 nan 0.000 0.431 159 K N 4.879 124.869 120.400 -0.684 0.000 2.259 159 K HA 0.474 4.802 4.320 0.012 0.000 0.249 159 K C -1.128 174.944 176.600 -0.879 0.000 0.942 159 K CA -0.752 55.082 56.287 -0.755 0.000 0.816 159 K CB 2.614 34.615 32.500 -0.832 0.000 1.155 159 K HN 0.343 nan 8.250 nan 0.000 0.428 160 F N 2.352 121.731 119.950 -0.951 0.000 2.396 160 F HA 0.202 4.736 4.527 0.012 0.000 0.343 160 F C 0.203 175.633 175.800 -0.617 0.000 1.104 160 F CA -0.325 57.147 58.000 -0.881 0.000 1.161 160 F CB 0.827 39.043 39.000 -1.306 0.000 1.146 160 F HN 0.247 nan 8.300 nan 0.000 0.522 161 K N 6.424 126.291 120.400 -0.888 0.000 2.263 161 K HA 0.383 4.710 4.320 0.012 0.000 0.282 161 K C -1.306 175.062 176.600 -0.386 0.000 1.089 161 K CA -0.531 55.521 56.287 -0.392 0.000 0.907 161 K CB 0.610 32.999 32.500 -0.185 0.000 1.148 161 K HN 0.560 nan 8.250 nan 0.000 0.470 162 V N 6.621 126.550 119.914 0.025 0.000 2.521 162 V HA 0.086 4.213 4.120 0.012 0.000 0.286 162 V C 0.394 176.560 176.094 0.119 0.000 1.034 162 V CA -0.308 62.130 62.300 0.229 0.000 1.045 162 V CB 0.475 32.502 31.823 0.340 0.000 0.974 162 V HN 0.672 nan 8.190 nan 0.000 0.480 163 L N 8.105 129.405 121.223 0.129 0.000 2.334 163 L HA 0.460 4.807 4.340 0.012 0.000 0.277 163 L C -1.810 175.127 176.870 0.111 0.000 1.075 163 L CA -1.782 53.108 54.840 0.082 0.000 0.804 163 L CB 1.289 43.386 42.059 0.063 0.000 1.174 163 L HN 0.442 nan 8.230 nan 0.000 0.438 164 P HA 0.291 nan 4.420 nan 0.000 0.270 164 P C 0.032 177.385 177.300 0.088 0.000 1.223 164 P CA 0.231 63.379 63.100 0.079 0.000 0.785 164 P CB 1.230 32.962 31.700 0.052 0.000 0.923 165 G N 0.206 109.058 108.800 0.087 0.000 2.293 165 G HA2 0.131 4.098 3.960 0.012 0.000 0.282 165 G HA3 0.131 4.098 3.960 0.012 0.000 0.282 165 G C -1.704 173.262 174.900 0.110 0.000 1.299 165 G CA -0.713 44.442 45.100 0.091 0.000 1.018 165 G HN 0.620 nan 8.290 nan 0.000 0.478 166 K N -0.188 120.285 120.400 0.121 0.000 2.259 166 K HA 0.810 5.137 4.320 0.012 0.000 0.252 166 K C -0.663 176.043 176.600 0.177 0.000 0.936 166 K CA -0.353 56.020 56.287 0.143 0.000 0.810 166 K CB 1.982 34.554 32.500 0.121 0.000 1.143 166 K HN 0.599 nan 8.250 nan 0.000 0.427 167 T N 1.351 116.039 114.554 0.222 0.000 2.809 167 T HA 0.586 4.943 4.350 0.012 0.000 0.284 167 T C -1.075 173.739 174.700 0.189 0.000 0.992 167 T CA -0.779 61.445 62.100 0.206 0.000 0.957 167 T CB 0.944 69.931 68.868 0.198 0.000 0.942 167 T HN 0.636 nan 8.240 nan 0.000 0.439 168 S N 2.595 118.397 115.700 0.171 0.000 2.588 168 S HA 0.947 5.424 4.470 0.012 0.000 0.275 168 S C -1.123 173.616 174.600 0.232 0.000 1.130 168 S CA -1.027 57.224 58.200 0.085 0.000 0.855 168 S CB 1.809 65.007 63.200 -0.004 0.000 1.116 168 S HN 0.815 nan 8.310 nan 0.000 0.472 169 F N -1.265 118.594 119.950 -0.153 0.000 2.719 169 F HA 0.806 5.340 4.527 0.012 0.000 0.309 169 F C -1.215 174.580 175.800 -0.009 0.000 1.138 169 F CA -0.954 57.039 58.000 -0.012 0.000 0.943 169 F CB 1.240 40.250 39.000 0.016 0.000 1.304 169 F HN 0.641 nan 8.300 nan 0.000 0.445 170 E N 2.019 122.283 120.200 0.106 0.000 2.055 170 E HA 0.254 4.611 4.350 0.012 0.000 0.274 170 E C -1.545 175.131 176.600 0.127 0.000 0.949 170 E CA -0.212 56.211 56.400 0.039 0.000 0.775 170 E CB 0.851 30.644 29.700 0.155 0.000 1.097 170 E HN 0.675 nan 8.360 nan 0.000 0.404 171 D N 3.254 123.640 120.400 -0.023 0.000 2.350 171 D HA 0.046 4.693 4.640 0.012 0.000 0.249 171 D C 0.828 177.209 176.300 0.135 0.000 1.119 171 D CA -0.389 53.746 54.000 0.226 0.000 0.886 171 D CB 0.809 41.736 40.800 0.212 0.000 1.195 171 D HN 0.400 nan 8.370 nan 0.000 0.437 172 L N 3.148 124.460 121.223 0.148 0.000 2.127 172 L HA -0.119 4.228 4.340 0.012 0.000 0.211 172 L C 1.642 178.496 176.870 -0.027 0.000 1.089 172 L CA 1.652 56.511 54.840 0.031 0.000 0.757 172 L CB -0.364 41.669 42.059 -0.044 0.000 0.899 172 L HN 0.678 nan 8.230 nan 0.000 0.434 173 L N -2.267 118.954 121.223 -0.004 0.000 2.577 173 L HA 0.080 4.428 4.340 0.012 0.000 0.225 173 L C 1.794 178.667 176.870 0.004 0.000 1.053 173 L CA -0.001 54.823 54.840 -0.028 0.000 0.866 173 L CB -0.023 42.008 42.059 -0.047 0.000 1.132 173 L HN -0.008 nan 8.230 nan 0.000 0.486 174 K N 0.883 121.305 120.400 0.036 0.000 2.393 174 K HA 0.296 4.623 4.320 0.012 0.000 0.193 174 K C 0.865 177.440 176.600 -0.043 0.000 1.026 174 K CA 0.680 56.970 56.287 0.005 0.000 1.064 174 K CB 0.436 32.949 32.500 0.020 0.000 0.833 174 K HN 0.254 nan 8.250 nan 0.000 0.521 175 G N 1.545 110.323 108.800 -0.037 0.000 2.741 175 G HA2 -0.336 3.631 3.960 0.012 0.000 0.222 175 G HA3 -0.336 3.631 3.960 0.012 0.000 0.222 175 G C -0.749 174.085 174.900 -0.110 0.000 1.364 175 G CA -0.347 44.732 45.100 -0.034 0.000 0.866 175 G HN 0.259 nan 8.290 nan 0.000 0.555 176 Y N 1.394 121.601 120.300 -0.156 0.000 2.650 176 Y HA 0.489 5.046 4.550 0.012 0.000 0.331 176 Y C 0.904 176.649 175.900 -0.259 0.000 1.165 176 Y CA 0.158 58.140 58.100 -0.197 0.000 1.473 176 Y CB 0.235 38.634 38.460 -0.102 0.000 1.224 176 Y HN 0.498 nan 8.280 nan 0.000 0.533 177 M N 6.294 125.270 119.600 -1.040 0.000 2.393 177 M HA 0.348 4.835 4.480 0.012 0.000 0.316 177 M C -0.888 174.935 176.300 -0.796 0.000 1.087 177 M CA -0.559 54.252 55.300 -0.814 0.000 0.937 177 M CB 1.994 34.028 32.600 -0.943 0.000 1.668 177 M HN 0.693 nan 8.290 nan 0.000 0.438 178 E N 1.636 121.599 120.200 -0.395 0.000 2.288 178 E HA 0.679 5.036 4.350 0.012 0.000 0.268 178 E C -2.144 174.502 176.600 0.077 0.000 0.885 178 E CA -0.493 55.807 56.400 -0.167 0.000 0.767 178 E CB 2.855 32.518 29.700 -0.062 0.000 1.220 178 E HN 0.526 nan 8.360 nan 0.000 0.427 179 F N 2.416 122.349 119.950 -0.028 0.000 2.581 179 F HA 0.253 4.787 4.527 0.012 0.000 0.311 179 F C -1.224 174.590 175.800 0.023 0.000 1.113 179 F CA -0.871 57.128 58.000 -0.001 0.000 0.935 179 F CB 1.645 40.649 39.000 0.006 0.000 1.232 179 F HN 0.304 nan 8.300 nan 0.000 0.445 180 D N 4.400 124.498 120.400 -0.502 0.000 2.365 180 D HA 0.182 4.829 4.640 0.012 0.000 0.237 180 D C 0.662 176.814 176.300 -0.247 0.000 1.190 180 D CA 0.065 53.895 54.000 -0.282 0.000 0.867 180 D CB 0.642 41.272 40.800 -0.282 0.000 1.050 180 D HN 0.521 nan 8.370 nan 0.000 0.491 181 N N 1.651 120.426 118.700 0.124 0.000 2.094 181 N HA -0.183 4.564 4.740 0.012 0.000 0.191 181 N C 1.519 177.131 175.510 0.170 0.000 1.023 181 N CA 0.985 54.201 53.050 0.276 0.000 0.857 181 N CB -0.217 38.413 38.487 0.238 0.000 1.013 181 N HN 0.313 nan 8.380 nan 0.000 0.426 182 S N -0.394 115.346 115.700 0.066 0.000 2.440 182 S HA -0.146 4.331 4.470 0.012 0.000 0.240 182 S C 1.848 176.465 174.600 0.029 0.000 1.014 182 S CA 1.602 59.829 58.200 0.045 0.000 0.980 182 S CB -0.695 62.511 63.200 0.011 0.000 0.775 182 S HN 0.708 nan 8.310 nan 0.000 0.499 183 T N -0.861 113.674 114.554 -0.033 0.000 3.148 183 T HA 0.234 4.591 4.350 0.012 0.000 0.253 183 T C 0.203 174.956 174.700 0.088 0.000 1.134 183 T CA -0.026 62.051 62.100 -0.038 0.000 1.051 183 T CB -0.222 68.525 68.868 -0.200 0.000 0.959 183 T HN 0.164 nan 8.240 nan 0.000 0.525 184 L N 1.901 123.238 121.223 0.190 0.000 2.325 184 L HA 0.527 4.875 4.340 0.012 0.000 0.281 184 L C -0.605 176.404 176.870 0.233 0.000 1.004 184 L CA -0.689 54.301 54.840 0.250 0.000 0.823 184 L CB 1.581 43.852 42.059 0.353 0.000 1.236 184 L HN -0.040 nan 8.230 nan 0.000 0.415 185 E N 2.393 122.716 120.200 0.205 0.000 2.349 185 E HA 0.134 4.491 4.350 0.012 0.000 0.265 185 E C -0.789 175.981 176.600 0.283 0.000 1.064 185 E CA -0.555 55.962 56.400 0.195 0.000 0.886 185 E CB 0.641 30.425 29.700 0.141 0.000 1.036 185 E HN 0.527 nan 8.360 nan 0.000 0.413 186 D N 1.535 122.062 120.400 0.212 0.000 2.571 186 D HA 0.015 4.662 4.640 0.012 0.000 0.231 186 D C -0.165 176.226 176.300 0.151 0.000 1.133 186 D CA 0.795 54.881 54.000 0.143 0.000 0.862 186 D CB -0.119 40.742 40.800 0.102 0.000 1.179 186 D HN 0.187 nan 8.370 nan 0.000 0.474 187 F N -0.333 119.645 119.950 0.047 0.000 2.577 187 F HA 0.563 5.097 4.527 0.012 0.000 0.318 187 F C -0.105 175.654 175.800 -0.069 0.000 1.065 187 F CA -1.490 56.505 58.000 -0.009 0.000 0.929 187 F CB 0.523 39.515 39.000 -0.013 0.000 1.237 187 F HN 0.094 nan 8.300 nan 0.000 0.468 188 I N 2.983 123.581 120.570 0.047 0.000 2.692 188 I HA 0.095 4.272 4.170 0.012 0.000 0.284 188 I C 0.974 177.072 176.117 -0.033 0.000 1.159 188 I CA 0.154 61.413 61.300 -0.070 0.000 1.423 188 I CB 1.028 39.012 38.000 -0.027 0.000 1.380 188 I HN 0.850 nan 8.210 nan 0.000 0.580 189 I N 2.254 122.704 120.570 -0.201 0.000 4.471 189 I HA 0.288 4.465 4.170 0.012 0.000 0.326 189 I C -0.027 175.942 176.117 -0.245 0.000 1.300 189 I CA 0.081 61.224 61.300 -0.260 0.000 1.237 189 I CB 0.527 38.127 38.000 -0.668 0.000 1.195 189 I HN 0.303 nan 8.210 nan 0.000 0.427 190 M N 2.728 122.213 119.600 -0.193 0.000 2.204 190 M HA 0.485 4.972 4.480 0.012 0.000 0.293 190 M C -0.822 175.473 176.300 -0.008 0.000 0.994 190 M CA -0.392 54.874 55.300 -0.057 0.000 0.925 190 M CB 2.159 34.735 32.600 -0.039 0.000 1.577 190 M HN 0.065 nan 8.290 nan 0.000 0.439 191 K N 0.514 120.936 120.400 0.037 0.000 2.107 191 K HA 0.283 4.610 4.320 0.012 0.000 0.251 191 K C 1.093 177.732 176.600 0.066 0.000 1.012 191 K CA -0.093 56.212 56.287 0.030 0.000 0.920 191 K CB 0.873 33.388 32.500 0.025 0.000 1.033 191 K HN 0.742 nan 8.250 nan 0.000 0.478 192 S N 0.438 116.157 115.700 0.032 0.000 2.442 192 S HA -0.165 4.312 4.470 0.012 0.000 0.236 192 S C 1.217 175.872 174.600 0.091 0.000 1.007 192 S CA 1.451 59.683 58.200 0.053 0.000 0.965 192 S CB -0.459 62.739 63.200 -0.003 0.000 0.773 192 S HN 0.723 nan 8.310 nan 0.000 0.504 193 N N 1.312 120.080 118.700 0.113 0.000 2.461 193 N HA 0.227 4.974 4.740 0.012 0.000 0.188 193 N C 1.258 176.931 175.510 0.273 0.000 1.134 193 N CA 0.733 53.890 53.050 0.178 0.000 0.878 193 N CB -0.590 37.996 38.487 0.166 0.000 0.972 193 N HN 0.624 nan 8.380 nan 0.000 0.456 194 G N -1.343 107.588 108.800 0.218 0.000 2.175 194 G HA2 -0.244 3.723 3.960 0.012 0.000 0.244 194 G HA3 -0.244 3.723 3.960 0.012 0.000 0.244 194 G C -0.316 174.645 174.900 0.102 0.000 0.982 194 G CA -0.163 45.030 45.100 0.156 0.000 0.641 194 G HN 0.318 nan 8.290 nan 0.000 0.527 195 F N 2.859 122.858 119.950 0.082 0.000 2.379 195 F HA 0.558 5.092 4.527 0.012 0.000 0.332 195 F C -1.116 174.707 175.800 0.038 0.000 1.096 195 F CA -1.921 56.124 58.000 0.075 0.000 1.105 195 F CB 1.746 40.768 39.000 0.036 0.000 1.189 195 F HN -0.112 nan 8.300 nan 0.000 0.515 196 P HA 0.148 nan 4.420 nan 0.000 0.276 196 P C -0.680 176.625 177.300 0.009 0.000 1.252 196 P CA -0.388 62.760 63.100 0.080 0.000 0.802 196 P CB 1.028 32.648 31.700 -0.133 0.000 1.035 197 T N -1.476 113.083 114.554 0.009 0.000 2.849 197 T HA 0.156 4.514 4.350 0.012 0.000 0.284 197 T C 1.073 175.739 174.700 -0.057 0.000 1.004 197 T CA -0.080 61.949 62.100 -0.120 0.000 1.021 197 T CB -0.109 68.739 68.868 -0.034 0.000 1.013 197 T HN 0.231 nan 8.240 nan 0.000 0.527 198 Y N 0.962 121.279 120.300 0.029 0.000 2.128 198 Y HA -0.081 4.476 4.550 0.012 0.000 0.284 198 Y C 2.613 178.515 175.900 0.004 0.000 1.154 198 Y CA 1.251 59.354 58.100 0.004 0.000 1.149 198 Y CB -1.443 37.030 38.460 0.022 0.000 0.976 198 Y HN 0.705 nan 8.280 nan 0.000 0.505 199 N N -0.902 117.902 118.700 0.174 0.000 2.120 199 N HA -0.204 4.543 4.740 0.012 0.000 0.188 199 N C 1.648 177.230 175.510 0.119 0.000 1.024 199 N CA 1.113 54.224 53.050 0.103 0.000 0.852 199 N CB -0.418 38.081 38.487 0.020 0.000 1.003 199 N HN 0.168 nan 8.380 nan 0.000 0.424 200 F N 1.785 121.735 119.950 -0.000 0.000 2.113 200 F HA 0.020 4.554 4.527 0.012 0.000 0.297 200 F C 2.246 178.033 175.800 -0.022 0.000 1.103 200 F CA 1.029 59.036 58.000 0.011 0.000 1.248 200 F CB -0.607 38.408 39.000 0.025 0.000 0.999 200 F HN -0.037 nan 8.300 nan 0.000 0.475 201 A N -0.146 122.552 122.820 -0.203 0.000 1.908 201 A HA -0.142 4.185 4.320 0.012 0.000 0.218 201 A C 2.338 179.828 177.584 -0.156 0.000 1.181 201 A CA 2.068 53.841 52.037 -0.439 0.000 0.627 201 A CB -1.409 17.278 19.000 -0.522 0.000 0.818 201 A HN 0.265 nan 8.150 nan 0.000 0.445 202 V N -0.430 119.439 119.914 -0.074 0.000 2.295 202 V HA -0.237 3.890 4.120 0.012 0.000 0.246 202 V C 2.572 178.635 176.094 -0.052 0.000 1.049 202 V CA 2.047 64.327 62.300 -0.034 0.000 1.024 202 V CB -0.789 31.037 31.823 0.005 0.000 0.648 202 V HN 0.382 nan 8.190 nan 0.000 0.447 203 V N -0.486 119.358 119.914 -0.117 0.000 2.307 203 V HA -0.199 3.928 4.120 0.012 0.000 0.245 203 V C 2.425 178.394 176.094 -0.209 0.000 1.045 203 V CA 1.786 63.924 62.300 -0.269 0.000 1.024 203 V CB -0.378 31.190 31.823 -0.427 0.000 0.651 203 V HN 0.394 nan 8.190 nan 0.000 0.449 204 V N 0.424 120.198 119.914 -0.233 0.000 2.332 204 V HA -0.269 3.858 4.120 0.012 0.000 0.248 204 V C 2.236 178.192 176.094 -0.230 0.000 1.055 204 V CA 2.296 64.444 62.300 -0.252 0.000 1.038 204 V CB -0.669 30.956 31.823 -0.329 0.000 0.651 204 V HN 0.574 nan 8.190 nan 0.000 0.450 205 D N -0.455 119.876 120.400 -0.115 0.000 2.162 205 D HA -0.109 4.538 4.640 0.012 0.000 0.203 205 D C 1.929 178.147 176.300 -0.136 0.000 0.967 205 D CA 1.018 54.953 54.000 -0.109 0.000 0.840 205 D CB -0.352 40.436 40.800 -0.019 0.000 0.972 205 D HN 0.373 nan 8.370 nan 0.000 0.482 206 D N -0.416 119.937 120.400 -0.079 0.000 2.144 206 D HA -0.148 4.499 4.640 0.012 0.000 0.199 206 D C 1.875 178.110 176.300 -0.109 0.000 0.984 206 D CA 0.926 54.893 54.000 -0.056 0.000 0.834 206 D CB -0.181 40.664 40.800 0.074 0.000 0.955 206 D HN 0.342 nan 8.370 nan 0.000 0.465 207 H N 0.564 119.501 119.070 -0.222 0.000 2.276 207 H HA 0.054 4.617 4.556 0.012 0.000 0.301 207 H C 2.139 177.156 175.328 -0.518 0.000 1.073 207 H CA 1.285 57.071 56.048 -0.436 0.000 1.311 207 H CB -0.447 28.726 29.762 -0.982 0.000 1.379 207 H HN 0.009 nan 8.280 nan 0.000 0.494 208 L N -0.294 120.549 121.223 -0.634 0.000 2.191 208 L HA -0.121 4.226 4.340 0.012 0.000 0.212 208 L C 2.003 178.673 176.870 -0.333 0.000 1.103 208 L CA 1.080 55.608 54.840 -0.519 0.000 0.769 208 L CB -0.277 41.556 42.059 -0.378 0.000 0.908 208 L HN 0.406 nan 8.230 nan 0.000 0.438 209 M N -0.614 118.781 119.600 -0.340 0.000 2.563 209 M HA 0.076 4.563 4.480 0.012 0.000 0.231 209 M C 0.020 175.926 176.300 -0.657 0.000 1.136 209 M CA 0.219 55.278 55.300 -0.401 0.000 1.026 209 M CB 0.160 32.626 32.600 -0.225 0.000 1.597 209 M HN 0.102 nan 8.290 nan 0.000 0.495 210 R N 0.903 121.058 120.500 -0.574 0.000 3.333 210 R HA -0.151 4.196 4.340 0.012 0.000 0.256 210 R C -0.816 175.259 176.300 -0.375 0.000 1.010 210 R CA 0.209 56.003 56.100 -0.510 0.000 0.680 210 R CB -2.218 27.744 30.300 -0.563 0.000 1.102 210 R HN 0.289 nan 8.270 nan 0.000 0.440 211 I N 1.292 121.684 120.570 -0.296 0.000 2.471 211 I HA -0.038 4.139 4.170 0.012 0.000 0.286 211 I C 2.020 178.003 176.117 -0.223 0.000 1.079 211 I CA 0.504 61.672 61.300 -0.221 0.000 1.398 211 I CB 1.276 39.166 38.000 -0.183 0.000 1.403 211 I HN 0.284 nan 8.210 nan 0.000 0.530 212 S N 5.292 120.890 115.700 -0.169 0.000 2.456 212 S HA 0.083 4.560 4.470 0.012 0.000 0.224 212 S C 0.348 174.668 174.600 -0.467 0.000 1.035 212 S CA 0.224 58.291 58.200 -0.222 0.000 0.940 212 S CB -0.005 63.187 63.200 -0.013 0.000 0.799 212 S HN 0.702 nan 8.310 nan 0.000 0.508 213 H N 0.013 118.886 119.070 -0.329 0.000 2.689 213 H HA 0.642 5.205 4.556 0.012 0.000 0.346 213 H C -1.499 173.463 175.328 -0.610 0.000 1.037 213 H CA -0.685 55.048 56.048 -0.526 0.000 1.234 213 H CB 1.878 31.148 29.762 -0.821 0.000 1.572 213 H HN 0.018 nan 8.280 nan 0.000 0.524 214 V N 4.890 124.545 119.914 -0.432 0.000 2.294 214 V HA 0.212 4.339 4.120 0.012 0.000 0.272 214 V C -0.858 175.278 176.094 0.069 0.000 1.027 214 V CA -0.524 61.625 62.300 -0.252 0.000 0.823 214 V CB -0.320 31.297 31.823 -0.342 0.000 1.030 214 V HN 0.538 nan 8.190 nan 0.000 0.457 215 F N 5.877 125.819 119.950 -0.015 0.000 2.332 215 F HA 0.713 5.247 4.527 0.012 0.000 0.368 215 F C 0.616 176.447 175.800 0.052 0.000 1.110 215 F CA -1.230 56.772 58.000 0.003 0.000 1.087 215 F CB 1.030 40.057 39.000 0.045 0.000 1.235 215 F HN 0.527 nan 8.300 nan 0.000 0.470 216 R N 0.378 120.975 120.500 0.161 0.000 2.831 216 R HA 0.853 5.200 4.340 0.012 0.000 0.266 216 R C -0.128 176.287 176.300 0.192 0.000 1.051 216 R CA -1.295 54.900 56.100 0.158 0.000 0.943 216 R CB 0.870 31.209 30.300 0.066 0.000 1.228 216 R HN 0.578 nan 8.270 nan 0.000 0.467 217 G N -0.092 108.870 108.800 0.270 0.000 2.554 217 G HA2 -0.030 3.937 3.960 0.012 0.000 0.238 217 G HA3 -0.030 3.937 3.960 0.012 0.000 0.238 217 G C 0.278 175.389 174.900 0.351 0.000 1.259 217 G CA -0.215 45.052 45.100 0.279 0.000 0.843 217 G HN 0.864 nan 8.290 nan 0.000 0.582 218 E N 0.548 120.909 120.200 0.268 0.000 2.333 218 E HA -0.167 4.190 4.350 0.012 0.000 0.198 218 E C 1.631 178.311 176.600 0.133 0.000 1.007 218 E CA 1.230 57.774 56.400 0.241 0.000 0.845 218 E CB 0.076 29.865 29.700 0.150 0.000 0.766 218 E HN 0.662 nan 8.360 nan 0.000 0.507 219 D N -0.462 119.990 120.400 0.086 0.000 2.378 219 D HA -0.204 4.443 4.640 0.012 0.000 0.222 219 D C 1.013 177.187 176.300 -0.210 0.000 0.980 219 D CA 0.862 54.819 54.000 -0.071 0.000 0.907 219 D CB -0.310 40.414 40.800 -0.126 0.000 0.899 219 D HN 0.419 nan 8.370 nan 0.000 0.527 220 H N -0.488 118.646 119.070 0.107 0.000 2.586 220 H HA 0.142 4.705 4.556 0.012 0.000 0.273 220 H C 1.829 177.124 175.328 -0.054 0.000 0.997 220 H CA -0.280 55.823 56.048 0.092 0.000 1.177 220 H CB 0.767 30.649 29.762 0.200 0.000 1.471 220 H HN 0.100 nan 8.280 nan 0.000 0.538 221 L N 1.653 122.769 121.223 -0.178 0.000 2.042 221 L HA -0.197 4.151 4.340 0.012 0.000 0.210 221 L C 2.416 179.106 176.870 -0.299 0.000 1.076 221 L CA 2.064 56.544 54.840 -0.600 0.000 0.749 221 L CB -0.572 41.265 42.059 -0.369 0.000 0.893 221 L HN 0.171 nan 8.230 nan 0.000 0.432 222 S N -1.758 113.840 115.700 -0.170 0.000 2.474 222 S HA -0.138 4.339 4.470 0.012 0.000 0.235 222 S C 1.640 176.129 174.600 -0.185 0.000 0.997 222 S CA 1.264 59.382 58.200 -0.136 0.000 0.949 222 S CB -1.070 62.078 63.200 -0.087 0.000 0.766 222 S HN 0.681 nan 8.310 nan 0.000 0.517 223 N N 0.688 119.291 118.700 -0.161 0.000 2.463 223 N HA 0.043 4.790 4.740 0.012 0.000 0.181 223 N C 1.144 176.505 175.510 -0.249 0.000 1.078 223 N CA 0.971 53.923 53.050 -0.162 0.000 0.902 223 N CB -0.096 38.388 38.487 -0.006 0.000 0.970 223 N HN 0.404 nan 8.380 nan 0.000 0.451 224 T N 1.168 115.526 114.554 -0.327 0.000 2.746 224 T HA -0.059 4.298 4.350 0.012 0.000 0.267 224 T C -0.894 173.487 174.700 -0.532 0.000 1.039 224 T CA 0.929 62.704 62.100 -0.541 0.000 1.142 224 T CB -0.934 67.406 68.868 -0.880 0.000 0.866 224 T HN 0.206 nan 8.240 nan 0.000 0.444 225 P HA -0.055 nan 4.420 nan 0.000 0.216 225 P C 1.474 178.502 177.300 -0.455 0.000 1.153 225 P CA 1.061 63.860 63.100 -0.502 0.000 0.848 225 P CB 0.013 31.137 31.700 -0.960 0.000 0.787 226 K N -0.010 120.079 120.400 -0.518 0.000 2.057 226 K HA -0.205 4.122 4.320 0.012 0.000 0.207 226 K C 2.130 178.555 176.600 -0.291 0.000 1.049 226 K CA 1.494 57.492 56.287 -0.480 0.000 0.931 226 K CB -0.262 31.850 32.500 -0.646 0.000 0.714 226 K HN 0.104 nan 8.250 nan 0.000 0.440 227 Q N 0.389 120.062 119.800 -0.212 0.000 2.084 227 Q HA -0.134 4.213 4.340 0.012 0.000 0.202 227 Q C 2.236 178.307 176.000 0.120 0.000 0.978 227 Q CA 1.480 57.254 55.803 -0.048 0.000 0.844 227 Q CB -0.090 28.668 28.738 0.034 0.000 0.898 227 Q HN 0.339 nan 8.270 nan 0.000 0.426 228 L N -0.046 121.211 121.223 0.057 0.000 2.131 228 L HA -0.200 4.147 4.340 0.012 0.000 0.210 228 L C 2.434 179.409 176.870 0.175 0.000 1.092 228 L CA 0.955 55.903 54.840 0.179 0.000 0.759 228 L CB -0.309 41.744 42.059 -0.010 0.000 0.903 228 L HN 0.340 nan 8.230 nan 0.000 0.435 229 M N -0.659 118.967 119.600 0.043 0.000 2.117 229 M HA -0.212 4.275 4.480 0.012 0.000 0.262 229 M C 2.261 178.596 176.300 0.059 0.000 1.065 229 M CA 1.830 57.174 55.300 0.075 0.000 1.114 229 M CB -0.319 32.288 32.600 0.011 0.000 1.361 229 M HN 0.207 nan 8.290 nan 0.000 0.408 230 I N -1.291 119.211 120.570 -0.114 0.000 2.252 230 I HA -0.282 3.895 4.170 0.012 0.000 0.245 230 I C 2.149 178.333 176.117 0.111 0.000 1.102 230 I CA 1.374 62.631 61.300 -0.071 0.000 1.385 230 I CB -0.558 37.412 38.000 -0.049 0.000 1.064 230 I HN 0.150 nan 8.210 nan 0.000 0.414 231 Y N 1.086 121.504 120.300 0.196 0.000 2.114 231 Y HA -0.314 4.243 4.550 0.012 0.000 0.282 231 Y C 2.700 178.693 175.900 0.156 0.000 1.165 231 Y CA 2.014 60.279 58.100 0.274 0.000 1.148 231 Y CB -0.484 38.149 38.460 0.288 0.000 0.972 231 Y HN 0.216 nan 8.280 nan 0.000 0.504 232 E N -0.178 120.203 120.200 0.301 0.000 2.077 232 E HA -0.214 4.143 4.350 0.012 0.000 0.193 232 E C 2.320 178.981 176.600 0.101 0.000 0.989 232 E CA 0.962 57.481 56.400 0.197 0.000 0.800 232 E CB -0.227 29.587 29.700 0.190 0.000 0.746 232 E HN 0.420 nan 8.360 nan 0.000 0.452 233 A N -0.028 122.841 122.820 0.082 0.000 2.019 233 A HA -0.138 4.189 4.320 0.012 0.000 0.219 233 A C 1.638 179.067 177.584 -0.259 0.000 1.164 233 A CA 1.005 53.001 52.037 -0.069 0.000 0.644 233 A CB -0.556 18.445 19.000 0.002 0.000 0.805 233 A HN 0.339 nan 8.150 nan 0.000 0.449 234 F N -0.848 118.888 119.950 -0.356 0.000 2.789 234 F HA 0.320 4.854 4.527 0.012 0.000 0.300 234 F C 1.850 177.341 175.800 -0.516 0.000 1.132 234 F CA 0.438 57.997 58.000 -0.735 0.000 1.404 234 F CB -0.054 37.719 39.000 -2.045 0.000 1.114 234 F HN 0.353 nan 8.300 nan 0.000 0.584 235 G N -0.695 108.082 108.800 -0.039 0.000 2.160 235 G HA2 -0.264 3.703 3.960 0.012 0.000 0.244 235 G HA3 -0.264 3.703 3.960 0.012 0.000 0.244 235 G C -0.202 174.870 174.900 0.286 0.000 1.022 235 G CA -0.349 44.819 45.100 0.112 0.000 0.741 235 G HN 0.139 nan 8.290 nan 0.000 0.508 236 W N 0.372 121.776 121.300 0.173 0.000 2.449 236 W HA 0.627 5.294 4.660 0.012 0.000 0.331 236 W C 0.533 177.146 176.519 0.156 0.000 1.119 236 W CA -1.943 55.474 57.345 0.120 0.000 1.240 236 W CB 0.720 30.171 29.460 -0.016 0.000 1.251 236 W HN 0.293 nan 8.180 nan 0.000 0.576 237 E N 1.722 122.121 120.200 0.331 0.000 2.223 237 E HA 0.457 4.814 4.350 0.012 0.000 0.282 237 E C -0.174 176.412 176.600 -0.022 0.000 1.046 237 E CA -0.271 56.214 56.400 0.141 0.000 0.857 237 E CB 0.837 30.588 29.700 0.085 0.000 1.055 237 E HN 0.432 nan 8.360 nan 0.000 0.409 238 A N 6.032 128.727 122.820 -0.208 0.000 2.386 238 A HA 0.365 4.692 4.320 0.012 0.000 0.248 238 A C -2.044 175.268 177.584 -0.454 0.000 1.082 238 A CA -1.123 50.504 52.037 -0.684 0.000 0.789 238 A CB 0.081 18.774 19.000 -0.511 0.000 1.025 238 A HN 0.637 nan 8.150 nan 0.000 0.490 239 P HA 0.274 nan 4.420 nan 0.000 0.279 239 P C -0.477 176.456 177.300 -0.612 0.000 1.282 239 P CA -0.378 62.382 63.100 -0.565 0.000 0.788 239 P CB 0.474 31.811 31.700 -0.605 0.000 1.139 240 V N 0.642 120.227 119.914 -0.549 0.000 2.614 240 V HA 0.118 4.245 4.120 0.012 0.000 0.291 240 V C 0.259 176.163 176.094 -0.317 0.000 1.049 240 V CA 0.379 62.497 62.300 -0.304 0.000 1.038 240 V CB -0.705 30.948 31.823 -0.283 0.000 0.980 240 V HN 0.314 nan 8.190 nan 0.000 0.481 241 F N 4.519 124.541 119.950 0.119 0.000 2.492 241 F HA 0.717 5.251 4.527 0.012 0.000 0.327 241 F C 0.176 176.124 175.800 0.246 0.000 1.079 241 F CA -0.616 57.485 58.000 0.168 0.000 0.967 241 F CB 1.813 40.920 39.000 0.179 0.000 1.169 241 F HN 0.341 nan 8.300 nan 0.000 0.472 242 M N 3.058 122.878 119.600 0.368 0.000 2.206 242 M HA 0.404 4.891 4.480 0.012 0.000 0.272 242 M C -2.089 174.217 176.300 0.010 0.000 1.012 242 M CA -0.428 54.967 55.300 0.159 0.000 0.986 242 M CB 1.120 33.606 32.600 -0.189 0.000 1.740 242 M HN 0.670 nan 8.290 nan 0.000 0.472 243 H N 5.186 124.366 119.070 0.184 0.000 2.641 243 H HA 0.451 5.014 4.556 0.012 0.000 0.295 243 H C -0.739 174.652 175.328 0.106 0.000 1.070 243 H CA -0.090 56.062 56.048 0.172 0.000 1.257 243 H CB 0.742 30.610 29.762 0.177 0.000 1.393 243 H HN 0.597 nan 8.280 nan 0.000 0.464 244 I N 5.936 126.604 120.570 0.162 0.000 2.452 244 I HA 0.119 4.296 4.170 0.012 0.000 0.287 244 I C -1.993 174.221 176.117 0.161 0.000 1.079 244 I CA -1.839 59.547 61.300 0.144 0.000 1.387 244 I CB 0.579 38.706 38.000 0.212 0.000 1.404 244 I HN 0.368 nan 8.210 nan 0.000 0.522 245 P HA 0.034 nan 4.420 nan 0.000 0.266 245 P C -0.338 177.035 177.300 0.121 0.000 1.193 245 P CA 0.032 63.197 63.100 0.109 0.000 0.770 245 P CB 0.430 32.178 31.700 0.079 0.000 0.836 246 L N 2.237 123.522 121.223 0.103 0.000 2.472 246 L HA 0.265 4.612 4.340 0.012 0.000 0.260 246 L C 0.856 177.787 176.870 0.102 0.000 1.209 246 L CA -0.413 54.486 54.840 0.099 0.000 0.817 246 L CB -0.044 42.057 42.059 0.071 0.000 1.106 246 L HN 0.251 nan 8.230 nan 0.000 0.479 247 I N 2.145 122.786 120.570 0.118 0.000 2.342 247 I HA 0.260 4.437 4.170 0.012 0.000 0.291 247 I C -0.106 176.073 176.117 0.104 0.000 1.010 247 I CA -0.119 61.262 61.300 0.136 0.000 1.308 247 I CB 0.921 39.032 38.000 0.185 0.000 1.400 247 I HN 0.336 nan 8.210 nan 0.000 0.488 248 L N 5.081 126.343 121.223 0.066 0.000 2.286 248 L HA 0.713 5.060 4.340 0.012 0.000 0.265 248 L C 0.705 177.498 176.870 -0.128 0.000 1.012 248 L CA -0.812 54.021 54.840 -0.012 0.000 0.818 248 L CB 1.390 43.448 42.059 -0.002 0.000 1.337 248 L HN 0.564 nan 8.230 nan 0.000 0.438 249 G N -0.717 107.826 108.800 -0.428 0.000 2.543 249 G HA2 0.272 4.239 3.960 0.012 0.000 0.290 249 G HA3 0.272 4.239 3.960 0.012 0.000 0.290 249 G C 0.902 175.646 174.900 -0.260 0.000 1.310 249 G CA 0.237 44.843 45.100 -0.823 0.000 1.025 249 G HN 0.741 nan 8.290 nan 0.000 0.502 250 S N -0.769 114.889 115.700 -0.071 0.000 2.419 250 S HA -0.163 4.315 4.470 0.012 0.000 0.233 250 S C 1.460 176.095 174.600 0.058 0.000 1.016 250 S CA 1.797 60.021 58.200 0.039 0.000 0.974 250 S CB -0.248 63.012 63.200 0.100 0.000 0.786 250 S HN 0.627 nan 8.310 nan 0.000 0.492 251 D N 0.653 121.113 120.400 0.101 0.000 2.324 251 D HA 0.063 4.710 4.640 0.012 0.000 0.235 251 D C 0.731 177.080 176.300 0.082 0.000 1.095 251 D CA -0.129 53.937 54.000 0.110 0.000 0.871 251 D CB -0.742 40.156 40.800 0.163 0.000 0.906 251 D HN 0.501 nan 8.370 nan 0.000 0.522 252 R N -1.162 119.364 120.500 0.043 0.000 3.951 252 R HA -0.138 4.209 4.340 0.012 0.000 0.352 252 R C -0.224 176.105 176.300 0.049 0.000 1.178 252 R CA 1.210 57.330 56.100 0.033 0.000 0.949 252 R CB -2.933 27.389 30.300 0.038 0.000 1.452 252 R HN 0.564 nan 8.270 nan 0.000 0.540 253 T N -2.173 112.430 114.554 0.082 0.000 2.943 253 T HA 0.564 4.921 4.350 0.012 0.000 0.284 253 T C -2.548 172.219 174.700 0.112 0.000 1.015 253 T CA -2.187 59.983 62.100 0.117 0.000 1.042 253 T CB 2.187 71.165 68.868 0.182 0.000 1.055 253 T HN -0.255 nan 8.240 nan 0.000 0.500 254 P HA 0.085 nan 4.420 nan 0.000 0.262 254 P C -0.125 177.285 177.300 0.185 0.000 1.182 254 P CA -0.465 62.694 63.100 0.099 0.000 0.761 254 P CB 0.129 31.862 31.700 0.055 0.000 0.795 255 L N 4.145 125.456 121.223 0.146 0.000 2.667 255 L HA -0.009 4.338 4.340 0.012 0.000 0.278 255 L C 0.016 177.155 176.870 0.448 0.000 1.217 255 L CA 1.667 56.644 54.840 0.228 0.000 0.935 255 L CB -0.616 41.524 42.059 0.136 0.000 1.193 255 L HN 0.353 nan 8.230 nan 0.000 0.493 256 S N 3.651 119.725 115.700 0.624 0.000 2.704 256 S HA 0.333 4.810 4.470 0.012 0.000 0.296 256 S C 0.630 175.319 174.600 0.147 0.000 1.138 256 S CA -0.772 57.598 58.200 0.283 0.000 0.875 256 S CB 1.706 64.979 63.200 0.122 0.000 1.151 256 S HN 0.662 nan 8.310 nan 0.000 0.500 257 K N 1.378 121.802 120.400 0.040 0.000 2.127 257 K HA -0.204 4.124 4.320 0.012 0.000 0.208 257 K C 2.094 178.659 176.600 -0.058 0.000 1.047 257 K CA 1.751 58.021 56.287 -0.027 0.000 0.927 257 K CB -0.165 32.307 32.500 -0.047 0.000 0.716 257 K HN 0.602 nan 8.250 nan 0.000 0.450 258 R N -1.032 119.399 120.500 -0.116 0.000 2.237 258 R HA -0.127 4.220 4.340 0.012 0.000 0.219 258 R C 1.203 177.412 176.300 -0.151 0.000 1.080 258 R CA 1.721 57.723 56.100 -0.163 0.000 0.995 258 R CB -0.514 29.653 30.300 -0.223 0.000 0.875 258 R HN 0.458 nan 8.270 nan 0.000 0.462 259 H N -0.055 119.065 119.070 0.084 0.000 2.482 259 H HA 0.266 4.829 4.556 0.012 0.000 0.286 259 H C 1.061 176.490 175.328 0.169 0.000 1.017 259 H CA 0.622 56.773 56.048 0.171 0.000 1.322 259 H CB 0.707 30.612 29.762 0.238 0.000 1.426 259 H HN 0.548 nan 8.280 nan 0.000 0.546 260 G N -0.421 108.458 108.800 0.132 0.000 2.291 260 G HA2 0.241 4.208 3.960 0.012 0.000 0.249 260 G HA3 0.241 4.208 3.960 0.012 0.000 0.249 260 G C -1.157 173.634 174.900 -0.181 0.000 1.340 260 G CA -0.611 44.385 45.100 -0.174 0.000 1.017 260 G HN 0.398 nan 8.290 nan 0.000 0.470 261 A N -0.606 121.952 122.820 -0.436 0.000 2.483 261 A HA 0.602 4.929 4.320 0.012 0.000 0.238 261 A C 1.409 178.887 177.584 -0.178 0.000 1.070 261 A CA 1.937 53.613 52.037 -0.602 0.000 0.770 261 A CB 0.130 18.340 19.000 -1.316 0.000 1.008 261 A HN 2.325 nan 8.150 nan 0.000 0.497 262 T N -2.302 112.097 114.554 -0.257 0.000 3.029 262 T HA 0.206 4.563 4.350 0.012 0.000 0.256 262 T C 0.663 175.236 174.700 -0.212 0.000 0.914 262 T CA 0.627 62.570 62.100 -0.262 0.000 0.880 262 T CB -0.777 67.878 68.868 -0.355 0.000 1.246 262 T HN 1.309 nan 8.240 nan 0.000 0.523 263 S N 1.174 116.821 115.700 -0.089 0.000 2.586 263 S HA 0.547 5.024 4.470 0.012 0.000 0.274 263 S C 1.350 176.068 174.600 0.196 0.000 1.281 263 S CA -0.505 57.738 58.200 0.072 0.000 1.035 263 S CB 1.506 64.797 63.200 0.152 0.000 0.962 263 S HN 0.041 nan 8.310 nan 0.000 0.512 264 V N 2.301 122.356 119.914 0.233 0.000 2.332 264 V HA -0.186 3.941 4.120 0.012 0.000 0.248 264 V C 2.819 178.971 176.094 0.096 0.000 1.055 264 V CA 2.542 65.012 62.300 0.283 0.000 1.038 264 V CB -1.268 30.687 31.823 0.220 0.000 0.651 264 V HN 1.088 nan 8.190 nan 0.000 0.450 265 E N 0.094 120.295 120.200 0.002 0.000 2.171 265 E HA -0.325 4.032 4.350 0.012 0.000 0.197 265 E C 2.018 178.582 176.600 -0.060 0.000 0.997 265 E CA 2.195 58.536 56.400 -0.099 0.000 0.810 265 E CB -0.414 29.259 29.700 -0.046 0.000 0.738 265 E HN 0.829 nan 8.360 nan 0.000 0.467 266 H N -1.248 117.760 119.070 -0.103 0.000 2.326 266 H HA -0.074 4.489 4.556 0.012 0.000 0.301 266 H C 1.412 176.613 175.328 -0.212 0.000 1.081 266 H CA 2.153 58.077 56.048 -0.207 0.000 1.334 266 H CB -0.284 29.240 29.762 -0.397 0.000 1.385 266 H HN 0.230 nan 8.280 nan 0.000 0.504 267 F N 0.561 120.590 119.950 0.131 0.000 2.171 267 F HA -0.056 4.478 4.527 0.012 0.000 0.300 267 F C 2.880 178.692 175.800 0.019 0.000 1.090 267 F CA 1.388 59.471 58.000 0.137 0.000 1.293 267 F CB -0.476 38.678 39.000 0.256 0.000 1.013 267 F HN 0.148 nan 8.300 nan 0.000 0.486 268 R N 0.536 121.009 120.500 -0.046 0.000 2.081 268 R HA -0.204 4.143 4.340 0.012 0.000 0.235 268 R C 2.406 178.719 176.300 0.021 0.000 1.131 268 R CA 1.559 57.449 56.100 -0.350 0.000 0.960 268 R CB -0.197 29.359 30.300 -1.239 0.000 0.856 268 R HN 0.057 nan 8.270 nan 0.000 0.436 269 R N 0.917 121.416 120.500 -0.002 0.000 2.092 269 R HA -0.072 4.275 4.340 0.012 0.000 0.231 269 R C 1.611 178.099 176.300 0.314 0.000 1.119 269 R CA 1.616 57.806 56.100 0.150 0.000 0.970 269 R CB -0.172 30.109 30.300 -0.031 0.000 0.864 269 R HN 0.240 nan 8.270 nan 0.000 0.440 270 E N -0.648 119.585 120.200 0.055 0.000 2.418 270 E HA 0.059 4.417 4.350 0.012 0.000 0.197 270 E C 0.697 177.341 176.600 0.073 0.000 1.026 270 E CA 0.979 57.412 56.400 0.055 0.000 0.862 270 E CB 0.129 29.799 29.700 -0.050 0.000 0.799 270 E HN 0.566 nan 8.360 nan 0.000 0.518 271 G N 0.964 109.829 108.800 0.107 0.000 2.135 271 G HA2 -0.188 3.779 3.960 0.012 0.000 0.183 271 G HA3 -0.188 3.779 3.960 0.012 0.000 0.183 271 G C 0.089 174.981 174.900 -0.012 0.000 1.004 271 G CA -0.261 44.706 45.100 -0.221 0.000 0.677 271 G HN 0.100 nan 8.290 nan 0.000 0.512 272 I N 1.076 121.750 120.570 0.174 0.000 2.441 272 I HA 0.364 4.541 4.170 0.012 0.000 0.287 272 I C 0.985 177.266 176.117 0.274 0.000 1.049 272 I CA -1.064 60.358 61.300 0.204 0.000 1.381 272 I CB 0.834 39.015 38.000 0.302 0.000 1.409 272 I HN -0.042 nan 8.210 nan 0.000 0.523 273 L N 4.881 126.167 121.223 0.105 0.000 2.426 273 L HA 0.079 4.426 4.340 0.012 0.000 0.271 273 L C 1.760 178.544 176.870 -0.144 0.000 1.169 273 L CA 0.701 55.556 54.840 0.025 0.000 0.836 273 L CB 0.686 42.689 42.059 -0.093 0.000 1.112 273 L HN 0.750 nan 8.230 nan 0.000 0.465 274 S N 3.305 118.707 115.700 -0.497 0.000 2.359 274 S HA -0.229 4.249 4.470 0.012 0.000 0.223 274 S C 2.070 176.343 174.600 -0.545 0.000 1.039 274 S CA 1.889 59.495 58.200 -0.991 0.000 1.042 274 S CB -0.169 62.139 63.200 -1.486 0.000 0.915 274 S HN 0.769 nan 8.310 nan 0.000 0.439 275 R N 0.968 121.188 120.500 -0.468 0.000 2.127 275 R HA 0.004 4.351 4.340 0.012 0.000 0.238 275 R C 2.257 178.233 176.300 -0.539 0.000 1.134 275 R CA 1.501 57.349 56.100 -0.421 0.000 0.975 275 R CB -0.810 29.280 30.300 -0.350 0.000 0.865 275 R HN 0.436 nan 8.270 nan 0.000 0.447 276 A N 1.704 124.163 122.820 -0.602 0.000 1.898 276 A HA -0.033 4.294 4.320 0.012 0.000 0.214 276 A C 2.152 179.600 177.584 -0.226 0.000 1.183 276 A CA 0.825 52.522 52.037 -0.568 0.000 0.622 276 A CB -0.380 18.396 19.000 -0.373 0.000 0.824 276 A HN 0.316 nan 8.150 nan 0.000 0.444 277 L N -0.693 120.444 121.223 -0.144 0.000 2.017 277 L HA -0.159 4.188 4.340 0.012 0.000 0.208 277 L C 2.247 179.099 176.870 -0.031 0.000 1.073 277 L CA 2.092 56.915 54.840 -0.028 0.000 0.745 277 L CB -0.494 41.610 42.059 0.075 0.000 0.894 277 L HN 0.281 nan 8.230 nan 0.000 0.432 278 M N -0.434 119.093 119.600 -0.121 0.000 2.159 278 M HA -0.149 4.338 4.480 0.012 0.000 0.263 278 M C 2.141 178.409 176.300 -0.053 0.000 1.063 278 M CA 1.350 56.583 55.300 -0.112 0.000 1.110 278 M CB -1.994 30.495 32.600 -0.184 0.000 1.374 278 M HN 0.456 nan 8.290 nan 0.000 0.411 279 N N 0.513 119.143 118.700 -0.117 0.000 2.069 279 N HA -0.230 4.517 4.740 0.012 0.000 0.191 279 N C 1.753 177.178 175.510 -0.141 0.000 1.031 279 N CA 1.555 54.464 53.050 -0.236 0.000 0.852 279 N CB -0.516 37.770 38.487 -0.334 0.000 1.018 279 N HN 0.348 nan 8.380 nan 0.000 0.423 280 Y N 1.143 121.339 120.300 -0.173 0.000 2.181 280 Y HA -0.019 4.538 4.550 0.012 0.000 0.288 280 Y C 2.228 178.105 175.900 -0.039 0.000 1.146 280 Y CA 1.414 59.439 58.100 -0.125 0.000 1.164 280 Y CB -0.465 37.882 38.460 -0.188 0.000 0.982 280 Y HN 0.094 nan 8.280 nan 0.000 0.515 281 L N -0.644 120.526 121.223 -0.088 0.000 2.131 281 L HA -0.225 4.122 4.340 0.012 0.000 0.210 281 L C 2.662 179.506 176.870 -0.044 0.000 1.092 281 L CA 1.186 55.955 54.840 -0.119 0.000 0.759 281 L CB -0.931 41.079 42.059 -0.081 0.000 0.903 281 L HN 0.318 nan 8.230 nan 0.000 0.435 282 A N -0.230 122.656 122.820 0.111 0.000 1.930 282 A HA -0.140 4.187 4.320 0.012 0.000 0.215 282 A C 2.162 180.080 177.584 0.556 0.000 1.176 282 A CA 0.942 53.225 52.037 0.410 0.000 0.632 282 A CB -0.471 18.890 19.000 0.601 0.000 0.819 282 A HN 0.297 nan 8.150 nan 0.000 0.445 283 L N 0.030 121.491 121.223 0.397 0.000 2.131 283 L HA 0.085 4.432 4.340 0.012 0.000 0.210 283 L C 0.743 177.712 176.870 0.164 0.000 1.092 283 L CA 0.857 55.909 54.840 0.353 0.000 0.759 283 L CB -0.660 41.464 42.059 0.108 0.000 0.903 283 L HN 0.355 nan 8.230 nan 0.000 0.435 284 L N 1.005 122.177 121.223 -0.085 0.000 2.700 284 L HA 0.065 4.412 4.340 0.012 0.000 0.276 284 L C 1.506 178.425 176.870 0.083 0.000 1.200 284 L CA 0.741 55.509 54.840 -0.119 0.000 0.951 284 L CB -0.712 41.220 42.059 -0.212 0.000 1.226 284 L HN 0.582 nan 8.230 nan 0.000 0.489 285 G N 2.587 111.435 108.800 0.080 0.000 2.168 285 G HA2 -0.305 3.662 3.960 0.012 0.000 0.263 285 G HA3 -0.305 3.662 3.960 0.012 0.000 0.263 285 G C -0.421 174.609 174.900 0.217 0.000 0.977 285 G CA 0.012 45.182 45.100 0.116 0.000 0.659 285 G HN 0.668 nan 8.290 nan 0.000 0.533 286 W N 2.349 123.668 121.300 0.033 0.000 2.294 286 W HA 0.744 5.411 4.660 0.012 0.000 0.314 286 W C 0.189 176.737 176.519 0.049 0.000 1.044 286 W CA -2.420 54.951 57.345 0.043 0.000 1.284 286 W CB 0.589 30.102 29.460 0.088 0.000 1.231 286 W HN -0.061 nan 8.180 nan 0.000 0.419 287 R N 5.390 125.982 120.500 0.153 0.000 4.154 287 R HA 0.072 4.419 4.340 0.012 0.000 0.186 287 R C 0.104 176.208 176.300 -0.325 0.000 1.750 287 R CA -0.325 55.743 56.100 -0.053 0.000 1.431 287 R CB -0.645 29.664 30.300 0.015 0.000 1.383 287 R HN 0.361 nan 8.270 nan 0.000 0.788 288 V N 1.730 121.193 119.914 -0.751 0.000 2.814 288 V HA -0.119 4.008 4.120 0.012 0.000 0.307 288 V C 0.480 176.273 176.094 -0.501 0.000 1.089 288 V CA 0.405 62.013 62.300 -1.153 0.000 1.212 288 V CB 0.409 31.507 31.823 -1.209 0.000 0.912 288 V HN 0.541 nan 8.190 nan 0.000 0.497 289 E N 5.149 125.111 120.200 -0.397 0.000 2.089 289 E HA 0.571 4.928 4.350 0.012 0.000 0.284 289 E C 0.438 176.933 176.600 -0.176 0.000 1.023 289 E CA 0.593 56.876 56.400 -0.196 0.000 0.819 289 E CB 1.064 30.697 29.700 -0.112 0.000 1.076 289 E HN 1.173 nan 8.360 nan 0.000 0.396 290 G N 3.531 112.260 108.800 -0.118 0.000 2.384 290 G HA2 -0.207 3.760 3.960 0.012 0.000 0.204 290 G HA3 -0.207 3.760 3.960 0.012 0.000 0.204 290 G C -0.963 173.912 174.900 -0.041 0.000 1.237 290 G CA -0.878 44.178 45.100 -0.074 0.000 1.060 290 G HN 0.558 nan 8.290 nan 0.000 0.514 291 D N 0.598 121.000 120.400 0.003 0.000 2.458 291 D HA 0.261 4.908 4.640 0.012 0.000 0.243 291 D C 1.582 177.967 176.300 0.141 0.000 1.146 291 D CA 0.194 54.227 54.000 0.054 0.000 0.877 291 D CB 0.906 41.735 40.800 0.048 0.000 1.176 291 D HN 0.457 nan 8.370 nan 0.000 0.461 292 E N 2.235 122.511 120.200 0.127 0.000 2.285 292 E HA -0.032 4.325 4.350 0.012 0.000 0.194 292 E C 0.269 176.889 176.600 0.033 0.000 0.997 292 E CA 0.301 56.796 56.400 0.157 0.000 0.845 292 E CB 0.320 30.124 29.700 0.175 0.000 0.782 292 E HN 0.444 nan 8.360 nan 0.000 0.491 293 I N 2.288 122.849 120.570 -0.014 0.000 2.301 293 I HA 0.184 4.361 4.170 0.012 0.000 0.292 293 I C -0.228 175.868 176.117 -0.034 0.000 1.046 293 I CA -0.034 61.147 61.300 -0.198 0.000 1.282 293 I CB -0.804 36.988 38.000 -0.347 0.000 1.409 293 I HN -0.115 nan 8.210 nan 0.000 0.484 294 F N 2.739 122.729 119.950 0.067 0.000 2.741 294 F HA 0.719 5.253 4.527 0.012 0.000 0.313 294 F C -0.359 175.553 175.800 0.186 0.000 1.153 294 F CA -1.233 56.825 58.000 0.096 0.000 0.931 294 F CB 1.035 40.078 39.000 0.070 0.000 1.335 294 F HN 0.316 nan 8.300 nan 0.000 0.460 295 T N -0.501 114.345 114.554 0.488 0.000 2.945 295 T HA 0.468 4.825 4.350 0.012 0.000 0.286 295 T C 0.805 175.742 174.700 0.395 0.000 1.025 295 T CA -0.750 61.540 62.100 0.316 0.000 1.039 295 T CB 1.398 70.363 68.868 0.161 0.000 1.068 295 T HN 0.609 nan 8.240 nan 0.000 0.497 296 I N 0.783 121.504 120.570 0.251 0.000 2.226 296 I HA -0.111 4.066 4.170 0.012 0.000 0.245 296 I C 2.548 178.783 176.117 0.198 0.000 1.100 296 I CA 1.486 62.925 61.300 0.232 0.000 1.374 296 I CB -1.238 36.811 38.000 0.082 0.000 1.057 296 I HN 0.955 nan 8.210 nan 0.000 0.413 297 E N 1.455 121.744 120.200 0.149 0.000 2.049 297 E HA -0.284 4.073 4.350 0.012 0.000 0.198 297 E C 1.958 178.630 176.600 0.121 0.000 1.007 297 E CA 2.109 58.592 56.400 0.139 0.000 0.809 297 E CB -0.024 29.732 29.700 0.093 0.000 0.749 297 E HN 0.709 nan 8.360 nan 0.000 0.450 298 E N -0.544 119.729 120.200 0.121 0.000 2.347 298 E HA -0.122 4.235 4.350 0.012 0.000 0.196 298 E C 1.608 178.254 176.600 0.076 0.000 1.008 298 E CA 0.581 57.035 56.400 0.091 0.000 0.852 298 E CB 0.122 29.877 29.700 0.091 0.000 0.783 298 E HN 0.011 nan 8.360 nan 0.000 0.505 299 K N 0.339 120.797 120.400 0.096 0.000 2.367 299 K HA 0.098 4.425 4.320 0.012 0.000 0.194 299 K C 1.742 178.429 176.600 0.146 0.000 1.027 299 K CA -0.050 56.289 56.287 0.086 0.000 1.075 299 K CB 0.140 32.663 32.500 0.037 0.000 0.845 299 K HN 0.156 nan 8.250 nan 0.000 0.529 300 L N 1.871 123.174 121.223 0.132 0.000 2.042 300 L HA -0.203 4.144 4.340 0.012 0.000 0.210 300 L C 1.918 178.846 176.870 0.097 0.000 1.076 300 L CA 1.886 56.792 54.840 0.111 0.000 0.749 300 L CB -0.254 41.854 42.059 0.082 0.000 0.893 300 L HN 0.091 nan 8.230 nan 0.000 0.432 301 Q N -0.715 119.126 119.800 0.068 0.000 2.224 301 Q HA -0.031 4.316 4.340 0.012 0.000 0.203 301 Q C 2.014 178.048 176.000 0.055 0.000 0.970 301 Q CA 1.399 57.227 55.803 0.042 0.000 0.865 301 Q CB -0.514 28.237 28.738 0.021 0.000 0.922 301 Q HN 0.752 nan 8.270 nan 0.000 0.445 302 S N -0.703 115.046 115.700 0.081 0.000 2.572 302 S HA 0.153 4.630 4.470 0.012 0.000 0.228 302 S C 0.229 174.870 174.600 0.068 0.000 0.963 302 S CA -0.728 57.510 58.200 0.062 0.000 0.939 302 S CB -0.468 62.769 63.200 0.061 0.000 0.804 302 S HN 0.188 nan 8.310 nan 0.000 0.480 303 F N 3.754 123.688 119.950 -0.026 0.000 2.602 303 F HA 0.332 4.866 4.527 0.012 0.000 0.385 303 F C 0.070 175.833 175.800 -0.062 0.000 1.063 303 F CA -0.154 57.809 58.000 -0.061 0.000 1.233 303 F CB 0.331 39.318 39.000 -0.021 0.000 1.067 303 F HN 0.130 nan 8.300 nan 0.000 0.564 304 D N 8.398 128.140 120.400 -1.097 0.000 2.602 304 D HA 0.282 4.929 4.640 0.012 0.000 0.245 304 D C -2.150 173.479 176.300 -1.119 0.000 1.325 304 D CA -1.992 51.498 54.000 -0.850 0.000 0.952 304 D CB 2.244 42.794 40.800 -0.416 0.000 1.317 304 D HN 0.173 nan 8.370 nan 0.000 0.577 305 P HA -0.171 nan 4.420 nan 0.000 0.218 305 P C 0.830 177.754 177.300 -0.627 0.000 1.150 305 P CA 1.312 63.919 63.100 -0.822 0.000 0.841 305 P CB 0.317 31.628 31.700 -0.649 0.000 0.784 306 K N -1.125 118.996 120.400 -0.464 0.000 2.486 306 K HA -0.052 4.275 4.320 0.012 0.000 0.194 306 K C 0.968 177.370 176.600 -0.330 0.000 1.033 306 K CA 0.711 56.802 56.287 -0.327 0.000 1.004 306 K CB -0.325 32.049 32.500 -0.210 0.000 0.798 306 K HN 0.200 nan 8.250 nan 0.000 0.495 307 D N 1.117 121.239 120.400 -0.464 0.000 2.312 307 D HA 0.003 4.650 4.640 0.012 0.000 0.211 307 D C 0.683 176.679 176.300 -0.507 0.000 0.964 307 D CA 0.527 54.252 54.000 -0.459 0.000 0.877 307 D CB 0.047 40.425 40.800 -0.704 0.000 0.924 307 D HN 0.160 nan 8.370 nan 0.000 0.515 308 I N 0.968 121.202 120.570 -0.560 0.000 2.648 308 I HA -0.084 4.093 4.170 0.012 0.000 0.284 308 I C 1.027 177.000 176.117 -0.240 0.000 1.153 308 I CA -0.033 60.981 61.300 -0.477 0.000 1.426 308 I CB 0.771 38.395 38.000 -0.626 0.000 1.381 308 I HN -0.184 nan 8.210 nan 0.000 0.571 309 S N 4.420 120.048 115.700 -0.119 0.000 2.549 309 S HA 0.011 4.488 4.470 0.012 0.000 0.283 309 S C 0.944 175.522 174.600 -0.036 0.000 1.320 309 S CA -0.627 57.550 58.200 -0.039 0.000 1.058 309 S CB 0.266 63.479 63.200 0.022 0.000 0.882 309 S HN 0.724 nan 8.310 nan 0.000 0.498 310 N N 3.378 122.063 118.700 -0.025 0.000 2.314 310 N HA 0.133 4.880 4.740 0.012 0.000 0.200 310 N C -0.560 174.957 175.510 0.012 0.000 1.135 310 N CA -0.053 52.990 53.050 -0.012 0.000 0.835 310 N CB -0.035 38.442 38.487 -0.017 0.000 0.989 310 N HN 0.483 nan 8.380 nan 0.000 0.478 311 K N -0.767 119.645 120.400 0.020 0.000 2.385 311 K HA 0.588 4.915 4.320 0.012 0.000 0.248 311 K C 0.261 176.886 176.600 0.042 0.000 0.955 311 K CA -1.155 55.149 56.287 0.029 0.000 0.816 311 K CB 1.804 34.319 32.500 0.025 0.000 1.250 311 K HN 0.065 nan 8.250 nan 0.000 0.434 312 G N 0.366 109.193 108.800 0.045 0.000 2.630 312 G HA2 0.312 4.279 3.960 0.012 0.000 0.236 312 G HA3 0.312 4.279 3.960 0.012 0.000 0.236 312 G C -0.203 174.728 174.900 0.052 0.000 1.248 312 G CA -0.418 44.714 45.100 0.054 0.000 0.844 312 G HN 0.365 nan 8.290 nan 0.000 0.588 313 V N -0.408 119.542 119.914 0.061 0.000 2.680 313 V HA 0.665 4.792 4.120 0.012 0.000 0.309 313 V C -0.010 176.117 176.094 0.055 0.000 1.052 313 V CA -1.281 61.049 62.300 0.051 0.000 0.908 313 V CB 1.777 33.630 31.823 0.049 0.000 1.001 313 V HN 0.602 nan 8.190 nan 0.000 0.431 314 I N 4.152 124.746 120.570 0.039 0.000 2.325 314 I HA 0.328 4.505 4.170 0.012 0.000 0.291 314 I C -0.297 175.863 176.117 0.072 0.000 1.019 314 I CA -0.263 61.064 61.300 0.044 0.000 1.302 314 I CB 1.239 39.253 38.000 0.023 0.000 1.401 314 I HN 0.667 nan 8.210 nan 0.000 0.485 315 F N 6.276 126.181 119.950 -0.075 0.000 2.504 315 F HA 0.088 4.622 4.527 0.012 0.000 0.369 315 F C 0.498 176.195 175.800 -0.172 0.000 1.082 315 F CA 0.182 58.129 58.000 -0.088 0.000 1.216 315 F CB 0.357 39.234 39.000 -0.206 0.000 1.108 315 F HN 0.405 nan 8.300 nan 0.000 0.554 316 D N 5.757 125.978 120.400 -0.299 0.000 2.461 316 D HA 0.065 4.712 4.640 0.012 0.000 0.240 316 D C 0.454 176.525 176.300 -0.381 0.000 1.094 316 D CA -0.274 53.597 54.000 -0.214 0.000 0.868 316 D CB 0.445 41.204 40.800 -0.069 0.000 1.062 316 D HN 0.492 nan 8.370 nan 0.000 0.530 317 Y N 2.249 122.559 120.300 0.016 0.000 2.207 317 Y HA -0.254 4.303 4.550 0.012 0.000 0.287 317 Y C 2.272 178.149 175.900 -0.037 0.000 1.156 317 Y CA 1.231 59.368 58.100 0.062 0.000 1.182 317 Y CB -0.198 38.406 38.460 0.239 0.000 0.979 317 Y HN 0.419 nan 8.280 nan 0.000 0.521 318 Q N 0.129 120.002 119.800 0.123 0.000 2.050 318 Q HA -0.173 4.174 4.340 0.012 0.000 0.202 318 Q C 2.220 178.216 176.000 -0.006 0.000 0.980 318 Q CA 1.702 57.546 55.803 0.068 0.000 0.840 318 Q CB -0.316 28.456 28.738 0.056 0.000 0.898 318 Q HN 0.221 nan 8.270 nan 0.000 0.424 319 K N 0.528 120.863 120.400 -0.109 0.000 2.097 319 K HA -0.141 4.186 4.320 0.012 0.000 0.206 319 K C 1.713 178.165 176.600 -0.246 0.000 1.049 319 K CA 0.833 57.048 56.287 -0.121 0.000 0.933 319 K CB -0.530 31.903 32.500 -0.112 0.000 0.717 319 K HN 0.215 nan 8.250 nan 0.000 0.442 320 L N 1.335 122.157 121.223 -0.668 0.000 2.042 320 L HA -0.128 4.219 4.340 0.012 0.000 0.210 320 L C 2.081 178.816 176.870 -0.226 0.000 1.076 320 L CA 2.127 56.503 54.840 -0.773 0.000 0.749 320 L CB -0.785 40.763 42.059 -0.850 0.000 0.893 320 L HN 0.425 nan 8.230 nan 0.000 0.432 321 E N -1.661 118.502 120.200 -0.062 0.000 2.110 321 E HA -0.290 4.067 4.350 0.012 0.000 0.193 321 E C 1.949 178.585 176.600 0.060 0.000 0.988 321 E CA 1.381 57.802 56.400 0.036 0.000 0.804 321 E CB -0.447 29.306 29.700 0.088 0.000 0.745 321 E HN 0.650 nan 8.360 nan 0.000 0.458 322 W N 0.111 121.355 121.300 -0.093 0.000 2.358 322 W HA -0.190 4.477 4.660 0.012 0.000 0.303 322 W C 1.839 178.318 176.519 -0.068 0.000 1.208 322 W CA 1.353 58.655 57.345 -0.071 0.000 1.274 322 W CB -0.386 29.031 29.460 -0.072 0.000 1.138 322 W HN -0.107 nan 8.180 nan 0.000 0.515 323 V N 1.266 121.198 119.914 0.031 0.000 2.343 323 V HA -0.355 3.772 4.120 0.012 0.000 0.247 323 V C 2.145 178.179 176.094 -0.100 0.000 1.051 323 V CA 2.374 64.601 62.300 -0.121 0.000 1.036 323 V CB -1.278 30.570 31.823 0.042 0.000 0.654 323 V HN 0.312 nan 8.190 nan 0.000 0.451 324 N N 0.734 119.396 118.700 -0.064 0.000 2.120 324 N HA -0.113 4.634 4.740 0.012 0.000 0.188 324 N C 1.862 177.324 175.510 -0.080 0.000 1.024 324 N CA 1.617 54.646 53.050 -0.036 0.000 0.852 324 N CB -0.556 37.913 38.487 -0.029 0.000 1.003 324 N HN 0.402 nan 8.380 nan 0.000 0.424 325 G N 0.739 109.446 108.800 -0.155 0.000 2.440 325 G HA2 -0.241 3.726 3.960 0.012 0.000 0.218 325 G HA3 -0.241 3.726 3.960 0.012 0.000 0.218 325 G C 1.557 176.297 174.900 -0.267 0.000 1.154 325 G CA 0.675 45.661 45.100 -0.191 0.000 0.767 325 G HN 0.223 nan 8.290 nan 0.000 0.552 326 K N 0.350 120.491 120.400 -0.432 0.000 2.063 326 K HA -0.091 4.236 4.320 0.012 0.000 0.208 326 K C 2.113 178.491 176.600 -0.370 0.000 1.048 326 K CA 1.398 57.387 56.287 -0.497 0.000 0.928 326 K CB -0.717 31.334 32.500 -0.749 0.000 0.713 326 K HN 0.477 nan 8.250 nan 0.000 0.442 327 H N 0.363 119.283 119.070 -0.251 0.000 2.326 327 H HA 0.075 4.638 4.556 0.012 0.000 0.301 327 H C 2.195 177.433 175.328 -0.151 0.000 1.081 327 H CA 1.774 57.715 56.048 -0.179 0.000 1.334 327 H CB -0.108 29.559 29.762 -0.158 0.000 1.385 327 H HN 0.056 nan 8.280 nan 0.000 0.504 328 M N -0.200 119.380 119.600 -0.033 0.000 2.149 328 M HA -0.197 4.290 4.480 0.012 0.000 0.261 328 M C 1.905 178.143 176.300 -0.103 0.000 1.064 328 M CA 1.703 56.961 55.300 -0.071 0.000 1.102 328 M CB -0.035 32.510 32.600 -0.092 0.000 1.369 328 M HN 0.195 nan 8.290 nan 0.000 0.408 329 R N -1.103 119.318 120.500 -0.131 0.000 2.210 329 R HA 0.020 4.367 4.340 0.012 0.000 0.203 329 R C 2.232 178.456 176.300 -0.127 0.000 1.010 329 R CA 0.524 56.545 56.100 -0.133 0.000 1.008 329 R CB -0.081 30.132 30.300 -0.145 0.000 0.923 329 R HN 0.342 nan 8.270 nan 0.000 0.469 330 R N 1.670 122.085 120.500 -0.142 0.000 2.100 330 R HA 0.044 4.391 4.340 0.012 0.000 0.220 330 R C 1.058 177.303 176.300 -0.092 0.000 1.091 330 R CA 0.404 56.425 56.100 -0.132 0.000 0.986 330 R CB -0.132 30.056 30.300 -0.187 0.000 0.888 330 R HN 0.118 nan 8.270 nan 0.000 0.444 331 I N 0.114 120.641 120.570 -0.072 0.000 3.246 331 I HA 0.097 4.274 4.170 0.012 0.000 0.280 331 I C -0.089 175.991 176.117 -0.060 0.000 1.239 331 I CA -0.429 60.842 61.300 -0.049 0.000 1.336 331 I CB 0.243 38.227 38.000 -0.028 0.000 1.383 331 I HN -0.003 nan 8.210 nan 0.000 0.617 332 D N 1.989 122.357 120.400 -0.052 0.000 2.443 332 D HA 0.083 4.730 4.640 0.012 0.000 0.239 332 D C 1.032 177.287 176.300 -0.075 0.000 1.136 332 D CA -0.024 53.941 54.000 -0.059 0.000 0.879 332 D CB 0.934 41.705 40.800 -0.048 0.000 1.195 332 D HN 0.612 nan 8.370 nan 0.000 0.443 333 L N 2.517 123.687 121.223 -0.088 0.000 2.043 333 L HA -0.188 4.159 4.340 0.012 0.000 0.212 333 L C 1.985 178.775 176.870 -0.133 0.000 1.075 333 L CA 1.187 55.957 54.840 -0.117 0.000 0.752 333 L CB -0.288 41.699 42.059 -0.121 0.000 0.891 333 L HN 0.585 nan 8.230 nan 0.000 0.432 334 E N -0.732 119.403 120.200 -0.109 0.000 2.208 334 E HA -0.192 4.165 4.350 0.012 0.000 0.193 334 E C 1.638 178.188 176.600 -0.084 0.000 0.988 334 E CA 0.733 57.066 56.400 -0.112 0.000 0.828 334 E CB -0.228 29.424 29.700 -0.079 0.000 0.763 334 E HN 0.436 nan 8.360 nan 0.000 0.478 335 D N 0.732 121.093 120.400 -0.064 0.000 2.097 335 D HA -0.128 4.519 4.640 0.012 0.000 0.197 335 D C 2.002 178.280 176.300 -0.036 0.000 0.984 335 D CA 0.427 54.401 54.000 -0.042 0.000 0.826 335 D CB -0.007 40.770 40.800 -0.038 0.000 0.973 335 D HN 0.123 nan 8.370 nan 0.000 0.460 336 L N 1.195 122.383 121.223 -0.058 0.000 2.046 336 L HA -0.098 4.249 4.340 0.012 0.000 0.208 336 L C 2.265 179.120 176.870 -0.026 0.000 1.077 336 L CA 1.838 56.648 54.840 -0.050 0.000 0.747 336 L CB -0.658 41.341 42.059 -0.100 0.000 0.896 336 L HN -0.063 nan 8.230 nan 0.000 0.432 337 K N -0.635 119.698 120.400 -0.112 0.000 2.032 337 K HA -0.222 4.105 4.320 0.012 0.000 0.209 337 K C 2.313 178.919 176.600 0.011 0.000 1.048 337 K CA 1.669 57.852 56.287 -0.172 0.000 0.927 337 K CB -0.120 32.125 32.500 -0.425 0.000 0.712 337 K HN 0.297 nan 8.250 nan 0.000 0.441 338 R N 0.388 120.892 120.500 0.006 0.000 2.073 338 R HA -0.097 4.250 4.340 0.012 0.000 0.234 338 R C 2.355 178.731 176.300 0.125 0.000 1.134 338 R CA 1.522 57.658 56.100 0.060 0.000 0.952 338 R CB -0.128 30.189 30.300 0.029 0.000 0.850 338 R HN 0.277 nan 8.270 nan 0.000 0.433 339 E N 0.109 120.383 120.200 0.124 0.000 2.058 339 E HA -0.227 4.130 4.350 0.012 0.000 0.194 339 E C 1.779 178.565 176.600 0.310 0.000 0.997 339 E CA 1.150 57.656 56.400 0.176 0.000 0.801 339 E CB -0.281 29.491 29.700 0.120 0.000 0.746 339 E HN 0.217 nan 8.360 nan 0.000 0.450 340 F N 1.490 121.527 119.950 0.145 0.000 2.102 340 F HA -0.154 4.379 4.527 0.011 0.000 0.298 340 F C 2.251 178.278 175.800 0.378 0.000 1.105 340 F CA 1.091 59.241 58.000 0.250 0.000 1.239 340 F CB -0.433 38.675 39.000 0.178 0.000 0.991 340 F HN -0.096 nan 8.300 nan 0.000 0.474 341 I N 0.157 120.863 120.570 0.227 0.000 2.179 341 I HA -0.303 3.874 4.170 0.012 0.000 0.242 341 I C 2.326 178.508 176.117 0.108 0.000 1.088 341 I CA 1.808 63.182 61.300 0.125 0.000 1.357 341 I CB -0.571 37.545 38.000 0.193 0.000 1.051 341 I HN 0.199 nan 8.210 nan 0.000 0.409 342 E N -0.192 120.104 120.200 0.160 0.000 2.077 342 E HA -0.284 4.073 4.350 0.012 0.000 0.193 342 E C 1.885 178.596 176.600 0.185 0.000 0.989 342 E CA 1.611 58.104 56.400 0.155 0.000 0.800 342 E CB -0.260 29.540 29.700 0.167 0.000 0.746 342 E HN 0.564 nan 8.360 nan 0.000 0.452 343 W N 1.638 122.992 121.300 0.089 0.000 2.335 343 W HA -0.231 4.436 4.660 0.011 0.000 0.311 343 W C 2.335 178.880 176.519 0.044 0.000 1.213 343 W CA 2.172 59.580 57.345 0.105 0.000 1.274 343 W CB -0.371 29.166 29.460 0.128 0.000 1.148 343 W HN 0.021 nan 8.180 nan 0.000 0.498 344 A N 0.659 123.457 122.820 -0.037 0.000 1.883 344 A HA -0.256 4.071 4.320 0.012 0.000 0.217 344 A C 2.103 179.465 177.584 -0.370 0.000 1.186 344 A CA 2.152 53.962 52.037 -0.379 0.000 0.624 344 A CB -1.093 17.835 19.000 -0.120 0.000 0.822 344 A HN 0.426 nan 8.150 nan 0.000 0.444 345 K N -1.838 118.463 120.400 -0.165 0.000 2.026 345 K HA -0.217 4.110 4.320 0.012 0.000 0.208 345 K C 1.965 178.462 176.600 -0.172 0.000 1.048 345 K CA 1.828 58.043 56.287 -0.120 0.000 0.929 345 K CB -0.405 32.082 32.500 -0.022 0.000 0.713 345 K HN 0.510 nan 8.250 nan 0.000 0.439 346 Y N 0.739 120.876 120.300 -0.273 0.000 2.224 346 Y HA -0.153 4.404 4.550 0.012 0.000 0.289 346 Y C 1.833 177.485 175.900 -0.413 0.000 1.146 346 Y CA 1.617 59.542 58.100 -0.291 0.000 1.182 346 Y CB -0.286 38.017 38.460 -0.262 0.000 0.983 346 Y HN 0.168 nan 8.280 nan 0.000 0.524 347 A N -0.552 121.864 122.820 -0.674 0.000 2.206 347 A HA 0.286 4.613 4.320 0.012 0.000 0.211 347 A C 1.837 179.086 177.584 -0.558 0.000 1.158 347 A CA 0.902 52.477 52.037 -0.771 0.000 0.761 347 A CB -1.282 16.966 19.000 -1.254 0.000 0.801 347 A HN 0.974 nan 8.150 nan 0.000 0.473 348 G N -0.072 108.459 108.800 -0.447 0.000 2.137 348 G HA2 -0.242 3.725 3.960 0.012 0.000 0.237 348 G HA3 -0.242 3.725 3.960 0.012 0.000 0.237 348 G C 0.055 174.813 174.900 -0.237 0.000 1.002 348 G CA 0.434 45.353 45.100 -0.301 0.000 0.702 348 G HN 1.142 nan 8.290 nan 0.000 0.515 349 K N 0.097 120.334 120.400 -0.272 0.000 3.157 349 K HA 0.410 4.737 4.320 0.012 0.000 0.173 349 K C 0.201 176.768 176.600 -0.055 0.000 1.127 349 K CA -0.571 55.630 56.287 -0.145 0.000 0.849 349 K CB 0.544 32.913 32.500 -0.219 0.000 1.038 349 K HN 0.526 nan 8.250 nan 0.000 0.603 350 E N 2.168 122.344 120.200 -0.040 0.000 2.418 350 E HA 0.094 4.451 4.350 0.012 0.000 0.261 350 E C 0.080 176.722 176.600 0.070 0.000 1.070 350 E CA -0.715 55.684 56.400 -0.003 0.000 0.931 350 E CB 0.608 30.299 29.700 -0.015 0.000 0.954 350 E HN 0.228 nan 8.360 nan 0.000 0.439 351 I N 2.465 123.065 120.570 0.050 0.000 2.648 351 I HA 0.089 4.266 4.170 0.012 0.000 0.284 351 I C -1.667 174.433 176.117 -0.028 0.000 1.153 351 I CA -2.036 59.274 61.300 0.018 0.000 1.426 351 I CB -0.685 37.311 38.000 -0.006 0.000 1.381 351 I HN 0.497 nan 8.210 nan 0.000 0.571 352 P HA 0.060 nan 4.420 nan 0.000 0.272 352 P C -0.233 177.016 177.300 -0.086 0.000 1.254 352 P CA -0.356 62.701 63.100 -0.072 0.000 0.795 352 P CB 0.465 32.103 31.700 -0.104 0.000 1.022 353 S N 0.062 115.729 115.700 -0.055 0.000 2.489 353 S HA 0.503 4.980 4.470 0.012 0.000 0.277 353 S C -0.299 174.267 174.600 -0.055 0.000 1.230 353 S CA -0.484 57.694 58.200 -0.037 0.000 1.053 353 S CB -0.756 62.438 63.200 -0.010 0.000 0.955 353 S HN 0.314 nan 8.310 nan 0.000 0.488 354 V N 2.103 121.988 119.914 -0.049 0.000 3.182 354 V HA 0.628 4.755 4.120 0.012 0.000 0.308 354 V C -0.439 175.690 176.094 0.059 0.000 1.240 354 V CA -1.348 60.936 62.300 -0.025 0.000 1.063 354 V CB 1.234 33.038 31.823 -0.032 0.000 1.076 354 V HN 0.768 nan 8.190 nan 0.000 0.446 355 D N 0.571 121.017 120.400 0.077 0.000 2.455 355 D HA 0.118 4.765 4.640 0.012 0.000 0.241 355 D C 1.049 177.484 176.300 0.225 0.000 1.138 355 D CA 0.125 54.196 54.000 0.117 0.000 0.877 355 D CB 1.082 41.929 40.800 0.078 0.000 1.187 355 D HN 0.623 nan 8.370 nan 0.000 0.451 356 E N 2.785 123.100 120.200 0.191 0.000 2.106 356 E HA -0.178 4.179 4.350 0.012 0.000 0.192 356 E C 1.817 178.530 176.600 0.188 0.000 0.984 356 E CA 0.700 57.231 56.400 0.219 0.000 0.806 356 E CB -0.061 29.720 29.700 0.135 0.000 0.750 356 E HN 0.465 nan 8.360 nan 0.000 0.458 357 R N 0.096 120.687 120.500 0.151 0.000 2.066 357 R HA -0.150 4.197 4.340 0.012 0.000 0.232 357 R C 2.262 178.654 176.300 0.154 0.000 1.131 357 R CA 1.218 57.388 56.100 0.116 0.000 0.955 357 R CB -0.958 29.399 30.300 0.096 0.000 0.851 357 R HN 0.200 nan 8.270 nan 0.000 0.432 358 Y N -0.191 120.152 120.300 0.073 0.000 2.181 358 Y HA -0.202 4.356 4.550 0.013 0.000 0.288 358 Y C 1.823 177.798 175.900 0.124 0.000 1.146 358 Y CA 1.694 59.834 58.100 0.067 0.000 1.164 358 Y CB -0.491 37.996 38.460 0.045 0.000 0.982 358 Y HN 0.146 nan 8.280 nan 0.000 0.515 359 F N 0.466 120.424 119.950 0.014 0.000 2.102 359 F HA -0.195 4.341 4.527 0.013 0.000 0.298 359 F C 2.470 178.178 175.800 -0.153 0.000 1.105 359 F CA 1.822 59.779 58.000 -0.071 0.000 1.239 359 F CB -1.095 37.936 39.000 0.052 0.000 0.991 359 F HN 0.042 nan 8.300 nan 0.000 0.474 360 S N -0.037 115.691 115.700 0.047 0.000 2.368 360 S HA -0.160 4.317 4.470 0.012 0.000 0.225 360 S C 1.918 176.438 174.600 -0.133 0.000 1.030 360 S CA 1.129 59.266 58.200 -0.105 0.000 0.999 360 S CB -0.274 62.880 63.200 -0.076 0.000 0.844 360 S HN 0.346 nan 8.310 nan 0.000 0.459 361 E N 1.089 121.214 120.200 -0.124 0.000 2.051 361 E HA -0.118 4.239 4.350 0.012 0.000 0.192 361 E C 2.556 178.976 176.600 -0.300 0.000 0.991 361 E CA 1.741 58.040 56.400 -0.169 0.000 0.799 361 E CB -0.722 28.910 29.700 -0.113 0.000 0.748 361 E HN 0.731 nan 8.360 nan 0.000 0.449 362 T N -0.447 113.831 114.554 -0.459 0.000 2.833 362 T HA -0.078 4.279 4.350 0.012 0.000 0.269 362 T C 2.262 176.651 174.700 -0.518 0.000 1.054 362 T CA 0.784 62.470 62.100 -0.690 0.000 1.135 362 T CB -0.441 67.889 68.868 -0.895 0.000 0.869 362 T HN 0.044 nan 8.240 nan 0.000 0.466 363 L N 0.446 121.475 121.223 -0.323 0.000 2.027 363 L HA 0.002 4.349 4.340 0.012 0.000 0.206 363 L C 3.259 179.965 176.870 -0.273 0.000 1.074 363 L CA 1.487 56.150 54.840 -0.295 0.000 0.745 363 L CB -0.494 41.405 42.059 -0.267 0.000 0.898 363 L HN 0.228 nan 8.230 nan 0.000 0.433 364 R N 0.521 120.881 120.500 -0.233 0.000 2.105 364 R HA -0.186 4.161 4.340 0.012 0.000 0.239 364 R C 2.199 178.386 176.300 -0.189 0.000 1.135 364 R CA 1.585 57.574 56.100 -0.185 0.000 0.967 364 R CB -0.201 30.011 30.300 -0.148 0.000 0.861 364 R HN 0.333 nan 8.270 nan 0.000 0.442 365 I N -0.476 119.950 120.570 -0.239 0.000 2.333 365 I HA -0.261 3.916 4.170 0.012 0.000 0.246 365 I C 2.280 178.262 176.117 -0.225 0.000 1.106 365 I CA 0.685 61.850 61.300 -0.225 0.000 1.411 365 I CB -0.091 37.739 38.000 -0.282 0.000 1.082 365 I HN 0.266 nan 8.210 nan 0.000 0.420 366 C N 0.936 120.055 119.300 -0.302 0.000 2.446 366 C HA -0.075 4.392 4.460 0.012 0.000 0.279 366 C C 2.767 177.646 174.990 -0.185 0.000 1.366 366 C CA 0.659 59.534 59.018 -0.238 0.000 1.763 366 C CB -1.290 26.274 27.740 -0.293 0.000 1.929 366 C HN 0.509 nan 8.230 nan 0.000 0.509 367 R N 0.900 121.281 120.500 -0.199 0.000 2.280 367 R HA 0.004 4.352 4.340 0.012 0.000 0.207 367 R C 1.407 177.629 176.300 -0.130 0.000 1.043 367 R CA 1.089 57.086 56.100 -0.171 0.000 1.006 367 R CB -0.385 29.806 30.300 -0.181 0.000 0.885 367 R HN 0.367 nan 8.270 nan 0.000 0.467 368 E N 1.323 121.452 120.200 -0.117 0.000 2.208 368 E HA -0.067 4.290 4.350 0.012 0.000 0.193 368 E C 1.019 177.576 176.600 -0.071 0.000 0.988 368 E CA 0.839 57.185 56.400 -0.090 0.000 0.828 368 E CB 0.191 29.844 29.700 -0.078 0.000 0.763 368 E HN 0.326 nan 8.360 nan 0.000 0.478 369 K N 0.337 120.696 120.400 -0.069 0.000 2.367 369 K HA 0.114 4.441 4.320 0.012 0.000 0.194 369 K C 1.021 177.597 176.600 -0.040 0.000 1.027 369 K CA 0.090 56.349 56.287 -0.046 0.000 1.075 369 K CB 0.690 33.168 32.500 -0.037 0.000 0.845 369 K HN 0.055 nan 8.250 nan 0.000 0.529 370 V N -1.696 118.182 119.914 -0.059 0.000 3.046 370 V HA 0.517 4.644 4.120 0.012 0.000 0.316 370 V C 0.072 176.130 176.094 -0.060 0.000 1.104 370 V CA -0.967 61.303 62.300 -0.051 0.000 1.006 370 V CB 2.042 33.829 31.823 -0.061 0.000 1.058 370 V HN -0.108 nan 8.190 nan 0.000 0.440 371 N N 0.658 119.332 118.700 -0.043 0.000 2.159 371 N HA 0.203 4.950 4.740 0.012 0.000 0.217 371 N C 0.215 175.698 175.510 -0.045 0.000 1.223 371 N CA 0.788 53.811 53.050 -0.045 0.000 0.896 371 N CB 1.165 39.645 38.487 -0.012 0.000 1.064 371 N HN 1.064 nan 8.380 nan 0.000 0.518 372 T N -3.219 111.298 114.554 -0.061 0.000 2.868 372 T HA 0.425 4.782 4.350 0.012 0.000 0.306 372 T C 1.050 175.643 174.700 -0.179 0.000 1.224 372 T CA -0.670 61.377 62.100 -0.090 0.000 1.012 372 T CB 1.102 69.937 68.868 -0.054 0.000 1.221 372 T HN -0.168 nan 8.240 nan 0.000 0.499 373 L N 1.205 122.243 121.223 -0.308 0.000 2.191 373 L HA -0.041 4.306 4.340 0.012 0.000 0.212 373 L C 2.935 179.387 176.870 -0.696 0.000 1.103 373 L CA 1.447 56.002 54.840 -0.475 0.000 0.769 373 L CB -0.551 41.080 42.059 -0.712 0.000 0.908 373 L HN 0.871 nan 8.230 nan 0.000 0.438 374 S N -0.463 114.829 115.700 -0.681 0.000 2.371 374 S HA -0.186 4.291 4.470 0.012 0.000 0.224 374 S C 1.951 176.554 174.600 0.006 0.000 1.029 374 S CA 1.121 59.116 58.200 -0.341 0.000 0.978 374 S CB 0.025 63.203 63.200 -0.037 0.000 0.833 374 S HN 0.447 nan 8.310 nan 0.000 0.466 375 Q N 0.120 119.905 119.800 -0.025 0.000 2.124 375 Q HA -0.076 4.271 4.340 0.012 0.000 0.202 375 Q C 2.155 178.175 176.000 0.033 0.000 0.977 375 Q CA 1.448 57.267 55.803 0.027 0.000 0.850 375 Q CB -0.301 28.437 28.738 -0.001 0.000 0.901 375 Q HN 0.466 nan 8.270 nan 0.000 0.429 376 L N -0.323 120.884 121.223 -0.026 0.000 2.046 376 L HA -0.201 4.146 4.340 0.012 0.000 0.208 376 L C 2.076 178.984 176.870 0.063 0.000 1.077 376 L CA 1.781 56.571 54.840 -0.083 0.000 0.747 376 L CB -0.728 41.188 42.059 -0.238 0.000 0.896 376 L HN 0.214 nan 8.230 nan 0.000 0.432 377 Y N 0.379 120.808 120.300 0.215 0.000 2.181 377 Y HA -0.265 4.292 4.550 0.012 0.000 0.288 377 Y C 2.226 178.336 175.900 0.351 0.000 1.146 377 Y CA 2.096 60.501 58.100 0.509 0.000 1.164 377 Y CB -0.228 38.580 38.460 0.580 0.000 0.982 377 Y HN 0.324 nan 8.280 nan 0.000 0.515 378 D N 0.100 120.712 120.400 0.354 0.000 2.117 378 D HA -0.188 4.459 4.640 0.012 0.000 0.197 378 D C 2.032 178.408 176.300 0.126 0.000 0.987 378 D CA 1.612 55.750 54.000 0.231 0.000 0.829 378 D CB -0.409 40.503 40.800 0.187 0.000 0.961 378 D HN 0.442 nan 8.370 nan 0.000 0.460 379 I N 0.221 120.849 120.570 0.097 0.000 2.761 379 I HA -0.073 4.104 4.170 0.012 0.000 0.261 379 I C 1.782 177.996 176.117 0.162 0.000 1.198 379 I CA 0.713 62.067 61.300 0.091 0.000 1.482 379 I CB -0.054 37.985 38.000 0.065 0.000 1.100 379 I HN -0.129 nan 8.210 nan 0.000 0.445 380 M N -1.282 118.380 119.600 0.102 0.000 2.419 380 M HA -0.134 4.353 4.480 0.012 0.000 0.264 380 M C 2.114 178.468 176.300 0.090 0.000 1.082 380 M CA 1.078 56.448 55.300 0.117 0.000 1.119 380 M CB -1.082 31.515 32.600 -0.005 0.000 1.398 380 M HN 0.301 nan 8.290 nan 0.000 0.453 381 Y N 2.828 123.059 120.300 -0.116 0.000 2.081 381 Y HA -0.204 4.352 4.550 0.010 0.000 0.280 381 Y C -0.576 175.277 175.900 -0.079 0.000 1.163 381 Y CA 2.618 60.620 58.100 -0.163 0.000 1.135 381 Y CB -1.533 36.820 38.460 -0.179 0.000 0.970 381 Y HN 0.167 nan 8.280 nan 0.000 0.498 382 P HA -0.179 nan 4.420 nan 0.000 0.222 382 P C 1.246 178.339 177.300 -0.344 0.000 1.147 382 P CA 1.639 64.567 63.100 -0.287 0.000 0.790 382 P CB -0.370 30.926 31.700 -0.672 0.000 0.780 383 F N -0.615 119.246 119.950 -0.149 0.000 2.234 383 F HA 0.023 4.559 4.527 0.014 0.000 0.296 383 F C 2.606 178.408 175.800 0.003 0.000 1.089 383 F CA 0.927 58.887 58.000 -0.066 0.000 1.343 383 F CB -0.575 38.345 39.000 -0.135 0.000 1.040 383 F HN -0.248 nan 8.300 nan 0.000 0.498 384 M N -0.892 118.728 119.600 0.034 0.000 2.476 384 M HA 0.056 4.543 4.480 0.012 0.000 0.262 384 M C -0.226 175.954 176.300 -0.200 0.000 1.111 384 M CA 0.954 56.199 55.300 -0.092 0.000 1.127 384 M CB -0.633 31.837 32.600 -0.217 0.000 1.376 384 M HN -0.018 nan 8.290 nan 0.000 0.465 385 N N 0.471 118.995 118.700 -0.293 0.000 2.229 385 N HA 0.172 4.919 4.740 0.012 0.000 0.298 385 N C -0.635 174.854 175.510 -0.036 0.000 1.114 385 N CA -0.504 52.390 53.050 -0.260 0.000 0.776 385 N CB 2.060 40.203 38.487 -0.573 0.000 1.501 385 N HN -0.076 nan 8.380 nan 0.000 0.474 386 D N 0.051 120.434 120.400 -0.028 0.000 2.354 386 D HA -0.052 4.595 4.640 0.012 0.000 0.209 386 D C 0.405 176.600 176.300 -0.175 0.000 1.015 386 D CA 0.799 54.792 54.000 -0.011 0.000 0.867 386 D CB 0.077 40.848 40.800 -0.050 0.000 0.933 386 D HN 0.643 nan 8.370 nan 0.000 0.520 387 D N -0.206 120.134 120.400 -0.099 0.000 2.370 387 D HA -0.062 4.585 4.640 0.012 0.000 0.230 387 D C 0.437 176.665 176.300 -0.120 0.000 1.143 387 D CA -0.603 53.312 54.000 -0.142 0.000 0.834 387 D CB -0.994 39.798 40.800 -0.014 0.000 0.944 387 D HN 0.205 nan 8.370 nan 0.000 0.504 388 Y N -0.152 120.153 120.300 0.007 0.000 2.652 388 Y HA 0.241 4.801 4.550 0.015 0.000 0.344 388 Y C 0.389 176.128 175.900 -0.269 0.000 1.254 388 Y CA -1.041 57.054 58.100 -0.008 0.000 1.480 388 Y CB 0.331 38.752 38.460 -0.065 0.000 1.345 388 Y HN -0.102 nan 8.280 nan 0.000 0.617 389 E N 1.433 121.574 120.200 -0.097 0.000 2.283 389 E HA 0.243 4.600 4.350 0.012 0.000 0.267 389 E C -1.488 174.983 176.600 -0.215 0.000 1.045 389 E CA -0.858 55.422 56.400 -0.200 0.000 0.884 389 E CB 0.743 30.404 29.700 -0.066 0.000 1.106 389 E HN 0.654 nan 8.360 nan 0.000 0.408 390 Y N 1.224 121.491 120.300 -0.055 0.000 2.327 390 Y HA 0.107 4.663 4.550 0.009 0.000 0.336 390 Y C 0.650 176.608 175.900 0.097 0.000 1.035 390 Y CA -0.463 57.639 58.100 0.005 0.000 1.165 390 Y CB 0.682 39.105 38.460 -0.061 0.000 1.181 390 Y HN 0.363 nan 8.280 nan 0.000 0.494 391 E N 1.950 122.300 120.200 0.250 0.000 2.436 391 E HA -0.085 4.272 4.350 0.012 0.000 0.262 391 E C 0.812 177.577 176.600 0.276 0.000 1.063 391 E CA -0.198 56.332 56.400 0.217 0.000 0.944 391 E CB 0.794 30.604 29.700 0.182 0.000 0.950 391 E HN 0.513 nan 8.360 nan 0.000 0.444 392 K N 1.960 122.480 120.400 0.200 0.000 2.009 392 K HA -0.199 4.128 4.320 0.012 0.000 0.210 392 K C 1.114 177.820 176.600 0.177 0.000 1.049 392 K CA 1.843 58.236 56.287 0.176 0.000 0.929 392 K CB -0.089 32.484 32.500 0.122 0.000 0.714 392 K HN 0.416 nan 8.250 nan 0.000 0.440 393 D N -0.994 119.514 120.400 0.179 0.000 2.218 393 D HA -0.168 4.479 4.640 0.012 0.000 0.204 393 D C 1.677 178.135 176.300 0.263 0.000 0.976 393 D CA 0.860 54.965 54.000 0.174 0.000 0.853 393 D CB -0.219 40.684 40.800 0.172 0.000 0.939 393 D HN 0.301 nan 8.370 nan 0.000 0.481 394 Y N 1.647 122.086 120.300 0.231 0.000 2.133 394 Y HA -0.201 4.354 4.550 0.009 0.000 0.287 394 Y C 2.180 178.243 175.900 0.272 0.000 1.134 394 Y CA 1.074 59.364 58.100 0.317 0.000 1.133 394 Y CB -0.486 38.123 38.460 0.249 0.000 0.987 394 Y HN -0.209 nan 8.280 nan 0.000 0.502 395 V N 0.874 120.850 119.914 0.104 0.000 2.255 395 V HA -0.274 3.853 4.120 0.012 0.000 0.247 395 V C 2.390 178.454 176.094 -0.050 0.000 1.051 395 V CA 2.334 64.631 62.300 -0.004 0.000 1.018 395 V CB -0.637 31.303 31.823 0.195 0.000 0.641 395 V HN 0.383 nan 8.190 nan 0.000 0.445 396 E N 0.064 120.264 120.200 -0.000 0.000 2.072 396 E HA -0.177 4.180 4.350 0.012 0.000 0.190 396 E C 2.191 178.716 176.600 -0.126 0.000 0.982 396 E CA 1.111 57.485 56.400 -0.043 0.000 0.803 396 E CB -0.157 29.535 29.700 -0.012 0.000 0.755 396 E HN 0.526 nan 8.360 nan 0.000 0.453 397 K N -1.005 119.290 120.400 -0.175 0.000 2.167 397 K HA 0.011 4.338 4.320 0.012 0.000 0.203 397 K C 1.385 177.525 176.600 -0.766 0.000 1.052 397 K CA 0.765 56.773 56.287 -0.465 0.000 0.956 397 K CB 0.201 32.381 32.500 -0.534 0.000 0.735 397 K HN -0.008 nan 8.250 nan 0.000 0.451 398 F N -1.854 118.006 119.950 -0.150 0.000 2.495 398 F HA 0.093 4.626 4.527 0.010 0.000 0.272 398 F C 1.424 177.070 175.800 -0.256 0.000 0.919 398 F CA -0.452 57.439 58.000 -0.183 0.000 1.178 398 F CB -0.269 38.634 39.000 -0.162 0.000 1.030 398 F HN -0.182 nan 8.300 nan 0.000 0.777 399 L N 1.096 122.148 121.223 -0.285 0.000 2.187 399 L HA -0.099 4.249 4.340 0.012 0.000 0.213 399 L C 1.789 178.596 176.870 -0.104 0.000 1.100 399 L CA 1.867 56.563 54.840 -0.241 0.000 0.765 399 L CB -0.559 41.296 42.059 -0.340 0.000 0.904 399 L HN 0.019 nan 8.230 nan 0.000 0.437 400 K N -0.984 119.356 120.400 -0.100 0.000 2.418 400 K HA 0.051 4.378 4.320 0.012 0.000 0.195 400 K C 0.497 177.064 176.600 -0.055 0.000 1.035 400 K CA -0.116 56.128 56.287 -0.071 0.000 1.003 400 K CB 0.157 32.614 32.500 -0.071 0.000 0.793 400 K HN 0.294 nan 8.250 nan 0.000 0.494 401 R N 1.245 121.715 120.500 -0.051 0.000 2.784 401 R HA -0.052 4.295 4.340 0.012 0.000 0.266 401 R C 1.286 177.579 176.300 -0.011 0.000 1.044 401 R CA -0.098 55.984 56.100 -0.030 0.000 1.151 401 R CB 0.339 30.634 30.300 -0.007 0.000 1.037 401 R HN 0.080 nan 8.270 nan 0.000 0.478 402 E N 2.345 122.541 120.200 -0.007 0.000 2.110 402 E HA -0.220 4.137 4.350 0.012 0.000 0.193 402 E C 1.199 177.806 176.600 0.012 0.000 0.988 402 E CA 1.564 57.964 56.400 -0.001 0.000 0.804 402 E CB 0.235 29.934 29.700 -0.001 0.000 0.745 402 E HN 0.653 nan 8.360 nan 0.000 0.458 403 E N 0.024 120.238 120.200 0.023 0.000 2.481 403 E HA 0.017 4.374 4.350 0.012 0.000 0.195 403 E C 1.735 178.362 176.600 0.046 0.000 1.047 403 E CA 0.682 57.102 56.400 0.035 0.000 0.867 403 E CB -0.171 29.554 29.700 0.043 0.000 0.858 403 E HN 0.175 nan 8.360 nan 0.000 0.513 404 A N 2.165 125.011 122.820 0.045 0.000 1.892 404 A HA -0.285 4.042 4.320 0.012 0.000 0.218 404 A C 2.185 179.803 177.584 0.056 0.000 1.188 404 A CA 1.917 53.987 52.037 0.056 0.000 0.631 404 A CB -0.695 18.325 19.000 0.033 0.000 0.822 404 A HN 0.413 nan 8.150 nan 0.000 0.447 405 E N -0.218 120.006 120.200 0.040 0.000 2.038 405 E HA -0.274 4.084 4.350 0.012 0.000 0.195 405 E C 2.324 178.952 176.600 0.047 0.000 1.000 405 E CA 1.595 58.020 56.400 0.042 0.000 0.803 405 E CB -0.173 29.543 29.700 0.027 0.000 0.750 405 E HN 0.768 nan 8.360 nan 0.000 0.448 406 R N -0.033 120.491 120.500 0.040 0.000 2.148 406 R HA -0.055 4.293 4.340 0.012 0.000 0.227 406 R C 2.140 178.466 176.300 0.044 0.000 1.103 406 R CA 1.199 57.322 56.100 0.038 0.000 0.983 406 R CB -0.457 29.860 30.300 0.029 0.000 0.874 406 R HN 0.029 nan 8.270 nan 0.000 0.451 407 V N 2.076 122.022 119.914 0.054 0.000 2.270 407 V HA -0.205 3.922 4.120 0.012 0.000 0.245 407 V C 2.494 178.632 176.094 0.073 0.000 1.043 407 V CA 1.697 64.034 62.300 0.061 0.000 1.014 407 V CB -0.445 31.424 31.823 0.077 0.000 0.645 407 V HN 0.278 nan 8.190 nan 0.000 0.447 408 L N -0.523 120.754 121.223 0.090 0.000 2.083 408 L HA -0.129 4.218 4.340 0.012 0.000 0.209 408 L C 2.723 179.655 176.870 0.103 0.000 1.083 408 L CA 1.346 56.254 54.840 0.113 0.000 0.752 408 L CB -0.681 41.451 42.059 0.122 0.000 0.899 408 L HN 0.341 nan 8.230 nan 0.000 0.433 409 E N 0.072 120.319 120.200 0.078 0.000 2.072 409 E HA -0.245 4.112 4.350 0.012 0.000 0.191 409 E C 2.044 178.680 176.600 0.061 0.000 0.985 409 E CA 1.177 57.617 56.400 0.068 0.000 0.801 409 E CB 0.029 29.759 29.700 0.051 0.000 0.750 409 E HN 0.372 nan 8.360 nan 0.000 0.452 410 E N 1.102 121.329 120.200 0.044 0.000 2.072 410 E HA -0.080 4.277 4.350 0.012 0.000 0.191 410 E C 1.865 178.468 176.600 0.004 0.000 0.985 410 E CA 1.317 57.729 56.400 0.019 0.000 0.801 410 E CB -0.264 29.439 29.700 0.005 0.000 0.750 410 E HN 0.167 nan 8.360 nan 0.000 0.452 411 A N 1.134 123.971 122.820 0.029 0.000 1.908 411 A HA -0.244 4.083 4.320 0.012 0.000 0.218 411 A C 2.216 179.898 177.584 0.163 0.000 1.181 411 A CA 2.048 54.099 52.037 0.023 0.000 0.627 411 A CB -0.662 18.432 19.000 0.158 0.000 0.818 411 A HN 0.292 nan 8.150 nan 0.000 0.445 412 K N -0.124 120.398 120.400 0.204 0.000 2.057 412 K HA -0.202 4.125 4.320 0.012 0.000 0.207 412 K C 2.185 178.891 176.600 0.178 0.000 1.049 412 K CA 1.852 58.279 56.287 0.233 0.000 0.931 412 K CB -0.195 32.401 32.500 0.159 0.000 0.714 412 K HN 0.462 nan 8.250 nan 0.000 0.440 413 K N -0.007 120.453 120.400 0.100 0.000 2.026 413 K HA -0.126 4.201 4.320 0.012 0.000 0.208 413 K C 1.976 178.608 176.600 0.053 0.000 1.048 413 K CA 1.320 57.648 56.287 0.067 0.000 0.929 413 K CB -0.192 32.330 32.500 0.036 0.000 0.713 413 K HN 0.227 nan 8.250 nan 0.000 0.439 414 A N 0.387 123.200 122.820 -0.012 0.000 1.898 414 A HA -0.069 4.258 4.320 0.012 0.000 0.216 414 A C 1.987 179.558 177.584 -0.022 0.000 1.181 414 A CA 1.088 53.076 52.037 -0.083 0.000 0.620 414 A CB -0.791 18.072 19.000 -0.227 0.000 0.819 414 A HN 0.383 nan 8.150 nan 0.000 0.442 415 F N 0.030 120.042 119.950 0.104 0.000 2.134 415 F HA -0.172 4.360 4.527 0.009 0.000 0.299 415 F C 2.396 178.348 175.800 0.253 0.000 1.097 415 F CA 1.710 59.840 58.000 0.216 0.000 1.264 415 F CB -0.014 39.164 39.000 0.297 0.000 1.001 415 F HN 0.168 nan 8.300 nan 0.000 0.479 416 K N 0.353 120.958 120.400 0.343 0.000 2.103 416 K HA -0.213 4.114 4.320 0.012 0.000 0.207 416 K C 1.202 177.902 176.600 0.167 0.000 1.048 416 K CA 1.898 58.311 56.287 0.209 0.000 0.930 416 K CB -0.153 32.428 32.500 0.136 0.000 0.716 416 K HN 0.150 nan 8.250 nan 0.000 0.444 417 D N 0.638 121.123 120.400 0.140 0.000 2.363 417 D HA -0.014 4.633 4.640 0.012 0.000 0.226 417 D C 0.254 176.624 176.300 0.117 0.000 1.020 417 D CA 0.332 54.391 54.000 0.098 0.000 0.892 417 D CB 0.103 40.936 40.800 0.055 0.000 0.900 417 D HN 0.232 nan 8.370 nan 0.000 0.531 418 L N 2.493 123.831 121.223 0.192 0.000 2.462 418 L HA 0.032 4.379 4.340 0.012 0.000 0.272 418 L C 1.560 178.555 176.870 0.208 0.000 1.166 418 L CA -0.159 54.807 54.840 0.210 0.000 0.880 418 L CB 0.618 42.884 42.059 0.345 0.000 1.142 418 L HN 0.009 nan 8.230 nan 0.000 0.473 419 N N 0.653 119.438 118.700 0.142 0.000 2.325 419 N HA -0.045 4.702 4.740 0.012 0.000 0.182 419 N C 0.316 175.907 175.510 0.135 0.000 1.088 419 N CA -0.024 53.096 53.050 0.118 0.000 0.879 419 N CB 0.782 39.312 38.487 0.073 0.000 0.983 419 N HN 0.374 nan 8.380 nan 0.000 0.471 420 S N 0.193 115.986 115.700 0.155 0.000 2.756 420 S HA 0.188 4.665 4.470 0.012 0.000 0.303 420 S C -1.451 173.278 174.600 0.215 0.000 1.135 420 S CA -0.743 57.549 58.200 0.153 0.000 1.066 420 S CB 0.153 63.401 63.200 0.079 0.000 1.008 420 S HN 0.357 nan 8.310 nan 0.000 0.482 421 W N 7.437 128.760 121.300 0.038 0.000 1.518 421 W HA 0.211 4.878 4.660 0.011 0.000 0.426 421 W C -0.257 176.285 176.519 0.039 0.000 0.675 421 W CA -0.446 56.927 57.345 0.047 0.000 1.936 421 W CB -0.471 29.009 29.460 0.034 0.000 1.749 421 W HN 0.788 nan 8.180 nan 0.000 0.247 422 N N -0.096 118.576 118.700 -0.046 0.000 2.471 422 N HA 0.287 5.034 4.740 0.012 0.000 0.288 422 N C 0.823 176.229 175.510 -0.173 0.000 1.220 422 N CA -0.640 52.372 53.050 -0.064 0.000 0.893 422 N CB 0.663 39.137 38.487 -0.021 0.000 1.256 422 N HN 0.036 nan 8.380 nan 0.000 0.534 423 M N -0.554 118.974 119.600 -0.121 0.000 2.213 423 M HA -0.124 4.363 4.480 0.012 0.000 0.263 423 M C 1.768 177.907 176.300 -0.270 0.000 1.062 423 M CA 1.463 56.665 55.300 -0.164 0.000 1.105 423 M CB -0.336 32.229 32.600 -0.058 0.000 1.385 423 M HN 0.826 nan 8.290 nan 0.000 0.417 424 E N 0.630 120.712 120.200 -0.197 0.000 2.051 424 E HA -0.210 4.147 4.350 0.012 0.000 0.192 424 E C 1.778 178.242 176.600 -0.227 0.000 0.991 424 E CA 1.154 57.431 56.400 -0.205 0.000 0.799 424 E CB 0.198 29.824 29.700 -0.124 0.000 0.748 424 E HN 0.351 nan 8.360 nan 0.000 0.449 425 E N 0.480 120.567 120.200 -0.188 0.000 2.106 425 E HA -0.154 4.203 4.350 0.012 0.000 0.192 425 E C 2.217 178.677 176.600 -0.233 0.000 0.984 425 E CA 0.760 57.053 56.400 -0.178 0.000 0.806 425 E CB -0.176 29.448 29.700 -0.126 0.000 0.750 425 E HN 0.466 nan 8.360 nan 0.000 0.458 426 I N 0.991 121.390 120.570 -0.286 0.000 2.252 426 I HA -0.231 3.946 4.170 0.012 0.000 0.245 426 I C 2.626 178.576 176.117 -0.277 0.000 1.102 426 I CA 1.101 62.269 61.300 -0.220 0.000 1.385 426 I CB -0.168 37.673 38.000 -0.265 0.000 1.064 426 I HN 0.104 nan 8.210 nan 0.000 0.414 427 E N 1.431 121.287 120.200 -0.573 0.000 2.077 427 E HA -0.297 4.060 4.350 0.012 0.000 0.193 427 E C 2.218 178.617 176.600 -0.335 0.000 0.989 427 E CA 1.303 57.217 56.400 -0.811 0.000 0.800 427 E CB 0.045 29.102 29.700 -1.071 0.000 0.746 427 E HN 0.325 nan 8.360 nan 0.000 0.452 428 K N -0.184 120.056 120.400 -0.266 0.000 2.097 428 K HA -0.109 4.218 4.320 0.012 0.000 0.205 428 K C 2.003 178.496 176.600 -0.179 0.000 1.050 428 K CA 1.745 57.928 56.287 -0.174 0.000 0.938 428 K CB -0.058 32.353 32.500 -0.149 0.000 0.718 428 K HN 0.040 nan 8.250 nan 0.000 0.442 429 T N 1.590 115.991 114.554 -0.253 0.000 2.720 429 T HA -0.136 4.221 4.350 0.012 0.000 0.268 429 T C 1.669 176.194 174.700 -0.291 0.000 1.037 429 T CA 1.310 63.190 62.100 -0.368 0.000 1.144 429 T CB -0.118 68.308 68.868 -0.737 0.000 0.864 429 T HN 0.079 nan 8.240 nan 0.000 0.444 430 L N 0.585 121.685 121.223 -0.205 0.000 2.056 430 L HA 0.097 4.444 4.340 0.012 0.000 0.207 430 L C 2.569 179.425 176.870 -0.024 0.000 1.078 430 L CA 1.442 56.201 54.840 -0.136 0.000 0.749 430 L CB -0.617 41.315 42.059 -0.211 0.000 0.901 430 L HN 0.123 nan 8.230 nan 0.000 0.433 431 R N -0.159 120.345 120.500 0.007 0.000 2.083 431 R HA -0.194 4.153 4.340 0.012 0.000 0.237 431 R C 1.861 178.172 176.300 0.018 0.000 1.137 431 R CA 1.917 58.053 56.100 0.060 0.000 0.951 431 R CB -0.258 30.058 30.300 0.027 0.000 0.851 431 R HN 0.311 nan 8.270 nan 0.000 0.434 432 D N 0.544 120.923 120.400 -0.036 0.000 2.182 432 D HA -0.168 4.479 4.640 0.012 0.000 0.201 432 D C 1.947 178.232 176.300 -0.025 0.000 0.986 432 D CA 1.054 55.031 54.000 -0.039 0.000 0.847 432 D CB -0.114 40.642 40.800 -0.072 0.000 0.942 432 D HN 0.324 nan 8.370 nan 0.000 0.467 433 L N 0.754 121.959 121.223 -0.031 0.000 2.046 433 L HA -0.163 4.184 4.340 0.012 0.000 0.208 433 L C 2.560 179.448 176.870 0.030 0.000 1.077 433 L CA 1.440 56.275 54.840 -0.009 0.000 0.747 433 L CB -0.467 41.584 42.059 -0.015 0.000 0.896 433 L HN 0.084 nan 8.230 nan 0.000 0.432 434 S N -1.069 114.667 115.700 0.059 0.000 2.406 434 S HA -0.084 4.393 4.470 0.012 0.000 0.224 434 S C 1.702 176.332 174.600 0.051 0.000 1.030 434 S CA 0.346 58.591 58.200 0.074 0.000 0.958 434 S CB -0.241 63.030 63.200 0.118 0.000 0.811 434 S HN 0.413 nan 8.310 nan 0.000 0.489 435 E N 1.571 121.795 120.200 0.041 0.000 2.204 435 E HA -0.036 4.321 4.350 0.012 0.000 0.194 435 E C 1.547 178.158 176.600 0.018 0.000 0.989 435 E CA 0.813 57.229 56.400 0.027 0.000 0.824 435 E CB -0.119 29.593 29.700 0.020 0.000 0.756 435 E HN 0.584 nan 8.360 nan 0.000 0.477 436 K N -0.350 120.058 120.400 0.013 0.000 2.444 436 K HA 0.065 4.393 4.320 0.012 0.000 0.193 436 K C 0.818 177.427 176.600 0.014 0.000 1.024 436 K CA 0.431 56.723 56.287 0.008 0.000 1.077 436 K CB 0.652 33.151 32.500 -0.001 0.000 0.833 436 K HN 0.210 nan 8.250 nan 0.000 0.517 437 G N 1.304 110.117 108.800 0.022 0.000 2.136 437 G HA2 -0.256 3.711 3.960 0.012 0.000 0.242 437 G HA3 -0.256 3.711 3.960 0.012 0.000 0.242 437 G C 0.623 175.540 174.900 0.029 0.000 0.989 437 G CA -0.058 45.057 45.100 0.025 0.000 0.682 437 G HN 0.250 nan 8.290 nan 0.000 0.522 438 L N -0.770 120.472 121.223 0.032 0.000 2.217 438 L HA 0.466 4.813 4.340 0.012 0.000 0.211 438 L C 1.523 178.422 176.870 0.048 0.000 1.107 438 L CA 1.474 56.336 54.840 0.035 0.000 0.783 438 L CB -0.362 41.717 42.059 0.033 0.000 0.919 438 L HN 0.935 nan 8.230 nan 0.000 0.442 439 A N -1.215 121.641 122.820 0.059 0.000 2.490 439 A HA 0.445 4.772 4.320 0.012 0.000 0.292 439 A C -0.429 177.206 177.584 0.085 0.000 1.047 439 A CA -0.191 51.891 52.037 0.075 0.000 0.632 439 A CB 0.365 19.422 19.000 0.095 0.000 1.323 439 A HN 0.014 nan 8.150 nan 0.000 0.448 440 S N 0.151 115.907 115.700 0.094 0.000 2.600 440 S HA 0.280 4.757 4.470 0.012 0.000 0.265 440 S C 1.059 175.735 174.600 0.127 0.000 1.325 440 S CA 0.556 58.812 58.200 0.094 0.000 1.002 440 S CB 0.891 64.144 63.200 0.087 0.000 0.921 440 S HN 0.964 nan 8.310 nan 0.000 0.554 441 K N 1.010 121.479 120.400 0.115 0.000 2.063 441 K HA -0.178 4.149 4.320 0.012 0.000 0.208 441 K C 2.212 178.925 176.600 0.188 0.000 1.048 441 K CA 1.656 58.042 56.287 0.165 0.000 0.928 441 K CB -0.310 32.223 32.500 0.055 0.000 0.713 441 K HN 0.750 nan 8.250 nan 0.000 0.442 442 K N 0.363 120.821 120.400 0.096 0.000 2.026 442 K HA -0.125 4.202 4.320 0.012 0.000 0.208 442 K C 1.863 178.569 176.600 0.176 0.000 1.048 442 K CA 1.487 57.836 56.287 0.103 0.000 0.929 442 K CB 0.020 32.589 32.500 0.115 0.000 0.713 442 K HN 0.007 nan 8.250 nan 0.000 0.439 443 V N 0.735 120.787 119.914 0.231 0.000 2.427 443 V HA -0.201 3.926 4.120 0.012 0.000 0.248 443 V C 2.310 178.505 176.094 0.169 0.000 1.051 443 V CA 1.315 63.780 62.300 0.274 0.000 1.048 443 V CB 0.005 31.997 31.823 0.282 0.000 0.666 443 V HN 0.174 nan 8.190 nan 0.000 0.456 444 V N -0.664 119.364 119.914 0.191 0.000 2.261 444 V HA -0.258 3.870 4.120 0.012 0.000 0.246 444 V C 2.149 178.320 176.094 0.128 0.000 1.047 444 V CA 2.310 64.705 62.300 0.159 0.000 1.015 444 V CB -0.681 31.249 31.823 0.177 0.000 0.642 444 V HN 0.453 nan 8.190 nan 0.000 0.446 445 F N -0.293 119.654 119.950 -0.005 0.000 2.095 445 F HA -0.216 4.319 4.527 0.013 0.000 0.298 445 F C 2.771 178.500 175.800 -0.118 0.000 1.104 445 F CA 1.637 59.610 58.000 -0.044 0.000 1.232 445 F CB -0.276 38.687 39.000 -0.062 0.000 0.987 445 F HN 0.119 nan 8.300 nan 0.000 0.475 446 Q N 0.124 119.886 119.800 -0.063 0.000 2.119 446 Q HA -0.107 4.240 4.340 0.012 0.000 0.201 446 Q C 2.467 178.374 176.000 -0.155 0.000 0.972 446 Q CA 1.089 56.674 55.803 -0.363 0.000 0.847 446 Q CB -0.662 27.336 28.738 -1.233 0.000 0.903 446 Q HN 0.482 nan 8.270 nan 0.000 0.433 447 L N -0.012 121.198 121.223 -0.023 0.000 2.046 447 L HA -0.172 4.175 4.340 0.012 0.000 0.208 447 L C 2.114 179.116 176.870 0.221 0.000 1.077 447 L CA 0.671 55.651 54.840 0.233 0.000 0.747 447 L CB -0.322 41.841 42.059 0.173 0.000 0.896 447 L HN 0.194 nan 8.230 nan 0.000 0.432 448 I N -0.506 120.116 120.570 0.088 0.000 2.286 448 I HA -0.230 3.947 4.170 0.012 0.000 0.245 448 I C 2.628 178.726 176.117 -0.032 0.000 1.104 448 I CA 1.227 62.560 61.300 0.056 0.000 1.397 448 I CB -1.208 36.812 38.000 0.033 0.000 1.072 448 I HN 0.315 nan 8.210 nan 0.000 0.417 449 R N 1.038 121.487 120.500 -0.085 0.000 2.080 449 R HA -0.161 4.186 4.340 0.012 0.000 0.236 449 R C 2.354 178.490 176.300 -0.273 0.000 1.137 449 R CA 1.970 57.975 56.100 -0.158 0.000 0.943 449 R CB -0.608 29.611 30.300 -0.135 0.000 0.846 449 R HN 0.380 nan 8.270 nan 0.000 0.431 450 G N -0.319 108.231 108.800 -0.416 0.000 2.422 450 G HA2 -0.225 3.742 3.960 0.012 0.000 0.218 450 G HA3 -0.225 3.742 3.960 0.012 0.000 0.218 450 G C 1.493 175.986 174.900 -0.677 0.000 1.140 450 G CA 0.701 45.190 45.100 -1.019 0.000 0.775 450 G HN 0.499 nan 8.290 nan 0.000 0.545 451 A N 0.538 123.232 122.820 -0.210 0.000 1.902 451 A HA 0.049 4.376 4.320 0.012 0.000 0.217 451 A C 2.561 180.226 177.584 0.136 0.000 1.181 451 A CA 2.402 54.534 52.037 0.159 0.000 0.623 451 A CB -0.605 18.519 19.000 0.206 0.000 0.818 451 A HN 0.938 nan 8.150 nan 0.000 0.443 452 V N -3.194 116.676 119.914 -0.073 0.000 3.506 452 V HA 0.103 4.230 4.120 0.012 0.000 0.263 452 V C 1.557 177.298 176.094 -0.589 0.000 1.203 452 V CA 1.864 64.058 62.300 -0.177 0.000 1.133 452 V CB -0.498 31.228 31.823 -0.162 0.000 0.802 452 V HN 0.684 nan 8.190 nan 0.000 0.459 453 T N -5.030 109.112 114.554 -0.687 0.000 2.992 453 T HA 0.432 4.789 4.350 0.012 0.000 0.255 453 T C 1.715 175.917 174.700 -0.830 0.000 0.938 453 T CA 1.055 62.583 62.100 -0.952 0.000 0.895 453 T CB 0.595 69.095 68.868 -0.613 0.000 1.221 453 T HN 1.532 nan 8.240 nan 0.000 0.512 454 G N 1.777 110.278 108.800 -0.499 0.000 2.179 454 G HA2 -0.229 3.738 3.960 0.012 0.000 0.260 454 G HA3 -0.229 3.738 3.960 0.012 0.000 0.260 454 G C -0.112 174.655 174.900 -0.221 0.000 0.977 454 G CA 0.477 45.413 45.100 -0.273 0.000 0.641 454 G HN 0.756 nan 8.290 nan 0.000 0.533 455 K N -0.739 119.500 120.400 -0.268 0.000 2.267 455 K HA 0.726 5.053 4.320 0.012 0.000 0.246 455 K C 1.016 177.544 176.600 -0.121 0.000 0.954 455 K CA -0.974 55.230 56.287 -0.137 0.000 0.824 455 K CB 1.755 34.187 32.500 -0.113 0.000 1.167 455 K HN 0.005 nan 8.250 nan 0.000 0.431 456 L N 0.812 122.030 121.223 -0.008 0.000 2.529 456 L HA 0.139 4.486 4.340 0.012 0.000 0.223 456 L C -0.047 176.822 176.870 -0.002 0.000 1.113 456 L CA 0.161 55.014 54.840 0.021 0.000 0.861 456 L CB 0.572 42.712 42.059 0.135 0.000 1.012 456 L HN 0.227 nan 8.230 nan 0.000 0.461 457 V N 0.016 119.926 119.914 -0.007 0.000 2.483 457 V HA 0.503 4.630 4.120 0.012 0.000 0.297 457 V C -0.063 176.018 176.094 -0.021 0.000 1.027 457 V CA -0.352 61.945 62.300 -0.006 0.000 0.855 457 V CB 1.618 33.450 31.823 0.015 0.000 0.995 457 V HN 0.324 nan 8.190 nan 0.000 0.424 458 T N 3.351 117.891 114.554 -0.024 0.000 2.731 458 T HA 0.711 5.068 4.350 0.012 0.000 0.300 458 T C -3.008 171.693 174.700 0.000 0.000 1.283 458 T CA -1.563 60.530 62.100 -0.011 0.000 1.005 458 T CB 1.769 70.612 68.868 -0.042 0.000 1.420 458 T HN 0.339 nan 8.240 nan 0.000 0.503 459 P HA 0.414 nan 4.420 nan 0.000 0.275 459 P C 0.414 177.707 177.300 -0.011 0.000 1.270 459 P CA -0.183 62.920 63.100 0.006 0.000 0.791 459 P CB -0.299 31.406 31.700 0.009 0.000 1.089 460 G N 0.309 109.091 108.800 -0.030 0.000 2.115 460 G HA2 -0.114 3.853 3.960 0.012 0.000 0.244 460 G HA3 -0.114 3.853 3.960 0.012 0.000 0.244 460 G C 0.857 175.696 174.900 -0.102 0.000 1.105 460 G CA -0.169 44.889 45.100 -0.070 0.000 0.893 460 G HN 0.519 nan 8.290 nan 0.000 0.443 461 L N 3.486 124.568 121.223 -0.235 0.000 2.046 461 L HA -0.008 4.339 4.340 0.012 0.000 0.208 461 L C 2.407 179.174 176.870 -0.172 0.000 1.077 461 L CA 1.700 56.389 54.840 -0.252 0.000 0.747 461 L CB -0.617 41.235 42.059 -0.346 0.000 0.896 461 L HN 0.572 nan 8.230 nan 0.000 0.432 462 F N 0.050 120.005 119.950 0.008 0.000 2.186 462 F HA -0.094 4.439 4.527 0.011 0.000 0.299 462 F C 2.485 178.280 175.800 -0.009 0.000 1.090 462 F CA 1.051 59.036 58.000 -0.025 0.000 1.307 462 F CB -1.114 37.876 39.000 -0.018 0.000 1.019 462 F HN 0.195 nan 8.300 nan 0.000 0.489 463 E N -0.198 120.098 120.200 0.160 0.000 2.077 463 E HA -0.152 4.205 4.350 0.012 0.000 0.193 463 E C 2.142 178.818 176.600 0.127 0.000 0.989 463 E CA 1.791 58.257 56.400 0.111 0.000 0.800 463 E CB -0.373 29.361 29.700 0.057 0.000 0.746 463 E HN 0.312 nan 8.360 nan 0.000 0.452 464 T N 1.439 116.073 114.554 0.134 0.000 2.708 464 T HA -0.135 4.222 4.350 0.012 0.000 0.266 464 T C 1.991 176.811 174.700 0.200 0.000 1.037 464 T CA 0.991 63.230 62.100 0.231 0.000 1.146 464 T CB -0.179 68.777 68.868 0.147 0.000 0.865 464 T HN 0.110 nan 8.240 nan 0.000 0.435 465 I N 0.762 121.403 120.570 0.119 0.000 2.252 465 I HA -0.135 4.042 4.170 0.012 0.000 0.245 465 I C 2.740 179.037 176.117 0.301 0.000 1.102 465 I CA 1.273 62.645 61.300 0.120 0.000 1.385 465 I CB -0.371 37.616 38.000 -0.021 0.000 1.064 465 I HN 0.350 nan 8.210 nan 0.000 0.414 466 E N 0.877 121.207 120.200 0.217 0.000 2.038 466 E HA -0.248 4.109 4.350 0.012 0.000 0.195 466 E C 2.338 179.172 176.600 0.391 0.000 1.000 466 E CA 1.629 58.211 56.400 0.304 0.000 0.803 466 E CB 0.012 29.799 29.700 0.145 0.000 0.750 466 E HN 0.259 nan 8.360 nan 0.000 0.448 467 V N 0.867 120.948 119.914 0.277 0.000 2.515 467 V HA -0.170 3.957 4.120 0.012 0.000 0.250 467 V C 2.238 178.560 176.094 0.380 0.000 1.058 467 V CA 1.195 63.656 62.300 0.268 0.000 1.064 467 V CB -0.218 31.684 31.823 0.133 0.000 0.675 467 V HN 0.339 nan 8.190 nan 0.000 0.461 468 L N 0.327 121.769 121.223 0.365 0.000 2.131 468 L HA 0.195 4.542 4.340 0.012 0.000 0.210 468 L C 1.256 178.184 176.870 0.097 0.000 1.092 468 L CA 1.022 56.032 54.840 0.283 0.000 0.759 468 L CB -0.873 41.276 42.059 0.150 0.000 0.903 468 L HN 0.599 nan 8.230 nan 0.000 0.435 469 G N -0.299 108.553 108.800 0.087 0.000 2.730 469 G HA2 -0.282 3.685 3.960 0.012 0.000 0.686 469 G HA3 -0.282 3.685 3.960 0.012 0.000 0.686 469 G C 0.239 174.655 174.900 -0.807 0.000 1.343 469 G CA 0.092 44.978 45.100 -0.357 0.000 0.826 469 G HN 0.163 nan 8.290 nan 0.000 0.582 470 K N -0.022 119.396 120.400 -1.636 0.000 2.026 470 K HA -0.119 4.208 4.320 0.012 0.000 0.208 470 K C 2.248 178.448 176.600 -0.666 0.000 1.048 470 K CA 2.119 57.390 56.287 -1.693 0.000 0.929 470 K CB -0.165 31.506 32.500 -1.381 0.000 0.713 470 K HN 0.493 nan 8.250 nan 0.000 0.439 471 E N 0.686 120.613 120.200 -0.457 0.000 2.077 471 E HA -0.171 4.186 4.350 0.012 0.000 0.193 471 E C 2.176 178.663 176.600 -0.189 0.000 0.989 471 E CA 1.169 57.417 56.400 -0.252 0.000 0.800 471 E CB -0.134 29.444 29.700 -0.203 0.000 0.746 471 E HN 0.348 nan 8.360 nan 0.000 0.452 472 R N 0.059 120.440 120.500 -0.199 0.000 2.081 472 R HA -0.053 4.294 4.340 0.012 0.000 0.235 472 R C 2.464 178.713 176.300 -0.085 0.000 1.131 472 R CA 1.626 57.654 56.100 -0.119 0.000 0.960 472 R CB -0.471 29.768 30.300 -0.101 0.000 0.856 472 R HN 0.127 nan 8.270 nan 0.000 0.436 473 T N 1.823 116.305 114.554 -0.121 0.000 2.720 473 T HA -0.108 4.249 4.350 0.012 0.000 0.268 473 T C 1.907 176.586 174.700 -0.034 0.000 1.037 473 T CA 1.134 63.186 62.100 -0.079 0.000 1.144 473 T CB -0.154 68.668 68.868 -0.077 0.000 0.864 473 T HN 0.129 nan 8.240 nan 0.000 0.444 474 L N 0.288 121.485 121.223 -0.044 0.000 2.027 474 L HA -0.088 4.259 4.340 0.012 0.000 0.206 474 L C 2.686 179.574 176.870 0.028 0.000 1.074 474 L CA 1.432 56.287 54.840 0.024 0.000 0.745 474 L CB -0.488 41.575 42.059 0.007 0.000 0.898 474 L HN 0.194 nan 8.230 nan 0.000 0.433 475 K N -0.015 120.383 120.400 -0.004 0.000 2.063 475 K HA -0.178 4.149 4.320 0.012 0.000 0.208 475 K C 2.272 178.898 176.600 0.043 0.000 1.048 475 K CA 1.480 57.772 56.287 0.009 0.000 0.928 475 K CB -0.090 32.399 32.500 -0.018 0.000 0.713 475 K HN 0.265 nan 8.250 nan 0.000 0.442 476 R N 0.400 120.935 120.500 0.057 0.000 2.090 476 R HA -0.012 4.335 4.340 0.012 0.000 0.228 476 R C 2.336 178.723 176.300 0.145 0.000 1.110 476 R CA 0.822 56.992 56.100 0.117 0.000 0.973 476 R CB -0.248 30.136 30.300 0.141 0.000 0.869 476 R HN 0.145 nan 8.270 nan 0.000 0.440 477 L N 0.552 121.847 121.223 0.120 0.000 2.046 477 L HA -0.179 4.168 4.340 0.012 0.000 0.208 477 L C 2.567 179.516 176.870 0.133 0.000 1.077 477 L CA 1.202 56.128 54.840 0.144 0.000 0.747 477 L CB -0.333 41.820 42.059 0.157 0.000 0.896 477 L HN 0.128 nan 8.230 nan 0.000 0.432 478 E N 0.678 120.942 120.200 0.107 0.000 2.051 478 E HA -0.257 4.100 4.350 0.012 0.000 0.192 478 E C 2.235 178.897 176.600 0.103 0.000 0.991 478 E CA 1.405 57.860 56.400 0.092 0.000 0.799 478 E CB -0.156 29.584 29.700 0.067 0.000 0.748 478 E HN 0.163 nan 8.360 nan 0.000 0.449 479 R N -0.537 120.028 120.500 0.108 0.000 2.091 479 R HA -0.131 4.216 4.340 0.012 0.000 0.238 479 R C 1.970 178.384 176.300 0.190 0.000 1.136 479 R CA 1.994 58.170 56.100 0.127 0.000 0.959 479 R CB -0.526 29.830 30.300 0.094 0.000 0.856 479 R HN 0.233 nan 8.270 nan 0.000 0.437 480 T N 1.398 116.075 114.554 0.204 0.000 2.821 480 T HA -0.070 4.287 4.350 0.012 0.000 0.267 480 T C 1.817 176.608 174.700 0.152 0.000 1.046 480 T CA 1.076 63.276 62.100 0.167 0.000 1.139 480 T CB -0.065 68.922 68.868 0.199 0.000 0.871 480 T HN 0.177 nan 8.240 nan 0.000 0.454 481 L N 0.758 122.062 121.223 0.134 0.000 2.046 481 L HA -0.115 4.232 4.340 0.012 0.000 0.208 481 L C 2.991 179.917 176.870 0.093 0.000 1.077 481 L CA 1.022 55.924 54.840 0.102 0.000 0.747 481 L CB -0.412 41.700 42.059 0.088 0.000 0.896 481 L HN 0.158 nan 8.230 nan 0.000 0.432 482 Q N -0.931 118.934 119.800 0.109 0.000 2.119 482 Q HA -0.198 4.149 4.340 0.012 0.000 0.201 482 Q C 2.099 178.163 176.000 0.107 0.000 0.972 482 Q CA 1.542 57.400 55.803 0.092 0.000 0.847 482 Q CB -0.436 28.360 28.738 0.096 0.000 0.903 482 Q HN 0.425 nan 8.270 nan 0.000 0.433 483 F N 1.218 121.165 119.950 -0.006 0.000 2.146 483 F HA -0.202 4.328 4.527 0.006 0.000 0.298 483 F C 1.979 177.743 175.800 -0.060 0.000 1.096 483 F CA 0.802 58.782 58.000 -0.034 0.000 1.275 483 F CB -0.215 38.725 39.000 -0.100 0.000 1.008 483 F HN 0.106 nan 8.300 nan 0.000 0.480 484 L N 1.203 122.452 121.223 0.044 0.000 2.046 484 L HA -0.186 4.161 4.340 0.012 0.000 0.208 484 L C 2.075 178.883 176.870 -0.103 0.000 1.077 484 L CA 1.912 56.724 54.840 -0.048 0.000 0.747 484 L CB -1.088 40.984 42.059 0.021 0.000 0.896 484 L HN 0.081 nan 8.230 nan 0.000 0.432 485 K N -0.025 120.340 120.400 -0.059 0.000 2.360 485 K HA -0.162 4.165 4.320 0.012 0.000 0.201 485 K C 0.777 177.317 176.600 -0.099 0.000 1.046 485 K CA 0.510 56.763 56.287 -0.058 0.000 0.945 485 K CB -0.197 32.289 32.500 -0.023 0.000 0.750 485 K HN 0.339 nan 8.250 nan 0.000 0.464 486 K N 0.000 120.296 120.400 -0.173 0.000 2.780 486 K HA 0.000 4.327 4.320 0.012 0.000 0.191 486 K CA 0.000 56.158 56.287 -0.215 0.000 0.838 486 K CB 0.000 32.362 32.500 -0.229 0.000 1.064 486 K HN 0.000 nan 8.250 nan 0.000 0.543