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 2ve3_1_B DATA FIRST_RESID 10 DATA SEQUENCE SLPIPPGDFG LPWLGETLNF LNDGDFGKKR QQQFGPIFKT RLFGKNVIFI DATA SEQUENCE SGALANRFLF TKEQETFQAT WPLSTRILLG PNALATQMGE IHRSRRKILY DATA SEQUENCE QAFLPRTLDS YLPKMDGIVQ GYLEQWGKAN EVIWYPQLRR MTFDVAATLF DATA SEQUENCE MGEKXXXNPQ LFPWFETYIQ GLFSLPIPLP NTLFGKSQRA RALLLAELEK DATA SEQUENCE IIKARQQQPP SEEDALGILL AARDDNNQPL SLPELKDQIL LLLFAGHETL DATA SEQUENCE TSALSSFCLL LGQHSDIRER VRQEQNKLXX XXELTAETLK KMPYLDQVLQ DATA SEQUENCE EVLRLIPPVG GGFRELIQDC QFQGFHFPKG WLVSYQISQT HADPDLYPDP DATA SEQUENCE EKFDPERFTP DGSATHNPPF AHVPFGGGLR ECLGKEFARL EMKLFATRLI DATA SEQUENCE QQFDWTLLPG QNLELVVTPS PRPKDNLRVK LHSL 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 10 S HA 0.000 nan 4.470 nan 0.000 0.327 10 S C 0.000 174.545 174.600 -0.092 0.000 1.055 10 S CA 0.000 58.117 58.200 -0.139 0.000 1.107 10 S CB 0.000 63.145 63.200 -0.091 0.000 0.593 11 L N 3.699 124.867 121.223 -0.092 0.000 2.473 11 L HA 0.442 4.782 4.340 -0.001 0.000 0.265 11 L C -1.918 174.992 176.870 0.067 0.000 1.243 11 L CA -1.123 53.709 54.840 -0.013 0.000 0.822 11 L CB -0.332 41.733 42.059 0.009 0.000 1.101 11 L HN 0.244 nan 8.230 nan 0.000 0.507 12 P HA 0.224 nan 4.420 nan 0.000 0.277 12 P C -0.571 176.882 177.300 0.256 0.000 1.240 12 P CA -0.281 62.908 63.100 0.147 0.000 0.798 12 P CB 0.702 32.478 31.700 0.127 0.000 0.979 13 I N 2.761 123.439 120.570 0.180 0.000 2.720 13 I HA 0.164 4.334 4.170 -0.001 0.000 0.287 13 I C -1.779 174.411 176.117 0.121 0.000 1.090 13 I CA -2.212 59.138 61.300 0.082 0.000 1.384 13 I CB 0.230 38.208 38.000 -0.037 0.000 1.420 13 I HN 0.213 nan 8.210 nan 0.000 0.575 14 P HA 0.032 nan 4.420 nan 0.000 0.269 14 P C -2.425 174.736 177.300 -0.232 0.000 1.211 14 P CA -0.584 62.262 63.100 -0.423 0.000 0.781 14 P CB -0.309 31.039 31.700 -0.588 0.000 0.877 15 P HA 0.382 nan 4.420 nan 0.000 0.276 15 P C -0.211 176.683 177.300 -0.676 0.000 1.261 15 P CA 0.140 63.084 63.100 -0.260 0.000 0.800 15 P CB 0.697 32.400 31.700 0.005 0.000 1.066 16 G N -0.107 107.956 108.800 -1.228 0.000 2.348 16 G HA2 0.046 4.005 3.960 -0.001 0.000 0.606 16 G HA3 0.046 4.005 3.960 -0.001 0.000 0.606 16 G C -1.934 172.413 174.900 -0.923 0.000 1.466 16 G CA -0.768 43.338 45.100 -1.657 0.000 0.950 16 G HN 0.446 nan 8.290 nan 0.000 0.657 17 D N 0.393 120.424 120.400 -0.615 0.000 2.198 17 D HA 0.526 5.165 4.640 -0.001 0.000 0.245 17 D C 0.798 176.957 176.300 -0.234 0.000 1.079 17 D CA -0.413 53.416 54.000 -0.285 0.000 0.854 17 D CB 1.260 42.042 40.800 -0.030 0.000 1.148 17 D HN 0.093 nan 8.370 nan 0.000 0.456 18 F N 1.409 121.316 119.950 -0.071 0.000 2.118 18 F HA 0.096 4.623 4.527 -0.001 0.000 0.293 18 F C 2.110 177.882 175.800 -0.047 0.000 1.102 18 F CA 1.194 59.148 58.000 -0.077 0.000 1.247 18 F CB -0.681 38.269 39.000 -0.083 0.000 1.017 18 F HN 0.628 nan 8.300 nan 0.000 0.475 19 G N 0.547 109.447 108.800 0.168 0.000 2.512 19 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.240 19 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.240 19 G C -0.368 174.584 174.900 0.087 0.000 1.246 19 G CA -0.311 44.849 45.100 0.101 0.000 0.919 19 G HN 0.225 nan 8.290 nan 0.000 0.577 20 L N 1.987 123.245 121.223 0.058 0.000 2.452 20 L HA 0.344 4.684 4.340 -0.001 0.000 0.267 20 L C -1.702 175.188 176.870 0.034 0.000 1.188 20 L CA -1.477 53.391 54.840 0.046 0.000 0.821 20 L CB 0.504 42.590 42.059 0.045 0.000 1.102 20 L HN 0.318 nan 8.230 nan 0.000 0.470 21 P HA -0.097 nan 4.420 nan 0.000 0.264 21 P C -0.117 177.271 177.300 0.147 0.000 1.193 21 P CA 0.363 63.486 63.100 0.038 0.000 0.763 21 P CB 0.395 32.118 31.700 0.039 0.000 0.810 22 W N 2.199 123.432 121.300 -0.110 0.000 1.447 22 W HA -0.415 4.244 4.660 -0.001 0.000 0.276 22 W C 1.714 178.162 176.519 -0.117 0.000 1.717 22 W CA 1.753 59.032 57.345 -0.110 0.000 2.126 22 W CB -1.874 27.532 29.460 -0.091 0.000 1.086 22 W HN 0.271 nan 8.180 nan 0.000 0.447 23 L N 0.864 122.289 121.223 0.337 0.000 2.051 23 L HA -0.136 4.204 4.340 -0.001 0.000 0.214 23 L C 2.206 179.049 176.870 -0.045 0.000 1.076 23 L CA 2.942 57.880 54.840 0.162 0.000 0.758 23 L CB -1.399 40.739 42.059 0.133 0.000 0.890 23 L HN 0.785 nan 8.230 nan 0.000 0.433 24 G N -0.262 108.523 108.800 -0.025 0.000 2.685 24 G HA2 -0.407 3.552 3.960 -0.001 0.000 0.329 24 G HA3 -0.407 3.552 3.960 -0.001 0.000 0.329 24 G C 0.436 175.345 174.900 0.016 0.000 1.271 24 G CA 0.740 45.832 45.100 -0.012 0.000 1.003 24 G HN 0.553 nan 8.290 nan 0.000 0.549 25 E N 0.810 121.029 120.200 0.031 0.000 2.499 25 E HA 0.284 4.634 4.350 -0.001 0.000 0.207 25 E C 1.789 178.416 176.600 0.044 0.000 1.034 25 E CA 0.464 56.926 56.400 0.103 0.000 1.098 25 E CB 0.186 30.034 29.700 0.246 0.000 1.148 25 E HN 0.443 nan 8.360 nan 0.000 0.447 26 T N 0.927 115.416 114.554 -0.109 0.000 2.708 26 T HA -0.146 4.203 4.350 -0.001 0.000 0.266 26 T C 1.899 176.544 174.700 -0.092 0.000 1.037 26 T CA 0.968 62.913 62.100 -0.259 0.000 1.146 26 T CB -0.029 68.522 68.868 -0.529 0.000 0.865 26 T HN 0.211 nan 8.240 nan 0.000 0.435 27 L N 1.238 122.438 121.223 -0.039 0.000 2.083 27 L HA -0.077 4.262 4.340 -0.001 0.000 0.209 27 L C 2.618 179.510 176.870 0.036 0.000 1.083 27 L CA 0.982 55.823 54.840 0.003 0.000 0.752 27 L CB -0.724 41.342 42.059 0.012 0.000 0.899 27 L HN 0.252 nan 8.230 nan 0.000 0.433 28 N N -0.046 118.705 118.700 0.086 0.000 2.166 28 N HA -0.223 4.516 4.740 -0.001 0.000 0.186 28 N C 1.881 177.476 175.510 0.142 0.000 1.019 28 N CA 1.562 54.718 53.050 0.177 0.000 0.856 28 N CB -0.242 38.431 38.487 0.310 0.000 0.993 28 N HN 0.258 nan 8.380 nan 0.000 0.426 29 F N 1.893 121.677 119.950 -0.277 0.000 2.163 29 F HA 0.014 4.541 4.527 -0.001 0.000 0.297 29 F C 2.125 177.793 175.800 -0.219 0.000 1.094 29 F CA 0.832 58.447 58.000 -0.642 0.000 1.290 29 F CB -0.241 38.328 39.000 -0.719 0.000 1.017 29 F HN -0.113 nan 8.300 nan 0.000 0.483 30 L N -0.020 121.145 121.223 -0.097 0.000 2.044 30 L HA -0.173 4.166 4.340 -0.001 0.000 0.205 30 L C 2.066 178.879 176.870 -0.097 0.000 1.075 30 L CA 1.222 56.009 54.840 -0.089 0.000 0.747 30 L CB -0.691 41.404 42.059 0.061 0.000 0.903 30 L HN 0.147 nan 8.230 nan 0.000 0.435 31 N N -1.026 117.648 118.700 -0.043 0.000 2.349 31 N HA -0.007 4.732 4.740 -0.001 0.000 0.180 31 N C 0.071 175.571 175.510 -0.017 0.000 1.024 31 N CA 0.409 53.446 53.050 -0.022 0.000 0.869 31 N CB -0.264 38.225 38.487 0.003 0.000 1.022 31 N HN 0.185 nan 8.380 nan 0.000 0.433 32 D N 0.135 120.543 120.400 0.014 0.000 2.424 32 D HA 0.172 4.811 4.640 -0.001 0.000 0.244 32 D C 1.171 177.482 176.300 0.018 0.000 1.134 32 D CA 0.158 54.179 54.000 0.035 0.000 0.881 32 D CB 0.696 41.548 40.800 0.088 0.000 1.191 32 D HN 0.207 nan 8.370 nan 0.000 0.445 33 G N 0.567 109.373 108.800 0.010 0.000 3.233 33 G HA2 -0.081 3.878 3.960 -0.001 0.000 0.227 33 G HA3 -0.081 3.878 3.960 -0.001 0.000 0.227 33 G C 0.705 175.627 174.900 0.036 0.000 1.175 33 G CA -0.165 44.936 45.100 0.002 0.000 0.781 33 G HN 0.297 nan 8.290 nan 0.000 0.542 34 D N -0.840 119.597 120.400 0.062 0.000 2.441 34 D HA 0.084 4.723 4.640 -0.001 0.000 0.210 34 D C 1.566 177.906 176.300 0.067 0.000 1.102 34 D CA -0.766 53.261 54.000 0.046 0.000 0.840 34 D CB 0.158 40.965 40.800 0.011 0.000 0.990 34 D HN 0.134 nan 8.370 nan 0.000 0.505 35 F N 1.377 121.314 119.950 -0.023 0.000 2.063 35 F HA -0.237 4.289 4.527 -0.001 0.000 0.298 35 F C 2.024 177.790 175.800 -0.057 0.000 1.105 35 F CA 2.475 60.463 58.000 -0.020 0.000 1.215 35 F CB -0.337 38.695 39.000 0.053 0.000 0.972 35 F HN 0.028 nan 8.300 nan 0.000 0.483 36 G N -0.384 108.482 108.800 0.109 0.000 2.404 36 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.213 36 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.213 36 G C 1.626 176.487 174.900 -0.065 0.000 1.189 36 G CA 0.689 45.839 45.100 0.083 0.000 0.796 36 G HN 0.368 nan 8.290 nan 0.000 0.532 37 K N 0.567 120.962 120.400 -0.007 0.000 2.044 37 K HA -0.141 4.179 4.320 -0.001 0.000 0.210 37 K C 2.440 178.964 176.600 -0.127 0.000 1.049 37 K CA 1.477 57.746 56.287 -0.030 0.000 0.927 37 K CB -0.177 32.323 32.500 -0.001 0.000 0.713 37 K HN 0.165 nan 8.250 nan 0.000 0.443 38 K N 0.896 121.181 120.400 -0.191 0.000 2.009 38 K HA -0.146 4.174 4.320 -0.001 0.000 0.210 38 K C 2.212 178.583 176.600 -0.382 0.000 1.049 38 K CA 1.627 57.759 56.287 -0.258 0.000 0.929 38 K CB -0.010 32.337 32.500 -0.255 0.000 0.714 38 K HN 0.034 nan 8.250 nan 0.000 0.440 39 R N 0.131 120.275 120.500 -0.594 0.000 2.193 39 R HA -0.038 4.301 4.340 -0.001 0.000 0.213 39 R C 2.287 178.264 176.300 -0.538 0.000 1.055 39 R CA 0.989 56.625 56.100 -0.774 0.000 0.995 39 R CB 0.093 29.358 30.300 -1.726 0.000 0.893 39 R HN 0.286 nan 8.270 nan 0.000 0.459 40 Q N 0.008 119.603 119.800 -0.342 0.000 2.083 40 Q HA -0.155 4.184 4.340 -0.001 0.000 0.198 40 Q C 1.978 177.940 176.000 -0.063 0.000 0.969 40 Q CA 1.184 56.963 55.803 -0.041 0.000 0.838 40 Q CB 0.094 28.875 28.738 0.072 0.000 0.900 40 Q HN 0.414 nan 8.270 nan 0.000 0.436 41 Q N 0.507 120.229 119.800 -0.131 0.000 2.050 41 Q HA -0.227 4.112 4.340 -0.001 0.000 0.202 41 Q C 2.083 177.961 176.000 -0.203 0.000 0.980 41 Q CA 1.474 57.197 55.803 -0.133 0.000 0.840 41 Q CB -0.011 28.646 28.738 -0.135 0.000 0.898 41 Q HN 0.334 nan 8.270 nan 0.000 0.424 42 Q N -0.989 118.595 119.800 -0.360 0.000 2.187 42 Q HA -0.106 4.234 4.340 -0.001 0.000 0.199 42 Q C 0.809 176.409 176.000 -0.667 0.000 0.957 42 Q CA 1.125 56.561 55.803 -0.612 0.000 0.857 42 Q CB 0.321 28.482 28.738 -0.961 0.000 0.929 42 Q HN 0.290 nan 8.270 nan 0.000 0.453 43 F N -1.458 118.414 119.950 -0.130 0.000 2.740 43 F HA 0.414 4.940 4.527 -0.001 0.000 0.304 43 F C 0.877 176.681 175.800 0.007 0.000 1.098 43 F CA 0.553 58.512 58.000 -0.069 0.000 1.258 43 F CB 1.140 40.083 39.000 -0.095 0.000 1.061 43 F HN 0.129 nan 8.300 nan 0.000 0.598 44 G N 1.087 109.988 108.800 0.169 0.000 2.603 44 G HA2 -0.109 3.851 3.960 -0.001 0.000 0.686 44 G HA3 -0.109 3.851 3.960 -0.001 0.000 0.686 44 G C -2.215 172.826 174.900 0.234 0.000 1.286 44 G CA -0.489 44.715 45.100 0.174 0.000 0.871 44 G HN -0.107 nan 8.290 nan 0.000 0.568 45 P HA 0.049 nan 4.420 nan 0.000 0.225 45 P C 0.772 178.222 177.300 0.251 0.000 1.148 45 P CA 1.097 64.343 63.100 0.243 0.000 0.779 45 P CB 0.147 31.970 31.700 0.205 0.000 0.780 46 I N 0.734 121.410 120.570 0.176 0.000 2.437 46 I HA 0.295 4.464 4.170 -0.001 0.000 0.279 46 I C -0.451 175.612 176.117 -0.089 0.000 1.028 46 I CA -1.215 60.093 61.300 0.013 0.000 1.142 46 I CB 0.773 38.738 38.000 -0.059 0.000 1.266 46 I HN -0.209 nan 8.210 nan 0.000 0.461 47 F N 5.103 124.990 119.950 -0.105 0.000 2.563 47 F HA 0.732 5.259 4.527 -0.001 0.000 0.316 47 F C -0.590 175.093 175.800 -0.195 0.000 1.076 47 F CA -1.155 56.720 58.000 -0.208 0.000 0.921 47 F CB 1.217 40.126 39.000 -0.151 0.000 1.209 47 F HN 0.295 nan 8.300 nan 0.000 0.462 48 K N 1.472 121.781 120.400 -0.152 0.000 2.110 48 K HA 0.798 5.117 4.320 -0.001 0.000 0.263 48 K C -0.893 175.638 176.600 -0.115 0.000 0.975 48 K CA -0.475 55.728 56.287 -0.139 0.000 0.895 48 K CB 2.016 34.427 32.500 -0.148 0.000 1.060 48 K HN 0.919 nan 8.250 nan 0.000 0.448 49 T N 0.115 114.671 114.554 0.005 0.000 2.647 49 T HA 0.399 4.748 4.350 -0.001 0.000 0.295 49 T C -1.719 173.074 174.700 0.155 0.000 1.126 49 T CA -1.038 61.101 62.100 0.065 0.000 1.040 49 T CB 1.433 70.421 68.868 0.199 0.000 1.472 49 T HN 0.715 nan 8.240 nan 0.000 0.500 50 R N 1.710 122.293 120.500 0.140 0.000 2.514 50 R HA 0.698 5.037 4.340 -0.001 0.000 0.296 50 R C -1.799 174.435 176.300 -0.109 0.000 1.012 50 R CA -0.563 55.539 56.100 0.002 0.000 0.897 50 R CB 0.707 31.006 30.300 -0.002 0.000 1.184 50 R HN 0.570 nan 8.270 nan 0.000 0.440 51 L N 4.823 125.925 121.223 -0.202 0.000 2.422 51 L HA 0.549 4.889 4.340 -0.001 0.000 0.264 51 L C -0.281 176.366 176.870 -0.372 0.000 0.984 51 L CA -1.001 53.648 54.840 -0.318 0.000 0.819 51 L CB 1.790 43.719 42.059 -0.217 0.000 1.330 51 L HN 0.674 nan 8.230 nan 0.000 0.410 52 F N 1.805 121.408 119.950 -0.579 0.000 3.019 52 F HA -0.237 4.289 4.527 -0.001 0.000 0.259 52 F C 1.502 176.402 175.800 -1.501 0.000 0.976 52 F CA 1.039 58.478 58.000 -0.935 0.000 0.876 52 F CB -1.748 36.950 39.000 -0.504 0.000 0.784 52 F HN 0.934 nan 8.300 nan 0.000 0.786 53 G N -1.391 106.416 108.800 -1.656 0.000 2.179 53 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.260 53 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.260 53 G C 0.274 174.745 174.900 -0.714 0.000 0.977 53 G CA 0.250 44.422 45.100 -1.548 0.000 0.641 53 G HN 0.351 nan 8.290 nan 0.000 0.533 54 K N 0.761 120.835 120.400 -0.544 0.000 2.221 54 K HA 0.390 4.710 4.320 -0.001 0.000 0.258 54 K C -0.277 176.065 176.600 -0.431 0.000 0.944 54 K CA -0.974 55.064 56.287 -0.415 0.000 0.823 54 K CB 1.064 33.381 32.500 -0.304 0.000 1.113 54 K HN 0.155 nan 8.250 nan 0.000 0.431 55 N N 1.399 119.728 118.700 -0.619 0.000 2.475 55 N HA 0.134 4.874 4.740 -0.001 0.000 0.267 55 N C -0.454 174.755 175.510 -0.501 0.000 1.169 55 N CA -0.093 52.487 53.050 -0.783 0.000 0.947 55 N CB 0.767 38.188 38.487 -1.777 0.000 1.061 55 N HN 0.144 nan 8.380 nan 0.000 0.466 56 V N 3.197 123.002 119.914 -0.182 0.000 2.656 56 V HA 0.469 4.588 4.120 -0.001 0.000 0.307 56 V C 0.305 176.464 176.094 0.109 0.000 1.051 56 V CA -0.797 61.522 62.300 0.030 0.000 0.893 56 V CB 1.840 33.775 31.823 0.187 0.000 0.999 56 V HN 0.450 nan 8.190 nan 0.000 0.426 57 I N 4.104 124.707 120.570 0.054 0.000 2.336 57 I HA 0.438 4.607 4.170 -0.001 0.000 0.292 57 I C -0.739 175.316 176.117 -0.103 0.000 0.991 57 I CA -0.120 61.123 61.300 -0.093 0.000 1.227 57 I CB 1.202 38.949 38.000 -0.421 0.000 1.366 57 I HN 0.441 nan 8.210 nan 0.000 0.466 58 F N 7.058 126.648 119.950 -0.599 0.000 2.410 58 F HA 0.553 5.079 4.527 -0.001 0.000 0.349 58 F C 0.397 175.938 175.800 -0.432 0.000 1.117 58 F CA -0.742 56.879 58.000 -0.631 0.000 1.104 58 F CB 1.175 39.447 39.000 -1.214 0.000 1.122 58 F HN 0.293 nan 8.300 nan 0.000 0.483 59 I N 0.433 120.957 120.570 -0.077 0.000 2.934 59 I HA 0.887 5.057 4.170 -0.001 0.000 0.306 59 I C -0.868 175.288 176.117 0.065 0.000 1.110 59 I CA -0.674 60.657 61.300 0.051 0.000 1.019 59 I CB 2.413 40.474 38.000 0.102 0.000 1.227 59 I HN 0.522 nan 8.210 nan 0.000 0.434 60 S N 1.872 117.651 115.700 0.132 0.000 2.615 60 S HA 0.971 5.441 4.470 -0.001 0.000 0.269 60 S C -0.311 174.393 174.600 0.173 0.000 1.161 60 S CA -0.225 58.063 58.200 0.146 0.000 0.817 60 S CB 1.151 64.462 63.200 0.183 0.000 1.131 60 S HN 2.410 nan 8.310 nan 0.000 0.467 61 G N -0.080 108.833 108.800 0.188 0.000 2.612 61 G HA2 0.461 4.420 3.960 -0.001 0.000 0.686 61 G HA3 0.461 4.420 3.960 -0.001 0.000 0.686 61 G C 0.584 175.606 174.900 0.203 0.000 1.274 61 G CA -0.135 45.086 45.100 0.203 0.000 0.849 61 G HN 1.842 nan 8.290 nan 0.000 0.595 62 A N -0.464 122.484 122.820 0.213 0.000 1.930 62 A HA 0.259 4.578 4.320 -0.001 0.000 0.217 62 A C 2.641 180.370 177.584 0.241 0.000 1.175 62 A CA 2.146 54.331 52.037 0.245 0.000 0.627 62 A CB -0.366 18.758 19.000 0.207 0.000 0.815 62 A HN 1.065 nan 8.150 nan 0.000 0.443 63 L N -0.730 120.625 121.223 0.219 0.000 2.017 63 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 63 L C 3.134 180.174 176.870 0.284 0.000 1.073 63 L CA 1.057 56.053 54.840 0.258 0.000 0.745 63 L CB -0.600 41.606 42.059 0.244 0.000 0.894 63 L HN 0.432 nan 8.230 nan 0.000 0.432 64 A N 0.514 123.482 122.820 0.246 0.000 1.865 64 A HA -0.241 4.079 4.320 -0.001 0.000 0.217 64 A C 2.055 179.492 177.584 -0.245 0.000 1.191 64 A CA 2.155 54.183 52.037 -0.015 0.000 0.623 64 A CB -0.676 18.352 19.000 0.047 0.000 0.826 64 A HN 0.463 nan 8.150 nan 0.000 0.444 65 N N -0.602 117.966 118.700 -0.220 0.000 2.166 65 N HA -0.151 4.588 4.740 -0.001 0.000 0.186 65 N C 1.787 176.838 175.510 -0.765 0.000 1.019 65 N CA 1.395 54.095 53.050 -0.583 0.000 0.856 65 N CB -0.483 37.922 38.487 -0.137 0.000 0.993 65 N HN 0.612 nan 8.380 nan 0.000 0.426 66 R N -0.117 120.241 120.500 -0.236 0.000 2.096 66 R HA -0.097 4.242 4.340 -0.001 0.000 0.235 66 R C 2.030 178.230 176.300 -0.167 0.000 1.127 66 R CA 0.969 57.019 56.100 -0.084 0.000 0.968 66 R CB -0.330 30.134 30.300 0.273 0.000 0.861 66 R HN 0.175 nan 8.270 nan 0.000 0.440 67 F N 0.383 120.130 119.950 -0.339 0.000 2.146 67 F HA -0.122 4.404 4.527 -0.001 0.000 0.298 67 F C 1.562 177.055 175.800 -0.512 0.000 1.096 67 F CA 1.113 58.889 58.000 -0.374 0.000 1.275 67 F CB -0.187 38.402 39.000 -0.685 0.000 1.008 67 F HN -0.004 nan 8.300 nan 0.000 0.480 68 L N -0.870 119.766 121.223 -0.977 0.000 2.109 68 L HA -0.092 4.247 4.340 -0.001 0.000 0.207 68 L C 1.207 177.389 176.870 -1.145 0.000 1.086 68 L CA 1.480 55.438 54.840 -1.470 0.000 0.760 68 L CB -0.815 40.256 42.059 -1.647 0.000 0.910 68 L HN 0.051 nan 8.230 nan 0.000 0.437 69 F N -1.828 117.693 119.950 -0.714 0.000 2.684 69 F HA 0.326 4.853 4.527 -0.001 0.000 0.298 69 F C 0.508 176.107 175.800 -0.336 0.000 1.120 69 F CA -0.541 57.094 58.000 -0.607 0.000 1.332 69 F CB -0.703 37.743 39.000 -0.925 0.000 0.986 69 F HN -0.224 nan 8.300 nan 0.000 0.524 70 T N -0.397 114.078 114.554 -0.130 0.000 2.909 70 T HA 0.528 4.877 4.350 -0.001 0.000 0.299 70 T C 0.216 174.905 174.700 -0.019 0.000 1.073 70 T CA -0.492 61.601 62.100 -0.012 0.000 0.999 70 T CB 1.829 70.723 68.868 0.043 0.000 1.098 70 T HN 0.137 nan 8.240 nan 0.000 0.477 71 K N 1.495 121.904 120.400 0.014 0.000 3.278 71 K HA -0.230 4.089 4.320 -0.001 0.000 0.270 71 K C 0.626 177.231 176.600 0.008 0.000 0.955 71 K CA 2.040 58.330 56.287 0.006 0.000 0.723 71 K CB -2.794 29.705 32.500 -0.003 0.000 1.382 71 K HN 0.894 nan 8.250 nan 0.000 0.461 72 E N -0.782 119.439 120.200 0.034 0.000 2.102 72 E HA -0.086 4.264 4.350 -0.001 0.000 0.190 72 E C 2.226 178.865 176.600 0.065 0.000 0.971 72 E CA 0.740 57.193 56.400 0.088 0.000 0.821 72 E CB 0.150 29.881 29.700 0.052 0.000 0.777 72 E HN 0.797 nan 8.360 nan 0.000 0.460 73 Q N 0.260 120.076 119.800 0.028 0.000 2.119 73 Q HA -0.189 4.150 4.340 -0.001 0.000 0.201 73 Q C 1.952 177.941 176.000 -0.018 0.000 0.972 73 Q CA 1.868 57.679 55.803 0.014 0.000 0.847 73 Q CB 0.102 28.851 28.738 0.017 0.000 0.903 73 Q HN 0.277 nan 8.270 nan 0.000 0.433 74 E N -0.727 119.450 120.200 -0.038 0.000 2.435 74 E HA -0.049 4.300 4.350 -0.001 0.000 0.195 74 E C 1.303 177.819 176.600 -0.141 0.000 1.029 74 E CA 1.288 57.648 56.400 -0.068 0.000 0.865 74 E CB -0.076 29.592 29.700 -0.053 0.000 0.833 74 E HN 0.569 nan 8.360 nan 0.000 0.510 75 T N -1.779 112.642 114.554 -0.220 0.000 3.010 75 T HA 0.368 4.717 4.350 -0.001 0.000 0.252 75 T C -0.158 174.116 174.700 -0.710 0.000 0.963 75 T CA -0.242 61.547 62.100 -0.519 0.000 0.952 75 T CB 0.259 68.658 68.868 -0.783 0.000 1.182 75 T HN 0.245 nan 8.240 nan 0.000 0.495 76 F N 2.153 122.027 119.950 -0.126 0.000 2.499 76 F HA 0.569 5.096 4.527 -0.001 0.000 0.333 76 F C -0.078 175.667 175.800 -0.093 0.000 1.138 76 F CA -1.274 56.652 58.000 -0.123 0.000 0.945 76 F CB 1.852 40.741 39.000 -0.184 0.000 1.181 76 F HN -0.085 nan 8.300 nan 0.000 0.435 77 Q N 2.967 122.819 119.800 0.087 0.000 2.340 77 Q HA 0.714 5.053 4.340 -0.001 0.000 0.259 77 Q C -0.424 175.580 176.000 0.006 0.000 0.964 77 Q CA -0.698 55.121 55.803 0.026 0.000 0.900 77 Q CB 1.396 30.137 28.738 0.005 0.000 1.228 77 Q HN 0.828 nan 8.270 nan 0.000 0.449 78 A N 3.516 126.308 122.820 -0.047 0.000 2.531 78 A HA 0.406 4.726 4.320 -0.001 0.000 0.236 78 A C 0.096 177.603 177.584 -0.128 0.000 1.062 78 A CA 0.474 52.441 52.037 -0.116 0.000 0.760 78 A CB 0.764 19.666 19.000 -0.163 0.000 0.995 78 A HN 0.762 nan 8.150 nan 0.000 0.501 79 T N 0.443 114.862 114.554 -0.224 0.000 2.769 79 T HA 0.591 4.940 4.350 -0.001 0.000 0.306 79 T C -1.833 172.631 174.700 -0.394 0.000 1.400 79 T CA -0.414 61.574 62.100 -0.187 0.000 1.007 79 T CB 0.553 69.361 68.868 -0.100 0.000 1.392 79 T HN 0.695 nan 8.240 nan 0.000 0.500 80 W N 0.848 122.089 121.300 -0.098 0.000 3.029 80 W HA 0.568 5.228 4.660 -0.001 0.000 0.339 80 W C -2.420 173.808 176.519 -0.485 0.000 1.198 80 W CA -2.071 55.134 57.345 -0.232 0.000 1.148 80 W CB 1.036 30.402 29.460 -0.157 0.000 1.451 80 W HN 0.504 nan 8.180 nan 0.000 0.564 81 P HA -0.093 nan 4.420 nan 0.000 0.268 81 P C 0.769 177.769 177.300 -0.499 0.000 1.208 81 P CA -0.037 62.580 63.100 -0.806 0.000 0.777 81 P CB 0.572 31.301 31.700 -1.618 0.000 0.875 82 L N 3.247 124.262 121.223 -0.346 0.000 2.013 82 L HA -0.263 4.076 4.340 -0.001 0.000 0.212 82 L C 2.159 178.921 176.870 -0.180 0.000 1.073 82 L CA 2.750 57.497 54.840 -0.154 0.000 0.753 82 L CB -1.559 40.507 42.059 0.011 0.000 0.890 82 L HN 0.471 nan 8.230 nan 0.000 0.432 83 S N -2.620 112.919 115.700 -0.269 0.000 2.382 83 S HA -0.189 4.281 4.470 -0.001 0.000 0.228 83 S C 1.844 176.352 174.600 -0.153 0.000 1.027 83 S CA 1.496 59.561 58.200 -0.225 0.000 0.991 83 S CB -1.248 61.792 63.200 -0.267 0.000 0.823 83 S HN 0.576 nan 8.310 nan 0.000 0.469 84 T N 2.455 116.752 114.554 -0.428 0.000 2.708 84 T HA -0.025 4.324 4.350 -0.001 0.000 0.266 84 T C 2.012 176.542 174.700 -0.282 0.000 1.037 84 T CA 1.411 63.192 62.100 -0.532 0.000 1.146 84 T CB -0.296 68.097 68.868 -0.792 0.000 0.865 84 T HN 0.455 nan 8.240 nan 0.000 0.435 85 R N 0.371 120.775 120.500 -0.160 0.000 2.096 85 R HA 0.041 4.381 4.340 -0.001 0.000 0.235 85 R C 2.475 178.764 176.300 -0.018 0.000 1.127 85 R CA 1.123 57.195 56.100 -0.047 0.000 0.968 85 R CB -0.575 29.716 30.300 -0.015 0.000 0.861 85 R HN 0.399 nan 8.270 nan 0.000 0.440 86 I N 0.840 121.414 120.570 0.007 0.000 2.142 86 I HA -0.300 3.870 4.170 -0.001 0.000 0.240 86 I C 2.171 178.311 176.117 0.039 0.000 1.078 86 I CA 1.448 62.792 61.300 0.074 0.000 1.343 86 I CB -0.171 37.973 38.000 0.240 0.000 1.046 86 I HN 0.131 nan 8.210 nan 0.000 0.405 87 L N -0.177 121.045 121.223 -0.001 0.000 2.240 87 L HA -0.118 4.221 4.340 -0.001 0.000 0.211 87 L C 2.359 179.270 176.870 0.069 0.000 1.106 87 L CA 0.663 55.491 54.840 -0.020 0.000 0.793 87 L CB -0.258 41.649 42.059 -0.254 0.000 0.927 87 L HN 0.255 nan 8.230 nan 0.000 0.446 88 L N -0.376 120.836 121.223 -0.018 0.000 2.109 88 L HA 0.070 4.409 4.340 -0.001 0.000 0.207 88 L C 1.062 177.959 176.870 0.044 0.000 1.086 88 L CA 0.673 55.527 54.840 0.022 0.000 0.760 88 L CB -0.707 41.334 42.059 -0.030 0.000 0.910 88 L HN 0.408 nan 8.230 nan 0.000 0.437 89 G N -0.808 108.009 108.800 0.029 0.000 2.692 89 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.686 89 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.686 89 G C -2.351 172.572 174.900 0.039 0.000 1.243 89 G CA -0.367 44.749 45.100 0.028 0.000 0.782 89 G HN 0.013 nan 8.290 nan 0.000 0.625 90 P HA 0.062 nan 4.420 nan 0.000 0.245 90 P C 0.616 177.946 177.300 0.051 0.000 1.212 90 P CA 0.630 63.755 63.100 0.043 0.000 0.774 90 P CB 0.193 31.913 31.700 0.032 0.000 0.999 91 N N -0.196 118.533 118.700 0.048 0.000 2.338 91 N HA 0.262 5.001 4.740 -0.001 0.000 0.251 91 N C 0.039 175.588 175.510 0.064 0.000 1.199 91 N CA -0.112 52.970 53.050 0.052 0.000 0.879 91 N CB 0.965 39.474 38.487 0.037 0.000 1.159 91 N HN 0.078 nan 8.380 nan 0.000 0.514 92 A N 0.181 123.050 122.820 0.082 0.000 2.320 92 A HA 0.391 4.711 4.320 -0.001 0.000 0.334 92 A C 1.305 178.970 177.584 0.135 0.000 1.147 92 A CA -0.540 51.556 52.037 0.100 0.000 0.820 92 A CB 1.069 20.131 19.000 0.104 0.000 1.218 92 A HN 0.139 nan 8.150 nan 0.000 0.482 93 L N 2.237 123.548 121.223 0.146 0.000 2.021 93 L HA -0.227 4.113 4.340 -0.001 0.000 0.215 93 L C 2.568 179.601 176.870 0.273 0.000 1.074 93 L CA 3.161 58.127 54.840 0.210 0.000 0.760 93 L CB -0.672 41.493 42.059 0.177 0.000 0.889 93 L HN 0.826 nan 8.230 nan 0.000 0.433 94 A N -1.958 121.011 122.820 0.248 0.000 2.076 94 A HA -0.200 4.119 4.320 -0.001 0.000 0.220 94 A C 2.139 179.911 177.584 0.314 0.000 1.160 94 A CA 2.187 54.420 52.037 0.327 0.000 0.653 94 A CB -1.035 18.153 19.000 0.314 0.000 0.801 94 A HN 0.656 nan 8.150 nan 0.000 0.455 95 T N -3.598 111.083 114.554 0.212 0.000 3.023 95 T HA 0.264 4.614 4.350 -0.001 0.000 0.253 95 T C 0.673 175.439 174.700 0.111 0.000 1.038 95 T CA -0.181 62.018 62.100 0.164 0.000 0.962 95 T CB 0.002 68.945 68.868 0.124 0.000 1.018 95 T HN 0.480 nan 8.240 nan 0.000 0.521 96 Q N 0.874 120.751 119.800 0.128 0.000 2.312 96 Q HA 0.568 4.907 4.340 -0.001 0.000 0.236 96 Q C -0.589 175.465 176.000 0.090 0.000 0.965 96 Q CA -0.382 55.495 55.803 0.123 0.000 0.894 96 Q CB 0.812 29.648 28.738 0.162 0.000 1.225 96 Q HN 0.229 nan 8.270 nan 0.000 0.478 97 M N 0.186 119.841 119.600 0.091 0.000 2.619 97 M HA 0.392 4.871 4.480 -0.001 0.000 0.297 97 M C 0.657 177.015 176.300 0.097 0.000 1.229 97 M CA -0.358 54.973 55.300 0.052 0.000 0.860 97 M CB 0.887 33.503 32.600 0.026 0.000 1.741 97 M HN 0.826 nan 8.290 nan 0.000 0.462 98 G N 1.424 110.272 108.800 0.081 0.000 2.702 98 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.342 98 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.342 98 G C 0.942 175.907 174.900 0.108 0.000 1.258 98 G CA 1.281 46.433 45.100 0.086 0.000 0.990 98 G HN 0.837 nan 8.290 nan 0.000 0.548 99 E N 0.078 120.321 120.200 0.072 0.000 2.085 99 E HA -0.083 4.267 4.350 -0.001 0.000 0.194 99 E C 2.796 179.433 176.600 0.061 0.000 0.994 99 E CA 1.387 57.821 56.400 0.057 0.000 0.801 99 E CB -0.164 29.560 29.700 0.041 0.000 0.743 99 E HN 0.594 nan 8.360 nan 0.000 0.453 100 I N 0.290 120.905 120.570 0.075 0.000 2.163 100 I HA -0.296 3.873 4.170 -0.001 0.000 0.240 100 I C 2.681 178.857 176.117 0.097 0.000 1.081 100 I CA 1.323 62.669 61.300 0.076 0.000 1.353 100 I CB -0.567 37.479 38.000 0.077 0.000 1.054 100 I HN 0.306 nan 8.210 nan 0.000 0.407 101 H N 1.862 120.956 119.070 0.039 0.000 2.289 101 H HA -0.233 4.322 4.556 -0.001 0.000 0.294 101 H C 2.538 177.889 175.328 0.038 0.000 1.095 101 H CA 2.093 58.167 56.048 0.044 0.000 1.256 101 H CB 0.062 29.852 29.762 0.046 0.000 1.359 101 H HN 0.190 nan 8.280 nan 0.000 0.487 102 R N 0.150 120.643 120.500 -0.012 0.000 2.115 102 R HA -0.163 4.177 4.340 -0.001 0.000 0.239 102 R C 2.913 179.172 176.300 -0.069 0.000 1.133 102 R CA 2.474 58.538 56.100 -0.059 0.000 0.935 102 R CB -0.215 30.092 30.300 0.011 0.000 0.853 102 R HN 0.435 nan 8.270 nan 0.000 0.433 103 S N 0.517 116.203 115.700 -0.022 0.000 2.356 103 S HA -0.095 4.375 4.470 -0.001 0.000 0.223 103 S C 1.831 176.422 174.600 -0.016 0.000 1.032 103 S CA 0.845 59.039 58.200 -0.009 0.000 1.005 103 S CB -0.245 62.961 63.200 0.011 0.000 0.867 103 S HN 0.203 nan 8.310 nan 0.000 0.449 104 R N 1.317 121.801 120.500 -0.026 0.000 2.092 104 R HA 0.207 4.546 4.340 -0.001 0.000 0.231 104 R C 2.363 178.642 176.300 -0.036 0.000 1.119 104 R CA 0.618 56.710 56.100 -0.014 0.000 0.970 104 R CB -0.845 29.464 30.300 0.015 0.000 0.864 104 R HN 0.319 nan 8.270 nan 0.000 0.440 105 R N 1.677 122.092 120.500 -0.141 0.000 2.096 105 R HA -0.163 4.176 4.340 -0.001 0.000 0.240 105 R C 2.108 178.404 176.300 -0.007 0.000 1.139 105 R CA 1.746 57.764 56.100 -0.136 0.000 0.952 105 R CB -0.520 29.616 30.300 -0.273 0.000 0.854 105 R HN 0.393 nan 8.270 nan 0.000 0.436 106 K N 0.532 120.928 120.400 -0.007 0.000 2.057 106 K HA -0.111 4.208 4.320 -0.001 0.000 0.206 106 K C 2.202 178.865 176.600 0.105 0.000 1.050 106 K CA 1.501 57.820 56.287 0.054 0.000 0.935 106 K CB -0.367 32.149 32.500 0.026 0.000 0.715 106 K HN 0.130 nan 8.250 nan 0.000 0.439 107 I N 1.671 122.279 120.570 0.065 0.000 2.142 107 I HA -0.271 3.899 4.170 -0.001 0.000 0.240 107 I C 2.542 178.707 176.117 0.080 0.000 1.078 107 I CA 1.142 62.477 61.300 0.059 0.000 1.343 107 I CB -0.216 37.805 38.000 0.034 0.000 1.046 107 I HN 0.099 nan 8.210 nan 0.000 0.405 108 L N -0.686 120.597 121.223 0.101 0.000 2.131 108 L HA -0.253 4.087 4.340 -0.001 0.000 0.210 108 L C 2.624 179.646 176.870 0.253 0.000 1.092 108 L CA 1.078 56.003 54.840 0.140 0.000 0.759 108 L CB -0.678 41.472 42.059 0.151 0.000 0.903 108 L HN 0.298 nan 8.230 nan 0.000 0.435 109 Y N 1.288 121.670 120.300 0.137 0.000 2.256 109 Y HA -0.296 4.253 4.550 -0.001 0.000 0.288 109 Y C 2.629 178.610 175.900 0.135 0.000 1.155 109 Y CA 1.345 59.556 58.100 0.185 0.000 1.203 109 Y CB -0.226 38.289 38.460 0.091 0.000 0.980 109 Y HN 0.239 nan 8.280 nan 0.000 0.530 110 Q N 0.042 119.808 119.800 -0.057 0.000 2.248 110 Q HA -0.174 4.166 4.340 -0.001 0.000 0.208 110 Q C 2.451 178.314 176.000 -0.227 0.000 0.984 110 Q CA 1.388 57.087 55.803 -0.172 0.000 0.875 110 Q CB -0.978 27.718 28.738 -0.071 0.000 0.910 110 Q HN 0.626 nan 8.270 nan 0.000 0.433 111 A N -0.589 122.075 122.820 -0.260 0.000 2.119 111 A HA -0.022 4.297 4.320 -0.001 0.000 0.217 111 A C 0.875 178.070 177.584 -0.648 0.000 1.153 111 A CA 0.605 52.361 52.037 -0.468 0.000 0.692 111 A CB -0.217 18.360 19.000 -0.706 0.000 0.799 111 A HN 0.276 nan 8.150 nan 0.000 0.458 112 F N -0.709 119.196 119.950 -0.076 0.000 2.735 112 F HA 0.385 4.911 4.527 -0.001 0.000 0.308 112 F C 0.131 175.776 175.800 -0.259 0.000 1.112 112 F CA -0.737 57.238 58.000 -0.042 0.000 1.235 112 F CB -0.110 38.946 39.000 0.093 0.000 1.027 112 F HN -0.099 nan 8.300 nan 0.000 0.528 113 L N 2.504 123.515 121.223 -0.354 0.000 2.485 113 L HA 0.048 4.387 4.340 -0.001 0.000 0.275 113 L C -1.025 175.749 176.870 -0.159 0.000 1.207 113 L CA -1.303 53.326 54.840 -0.351 0.000 0.855 113 L CB 0.433 42.291 42.059 -0.335 0.000 1.114 113 L HN -0.085 nan 8.230 nan 0.000 0.485 114 P HA -0.242 nan 4.420 nan 0.000 0.217 114 P C 1.491 178.734 177.300 -0.094 0.000 1.158 114 P CA 1.400 64.472 63.100 -0.047 0.000 0.887 114 P CB -0.010 31.682 31.700 -0.013 0.000 0.792 115 R N -0.820 119.615 120.500 -0.107 0.000 2.081 115 R HA -0.112 4.228 4.340 -0.001 0.000 0.235 115 R C 1.823 178.007 176.300 -0.193 0.000 1.131 115 R CA 2.188 58.216 56.100 -0.120 0.000 0.960 115 R CB -0.966 29.275 30.300 -0.097 0.000 0.856 115 R HN 0.130 nan 8.270 nan 0.000 0.436 116 T N 1.720 116.119 114.554 -0.259 0.000 2.777 116 T HA -0.058 4.292 4.350 -0.001 0.000 0.266 116 T C 1.854 176.100 174.700 -0.757 0.000 1.040 116 T CA 1.309 63.149 62.100 -0.433 0.000 1.141 116 T CB -0.113 68.524 68.868 -0.385 0.000 0.868 116 T HN 0.181 nan 8.240 nan 0.000 0.444 117 L N 0.910 121.835 121.223 -0.495 0.000 2.042 117 L HA -0.141 4.199 4.340 -0.001 0.000 0.210 117 L C 2.420 179.145 176.870 -0.242 0.000 1.076 117 L CA 1.260 55.889 54.840 -0.352 0.000 0.749 117 L CB -0.717 41.328 42.059 -0.025 0.000 0.893 117 L HN 0.152 nan 8.230 nan 0.000 0.432 118 D N -0.194 120.096 120.400 -0.184 0.000 2.123 118 D HA -0.194 4.445 4.640 -0.001 0.000 0.196 118 D C 2.404 178.639 176.300 -0.108 0.000 0.992 118 D CA 1.717 55.651 54.000 -0.111 0.000 0.833 118 D CB -0.162 40.586 40.800 -0.087 0.000 0.954 118 D HN 0.337 nan 8.370 nan 0.000 0.455 119 S N -0.527 115.066 115.700 -0.178 0.000 2.442 119 S HA -0.193 4.277 4.470 -0.001 0.000 0.236 119 S C 1.781 176.389 174.600 0.012 0.000 1.007 119 S CA 0.580 58.713 58.200 -0.111 0.000 0.965 119 S CB -0.575 62.540 63.200 -0.143 0.000 0.773 119 S HN 0.217 nan 8.310 nan 0.000 0.504 120 Y N 1.565 121.851 120.300 -0.023 0.000 2.509 120 Y HA 0.297 4.846 4.550 -0.001 0.000 0.293 120 Y C 2.080 177.949 175.900 -0.051 0.000 1.133 120 Y CA -0.791 57.292 58.100 -0.029 0.000 1.283 120 Y CB -0.922 37.541 38.460 0.005 0.000 1.001 120 Y HN 0.251 nan 8.280 nan 0.000 0.555 121 L N 0.107 121.383 121.223 0.088 0.000 1.990 121 L HA -0.225 4.115 4.340 -0.001 0.000 0.213 121 L C -0.230 176.648 176.870 0.013 0.000 1.072 121 L CA 1.737 56.592 54.840 0.025 0.000 0.755 121 L CB -1.564 40.495 42.059 0.000 0.000 0.889 121 L HN 0.176 nan 8.230 nan 0.000 0.432 122 P HA -0.183 nan 4.420 nan 0.000 0.215 122 P C 1.348 178.648 177.300 0.000 0.000 1.157 122 P CA 1.427 64.529 63.100 0.004 0.000 0.868 122 P CB 0.028 31.731 31.700 0.005 0.000 0.788 123 K N -1.020 119.383 120.400 0.004 0.000 2.026 123 K HA -0.140 4.179 4.320 -0.001 0.000 0.208 123 K C 2.241 178.825 176.600 -0.026 0.000 1.048 123 K CA 1.497 57.775 56.287 -0.015 0.000 0.929 123 K CB -0.559 31.927 32.500 -0.024 0.000 0.713 123 K HN 0.128 nan 8.250 nan 0.000 0.439 124 M N 1.020 120.604 119.600 -0.027 0.000 2.086 124 M HA -0.225 4.254 4.480 -0.001 0.000 0.261 124 M C 1.679 177.966 176.300 -0.022 0.000 1.067 124 M CA 1.911 57.183 55.300 -0.046 0.000 1.116 124 M CB -0.136 32.421 32.600 -0.072 0.000 1.348 124 M HN 0.015 nan 8.290 nan 0.000 0.407 125 D N -0.314 120.079 120.400 -0.013 0.000 2.144 125 D HA -0.099 4.541 4.640 -0.001 0.000 0.199 125 D C 1.867 178.168 176.300 0.000 0.000 0.984 125 D CA 1.664 55.663 54.000 -0.002 0.000 0.834 125 D CB -0.448 40.350 40.800 -0.004 0.000 0.955 125 D HN 0.510 nan 8.370 nan 0.000 0.465 126 G N 0.542 109.338 108.800 -0.006 0.000 2.491 126 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.218 126 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.218 126 G C 1.847 176.745 174.900 -0.004 0.000 1.180 126 G CA 1.045 46.138 45.100 -0.011 0.000 0.774 126 G HN 0.383 nan 8.290 nan 0.000 0.562 127 I N 0.061 120.637 120.570 0.009 0.000 2.202 127 I HA -0.128 4.042 4.170 -0.001 0.000 0.242 127 I C 2.816 178.998 176.117 0.108 0.000 1.091 127 I CA 0.420 61.754 61.300 0.056 0.000 1.368 127 I CB -0.397 37.631 38.000 0.047 0.000 1.058 127 I HN 0.029 nan 8.210 nan 0.000 0.410 128 V N 0.538 120.494 119.914 0.071 0.000 2.287 128 V HA -0.304 3.816 4.120 -0.001 0.000 0.248 128 V C 2.543 178.669 176.094 0.053 0.000 1.053 128 V CA 1.776 64.134 62.300 0.097 0.000 1.027 128 V CB -0.697 31.196 31.823 0.116 0.000 0.646 128 V HN 0.471 nan 8.190 nan 0.000 0.447 129 Q N -0.087 119.728 119.800 0.025 0.000 2.170 129 Q HA -0.140 4.200 4.340 -0.001 0.000 0.203 129 Q C 2.356 178.329 176.000 -0.045 0.000 0.976 129 Q CA 1.758 57.564 55.803 0.005 0.000 0.858 129 Q CB -0.629 28.111 28.738 0.003 0.000 0.907 129 Q HN 0.726 nan 8.270 nan 0.000 0.433 130 G N -0.719 108.036 108.800 -0.076 0.000 2.394 130 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.215 130 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.215 130 G C 1.140 175.825 174.900 -0.357 0.000 1.165 130 G CA 0.292 45.284 45.100 -0.179 0.000 0.784 130 G HN 0.286 nan 8.290 nan 0.000 0.535 131 Y N 0.571 120.605 120.300 -0.443 0.000 2.163 131 Y HA 0.030 4.580 4.550 0.001 0.000 0.288 131 Y C 2.808 177.943 175.900 -1.276 0.000 1.136 131 Y CA 0.929 58.458 58.100 -0.953 0.000 1.147 131 Y CB -0.208 37.602 38.460 -1.084 0.000 0.987 131 Y HN 0.055 nan 8.280 nan 0.000 0.509 132 L N -0.188 120.716 121.223 -0.533 0.000 2.012 132 L HA -0.265 4.075 4.340 -0.001 0.000 0.210 132 L C 2.497 179.366 176.870 -0.000 0.000 1.073 132 L CA 1.866 56.639 54.840 -0.111 0.000 0.748 132 L CB -0.634 41.555 42.059 0.217 0.000 0.891 132 L HN 0.265 nan 8.230 nan 0.000 0.431 133 E N 0.051 120.251 120.200 0.001 0.000 2.086 133 E HA -0.353 3.997 4.350 -0.001 0.000 0.200 133 E C 2.197 178.782 176.600 -0.025 0.000 1.012 133 E CA 1.964 58.389 56.400 0.041 0.000 0.812 133 E CB -0.089 29.595 29.700 -0.027 0.000 0.743 133 E HN 0.480 nan 8.360 nan 0.000 0.453 134 Q N -0.366 119.324 119.800 -0.182 0.000 2.030 134 Q HA -0.186 4.153 4.340 -0.001 0.000 0.204 134 Q C 1.936 177.930 176.000 -0.011 0.000 0.986 134 Q CA 1.973 57.678 55.803 -0.164 0.000 0.843 134 Q CB -0.246 28.291 28.738 -0.334 0.000 0.904 134 Q HN 0.447 nan 8.270 nan 0.000 0.420 135 W N -0.198 121.053 121.300 -0.083 0.000 2.364 135 W HA 0.004 4.663 4.660 -0.002 0.000 0.281 135 W C 2.125 178.476 176.519 -0.280 0.000 1.219 135 W CA 1.023 58.242 57.345 -0.211 0.000 1.220 135 W CB -1.146 28.138 29.460 -0.294 0.000 1.127 135 W HN 0.383 nan 8.180 nan 0.000 0.556 136 G N 0.407 109.214 108.800 0.012 0.000 2.421 136 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.217 136 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.217 136 G C 1.619 176.593 174.900 0.124 0.000 1.143 136 G CA 0.683 45.853 45.100 0.117 0.000 0.784 136 G HN 0.230 nan 8.290 nan 0.000 0.541 137 K N 0.476 120.927 120.400 0.085 0.000 2.167 137 K HA 0.286 4.606 4.320 -0.001 0.000 0.203 137 K C 1.576 178.200 176.600 0.040 0.000 1.052 137 K CA 0.360 56.682 56.287 0.059 0.000 0.956 137 K CB 0.053 32.574 32.500 0.034 0.000 0.735 137 K HN 0.308 nan 8.250 nan 0.000 0.451 138 A N 1.462 124.302 122.820 0.032 0.000 2.346 138 A HA 0.038 4.357 4.320 -0.001 0.000 0.252 138 A C 0.752 178.331 177.584 -0.009 0.000 1.089 138 A CA -0.170 51.874 52.037 0.011 0.000 0.797 138 A CB 0.323 19.331 19.000 0.012 0.000 1.047 138 A HN 0.168 nan 8.150 nan 0.000 0.494 139 N N -0.309 118.382 118.700 -0.015 0.000 2.335 139 N HA -0.020 4.720 4.740 -0.001 0.000 0.197 139 N C 0.426 175.908 175.510 -0.046 0.000 1.045 139 N CA 1.200 54.243 53.050 -0.013 0.000 0.928 139 N CB -0.034 38.455 38.487 0.003 0.000 1.118 139 N HN 0.752 nan 8.380 nan 0.000 0.471 140 E N 0.390 120.559 120.200 -0.052 0.000 2.216 140 E HA 0.376 4.726 4.350 -0.001 0.000 0.279 140 E C -1.279 175.242 176.600 -0.133 0.000 0.997 140 E CA -0.518 55.833 56.400 -0.083 0.000 0.817 140 E CB 1.339 31.011 29.700 -0.046 0.000 1.096 140 E HN 0.013 nan 8.360 nan 0.000 0.393 141 V N 6.081 125.857 119.914 -0.230 0.000 2.487 141 V HA 0.306 4.425 4.120 -0.001 0.000 0.298 141 V C -0.062 175.874 176.094 -0.264 0.000 1.028 141 V CA -0.663 61.436 62.300 -0.336 0.000 0.860 141 V CB 1.512 32.916 31.823 -0.697 0.000 0.991 141 V HN 0.636 nan 8.190 nan 0.000 0.427 142 I N 4.805 125.289 120.570 -0.143 0.000 2.256 142 I HA 0.136 4.306 4.170 -0.001 0.000 0.294 142 I C 0.641 176.777 176.117 0.031 0.000 1.127 142 I CA -0.026 61.258 61.300 -0.028 0.000 1.247 142 I CB 0.452 38.463 38.000 0.019 0.000 1.460 142 I HN 0.743 nan 8.210 nan 0.000 0.511 143 W N 4.528 125.739 121.300 -0.149 0.000 2.418 143 W HA -0.173 4.487 4.660 0.000 0.000 0.292 143 W C 2.119 178.540 176.519 -0.163 0.000 1.213 143 W CA 0.939 58.120 57.345 -0.275 0.000 1.283 143 W CB -0.381 28.885 29.460 -0.323 0.000 1.119 143 W HN 0.507 nan 8.180 nan 0.000 0.542 144 Y N 1.981 122.331 120.300 0.083 0.000 2.070 144 Y HA -0.221 4.329 4.550 -0.001 0.000 0.280 144 Y C -0.163 175.772 175.900 0.058 0.000 1.148 144 Y CA 2.955 61.064 58.100 0.015 0.000 1.125 144 Y CB -1.549 36.922 38.460 0.018 0.000 0.975 144 Y HN -0.183 nan 8.280 nan 0.000 0.492 145 P HA -0.135 nan 4.420 nan 0.000 0.223 145 P C 1.098 178.512 177.300 0.189 0.000 1.151 145 P CA 1.401 64.652 63.100 0.251 0.000 0.787 145 P CB 0.023 31.869 31.700 0.243 0.000 0.788 146 Q N -0.185 119.716 119.800 0.169 0.000 2.083 146 Q HA -0.001 4.338 4.340 -0.001 0.000 0.198 146 Q C 2.444 178.570 176.000 0.210 0.000 0.969 146 Q CA 1.036 56.997 55.803 0.263 0.000 0.838 146 Q CB -0.805 28.108 28.738 0.291 0.000 0.900 146 Q HN 0.343 nan 8.270 nan 0.000 0.436 147 L N 0.135 121.353 121.223 -0.009 0.000 2.046 147 L HA -0.190 4.150 4.340 -0.001 0.000 0.208 147 L C 2.708 179.477 176.870 -0.168 0.000 1.077 147 L CA 1.189 55.901 54.840 -0.212 0.000 0.747 147 L CB -0.445 41.289 42.059 -0.541 0.000 0.896 147 L HN 0.172 nan 8.230 nan 0.000 0.432 148 R N 0.348 120.792 120.500 -0.093 0.000 2.096 148 R HA -0.208 4.132 4.340 -0.001 0.000 0.240 148 R C 2.493 178.977 176.300 0.307 0.000 1.139 148 R CA 1.728 57.902 56.100 0.124 0.000 0.952 148 R CB -0.089 30.367 30.300 0.261 0.000 0.854 148 R HN 0.238 nan 8.270 nan 0.000 0.436 149 R N -0.241 120.346 120.500 0.145 0.000 2.081 149 R HA -0.128 4.211 4.340 -0.001 0.000 0.235 149 R C 2.403 178.633 176.300 -0.116 0.000 1.131 149 R CA 1.931 57.989 56.100 -0.069 0.000 0.960 149 R CB -0.296 29.913 30.300 -0.152 0.000 0.856 149 R HN 0.340 nan 8.270 nan 0.000 0.436 150 M N 0.643 119.984 119.600 -0.431 0.000 2.132 150 M HA -0.142 4.338 4.480 -0.001 0.000 0.263 150 M C 1.947 178.105 176.300 -0.237 0.000 1.065 150 M CA 2.203 57.071 55.300 -0.721 0.000 1.122 150 M CB -0.179 31.887 32.600 -0.890 0.000 1.365 150 M HN 0.259 nan 8.290 nan 0.000 0.411 151 T N -1.278 113.208 114.554 -0.114 0.000 2.821 151 T HA -0.184 4.166 4.350 -0.001 0.000 0.267 151 T C 1.584 176.328 174.700 0.074 0.000 1.046 151 T CA 1.300 63.391 62.100 -0.016 0.000 1.139 151 T CB -1.087 67.788 68.868 0.011 0.000 0.871 151 T HN 0.462 nan 8.240 nan 0.000 0.454 152 F N 2.721 122.659 119.950 -0.019 0.000 2.134 152 F HA -0.028 4.499 4.527 -0.002 0.000 0.299 152 F C 1.807 177.553 175.800 -0.090 0.000 1.097 152 F CA 1.566 59.483 58.000 -0.138 0.000 1.264 152 F CB -0.664 38.269 39.000 -0.111 0.000 1.001 152 F HN 0.070 nan 8.300 nan 0.000 0.479 153 D N -0.115 120.274 120.400 -0.018 0.000 2.116 153 D HA -0.191 4.449 4.640 -0.001 0.000 0.193 153 D C 2.440 178.638 176.300 -0.170 0.000 0.998 153 D CA 1.759 55.713 54.000 -0.078 0.000 0.836 153 D CB -0.408 40.429 40.800 0.062 0.000 0.951 153 D HN 0.203 nan 8.370 nan 0.000 0.449 154 V N 0.737 120.566 119.914 -0.142 0.000 2.261 154 V HA -0.255 3.865 4.120 -0.001 0.000 0.246 154 V C 2.430 178.351 176.094 -0.288 0.000 1.047 154 V CA 1.874 64.079 62.300 -0.158 0.000 1.015 154 V CB -0.894 30.875 31.823 -0.089 0.000 0.642 154 V HN 0.240 nan 8.190 nan 0.000 0.446 155 A N 0.003 122.648 122.820 -0.292 0.000 1.883 155 A HA -0.171 4.149 4.320 -0.001 0.000 0.217 155 A C 2.401 179.700 177.584 -0.475 0.000 1.186 155 A CA 2.428 54.209 52.037 -0.428 0.000 0.624 155 A CB -0.862 18.069 19.000 -0.115 0.000 0.822 155 A HN 0.593 nan 8.150 nan 0.000 0.444 156 A N -1.344 121.178 122.820 -0.496 0.000 1.897 156 A HA -0.014 4.305 4.320 -0.001 0.000 0.215 156 A C 2.305 179.724 177.584 -0.276 0.000 1.181 156 A CA 2.155 53.947 52.037 -0.408 0.000 0.620 156 A CB -1.158 17.493 19.000 -0.582 0.000 0.821 156 A HN 0.436 nan 8.150 nan 0.000 0.443 157 T N 0.499 114.884 114.554 -0.282 0.000 2.708 157 T HA -0.070 4.280 4.350 -0.001 0.000 0.266 157 T C 1.816 176.349 174.700 -0.279 0.000 1.037 157 T CA 1.519 63.489 62.100 -0.218 0.000 1.146 157 T CB -0.341 68.423 68.868 -0.173 0.000 0.865 157 T HN 0.339 nan 8.240 nan 0.000 0.435 158 L N -0.522 120.419 121.223 -0.469 0.000 2.156 158 L HA 0.071 4.411 4.340 -0.001 0.000 0.208 158 L C 2.002 178.511 176.870 -0.601 0.000 1.095 158 L CA 1.023 55.465 54.840 -0.664 0.000 0.770 158 L CB -0.316 41.160 42.059 -0.971 0.000 0.914 158 L HN 0.226 nan 8.230 nan 0.000 0.439 159 F N -1.821 117.948 119.950 -0.302 0.000 2.698 159 F HA 0.099 4.626 4.527 -0.001 0.000 0.295 159 F C 1.917 177.623 175.800 -0.158 0.000 1.124 159 F CA 0.523 58.368 58.000 -0.257 0.000 1.426 159 F CB 0.007 38.859 39.000 -0.246 0.000 1.120 159 F HN -0.032 nan 8.300 nan 0.000 0.583 160 M N -1.782 117.817 119.600 -0.002 0.000 2.054 160 M HA 0.286 4.765 4.480 -0.001 0.000 0.386 160 M C 1.139 177.423 176.300 -0.027 0.000 0.824 160 M CA 0.724 56.026 55.300 0.003 0.000 1.140 160 M CB 1.043 33.653 32.600 0.017 0.000 2.218 160 M HN 0.136 nan 8.290 nan 0.000 0.752 161 G N 1.054 109.816 108.800 -0.064 0.000 2.155 161 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.257 161 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.257 161 G C -0.345 174.526 174.900 -0.049 0.000 0.983 161 G CA 0.783 45.849 45.100 -0.057 0.000 0.676 161 G HN 0.685 nan 8.290 nan 0.000 0.528 162 E N -0.538 119.629 120.200 -0.055 0.000 2.191 162 E HA 0.877 5.226 4.350 -0.001 0.000 0.278 162 E C 0.194 176.768 176.600 -0.044 0.000 0.972 162 E CA 0.733 57.113 56.400 -0.034 0.000 0.804 162 E CB 0.842 30.537 29.700 -0.008 0.000 1.110 162 E HN 1.533 nan 8.360 nan 0.000 0.394 168 P HA -0.131 nan 4.420 nan 0.000 0.226 168 P C 0.693 177.877 177.300 -0.193 0.000 1.146 168 P CA 1.165 64.211 63.100 -0.090 0.000 0.773 168 P CB 0.452 32.098 31.700 -0.089 0.000 0.772 169 Q N -0.995 118.581 119.800 -0.374 0.000 2.396 169 Q HA 0.165 4.505 4.340 -0.001 0.000 0.209 169 Q C 2.306 177.807 176.000 -0.832 0.000 0.906 169 Q CA 0.149 55.435 55.803 -0.861 0.000 0.927 169 Q CB -0.210 27.625 28.738 -1.505 0.000 1.069 169 Q HN 0.370 nan 8.270 nan 0.000 0.523 170 L N -0.187 120.878 121.223 -0.263 0.000 2.012 170 L HA -0.194 4.145 4.340 -0.001 0.000 0.210 170 L C 2.247 179.182 176.870 0.108 0.000 1.073 170 L CA 1.537 56.449 54.840 0.119 0.000 0.748 170 L CB -0.596 41.723 42.059 0.433 0.000 0.891 170 L HN 0.155 nan 8.230 nan 0.000 0.431 171 F N 1.948 121.730 119.950 -0.280 0.000 2.051 171 F HA -0.131 4.396 4.527 0.000 0.000 0.296 171 F C -0.331 175.341 175.800 -0.213 0.000 1.122 171 F CA 1.646 59.287 58.000 -0.598 0.000 1.201 171 F CB -1.425 37.203 39.000 -0.620 0.000 0.978 171 F HN 0.021 nan 8.300 nan 0.000 0.472 172 P HA -0.187 nan 4.420 nan 0.000 0.218 172 P C 1.307 178.640 177.300 0.055 0.000 1.149 172 P CA 1.788 64.874 63.100 -0.024 0.000 0.817 172 P CB -0.445 31.240 31.700 -0.026 0.000 0.785 173 W N -0.988 120.280 121.300 -0.054 0.000 2.436 173 W HA 0.077 4.737 4.660 0.000 0.000 0.284 173 W C 2.321 178.769 176.519 -0.118 0.000 1.225 173 W CA 0.141 57.427 57.345 -0.098 0.000 1.271 173 W CB -1.807 27.565 29.460 -0.147 0.000 1.114 173 W HN -0.076 nan 8.180 nan 0.000 0.559 174 F N 1.054 121.056 119.950 0.087 0.000 2.186 174 F HA -0.189 4.337 4.527 -0.001 0.000 0.299 174 F C 2.252 178.095 175.800 0.073 0.000 1.090 174 F CA 1.638 59.689 58.000 0.084 0.000 1.307 174 F CB -0.259 38.737 39.000 -0.008 0.000 1.019 174 F HN -0.098 nan 8.300 nan 0.000 0.489 175 E N -0.427 119.818 120.200 0.076 0.000 2.023 175 E HA -0.203 4.146 4.350 -0.001 0.000 0.196 175 E C 2.101 178.748 176.600 0.080 0.000 1.003 175 E CA 1.985 58.396 56.400 0.018 0.000 0.809 175 E CB -0.558 29.093 29.700 -0.083 0.000 0.755 175 E HN 0.307 nan 8.360 nan 0.000 0.449 176 T N 0.862 115.469 114.554 0.088 0.000 2.635 176 T HA -0.262 4.088 4.350 -0.001 0.000 0.267 176 T C 1.684 176.408 174.700 0.041 0.000 1.040 176 T CA 1.818 63.958 62.100 0.067 0.000 1.156 176 T CB -0.643 68.274 68.868 0.081 0.000 0.863 176 T HN 0.287 nan 8.240 nan 0.000 0.430 177 Y N 1.596 121.863 120.300 -0.056 0.000 2.097 177 Y HA -0.162 4.388 4.550 -0.001 0.000 0.282 177 Y C 2.141 177.982 175.900 -0.097 0.000 1.152 177 Y CA 1.056 59.083 58.100 -0.122 0.000 1.136 177 Y CB -0.667 37.692 38.460 -0.168 0.000 0.975 177 Y HN 0.163 nan 8.280 nan 0.000 0.498 178 I N 0.500 121.037 120.570 -0.056 0.000 2.264 178 I HA -0.382 3.787 4.170 -0.001 0.000 0.248 178 I C 2.423 178.463 176.117 -0.128 0.000 1.111 178 I CA 1.785 62.995 61.300 -0.150 0.000 1.382 178 I CB -0.468 37.617 38.000 0.141 0.000 1.060 178 I HN 0.397 nan 8.210 nan 0.000 0.418 179 Q N -0.079 119.692 119.800 -0.049 0.000 2.291 179 Q HA -0.143 4.196 4.340 -0.001 0.000 0.206 179 Q C 2.080 178.077 176.000 -0.006 0.000 0.976 179 Q CA 1.347 57.149 55.803 -0.002 0.000 0.875 179 Q CB -0.236 28.513 28.738 0.018 0.000 0.927 179 Q HN 0.641 nan 8.270 nan 0.000 0.450 180 G N -0.492 108.252 108.800 -0.093 0.000 2.986 180 G HA2 0.013 3.972 3.960 -0.001 0.000 0.213 180 G HA3 0.013 3.972 3.960 -0.001 0.000 0.213 180 G C 1.187 176.057 174.900 -0.050 0.000 1.156 180 G CA -0.242 44.846 45.100 -0.019 0.000 0.763 180 G HN 0.139 nan 8.290 nan 0.000 0.547 181 L N -0.546 120.532 121.223 -0.242 0.000 2.042 181 L HA 0.069 4.409 4.340 -0.001 0.000 0.210 181 L C 0.420 176.966 176.870 -0.540 0.000 1.076 181 L CA 0.883 55.462 54.840 -0.435 0.000 0.749 181 L CB -0.134 41.617 42.059 -0.513 0.000 0.893 181 L HN 0.143 nan 8.230 nan 0.000 0.432 182 F N -0.398 119.537 119.950 -0.024 0.000 2.359 182 F HA 0.340 4.866 4.527 -0.001 0.000 0.370 182 F C 0.303 176.224 175.800 0.203 0.000 1.077 182 F CA -0.533 57.523 58.000 0.093 0.000 1.136 182 F CB 1.052 40.145 39.000 0.155 0.000 1.387 182 F HN -0.137 nan 8.300 nan 0.000 0.468 183 S N 1.967 117.872 115.700 0.341 0.000 2.656 183 S HA 0.703 5.173 4.470 -0.001 0.000 0.273 183 S C -1.185 173.576 174.600 0.269 0.000 1.168 183 S CA -1.090 57.280 58.200 0.284 0.000 0.817 183 S CB 1.129 64.464 63.200 0.226 0.000 1.146 183 S HN 0.355 nan 8.310 nan 0.000 0.475 184 L N 2.056 123.367 121.223 0.147 0.000 2.361 184 L HA 0.385 4.724 4.340 -0.001 0.000 0.278 184 L C -1.911 174.870 176.870 -0.149 0.000 1.113 184 L CA -1.690 53.188 54.840 0.064 0.000 0.849 184 L CB 0.466 42.546 42.059 0.035 0.000 1.155 184 L HN 0.565 nan 8.230 nan 0.000 0.452 185 P HA 0.162 nan 4.420 nan 0.000 0.218 185 P C -0.095 176.868 177.300 -0.560 0.000 1.793 185 P CA -0.119 62.357 63.100 -1.039 0.000 0.941 185 P CB -0.333 30.868 31.700 -0.831 0.000 1.919 186 I N 3.414 123.852 120.570 -0.220 0.000 2.505 186 I HA 0.062 4.231 4.170 -0.001 0.000 0.287 186 I C -1.179 174.990 176.117 0.087 0.000 1.104 186 I CA -1.827 59.433 61.300 -0.067 0.000 1.387 186 I CB 0.422 38.408 38.000 -0.024 0.000 1.404 186 I HN -0.016 nan 8.210 nan 0.000 0.528 187 P HA 0.169 nan 4.420 nan 0.000 0.237 187 P C -0.635 176.692 177.300 0.046 0.000 1.723 187 P CA 0.343 63.492 63.100 0.082 0.000 0.882 187 P CB -0.167 31.545 31.700 0.020 0.000 1.810 188 L N 0.539 121.794 121.223 0.053 0.000 2.365 188 L HA 0.408 4.748 4.340 -0.001 0.000 0.273 188 L C -1.511 175.370 176.870 0.018 0.000 1.000 188 L CA -2.594 52.258 54.840 0.020 0.000 0.819 188 L CB 2.346 44.409 42.059 0.007 0.000 1.284 188 L HN -0.282 nan 8.230 nan 0.000 0.418 189 P HA -0.127 nan 4.420 nan 0.000 0.216 189 P C 0.377 177.666 177.300 -0.019 0.000 1.150 189 P CA 1.067 64.152 63.100 -0.025 0.000 0.837 189 P CB 0.152 31.832 31.700 -0.033 0.000 0.786 190 N N 0.058 118.753 118.700 -0.007 0.000 3.331 190 N HA 0.071 4.810 4.740 -0.001 0.000 0.303 190 N C -0.706 174.810 175.510 0.009 0.000 1.326 190 N CA -0.047 53.002 53.050 -0.003 0.000 1.207 190 N CB -0.741 37.744 38.487 -0.003 0.000 1.477 190 N HN 0.085 nan 8.380 nan 0.000 0.541 191 T N -3.095 111.471 114.554 0.019 0.000 2.841 191 T HA 0.231 4.580 4.350 -0.001 0.000 0.296 191 T C 0.896 175.624 174.700 0.048 0.000 1.166 191 T CA -0.829 61.295 62.100 0.041 0.000 1.007 191 T CB 0.787 69.696 68.868 0.069 0.000 1.253 191 T HN -0.047 nan 8.240 nan 0.000 0.511 192 L N 0.440 121.703 121.223 0.067 0.000 1.990 192 L HA 0.085 4.424 4.340 -0.001 0.000 0.213 192 L C 2.108 179.027 176.870 0.082 0.000 1.072 192 L CA 2.050 56.932 54.840 0.070 0.000 0.755 192 L CB -1.185 40.925 42.059 0.085 0.000 0.889 192 L HN 0.795 nan 8.230 nan 0.000 0.432 193 F N 0.070 120.006 119.950 -0.023 0.000 2.259 193 F HA 0.053 4.580 4.527 -0.001 0.000 0.298 193 F C 2.133 177.904 175.800 -0.048 0.000 1.088 193 F CA 1.284 59.259 58.000 -0.041 0.000 1.358 193 F CB -0.790 38.193 39.000 -0.029 0.000 1.040 193 F HN 0.126 nan 8.300 nan 0.000 0.505 194 G N 0.370 109.161 108.800 -0.014 0.000 2.422 194 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.218 194 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.218 194 G C 1.734 176.534 174.900 -0.167 0.000 1.146 194 G CA 0.782 45.819 45.100 -0.104 0.000 0.769 194 G HN 0.344 nan 8.290 nan 0.000 0.547 195 K N 0.582 120.912 120.400 -0.116 0.000 2.103 195 K HA 0.029 4.348 4.320 -0.001 0.000 0.204 195 K C 2.890 179.397 176.600 -0.155 0.000 1.052 195 K CA 1.042 57.264 56.287 -0.109 0.000 0.945 195 K CB -0.101 32.370 32.500 -0.049 0.000 0.722 195 K HN 0.202 nan 8.250 nan 0.000 0.443 196 S N 1.580 117.156 115.700 -0.207 0.000 2.368 196 S HA -0.220 4.249 4.470 -0.001 0.000 0.225 196 S C 2.023 176.433 174.600 -0.316 0.000 1.030 196 S CA 1.286 59.331 58.200 -0.257 0.000 0.999 196 S CB -0.165 62.829 63.200 -0.343 0.000 0.844 196 S HN 0.304 nan 8.310 nan 0.000 0.459 197 Q N 0.785 120.286 119.800 -0.497 0.000 2.096 197 Q HA -0.153 4.186 4.340 -0.001 0.000 0.204 197 Q C 2.249 178.089 176.000 -0.266 0.000 0.982 197 Q CA 1.460 57.007 55.803 -0.427 0.000 0.850 197 Q CB -0.047 28.408 28.738 -0.471 0.000 0.901 197 Q HN 0.253 nan 8.270 nan 0.000 0.422 198 R N -0.076 120.279 120.500 -0.242 0.000 2.092 198 R HA -0.035 4.305 4.340 -0.001 0.000 0.231 198 R C 1.841 177.953 176.300 -0.315 0.000 1.119 198 R CA 1.606 57.561 56.100 -0.240 0.000 0.970 198 R CB -0.728 29.451 30.300 -0.202 0.000 0.864 198 R HN 0.308 nan 8.270 nan 0.000 0.440 199 A N 0.553 123.208 122.820 -0.274 0.000 1.969 199 A HA -0.138 4.182 4.320 -0.001 0.000 0.218 199 A C 2.228 179.606 177.584 -0.345 0.000 1.169 199 A CA 1.497 53.342 52.037 -0.320 0.000 0.635 199 A CB -0.579 18.358 19.000 -0.105 0.000 0.810 199 A HN 0.416 nan 8.150 nan 0.000 0.445 200 R N -0.320 120.041 120.500 -0.232 0.000 2.075 200 R HA -0.041 4.299 4.340 -0.001 0.000 0.232 200 R C 2.286 178.410 176.300 -0.292 0.000 1.126 200 R CA 1.373 57.306 56.100 -0.278 0.000 0.963 200 R CB -0.437 29.806 30.300 -0.095 0.000 0.858 200 R HN 0.388 nan 8.270 nan 0.000 0.435 201 A N 1.252 123.913 122.820 -0.264 0.000 1.908 201 A HA -0.150 4.169 4.320 -0.001 0.000 0.218 201 A C 2.198 179.595 177.584 -0.310 0.000 1.181 201 A CA 1.323 53.213 52.037 -0.245 0.000 0.627 201 A CB -0.540 18.328 19.000 -0.220 0.000 0.818 201 A HN 0.374 nan 8.150 nan 0.000 0.445 202 L N -1.019 119.918 121.223 -0.477 0.000 2.109 202 L HA -0.102 4.237 4.340 -0.001 0.000 0.207 202 L C 2.517 179.106 176.870 -0.469 0.000 1.086 202 L CA 0.750 55.161 54.840 -0.714 0.000 0.760 202 L CB -0.354 40.805 42.059 -1.500 0.000 0.910 202 L HN 0.368 nan 8.230 nan 0.000 0.437 203 L N -0.818 120.191 121.223 -0.356 0.000 2.072 203 L HA -0.204 4.135 4.340 -0.001 0.000 0.205 203 L C 2.443 179.229 176.870 -0.140 0.000 1.079 203 L CA 1.045 55.767 54.840 -0.196 0.000 0.752 203 L CB -0.385 41.388 42.059 -0.476 0.000 0.906 203 L HN 0.215 nan 8.230 nan 0.000 0.436 204 L N -0.329 120.783 121.223 -0.185 0.000 2.012 204 L HA -0.230 4.109 4.340 -0.001 0.000 0.210 204 L C 2.855 179.684 176.870 -0.068 0.000 1.073 204 L CA 1.334 56.104 54.840 -0.117 0.000 0.748 204 L CB -0.756 41.228 42.059 -0.125 0.000 0.891 204 L HN 0.261 nan 8.230 nan 0.000 0.431 205 A N -0.733 122.038 122.820 -0.082 0.000 1.972 205 A HA -0.177 4.143 4.320 -0.001 0.000 0.219 205 A C 2.194 179.782 177.584 0.007 0.000 1.169 205 A CA 1.395 53.406 52.037 -0.044 0.000 0.635 205 A CB -0.278 18.683 19.000 -0.065 0.000 0.810 205 A HN 0.337 nan 8.150 nan 0.000 0.446 206 E N 0.033 120.257 120.200 0.041 0.000 2.072 206 E HA -0.054 4.296 4.350 -0.001 0.000 0.190 206 E C 2.071 178.717 176.600 0.075 0.000 0.982 206 E CA 0.713 57.176 56.400 0.105 0.000 0.803 206 E CB -0.404 29.425 29.700 0.216 0.000 0.755 206 E HN 0.679 nan 8.360 nan 0.000 0.453 207 L N 0.747 122.001 121.223 0.052 0.000 2.046 207 L HA -0.161 4.178 4.340 -0.001 0.000 0.208 207 L C 2.627 179.514 176.870 0.029 0.000 1.077 207 L CA 1.297 56.165 54.840 0.046 0.000 0.747 207 L CB -0.410 41.669 42.059 0.033 0.000 0.896 207 L HN 0.160 nan 8.230 nan 0.000 0.432 208 E N 0.644 120.852 120.200 0.014 0.000 2.097 208 E HA -0.293 4.057 4.350 -0.001 0.000 0.196 208 E C 2.079 178.688 176.600 0.015 0.000 1.000 208 E CA 1.543 57.948 56.400 0.008 0.000 0.804 208 E CB 0.168 29.866 29.700 -0.003 0.000 0.740 208 E HN 0.246 nan 8.360 nan 0.000 0.454 209 K N 0.216 120.629 120.400 0.023 0.000 2.097 209 K HA -0.062 4.257 4.320 -0.001 0.000 0.206 209 K C 1.927 178.542 176.600 0.026 0.000 1.049 209 K CA 1.084 57.386 56.287 0.026 0.000 0.933 209 K CB -0.075 32.446 32.500 0.035 0.000 0.717 209 K HN 0.239 nan 8.250 nan 0.000 0.442 210 I N -0.037 120.553 120.570 0.033 0.000 2.353 210 I HA -0.209 3.961 4.170 -0.001 0.000 0.248 210 I C 1.815 177.946 176.117 0.023 0.000 1.119 210 I CA 0.964 62.282 61.300 0.030 0.000 1.417 210 I CB -0.149 37.875 38.000 0.041 0.000 1.078 210 I HN 0.063 nan 8.210 nan 0.000 0.421 211 I N 0.650 121.233 120.570 0.021 0.000 2.202 211 I HA -0.260 3.910 4.170 -0.001 0.000 0.242 211 I C 2.483 178.607 176.117 0.012 0.000 1.091 211 I CA 1.434 62.743 61.300 0.016 0.000 1.368 211 I CB -0.364 37.645 38.000 0.015 0.000 1.058 211 I HN 0.069 nan 8.210 nan 0.000 0.410 212 K N 0.823 121.230 120.400 0.012 0.000 2.103 212 K HA -0.155 4.165 4.320 -0.001 0.000 0.207 212 K C 2.171 178.776 176.600 0.009 0.000 1.048 212 K CA 1.581 57.874 56.287 0.009 0.000 0.930 212 K CB -0.248 32.257 32.500 0.009 0.000 0.716 212 K HN 0.338 nan 8.250 nan 0.000 0.444 213 A N 0.916 123.742 122.820 0.011 0.000 2.066 213 A HA -0.104 4.216 4.320 -0.001 0.000 0.218 213 A C 1.989 179.578 177.584 0.008 0.000 1.157 213 A CA 1.105 53.148 52.037 0.010 0.000 0.670 213 A CB -0.194 18.813 19.000 0.012 0.000 0.804 213 A HN 0.101 nan 8.150 nan 0.000 0.453 214 R N 0.100 120.605 120.500 0.009 0.000 2.127 214 R HA 0.028 4.367 4.340 -0.001 0.000 0.217 214 R C 1.834 178.138 176.300 0.006 0.000 1.074 214 R CA 1.430 57.535 56.100 0.007 0.000 0.991 214 R CB -0.511 29.794 30.300 0.008 0.000 0.895 214 R HN 0.593 nan 8.270 nan 0.000 0.450 215 Q N -0.492 119.312 119.800 0.006 0.000 2.541 215 Q HA -0.109 4.230 4.340 -0.001 0.000 0.215 215 Q C 1.209 177.211 176.000 0.004 0.000 0.977 215 Q CA 0.709 56.515 55.803 0.005 0.000 0.934 215 Q CB 0.230 28.971 28.738 0.005 0.000 0.988 215 Q HN 0.228 nan 8.270 nan 0.000 0.521 216 Q N -0.062 119.740 119.800 0.004 0.000 2.259 216 Q HA 0.026 4.365 4.340 -0.001 0.000 0.201 216 Q C 0.821 176.822 176.000 0.003 0.000 0.938 216 Q CA 0.978 56.783 55.803 0.004 0.000 0.872 216 Q CB -0.026 28.714 28.738 0.004 0.000 0.971 216 Q HN 0.437 nan 8.270 nan 0.000 0.494 217 Q N 1.513 121.314 119.800 0.003 0.000 2.421 217 Q HA 0.318 4.657 4.340 -0.001 0.000 0.255 217 Q C -2.226 173.774 176.000 0.001 0.000 1.013 217 Q CA -1.330 54.474 55.803 0.002 0.000 0.895 217 Q CB -1.342 27.397 28.738 0.002 0.000 1.271 217 Q HN 0.121 nan 8.270 nan 0.000 0.460 218 P HA 0.203 nan 4.420 nan 0.000 0.266 218 P C -2.284 175.016 177.300 0.000 0.000 1.195 218 P CA -0.753 62.347 63.100 0.000 0.000 0.768 218 P CB -0.066 31.634 31.700 -0.000 0.000 0.838 219 P HA 0.122 nan 4.420 nan 0.000 0.265 219 P C -0.695 176.605 177.300 -0.001 0.000 1.193 219 P CA 0.210 63.310 63.100 0.000 0.000 0.765 219 P CB 0.347 32.047 31.700 -0.000 0.000 0.823 220 S N 0.562 116.261 115.700 -0.000 0.000 2.619 220 S HA 0.426 4.895 4.470 -0.001 0.000 0.280 220 S C -0.432 174.168 174.600 0.000 0.000 1.150 220 S CA -0.801 57.399 58.200 -0.001 0.000 0.978 220 S CB 1.480 64.680 63.200 0.000 0.000 1.041 220 S HN 0.168 nan 8.310 nan 0.000 0.485 221 E N 1.637 121.836 120.200 -0.002 0.000 2.542 221 E HA 0.355 4.705 4.350 -0.001 0.000 0.224 221 E C 1.161 177.761 176.600 0.000 0.000 1.110 221 E CA 0.179 56.576 56.400 -0.004 0.000 1.350 221 E CB 0.386 30.079 29.700 -0.011 0.000 1.302 221 E HN 0.876 nan 8.360 nan 0.000 0.435 222 E N 0.776 120.985 120.200 0.015 0.000 2.452 222 E HA 0.066 4.415 4.350 -0.001 0.000 0.197 222 E C 0.201 176.859 176.600 0.098 0.000 1.022 222 E CA 0.761 57.184 56.400 0.039 0.000 0.890 222 E CB -0.312 29.406 29.700 0.030 0.000 0.918 222 E HN 0.370 nan 8.360 nan 0.000 0.496 223 D N -3.447 116.990 120.400 0.062 0.000 2.523 223 D HA 0.612 5.251 4.640 -0.001 0.000 0.236 223 D C 1.035 177.358 176.300 0.037 0.000 1.094 223 D CA -0.138 53.900 54.000 0.064 0.000 0.942 223 D CB 1.256 42.059 40.800 0.005 0.000 1.447 223 D HN 0.034 nan 8.370 nan 0.000 0.479 224 A N 0.260 123.105 122.820 0.042 0.000 1.927 224 A HA -0.197 4.122 4.320 -0.001 0.000 0.220 224 A C 1.915 179.490 177.584 -0.014 0.000 1.185 224 A CA 1.898 53.922 52.037 -0.022 0.000 0.639 224 A CB -0.889 18.066 19.000 -0.075 0.000 0.820 224 A HN 0.596 nan 8.150 nan 0.000 0.451 225 L N 0.107 121.336 121.223 0.011 0.000 2.012 225 L HA -0.072 4.267 4.340 -0.001 0.000 0.210 225 L C 2.399 179.271 176.870 0.003 0.000 1.073 225 L CA 2.525 57.370 54.840 0.008 0.000 0.748 225 L CB -1.236 40.833 42.059 0.017 0.000 0.891 225 L HN 0.301 nan 8.230 nan 0.000 0.431 226 G N -0.300 108.503 108.800 0.004 0.000 2.421 226 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.216 226 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.216 226 G C 1.642 176.540 174.900 -0.003 0.000 1.171 226 G CA 1.211 46.312 45.100 0.002 0.000 0.775 226 G HN 0.500 nan 8.290 nan 0.000 0.543 227 I N 0.097 120.662 120.570 -0.008 0.000 2.226 227 I HA -0.136 4.034 4.170 -0.001 0.000 0.245 227 I C 2.525 178.638 176.117 -0.006 0.000 1.100 227 I CA 0.443 61.735 61.300 -0.013 0.000 1.374 227 I CB -0.206 37.778 38.000 -0.027 0.000 1.057 227 I HN 0.070 nan 8.210 nan 0.000 0.413 228 L N 0.084 121.304 121.223 -0.006 0.000 2.046 228 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 228 L C 2.383 179.256 176.870 0.004 0.000 1.077 228 L CA 1.776 56.617 54.840 0.000 0.000 0.747 228 L CB -0.930 41.129 42.059 -0.001 0.000 0.896 228 L HN 0.186 nan 8.230 nan 0.000 0.432 229 L N -0.923 120.302 121.223 0.003 0.000 2.042 229 L HA -0.224 4.116 4.340 -0.001 0.000 0.210 229 L C 2.500 179.372 176.870 0.004 0.000 1.076 229 L CA 1.397 56.240 54.840 0.004 0.000 0.749 229 L CB -0.694 41.367 42.059 0.004 0.000 0.893 229 L HN 0.291 nan 8.230 nan 0.000 0.432 230 A N -0.348 122.473 122.820 0.002 0.000 2.119 230 A HA 0.255 4.574 4.320 -0.001 0.000 0.216 230 A C 1.358 178.944 177.584 0.004 0.000 1.152 230 A CA 0.641 52.680 52.037 0.002 0.000 0.708 230 A CB -0.475 18.525 19.000 -0.000 0.000 0.805 230 A HN 0.318 nan 8.150 nan 0.000 0.460 231 A N 0.157 122.981 122.820 0.006 0.000 2.346 231 A HA 0.578 4.898 4.320 -0.001 0.000 0.252 231 A C 0.285 177.875 177.584 0.010 0.000 1.089 231 A CA -0.146 51.896 52.037 0.009 0.000 0.797 231 A CB 0.273 19.280 19.000 0.011 0.000 1.047 231 A HN 0.313 nan 8.150 nan 0.000 0.494 232 R N 0.749 121.256 120.500 0.012 0.000 2.575 232 R HA 0.298 4.638 4.340 -0.001 0.000 0.293 232 R C -1.034 175.274 176.300 0.014 0.000 0.983 232 R CA -0.687 55.420 56.100 0.012 0.000 0.887 232 R CB 1.570 31.876 30.300 0.011 0.000 1.184 232 R HN 0.969 nan 8.270 nan 0.000 0.445 233 D N 0.372 120.781 120.400 0.015 0.000 2.380 233 D HA -0.014 4.626 4.640 -0.001 0.000 0.254 233 D C 0.229 176.538 176.300 0.015 0.000 1.288 233 D CA -0.141 53.869 54.000 0.017 0.000 1.008 233 D CB 0.663 41.474 40.800 0.019 0.000 1.099 233 D HN 0.249 nan 8.370 nan 0.000 0.537 234 D N -1.287 119.123 120.400 0.016 0.000 2.312 234 D HA -0.083 4.556 4.640 -0.001 0.000 0.211 234 D C 0.687 176.995 176.300 0.014 0.000 0.964 234 D CA 0.580 54.589 54.000 0.015 0.000 0.877 234 D CB -0.221 40.589 40.800 0.016 0.000 0.924 234 D HN 0.296 nan 8.370 nan 0.000 0.515 235 N N 0.813 119.521 118.700 0.014 0.000 2.314 235 N HA -0.047 4.692 4.740 -0.001 0.000 0.200 235 N C 0.002 175.518 175.510 0.011 0.000 1.135 235 N CA 0.083 53.141 53.050 0.012 0.000 0.835 235 N CB -0.039 38.456 38.487 0.012 0.000 0.989 235 N HN 0.042 nan 8.380 nan 0.000 0.478 236 N N 0.577 119.284 118.700 0.011 0.000 2.815 236 N HA -0.175 4.565 4.740 -0.001 0.000 0.249 236 N C -1.295 174.221 175.510 0.010 0.000 1.114 236 N CA 0.540 53.596 53.050 0.010 0.000 0.717 236 N CB -0.835 37.657 38.487 0.009 0.000 1.074 236 N HN 0.145 nan 8.380 nan 0.000 0.555 237 Q N -0.252 119.555 119.800 0.011 0.000 2.266 237 Q HA 0.557 4.896 4.340 -0.001 0.000 0.261 237 Q C -2.351 173.656 176.000 0.011 0.000 0.985 237 Q CA -1.690 54.119 55.803 0.010 0.000 0.873 237 Q CB 1.104 29.849 28.738 0.011 0.000 1.306 237 Q HN 0.200 nan 8.270 nan 0.000 0.447 238 P HA 0.061 nan 4.420 nan 0.000 0.269 238 P C -0.208 177.098 177.300 0.011 0.000 1.209 238 P CA -0.091 63.015 63.100 0.010 0.000 0.776 238 P CB 0.509 32.214 31.700 0.008 0.000 0.876 239 L N 1.439 122.669 121.223 0.012 0.000 2.453 239 L HA 0.088 4.428 4.340 -0.001 0.000 0.272 239 L C 1.195 178.072 176.870 0.012 0.000 1.182 239 L CA -0.070 54.778 54.840 0.014 0.000 0.858 239 L CB 0.078 42.147 42.059 0.016 0.000 1.120 239 L HN 0.506 nan 8.230 nan 0.000 0.474 240 S N 2.372 118.080 115.700 0.013 0.000 2.584 240 S HA 0.053 4.523 4.470 -0.001 0.000 0.270 240 S C 0.894 175.500 174.600 0.009 0.000 1.346 240 S CA -0.736 57.471 58.200 0.011 0.000 1.018 240 S CB 1.178 64.384 63.200 0.011 0.000 0.899 240 S HN 0.565 nan 8.310 nan 0.000 0.542 241 L N 2.459 123.686 121.223 0.007 0.000 1.990 241 L HA 0.068 4.408 4.340 -0.001 0.000 0.213 241 L C -0.980 175.892 176.870 0.004 0.000 1.072 241 L CA 1.956 56.799 54.840 0.005 0.000 0.755 241 L CB -1.743 40.317 42.059 0.002 0.000 0.889 241 L HN 0.563 nan 8.230 nan 0.000 0.432 242 P HA -0.252 nan 4.420 nan 0.000 0.215 242 P C 1.461 178.766 177.300 0.008 0.000 1.163 242 P CA 1.964 65.065 63.100 0.001 0.000 0.894 242 P CB -0.019 31.682 31.700 0.002 0.000 0.791 243 E N -0.397 119.811 120.200 0.014 0.000 2.077 243 E HA -0.170 4.179 4.350 -0.001 0.000 0.193 243 E C 1.949 178.561 176.600 0.021 0.000 0.989 243 E CA 0.931 57.344 56.400 0.022 0.000 0.800 243 E CB -0.703 29.012 29.700 0.025 0.000 0.746 243 E HN 0.085 nan 8.360 nan 0.000 0.452 244 L N 0.443 121.676 121.223 0.016 0.000 2.013 244 L HA -0.255 4.084 4.340 -0.001 0.000 0.212 244 L C 2.604 179.483 176.870 0.015 0.000 1.073 244 L CA 1.845 56.694 54.840 0.014 0.000 0.753 244 L CB -0.430 41.636 42.059 0.011 0.000 0.890 244 L HN 0.111 nan 8.230 nan 0.000 0.432 245 K N -0.439 119.967 120.400 0.011 0.000 2.057 245 K HA -0.138 4.181 4.320 -0.001 0.000 0.206 245 K C 1.774 178.379 176.600 0.010 0.000 1.050 245 K CA 1.321 57.611 56.287 0.006 0.000 0.935 245 K CB -0.147 32.347 32.500 -0.009 0.000 0.715 245 K HN 0.167 nan 8.250 nan 0.000 0.439 246 D N 0.584 120.992 120.400 0.013 0.000 2.144 246 D HA -0.124 4.515 4.640 -0.001 0.000 0.199 246 D C 2.054 178.383 176.300 0.049 0.000 0.984 246 D CA 1.013 55.029 54.000 0.027 0.000 0.834 246 D CB 0.091 40.910 40.800 0.031 0.000 0.955 246 D HN 0.134 nan 8.370 nan 0.000 0.465 247 Q N -0.199 119.626 119.800 0.041 0.000 2.096 247 Q HA 0.026 4.365 4.340 -0.001 0.000 0.197 247 Q C 2.547 178.563 176.000 0.027 0.000 0.964 247 Q CA 0.440 56.268 55.803 0.040 0.000 0.838 247 Q CB -0.020 28.735 28.738 0.029 0.000 0.906 247 Q HN 0.375 nan 8.270 nan 0.000 0.444 248 I N 0.668 121.254 120.570 0.026 0.000 2.315 248 I HA -0.256 3.914 4.170 -0.001 0.000 0.248 248 I C 2.259 178.432 176.117 0.094 0.000 1.117 248 I CA 0.413 61.731 61.300 0.030 0.000 1.404 248 I CB -0.209 37.813 38.000 0.037 0.000 1.071 248 I HN 0.111 nan 8.210 nan 0.000 0.419 249 L N 0.346 121.636 121.223 0.113 0.000 2.013 249 L HA -0.244 4.095 4.340 -0.001 0.000 0.212 249 L C 2.278 179.326 176.870 0.297 0.000 1.073 249 L CA 1.851 56.806 54.840 0.192 0.000 0.753 249 L CB -0.695 41.384 42.059 0.034 0.000 0.890 249 L HN 0.187 nan 8.230 nan 0.000 0.432 250 L N -0.887 120.467 121.223 0.219 0.000 2.012 250 L HA -0.219 4.120 4.340 -0.001 0.000 0.210 250 L C 2.344 179.296 176.870 0.137 0.000 1.073 250 L CA 1.890 56.891 54.840 0.268 0.000 0.748 250 L CB -0.749 41.413 42.059 0.172 0.000 0.891 250 L HN 0.317 nan 8.230 nan 0.000 0.431 251 L N -1.409 119.806 121.223 -0.014 0.000 2.017 251 L HA -0.258 4.082 4.340 -0.001 0.000 0.208 251 L C 2.568 179.355 176.870 -0.139 0.000 1.073 251 L CA 1.426 56.109 54.840 -0.261 0.000 0.745 251 L CB -0.611 41.140 42.059 -0.513 0.000 0.894 251 L HN 0.310 nan 8.230 nan 0.000 0.432 252 L N -1.103 120.154 121.223 0.057 0.000 2.046 252 L HA -0.256 4.084 4.340 -0.001 0.000 0.208 252 L C 2.637 179.580 176.870 0.122 0.000 1.077 252 L CA 1.262 56.160 54.840 0.096 0.000 0.747 252 L CB -0.657 41.480 42.059 0.131 0.000 0.896 252 L HN 0.236 nan 8.230 nan 0.000 0.432 253 F N 1.263 121.269 119.950 0.093 0.000 2.075 253 F HA -0.196 4.330 4.527 -0.001 0.000 0.297 253 F C 2.394 178.218 175.800 0.039 0.000 1.113 253 F CA 1.354 59.439 58.000 0.142 0.000 1.218 253 F CB -0.692 38.522 39.000 0.357 0.000 0.984 253 F HN -0.038 nan 8.300 nan 0.000 0.472 254 A N 0.541 123.011 122.820 -0.584 0.000 1.930 254 A HA 0.059 4.378 4.320 -0.001 0.000 0.217 254 A C 2.474 179.910 177.584 -0.247 0.000 1.175 254 A CA 1.322 52.970 52.037 -0.648 0.000 0.627 254 A CB -1.841 16.904 19.000 -0.426 0.000 0.815 254 A HN 0.568 nan 8.150 nan 0.000 0.443 255 G N -0.726 108.049 108.800 -0.042 0.000 2.479 255 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.220 255 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.220 255 G C 1.392 176.415 174.900 0.205 0.000 1.115 255 G CA 1.488 46.699 45.100 0.184 0.000 0.757 255 G HN 0.876 nan 8.290 nan 0.000 0.560 256 H N -1.176 117.891 119.070 -0.004 0.000 2.926 256 H HA 0.186 4.741 4.556 -0.001 0.000 0.249 256 H C 1.944 177.258 175.328 -0.023 0.000 0.963 256 H CA 0.888 56.945 56.048 0.015 0.000 1.158 256 H CB 0.015 29.840 29.762 0.104 0.000 1.445 256 H HN 0.300 nan 8.280 nan 0.000 0.452 257 E N 2.338 122.176 120.200 -0.604 0.000 2.047 257 E HA -0.122 4.227 4.350 -0.001 0.000 0.191 257 E C 2.304 178.785 176.600 -0.197 0.000 0.987 257 E CA 2.869 59.032 56.400 -0.396 0.000 0.799 257 E CB -0.376 29.175 29.700 -0.248 0.000 0.752 257 E HN 0.559 nan 8.360 nan 0.000 0.449 258 T N -0.832 113.600 114.554 -0.203 0.000 2.708 258 T HA -0.164 4.186 4.350 -0.001 0.000 0.266 258 T C 2.062 176.712 174.700 -0.083 0.000 1.037 258 T CA 1.554 63.585 62.100 -0.114 0.000 1.146 258 T CB -0.616 68.198 68.868 -0.089 0.000 0.865 258 T HN 0.177 nan 8.240 nan 0.000 0.435 259 L N 0.880 122.058 121.223 -0.074 0.000 2.313 259 L HA 0.019 4.359 4.340 -0.001 0.000 0.214 259 L C 3.031 179.791 176.870 -0.183 0.000 1.119 259 L CA 1.019 55.808 54.840 -0.084 0.000 0.809 259 L CB -0.678 41.369 42.059 -0.019 0.000 0.933 259 L HN 0.352 nan 8.230 nan 0.000 0.449 260 T N -1.578 112.853 114.554 -0.204 0.000 2.737 260 T HA -0.204 4.146 4.350 -0.001 0.000 0.265 260 T C 2.132 176.592 174.700 -0.399 0.000 1.038 260 T CA 1.697 63.575 62.100 -0.370 0.000 1.144 260 T CB -0.116 68.520 68.868 -0.388 0.000 0.866 260 T HN 0.282 nan 8.240 nan 0.000 0.434 261 S N 0.971 116.577 115.700 -0.157 0.000 2.356 261 S HA -0.104 4.366 4.470 -0.001 0.000 0.223 261 S C 2.419 177.002 174.600 -0.028 0.000 1.032 261 S CA 1.444 59.660 58.200 0.028 0.000 1.005 261 S CB -0.618 62.621 63.200 0.065 0.000 0.867 261 S HN 0.506 nan 8.310 nan 0.000 0.449 262 A N 1.477 124.255 122.820 -0.071 0.000 1.883 262 A HA -0.017 4.302 4.320 -0.001 0.000 0.217 262 A C 2.259 179.802 177.584 -0.068 0.000 1.186 262 A CA 1.703 53.709 52.037 -0.053 0.000 0.624 262 A CB -0.903 18.066 19.000 -0.052 0.000 0.822 262 A HN 0.591 nan 8.150 nan 0.000 0.444 263 L N -0.630 120.466 121.223 -0.212 0.000 2.056 263 L HA -0.139 4.200 4.340 -0.001 0.000 0.207 263 L C 2.943 179.645 176.870 -0.279 0.000 1.078 263 L CA 1.399 56.034 54.840 -0.341 0.000 0.749 263 L CB -0.569 41.027 42.059 -0.771 0.000 0.901 263 L HN 0.557 nan 8.230 nan 0.000 0.433 264 S N -0.307 115.221 115.700 -0.288 0.000 2.353 264 S HA -0.232 4.238 4.470 -0.001 0.000 0.222 264 S C 2.230 176.814 174.600 -0.027 0.000 1.035 264 S CA 2.044 60.149 58.200 -0.159 0.000 1.025 264 S CB -0.228 63.009 63.200 0.062 0.000 0.902 264 S HN 0.401 nan 8.310 nan 0.000 0.440 265 S N 0.625 116.335 115.700 0.018 0.000 2.370 265 S HA -0.076 4.393 4.470 -0.001 0.000 0.226 265 S C 1.417 176.033 174.600 0.027 0.000 1.033 265 S CA 1.537 59.754 58.200 0.027 0.000 1.011 265 S CB -0.701 62.522 63.200 0.037 0.000 0.852 265 S HN 0.676 nan 8.310 nan 0.000 0.457 266 F N 1.695 121.610 119.950 -0.060 0.000 2.102 266 F HA -0.188 4.338 4.527 -0.001 0.000 0.298 266 F C 2.431 178.271 175.800 0.066 0.000 1.105 266 F CA 1.180 59.180 58.000 0.000 0.000 1.239 266 F CB -0.675 38.342 39.000 0.028 0.000 0.991 266 F HN 0.192 nan 8.300 nan 0.000 0.474 267 C N 0.371 119.710 119.300 0.064 0.000 2.425 267 C HA -0.120 4.339 4.460 -0.001 0.000 0.277 267 C C 2.644 177.774 174.990 0.233 0.000 1.280 267 C CA 0.852 59.874 59.018 0.007 0.000 1.744 267 C CB -1.483 25.956 27.740 -0.500 0.000 1.989 267 C HN 0.676 nan 8.230 nan 0.000 0.491 268 L N 0.835 122.112 121.223 0.089 0.000 2.005 268 L HA -0.041 4.299 4.340 -0.001 0.000 0.207 268 L C 2.233 179.108 176.870 0.008 0.000 1.072 268 L CA 1.967 56.857 54.840 0.084 0.000 0.744 268 L CB -1.135 40.947 42.059 0.037 0.000 0.895 268 L HN 0.276 nan 8.230 nan 0.000 0.433 269 L N -1.116 120.022 121.223 -0.142 0.000 2.056 269 L HA -0.158 4.182 4.340 -0.001 0.000 0.207 269 L C 2.241 178.958 176.870 -0.256 0.000 1.078 269 L CA 0.815 55.451 54.840 -0.340 0.000 0.749 269 L CB -0.385 41.179 42.059 -0.824 0.000 0.901 269 L HN 0.265 nan 8.230 nan 0.000 0.433 270 L N -0.724 120.355 121.223 -0.240 0.000 2.558 270 L HA 0.088 4.428 4.340 -0.001 0.000 0.225 270 L C 2.274 179.037 176.870 -0.179 0.000 1.128 270 L CA 0.751 55.498 54.840 -0.155 0.000 0.868 270 L CB -0.575 41.310 42.059 -0.289 0.000 1.006 270 L HN 0.104 nan 8.230 nan 0.000 0.454 271 G N -1.188 107.623 108.800 0.018 0.000 2.394 271 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.215 271 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.215 271 G C 1.485 176.285 174.900 -0.167 0.000 1.165 271 G CA 0.201 45.206 45.100 -0.160 0.000 0.784 271 G HN 0.378 nan 8.290 nan 0.000 0.535 272 Q N -0.368 119.374 119.800 -0.096 0.000 2.083 272 Q HA 0.002 4.342 4.340 -0.001 0.000 0.198 272 Q C 0.526 176.362 176.000 -0.272 0.000 0.969 272 Q CA 0.611 56.307 55.803 -0.178 0.000 0.838 272 Q CB 0.037 28.661 28.738 -0.190 0.000 0.900 272 Q HN 0.498 nan 8.270 nan 0.000 0.436 273 H N 0.721 119.744 119.070 -0.077 0.000 2.726 273 H HA 0.135 4.690 4.556 -0.001 0.000 0.244 273 H C 0.864 176.170 175.328 -0.038 0.000 1.669 273 H CA 0.024 56.073 56.048 0.001 0.000 1.293 273 H CB 0.509 30.356 29.762 0.141 0.000 1.640 273 H HN 0.272 nan 8.280 nan 0.000 0.553 274 S N 0.907 116.589 115.700 -0.030 0.000 2.447 274 S HA -0.176 4.293 4.470 -0.001 0.000 0.233 274 S C 1.586 176.186 174.600 -0.001 0.000 1.006 274 S CA 0.930 59.079 58.200 -0.086 0.000 0.957 274 S CB 0.099 63.222 63.200 -0.128 0.000 0.773 274 S HN 0.578 nan 8.310 nan 0.000 0.507 275 D N 2.850 123.285 120.400 0.058 0.000 2.117 275 D HA -0.133 4.506 4.640 -0.001 0.000 0.197 275 D C 1.913 178.284 176.300 0.118 0.000 0.987 275 D CA 1.034 55.080 54.000 0.077 0.000 0.829 275 D CB -0.729 40.123 40.800 0.087 0.000 0.961 275 D HN 0.539 nan 8.370 nan 0.000 0.460 276 I N 0.343 121.028 120.570 0.193 0.000 2.252 276 I HA -0.187 3.982 4.170 -0.001 0.000 0.245 276 I C 2.919 179.194 176.117 0.263 0.000 1.102 276 I CA 0.917 62.385 61.300 0.280 0.000 1.385 276 I CB -0.438 37.768 38.000 0.344 0.000 1.064 276 I HN -0.011 nan 8.210 nan 0.000 0.414 277 R N 1.234 121.826 120.500 0.155 0.000 2.091 277 R HA -0.199 4.140 4.340 -0.001 0.000 0.238 277 R C 2.231 178.608 176.300 0.129 0.000 1.136 277 R CA 1.504 57.676 56.100 0.120 0.000 0.959 277 R CB -0.102 30.162 30.300 -0.061 0.000 0.856 277 R HN 0.233 nan 8.270 nan 0.000 0.437 278 E N 0.571 120.820 120.200 0.081 0.000 2.106 278 E HA -0.154 4.195 4.350 -0.001 0.000 0.192 278 E C 2.048 178.690 176.600 0.071 0.000 0.984 278 E CA 1.029 57.468 56.400 0.066 0.000 0.806 278 E CB -0.035 29.685 29.700 0.032 0.000 0.750 278 E HN 0.395 nan 8.360 nan 0.000 0.458 279 R N 0.033 120.579 120.500 0.077 0.000 2.092 279 R HA -0.064 4.276 4.340 -0.001 0.000 0.231 279 R C 2.426 178.796 176.300 0.117 0.000 1.119 279 R CA 0.949 57.049 56.100 -0.000 0.000 0.970 279 R CB -0.175 30.016 30.300 -0.183 0.000 0.864 279 R HN 0.030 nan 8.270 nan 0.000 0.440 280 V N 0.795 120.885 119.914 0.293 0.000 2.358 280 V HA -0.245 3.874 4.120 -0.001 0.000 0.246 280 V C 2.434 178.652 176.094 0.207 0.000 1.047 280 V CA 1.742 64.239 62.300 0.329 0.000 1.035 280 V CB -0.541 31.493 31.823 0.351 0.000 0.658 280 V HN 0.301 nan 8.190 nan 0.000 0.452 281 R N -0.138 120.463 120.500 0.168 0.000 2.081 281 R HA -0.242 4.098 4.340 -0.001 0.000 0.235 281 R C 2.418 178.769 176.300 0.085 0.000 1.131 281 R CA 1.911 58.085 56.100 0.124 0.000 0.960 281 R CB -0.242 30.124 30.300 0.111 0.000 0.856 281 R HN 0.428 nan 8.270 nan 0.000 0.436 282 Q N 0.790 120.629 119.800 0.065 0.000 2.224 282 Q HA -0.178 4.162 4.340 -0.001 0.000 0.203 282 Q C 1.615 177.637 176.000 0.037 0.000 0.970 282 Q CA 1.909 57.732 55.803 0.034 0.000 0.865 282 Q CB -0.026 28.715 28.738 0.005 0.000 0.922 282 Q HN 0.467 nan 8.270 nan 0.000 0.445 283 E N -0.531 119.705 120.200 0.061 0.000 2.106 283 E HA -0.228 4.121 4.350 -0.001 0.000 0.192 283 E C 1.678 178.321 176.600 0.072 0.000 0.984 283 E CA 1.174 57.618 56.400 0.074 0.000 0.806 283 E CB 0.071 29.849 29.700 0.130 0.000 0.750 283 E HN 0.562 nan 8.360 nan 0.000 0.458 284 Q N -0.097 119.750 119.800 0.079 0.000 2.230 284 Q HA -0.069 4.270 4.340 -0.001 0.000 0.202 284 Q C 1.793 177.821 176.000 0.046 0.000 0.963 284 Q CA 0.932 56.774 55.803 0.064 0.000 0.866 284 Q CB 0.001 28.782 28.738 0.072 0.000 0.931 284 Q HN 0.219 nan 8.270 nan 0.000 0.452 285 N N 1.720 120.445 118.700 0.042 0.000 2.331 285 N HA -0.137 4.602 4.740 -0.001 0.000 0.180 285 N C 1.472 176.996 175.510 0.023 0.000 1.019 285 N CA 1.113 54.180 53.050 0.029 0.000 0.881 285 N CB -0.189 38.313 38.487 0.026 0.000 0.972 285 N HN 0.399 nan 8.380 nan 0.000 0.435 286 K N 0.663 121.078 120.400 0.026 0.000 2.519 286 K HA -0.049 4.271 4.320 -0.001 0.000 0.196 286 K C 0.449 177.061 176.600 0.021 0.000 1.041 286 K CA 0.486 56.785 56.287 0.021 0.000 0.954 286 K CB 0.018 32.532 32.500 0.023 0.000 0.774 286 K HN 0.129 nan 8.250 nan 0.000 0.480 293 L N 3.493 124.716 121.223 -0.001 0.000 2.620 293 L HA 0.694 5.033 4.340 -0.001 0.000 0.261 293 L C -0.021 176.847 176.870 -0.003 0.000 0.978 293 L CA 0.196 55.036 54.840 0.000 0.000 0.897 293 L CB 1.128 43.187 42.059 0.001 0.000 1.207 293 L HN 1.041 nan 8.230 nan 0.000 0.425 294 T N 0.482 115.035 114.554 -0.003 0.000 2.884 294 T HA 0.648 4.997 4.350 -0.001 0.000 0.277 294 T C 1.265 175.960 174.700 -0.007 0.000 0.976 294 T CA 0.081 62.178 62.100 -0.006 0.000 0.956 294 T CB 1.662 70.527 68.868 -0.005 0.000 1.113 294 T HN 0.524 nan 8.240 nan 0.000 0.554 295 A N 0.087 122.900 122.820 -0.011 0.000 1.929 295 A HA 0.030 4.350 4.320 -0.001 0.000 0.216 295 A C 2.103 179.683 177.584 -0.007 0.000 1.176 295 A CA 1.386 53.415 52.037 -0.013 0.000 0.628 295 A CB -1.101 17.887 19.000 -0.021 0.000 0.816 295 A HN 0.910 nan 8.150 nan 0.000 0.444 296 E N -0.122 120.075 120.200 -0.005 0.000 2.118 296 E HA -0.126 4.223 4.350 -0.001 0.000 0.195 296 E C 1.986 178.589 176.600 0.005 0.000 0.992 296 E CA 1.897 58.297 56.400 -0.000 0.000 0.804 296 E CB -0.631 29.069 29.700 -0.001 0.000 0.741 296 E HN 0.600 nan 8.360 nan 0.000 0.458 297 T N 0.846 115.403 114.554 0.005 0.000 2.777 297 T HA -0.061 4.288 4.350 -0.001 0.000 0.266 297 T C 1.830 176.538 174.700 0.013 0.000 1.040 297 T CA 0.839 62.946 62.100 0.010 0.000 1.141 297 T CB -0.228 68.646 68.868 0.009 0.000 0.868 297 T HN 0.064 nan 8.240 nan 0.000 0.444 298 L N 0.258 121.485 121.223 0.008 0.000 2.275 298 L HA 0.007 4.347 4.340 -0.001 0.000 0.215 298 L C 1.993 178.870 176.870 0.012 0.000 1.119 298 L CA 1.106 55.950 54.840 0.008 0.000 0.790 298 L CB -0.418 41.639 42.059 -0.003 0.000 0.919 298 L HN 0.145 nan 8.230 nan 0.000 0.443 299 K N -0.062 120.344 120.400 0.011 0.000 2.504 299 K HA 0.053 4.372 4.320 -0.001 0.000 0.199 299 K C 0.670 177.283 176.600 0.021 0.000 1.028 299 K CA 0.225 56.520 56.287 0.014 0.000 1.164 299 K CB 0.201 32.707 32.500 0.009 0.000 0.877 299 K HN 0.112 nan 8.250 nan 0.000 0.508 300 K N 0.477 120.893 120.400 0.026 0.000 2.618 300 K HA 0.289 4.608 4.320 -0.001 0.000 0.207 300 K C -0.200 176.428 176.600 0.047 0.000 1.058 300 K CA -0.025 56.282 56.287 0.033 0.000 1.086 300 K CB 0.594 33.111 32.500 0.029 0.000 0.827 300 K HN 0.044 nan 8.250 nan 0.000 0.481 301 M N 1.388 121.019 119.600 0.052 0.000 2.952 301 M HA 0.158 4.638 4.480 -0.001 0.000 0.259 301 M C -2.049 174.299 176.300 0.079 0.000 1.306 301 M CA -1.547 53.797 55.300 0.073 0.000 0.626 301 M CB 1.167 33.806 32.600 0.064 0.000 1.423 301 M HN -0.146 nan 8.290 nan 0.000 0.459 302 P HA -0.187 nan 4.420 nan 0.000 0.218 302 P C 1.075 178.439 177.300 0.106 0.000 1.149 302 P CA 1.396 64.546 63.100 0.083 0.000 0.817 302 P CB 0.093 31.845 31.700 0.087 0.000 0.785 303 Y N 1.001 121.327 120.300 0.044 0.000 2.206 303 Y HA -0.069 4.480 4.550 -0.001 0.000 0.292 303 Y C 2.343 178.285 175.900 0.070 0.000 1.123 303 Y CA 0.771 58.902 58.100 0.051 0.000 1.142 303 Y CB -1.057 37.433 38.460 0.051 0.000 1.006 303 Y HN -0.261 nan 8.280 nan 0.000 0.518 304 L N 0.785 122.028 121.223 0.034 0.000 2.081 304 L HA -0.249 4.090 4.340 -0.001 0.000 0.212 304 L C 1.766 178.600 176.870 -0.061 0.000 1.080 304 L CA 2.246 57.084 54.840 -0.003 0.000 0.754 304 L CB -0.998 41.118 42.059 0.096 0.000 0.893 304 L HN 0.203 nan 8.230 nan 0.000 0.433 305 D N -0.753 119.618 120.400 -0.049 0.000 2.123 305 D HA -0.220 4.420 4.640 -0.001 0.000 0.196 305 D C 2.168 178.378 176.300 -0.150 0.000 0.992 305 D CA 1.514 55.475 54.000 -0.064 0.000 0.833 305 D CB -0.137 40.646 40.800 -0.029 0.000 0.954 305 D HN 0.564 nan 8.370 nan 0.000 0.455 306 Q N 0.265 119.950 119.800 -0.191 0.000 2.050 306 Q HA -0.104 4.235 4.340 -0.001 0.000 0.202 306 Q C 2.484 178.295 176.000 -0.315 0.000 0.980 306 Q CA 0.955 56.612 55.803 -0.242 0.000 0.840 306 Q CB -0.128 28.510 28.738 -0.166 0.000 0.898 306 Q HN 0.132 nan 8.270 nan 0.000 0.424 307 V N 1.487 121.184 119.914 -0.362 0.000 2.278 307 V HA -0.303 3.816 4.120 -0.001 0.000 0.251 307 V C 2.200 178.317 176.094 0.039 0.000 1.062 307 V CA 1.822 64.025 62.300 -0.161 0.000 1.038 307 V CB -0.649 31.125 31.823 -0.082 0.000 0.646 307 V HN 0.369 nan 8.190 nan 0.000 0.447 308 L N -0.848 120.382 121.223 0.011 0.000 2.156 308 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 308 L C 2.764 179.612 176.870 -0.038 0.000 1.095 308 L CA 1.061 55.936 54.840 0.059 0.000 0.770 308 L CB -0.689 41.394 42.059 0.040 0.000 0.914 308 L HN 0.337 nan 8.230 nan 0.000 0.439 309 Q N 0.199 119.841 119.800 -0.263 0.000 2.061 309 Q HA -0.264 4.075 4.340 -0.001 0.000 0.204 309 Q C 2.093 177.814 176.000 -0.465 0.000 0.984 309 Q CA 1.724 57.199 55.803 -0.546 0.000 0.846 309 Q CB -0.175 27.709 28.738 -1.424 0.000 0.902 309 Q HN 0.408 nan 8.270 nan 0.000 0.421 310 E N 0.290 120.266 120.200 -0.374 0.000 2.150 310 E HA -0.099 4.251 4.350 -0.001 0.000 0.193 310 E C 1.977 178.713 176.600 0.227 0.000 0.985 310 E CA 0.662 57.067 56.400 0.008 0.000 0.814 310 E CB -0.047 29.588 29.700 -0.109 0.000 0.752 310 E HN 0.078 nan 8.360 nan 0.000 0.466 311 V N 0.555 120.639 119.914 0.284 0.000 2.295 311 V HA -0.251 3.869 4.120 -0.001 0.000 0.246 311 V C 2.386 178.569 176.094 0.147 0.000 1.049 311 V CA 1.799 64.262 62.300 0.272 0.000 1.024 311 V CB -0.468 31.523 31.823 0.279 0.000 0.648 311 V HN 0.325 nan 8.190 nan 0.000 0.447 312 L N -0.604 120.678 121.223 0.098 0.000 2.201 312 L HA -0.127 4.212 4.340 -0.001 0.000 0.212 312 L C 2.715 179.637 176.870 0.087 0.000 1.105 312 L CA 1.247 56.108 54.840 0.036 0.000 0.775 312 L CB -0.600 41.425 42.059 -0.057 0.000 0.913 312 L HN 0.255 nan 8.230 nan 0.000 0.440 313 R N 0.363 120.932 120.500 0.115 0.000 2.062 313 R HA -0.167 4.173 4.340 -0.001 0.000 0.231 313 R C 2.267 178.583 176.300 0.025 0.000 1.136 313 R CA 1.540 57.601 56.100 -0.064 0.000 0.948 313 R CB -0.289 29.980 30.300 -0.052 0.000 0.845 313 R HN 0.217 nan 8.270 nan 0.000 0.430 314 L N 0.776 122.052 121.223 0.088 0.000 2.095 314 L HA 0.107 4.446 4.340 -0.001 0.000 0.204 314 L C 0.570 177.499 176.870 0.099 0.000 1.080 314 L CA 1.603 56.507 54.840 0.106 0.000 0.759 314 L CB 0.126 42.292 42.059 0.178 0.000 0.914 314 L HN 0.085 nan 8.230 nan 0.000 0.439 315 I N 1.007 121.630 120.570 0.089 0.000 2.595 315 I HA 0.279 4.448 4.170 -0.001 0.000 0.275 315 I C -2.362 173.779 176.117 0.040 0.000 1.092 315 I CA -1.783 59.551 61.300 0.056 0.000 1.145 315 I CB 1.026 39.048 38.000 0.037 0.000 1.276 315 I HN -0.016 nan 8.210 nan 0.000 0.497 316 P HA 0.190 nan 4.420 nan 0.000 0.271 316 P C -2.095 175.174 177.300 -0.051 0.000 1.226 316 P CA -1.299 61.789 63.100 -0.021 0.000 0.765 316 P CB 0.419 32.090 31.700 -0.049 0.000 0.835 317 P HA -0.083 nan 4.420 nan 0.000 0.218 317 P C -0.123 177.141 177.300 -0.060 0.000 1.149 317 P CA 1.158 64.222 63.100 -0.060 0.000 0.817 317 P CB 0.283 31.939 31.700 -0.075 0.000 0.785 318 V N -0.347 119.522 119.914 -0.075 0.000 2.417 318 V HA 0.424 4.544 4.120 -0.001 0.000 0.291 318 V C 1.552 177.601 176.094 -0.075 0.000 1.024 318 V CA -0.149 62.123 62.300 -0.047 0.000 0.861 318 V CB 1.144 32.972 31.823 0.008 0.000 0.985 318 V HN 0.024 nan 8.190 nan 0.000 0.436 319 G N 2.586 111.333 108.800 -0.088 0.000 2.464 319 G HA2 0.465 4.424 3.960 -0.001 0.000 0.217 319 G HA3 0.465 4.424 3.960 -0.001 0.000 0.217 319 G C 0.619 175.400 174.900 -0.198 0.000 1.138 319 G CA 0.880 45.910 45.100 -0.116 0.000 0.793 319 G HN 1.319 nan 8.290 nan 0.000 0.539 320 G N -2.254 106.384 108.800 -0.269 0.000 2.356 320 G HA2 0.551 4.511 3.960 -0.001 0.000 0.266 320 G HA3 0.551 4.511 3.960 -0.001 0.000 0.266 320 G C -0.468 174.000 174.900 -0.720 0.000 1.312 320 G CA -0.016 44.639 45.100 -0.741 0.000 0.922 320 G HN 1.038 nan 8.290 nan 0.000 0.480 321 G N -1.695 106.266 108.800 -1.399 0.000 2.866 321 G HA2 0.820 4.779 3.960 -0.001 0.000 0.289 321 G HA3 0.820 4.779 3.960 -0.001 0.000 0.289 321 G C -1.859 172.346 174.900 -1.158 0.000 1.396 321 G CA -0.780 43.739 45.100 -0.970 0.000 0.848 321 G HN 0.795 nan 8.290 nan 0.000 0.515 322 F N -0.138 119.455 119.950 -0.595 0.000 2.565 322 F HA 0.705 5.231 4.527 -0.001 0.000 0.313 322 F C 0.103 175.712 175.800 -0.319 0.000 1.091 322 F CA -1.067 56.685 58.000 -0.413 0.000 0.915 322 F CB 2.629 41.401 39.000 -0.379 0.000 1.208 322 F HN -0.042 nan 8.300 nan 0.000 0.453 323 R N 1.575 122.061 120.500 -0.023 0.000 2.532 323 R HA 0.257 4.596 4.340 -0.001 0.000 0.297 323 R C -0.932 175.448 176.300 0.133 0.000 0.984 323 R CA -0.778 55.343 56.100 0.035 0.000 0.884 323 R CB 2.184 32.492 30.300 0.013 0.000 1.182 323 R HN 0.766 nan 8.270 nan 0.000 0.442 324 E N 3.428 123.686 120.200 0.098 0.000 2.316 324 E HA 0.127 4.477 4.350 -0.001 0.000 0.275 324 E C -0.474 176.192 176.600 0.109 0.000 1.029 324 E CA -0.441 56.015 56.400 0.094 0.000 0.871 324 E CB 0.775 30.497 29.700 0.036 0.000 1.022 324 E HN 0.375 nan 8.360 nan 0.000 0.418 325 L N 6.402 127.692 121.223 0.111 0.000 2.456 325 L HA 0.057 4.396 4.340 -0.001 0.000 0.277 325 L C 0.913 177.765 176.870 -0.030 0.000 1.124 325 L CA 0.010 54.847 54.840 -0.005 0.000 0.880 325 L CB 0.197 42.302 42.059 0.076 0.000 1.192 325 L HN 0.647 nan 8.230 nan 0.000 0.463 326 I N -0.137 120.372 120.570 -0.101 0.000 3.875 326 I HA 0.286 4.455 4.170 -0.001 0.000 0.329 326 I C 0.743 176.816 176.117 -0.072 0.000 1.295 326 I CA 0.297 61.559 61.300 -0.064 0.000 1.129 326 I CB -0.424 37.543 38.000 -0.054 0.000 1.008 326 I HN 0.580 nan 8.210 nan 0.000 0.413 327 Q N 0.437 120.175 119.800 -0.103 0.000 2.456 327 Q HA 0.554 4.894 4.340 -0.001 0.000 0.284 327 Q C -1.425 174.554 176.000 -0.035 0.000 1.061 327 Q CA -0.802 54.960 55.803 -0.068 0.000 0.799 327 Q CB 0.855 29.538 28.738 -0.092 0.000 1.445 327 Q HN 0.407 nan 8.270 nan 0.000 0.411 328 D N -0.266 120.141 120.400 0.011 0.000 2.390 328 D HA 0.530 5.169 4.640 -0.001 0.000 0.249 328 D C -0.544 175.810 176.300 0.090 0.000 1.144 328 D CA 0.591 54.635 54.000 0.072 0.000 0.880 328 D CB 0.633 41.490 40.800 0.095 0.000 1.182 328 D HN 0.722 nan 8.370 nan 0.000 0.451 329 C N 2.260 121.661 119.300 0.169 0.000 3.259 329 C HA 0.675 5.134 4.460 -0.001 0.000 0.328 329 C C -1.389 173.758 174.990 0.260 0.000 1.425 329 C CA -0.580 58.547 59.018 0.183 0.000 1.465 329 C CB 1.949 29.799 27.740 0.183 0.000 1.890 329 C HN 0.698 nan 8.230 nan 0.000 0.450 330 Q N 0.950 120.843 119.800 0.155 0.000 2.295 330 Q HA 0.627 4.966 4.340 -0.001 0.000 0.268 330 Q C -2.314 173.639 176.000 -0.079 0.000 1.010 330 Q CA -0.297 55.573 55.803 0.113 0.000 0.856 330 Q CB 2.118 30.907 28.738 0.084 0.000 1.349 330 Q HN 0.733 nan 8.270 nan 0.000 0.412 331 F N 3.629 123.360 119.950 -0.364 0.000 2.630 331 F HA 0.251 4.777 4.527 -0.001 0.000 0.325 331 F C -0.219 175.469 175.800 -0.186 0.000 1.184 331 F CA -0.047 57.582 58.000 -0.618 0.000 1.011 331 F CB 1.622 39.665 39.000 -1.595 0.000 1.268 331 F HN 0.911 nan 8.300 nan 0.000 0.480 332 Q N 4.434 123.754 119.800 -0.801 0.000 2.494 332 Q HA -0.182 4.158 4.340 -0.001 0.000 0.266 332 Q C 0.815 176.596 176.000 -0.365 0.000 1.053 332 Q CA 1.415 56.855 55.803 -0.605 0.000 1.029 332 Q CB -1.317 26.994 28.738 -0.711 0.000 1.423 332 Q HN 1.924 nan 8.270 nan 0.000 0.516 333 G N -1.700 106.898 108.800 -0.337 0.000 2.131 333 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.223 333 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.223 333 G C -0.446 174.127 174.900 -0.544 0.000 0.990 333 G CA 0.091 44.927 45.100 -0.439 0.000 0.671 333 G HN 0.262 nan 8.290 nan 0.000 0.521 334 F N -0.019 119.972 119.950 0.068 0.000 2.563 334 F HA 0.528 5.054 4.527 -0.001 0.000 0.316 334 F C 0.407 176.382 175.800 0.292 0.000 1.076 334 F CA -1.301 56.811 58.000 0.187 0.000 0.921 334 F CB 1.493 40.669 39.000 0.293 0.000 1.209 334 F HN 0.146 nan 8.300 nan 0.000 0.462 335 H N 3.260 122.523 119.070 0.321 0.000 2.782 335 H HA 0.273 4.829 4.556 -0.001 0.000 0.285 335 H C -1.281 174.164 175.328 0.196 0.000 1.093 335 H CA -0.463 55.698 56.048 0.189 0.000 1.410 335 H CB 0.356 30.137 29.762 0.030 0.000 1.439 335 H HN 0.355 nan 8.280 nan 0.000 0.469 336 F N 7.691 127.604 119.950 -0.062 0.000 2.377 336 F HA 0.251 4.778 4.527 -0.001 0.000 0.360 336 F C -1.984 173.586 175.800 -0.383 0.000 1.147 336 F CA -2.696 55.196 58.000 -0.180 0.000 1.170 336 F CB 0.730 39.784 39.000 0.090 0.000 1.339 336 F HN 0.541 nan 8.300 nan 0.000 0.552 337 P HA 0.072 nan 4.420 nan 0.000 0.275 337 P C -0.255 176.893 177.300 -0.253 0.000 1.228 337 P CA -0.651 61.998 63.100 -0.752 0.000 0.786 337 P CB 0.747 31.573 31.700 -1.456 0.000 0.927 338 K N 1.370 121.730 120.400 -0.068 0.000 2.380 338 K HA 0.225 4.545 4.320 -0.001 0.000 0.267 338 K C 1.271 177.949 176.600 0.131 0.000 0.990 338 K CA 0.986 57.293 56.287 0.033 0.000 0.946 338 K CB -0.595 31.925 32.500 0.034 0.000 0.937 338 K HN 0.744 nan 8.250 nan 0.000 0.491 339 G N 2.178 111.066 108.800 0.146 0.000 2.267 339 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.257 339 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.257 339 G C -0.444 174.606 174.900 0.251 0.000 0.998 339 G CA 0.330 45.534 45.100 0.173 0.000 0.620 339 G HN 0.572 nan 8.290 nan 0.000 0.529 340 W N -0.013 121.270 121.300 -0.029 0.000 2.183 340 W HA 0.750 5.409 4.660 -0.001 0.000 0.348 340 W C 0.348 176.864 176.519 -0.004 0.000 1.257 340 W CA -0.835 56.489 57.345 -0.034 0.000 1.324 340 W CB 0.349 29.774 29.460 -0.058 0.000 1.144 340 W HN 0.089 nan 8.180 nan 0.000 0.622 341 L N 1.445 122.766 121.223 0.163 0.000 2.331 341 L HA 0.552 4.892 4.340 -0.001 0.000 0.275 341 L C -0.418 176.530 176.870 0.129 0.000 1.022 341 L CA -0.882 54.029 54.840 0.118 0.000 0.812 341 L CB 1.471 43.555 42.059 0.040 0.000 1.257 341 L HN 0.012 nan 8.230 nan 0.000 0.435 342 V N 1.389 121.374 119.914 0.117 0.000 2.448 342 V HA 0.552 4.671 4.120 -0.001 0.000 0.295 342 V C -0.277 175.699 176.094 -0.196 0.000 1.025 342 V CA -0.579 61.737 62.300 0.026 0.000 0.859 342 V CB 1.778 33.727 31.823 0.211 0.000 0.988 342 V HN 0.744 nan 8.190 nan 0.000 0.431 343 S N 4.539 119.946 115.700 -0.488 0.000 2.456 343 S HA 0.630 5.100 4.470 -0.001 0.000 0.316 343 S C -0.847 173.300 174.600 -0.755 0.000 1.089 343 S CA -0.591 57.048 58.200 -0.934 0.000 1.101 343 S CB 0.509 62.713 63.200 -1.659 0.000 0.995 343 S HN 0.682 nan 8.310 nan 0.000 0.468 344 Y N 3.377 123.292 120.300 -0.642 0.000 2.313 344 Y HA 0.707 5.256 4.550 -0.001 0.000 0.332 344 Y C -0.189 175.508 175.900 -0.338 0.000 1.071 344 Y CA -0.843 57.003 58.100 -0.423 0.000 1.169 344 Y CB 0.743 38.980 38.460 -0.371 0.000 1.192 344 Y HN 0.337 nan 8.280 nan 0.000 0.487 345 Q N 5.466 125.174 119.800 -0.155 0.000 2.368 345 Q HA 0.339 4.679 4.340 -0.001 0.000 0.263 345 Q C 0.697 176.691 176.000 -0.011 0.000 1.009 345 Q CA -0.268 55.481 55.803 -0.091 0.000 0.818 345 Q CB 1.923 30.750 28.738 0.148 0.000 1.239 345 Q HN 1.089 nan 8.270 nan 0.000 0.464 346 I N 0.483 120.994 120.570 -0.097 0.000 2.315 346 I HA -0.306 3.864 4.170 -0.001 0.000 0.248 346 I C 2.070 178.037 176.117 -0.250 0.000 1.117 346 I CA 1.439 62.628 61.300 -0.184 0.000 1.404 346 I CB -0.191 37.668 38.000 -0.234 0.000 1.071 346 I HN 0.492 nan 8.210 nan 0.000 0.419 347 S N 0.725 116.371 115.700 -0.090 0.000 2.383 347 S HA -0.270 4.199 4.470 -0.001 0.000 0.229 347 S C 1.911 176.567 174.600 0.094 0.000 1.030 347 S CA 1.174 59.382 58.200 0.014 0.000 1.002 347 S CB -0.612 62.617 63.200 0.048 0.000 0.829 347 S HN 0.525 nan 8.310 nan 0.000 0.467 348 Q N 0.723 120.596 119.800 0.121 0.000 2.079 348 Q HA -0.054 4.286 4.340 -0.001 0.000 0.200 348 Q C 2.402 178.524 176.000 0.203 0.000 0.974 348 Q CA 1.784 57.694 55.803 0.178 0.000 0.840 348 Q CB -0.625 28.246 28.738 0.222 0.000 0.898 348 Q HN 0.635 nan 8.270 nan 0.000 0.430 349 T N 0.005 114.676 114.554 0.194 0.000 2.746 349 T HA -0.157 4.193 4.350 -0.001 0.000 0.267 349 T C 1.349 176.329 174.700 0.466 0.000 1.039 349 T CA 1.228 63.505 62.100 0.295 0.000 1.142 349 T CB -0.325 68.711 68.868 0.280 0.000 0.866 349 T HN 0.447 nan 8.240 nan 0.000 0.444 350 H N -0.066 119.124 119.070 0.199 0.000 2.559 350 H HA 0.290 4.846 4.556 -0.001 0.000 0.273 350 H C 2.034 177.378 175.328 0.026 0.000 1.000 350 H CA 0.291 56.345 56.048 0.010 0.000 1.195 350 H CB 0.170 29.881 29.762 -0.085 0.000 1.368 350 H HN 0.343 nan 8.280 nan 0.000 0.592 351 A N 0.418 123.402 122.820 0.274 0.000 2.343 351 A HA -0.012 4.308 4.320 -0.001 0.000 0.223 351 A C 0.454 178.186 177.584 0.248 0.000 1.214 351 A CA -0.269 51.899 52.037 0.218 0.000 0.900 351 A CB 0.373 19.472 19.000 0.164 0.000 0.942 351 A HN 0.140 nan 8.150 nan 0.000 0.507 352 D N 1.656 122.239 120.400 0.305 0.000 2.402 352 D HA 0.049 4.688 4.640 -0.001 0.000 0.268 352 D C -1.407 175.023 176.300 0.216 0.000 1.294 352 D CA -1.540 52.607 54.000 0.244 0.000 0.945 352 D CB 1.023 41.967 40.800 0.241 0.000 1.112 352 D HN 0.176 nan 8.370 nan 0.000 0.517 353 P HA -0.059 nan 4.420 nan 0.000 0.234 353 P C 0.345 177.683 177.300 0.063 0.000 1.167 353 P CA 0.475 63.643 63.100 0.113 0.000 0.763 353 P CB 0.579 32.334 31.700 0.090 0.000 0.835 354 D N -0.638 119.791 120.400 0.049 0.000 2.216 354 D HA -0.023 4.617 4.640 -0.001 0.000 0.208 354 D C 1.930 178.191 176.300 -0.065 0.000 0.960 354 D CA 0.603 54.606 54.000 0.006 0.000 0.861 354 D CB -0.286 40.527 40.800 0.022 0.000 0.985 354 D HN 0.049 nan 8.370 nan 0.000 0.493 355 L N -0.160 121.003 121.223 -0.100 0.000 2.044 355 L HA -0.092 4.247 4.340 -0.001 0.000 0.205 355 L C 0.336 176.778 176.870 -0.713 0.000 1.075 355 L CA 1.451 56.056 54.840 -0.393 0.000 0.747 355 L CB -0.544 41.322 42.059 -0.322 0.000 0.903 355 L HN 0.065 nan 8.230 nan 0.000 0.435 356 Y N -1.007 119.308 120.300 0.025 0.000 2.748 356 Y HA 0.378 4.928 4.550 -0.001 0.000 0.359 356 Y C -2.123 173.783 175.900 0.010 0.000 1.030 356 Y CA -3.419 54.680 58.100 -0.001 0.000 1.169 356 Y CB -0.091 38.385 38.460 0.026 0.000 1.127 356 Y HN -0.007 nan 8.280 nan 0.000 0.644 357 P HA -0.088 nan 4.420 nan 0.000 0.261 357 P C -0.242 177.103 177.300 0.076 0.000 1.165 357 P CA 0.829 63.961 63.100 0.053 0.000 0.759 357 P CB 0.446 32.155 31.700 0.014 0.000 0.772 358 D N 2.876 123.320 120.400 0.074 0.000 2.927 358 D HA -0.141 4.498 4.640 -0.001 0.000 0.236 358 D C -1.417 174.942 176.300 0.098 0.000 1.163 358 D CA 0.157 54.203 54.000 0.076 0.000 0.801 358 D CB -0.932 39.904 40.800 0.061 0.000 0.975 358 D HN 0.352 nan 8.370 nan 0.000 0.413 359 P HA -0.132 nan 4.420 nan 0.000 0.223 359 P C 1.244 178.607 177.300 0.106 0.000 1.151 359 P CA 0.826 64.007 63.100 0.135 0.000 0.787 359 P CB 0.472 32.265 31.700 0.155 0.000 0.788 360 E N -0.019 120.240 120.200 0.099 0.000 2.418 360 E HA -0.013 4.336 4.350 -0.001 0.000 0.197 360 E C 0.593 177.266 176.600 0.122 0.000 1.026 360 E CA 0.614 57.074 56.400 0.100 0.000 0.862 360 E CB -0.099 29.652 29.700 0.085 0.000 0.799 360 E HN 0.358 nan 8.360 nan 0.000 0.518 361 K N 0.919 121.390 120.400 0.118 0.000 2.276 361 K HA 0.084 4.403 4.320 -0.001 0.000 0.283 361 K C -0.104 176.582 176.600 0.143 0.000 1.044 361 K CA -0.475 55.891 56.287 0.131 0.000 0.944 361 K CB 0.487 33.042 32.500 0.092 0.000 1.012 361 K HN -0.091 nan 8.250 nan 0.000 0.472 362 F N 3.386 123.324 119.950 -0.020 0.000 2.438 362 F HA 0.089 4.616 4.527 -0.001 0.000 0.360 362 F C -0.274 175.444 175.800 -0.136 0.000 1.118 362 F CA -0.632 57.297 58.000 -0.117 0.000 1.164 362 F CB 0.341 39.171 39.000 -0.283 0.000 1.131 362 F HN 0.407 nan 8.300 nan 0.000 0.527 363 D N 8.493 128.601 120.400 -0.487 0.000 2.330 363 D HA 0.345 4.985 4.640 -0.001 0.000 0.249 363 D C -2.195 173.904 176.300 -0.335 0.000 1.306 363 D CA -2.018 51.756 54.000 -0.376 0.000 0.956 363 D CB 1.626 42.343 40.800 -0.139 0.000 1.261 363 D HN 0.153 nan 8.370 nan 0.000 0.544 364 P HA -0.144 nan 4.420 nan 0.000 0.218 364 P C 1.041 178.342 177.300 0.001 0.000 1.146 364 P CA 0.774 63.749 63.100 -0.207 0.000 0.813 364 P CB 0.395 31.913 31.700 -0.304 0.000 0.778 365 E N -0.402 119.792 120.200 -0.010 0.000 2.267 365 E HA -0.156 4.194 4.350 -0.001 0.000 0.197 365 E C 1.918 178.481 176.600 -0.061 0.000 0.998 365 E CA 0.747 57.153 56.400 0.010 0.000 0.830 365 E CB -0.516 29.183 29.700 -0.001 0.000 0.751 365 E HN 0.367 nan 8.360 nan 0.000 0.491 366 R N -0.544 119.877 120.500 -0.131 0.000 2.139 366 R HA -0.125 4.214 4.340 -0.001 0.000 0.243 366 R C 1.338 177.336 176.300 -0.503 0.000 1.145 366 R CA 1.156 57.050 56.100 -0.343 0.000 0.976 366 R CB -0.230 29.788 30.300 -0.470 0.000 0.866 366 R HN 0.161 nan 8.270 nan 0.000 0.449 367 F N -0.494 119.389 119.950 -0.111 0.000 2.653 367 F HA 0.168 4.694 4.527 -0.001 0.000 0.304 367 F C 0.652 176.406 175.800 -0.077 0.000 1.092 367 F CA -0.187 57.744 58.000 -0.115 0.000 1.279 367 F CB 0.436 39.350 39.000 -0.144 0.000 1.044 367 F HN -0.252 nan 8.300 nan 0.000 0.564 368 T N 3.583 118.170 114.554 0.055 0.000 2.930 368 T HA 0.007 4.357 4.350 -0.001 0.000 0.306 368 T C -1.186 173.506 174.700 -0.013 0.000 1.045 368 T CA -0.865 61.262 62.100 0.045 0.000 1.134 368 T CB 0.925 69.816 68.868 0.040 0.000 0.961 368 T HN -0.067 nan 8.240 nan 0.000 0.545 369 P HA -0.182 nan 4.420 nan 0.000 0.219 369 P C 0.672 177.932 177.300 -0.067 0.000 1.153 369 P CA 1.442 64.536 63.100 -0.011 0.000 0.865 369 P CB 0.226 31.936 31.700 0.016 0.000 0.788 370 D N -1.309 119.042 120.400 -0.082 0.000 2.501 370 D HA 0.171 4.811 4.640 -0.001 0.000 0.226 370 D C 1.098 177.239 176.300 -0.265 0.000 1.198 370 D CA -0.014 53.902 54.000 -0.140 0.000 0.830 370 D CB 0.365 41.175 40.800 0.016 0.000 1.014 370 D HN 0.067 nan 8.370 nan 0.000 0.496 371 G N 0.355 108.998 108.800 -0.262 0.000 2.634 371 G HA2 0.145 4.105 3.960 -0.001 0.000 0.255 371 G HA3 0.145 4.105 3.960 -0.001 0.000 0.255 371 G C 1.311 175.984 174.900 -0.379 0.000 1.205 371 G CA -0.050 44.897 45.100 -0.255 0.000 0.884 371 G HN 0.083 nan 8.290 nan 0.000 0.549 372 S N -0.025 115.505 115.700 -0.283 0.000 2.400 372 S HA -0.146 4.324 4.470 -0.001 0.000 0.232 372 S C 2.476 176.873 174.600 -0.338 0.000 1.025 372 S CA 1.516 59.562 58.200 -0.257 0.000 0.993 372 S CB -0.421 62.669 63.200 -0.183 0.000 0.808 372 S HN 0.991 nan 8.310 nan 0.000 0.478 373 A N 2.122 124.659 122.820 -0.471 0.000 1.969 373 A HA -0.019 4.300 4.320 -0.001 0.000 0.218 373 A C 2.516 179.900 177.584 -0.334 0.000 1.169 373 A CA 1.929 53.639 52.037 -0.545 0.000 0.635 373 A CB -1.503 16.827 19.000 -1.117 0.000 0.810 373 A HN 0.772 nan 8.150 nan 0.000 0.445 374 T N -3.777 110.578 114.554 -0.333 0.000 3.035 374 T HA -0.089 4.261 4.350 -0.001 0.000 0.268 374 T C 1.161 175.794 174.700 -0.113 0.000 1.109 374 T CA 1.337 63.307 62.100 -0.217 0.000 1.119 374 T CB -0.474 68.243 68.868 -0.252 0.000 0.900 374 T HN 0.535 nan 8.240 nan 0.000 0.503 375 H N 1.049 120.061 119.070 -0.097 0.000 2.505 375 H HA 0.456 5.012 4.556 -0.001 0.000 0.289 375 H C 0.128 175.406 175.328 -0.083 0.000 1.052 375 H CA -0.986 55.017 56.048 -0.076 0.000 1.156 375 H CB -0.670 29.050 29.762 -0.069 0.000 1.507 375 H HN 0.567 nan 8.280 nan 0.000 0.548 376 N N 2.466 121.159 118.700 -0.011 0.000 2.515 376 N HA 0.128 4.867 4.740 -0.001 0.000 0.279 376 N C -1.958 173.553 175.510 0.002 0.000 1.164 376 N CA -1.310 51.715 53.050 -0.041 0.000 0.982 376 N CB 1.148 39.562 38.487 -0.122 0.000 1.170 376 N HN 0.110 nan 8.380 nan 0.000 0.474 377 P HA 0.241 nan 4.420 nan 0.000 0.277 377 P C -2.715 174.597 177.300 0.020 0.000 1.276 377 P CA -0.894 62.223 63.100 0.028 0.000 0.788 377 P CB -0.384 31.350 31.700 0.056 0.000 1.114 378 P HA 0.202 nan 4.420 nan 0.000 0.274 378 P C -0.581 176.686 177.300 -0.055 0.000 1.237 378 P CA -0.140 62.837 63.100 -0.205 0.000 0.793 378 P CB -0.108 31.326 31.700 -0.444 0.000 0.977 379 F N -1.681 118.369 119.950 0.167 0.000 3.080 379 F HA -0.216 4.310 4.527 -0.001 0.000 0.292 379 F C 1.254 177.201 175.800 0.245 0.000 0.891 379 F CA 0.669 58.797 58.000 0.213 0.000 1.086 379 F CB -2.589 36.556 39.000 0.243 0.000 1.095 379 F HN 0.375 nan 8.300 nan 0.000 0.633 380 A N -1.514 121.523 122.820 0.361 0.000 2.014 380 A HA 0.154 4.474 4.320 -0.001 0.000 0.210 380 A C 0.670 178.627 177.584 0.623 0.000 1.188 380 A CA 0.980 53.249 52.037 0.387 0.000 0.731 380 A CB -0.007 19.102 19.000 0.181 0.000 0.858 380 A HN 0.498 nan 8.150 nan 0.000 0.464 381 H N -0.115 119.226 119.070 0.452 0.000 2.685 381 H HA 0.483 5.038 4.556 -0.001 0.000 0.307 381 H C -0.576 175.033 175.328 0.468 0.000 1.017 381 H CA -0.246 56.092 56.048 0.483 0.000 1.237 381 H CB 1.318 31.329 29.762 0.415 0.000 1.409 381 H HN 0.154 nan 8.280 nan 0.000 0.488 382 V N 4.213 124.367 119.914 0.401 0.000 2.771 382 V HA 0.328 4.447 4.120 -0.001 0.000 0.355 382 V C -2.271 173.827 176.094 0.006 0.000 1.289 382 V CA -0.915 61.500 62.300 0.192 0.000 1.231 382 V CB 0.854 32.833 31.823 0.260 0.000 1.396 382 V HN 0.584 nan 8.190 nan 0.000 0.628 383 P HA 0.016 nan 4.420 nan 0.000 0.223 383 P C 0.820 177.853 177.300 -0.444 0.000 1.151 383 P CA 1.106 64.004 63.100 -0.336 0.000 0.787 383 P CB 0.065 31.433 31.700 -0.553 0.000 0.788 384 F N -0.216 119.727 119.950 -0.012 0.000 2.641 384 F HA 0.404 4.930 4.527 -0.001 0.000 0.302 384 F C 1.874 177.656 175.800 -0.029 0.000 1.098 384 F CA 0.444 58.438 58.000 -0.010 0.000 1.318 384 F CB -0.501 38.484 39.000 -0.026 0.000 1.035 384 F HN 0.045 nan 8.300 nan 0.000 0.551 385 G N 0.553 109.404 108.800 0.086 0.000 2.528 385 G HA2 0.156 4.116 3.960 -0.001 0.000 0.262 385 G HA3 0.156 4.116 3.960 -0.001 0.000 0.262 385 G C 0.163 174.754 174.900 -0.514 0.000 1.200 385 G CA -0.334 44.703 45.100 -0.106 0.000 0.951 385 G HN 0.988 nan 8.290 nan 0.000 0.566 386 G N -3.191 104.969 108.800 -1.065 0.000 2.441 386 G HA2 0.753 4.713 3.960 -0.001 0.000 0.294 386 G HA3 0.753 4.713 3.960 -0.001 0.000 0.294 386 G C 0.977 175.293 174.900 -0.974 0.000 1.393 386 G CA 1.188 45.621 45.100 -1.111 0.000 0.796 386 G HN 2.849 nan 8.290 nan 0.000 0.494 387 G N -1.015 107.511 108.800 -0.456 0.000 2.566 387 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.280 387 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.280 387 G C 1.298 176.142 174.900 -0.093 0.000 1.225 387 G CA 0.582 45.587 45.100 -0.157 0.000 0.966 387 G HN 1.404 nan 8.290 nan 0.000 0.560 388 L N 0.439 121.650 121.223 -0.021 0.000 2.201 388 L HA 0.028 4.367 4.340 -0.001 0.000 0.212 388 L C 2.767 179.701 176.870 0.107 0.000 1.105 388 L CA 1.287 56.157 54.840 0.051 0.000 0.775 388 L CB -0.353 41.756 42.059 0.083 0.000 0.913 388 L HN 0.350 nan 8.230 nan 0.000 0.440 389 R N 0.258 120.777 120.500 0.032 0.000 2.359 389 R HA 0.118 4.458 4.340 -0.001 0.000 0.231 389 R C 0.170 176.494 176.300 0.039 0.000 0.913 389 R CA -0.125 56.020 56.100 0.074 0.000 1.075 389 R CB -0.460 29.866 30.300 0.042 0.000 1.087 389 R HN 0.379 nan 8.270 nan 0.000 0.515 390 E N 0.877 121.048 120.200 -0.048 0.000 2.502 390 E HA -0.116 4.233 4.350 -0.001 0.000 0.261 390 E C -0.387 176.218 176.600 0.007 0.000 0.974 390 E CA 0.006 56.367 56.400 -0.064 0.000 0.936 390 E CB 0.673 30.311 29.700 -0.104 0.000 0.926 390 E HN 0.128 nan 8.360 nan 0.000 0.459 391 C N 6.798 126.136 119.300 0.064 0.000 2.155 391 C HA -0.123 4.337 4.460 -0.001 0.000 0.396 391 C C 1.918 176.866 174.990 -0.070 0.000 1.545 391 C CA -0.312 58.745 59.018 0.066 0.000 1.442 391 C CB -1.164 26.712 27.740 0.226 0.000 2.553 391 C HN 0.812 nan 8.230 nan 0.000 0.598 392 L N 5.464 126.625 121.223 -0.103 0.000 2.156 392 L HA 0.082 4.422 4.340 -0.001 0.000 0.208 392 L C 2.177 178.721 176.870 -0.543 0.000 1.095 392 L CA 2.294 57.004 54.840 -0.217 0.000 0.770 392 L CB -0.854 41.120 42.059 -0.142 0.000 0.914 392 L HN 1.007 nan 8.230 nan 0.000 0.439 393 G N -0.474 107.988 108.800 -0.563 0.000 3.284 393 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.236 393 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.236 393 G C 1.415 176.141 174.900 -0.290 0.000 1.158 393 G CA 0.051 44.703 45.100 -0.746 0.000 0.774 393 G HN 0.478 nan 8.290 nan 0.000 0.545 394 K N 0.593 120.786 120.400 -0.345 0.000 2.113 394 K HA -0.098 4.221 4.320 -0.001 0.000 0.208 394 K C 1.428 177.778 176.600 -0.416 0.000 1.047 394 K CA 1.236 57.133 56.287 -0.651 0.000 0.928 394 K CB -0.042 31.712 32.500 -1.243 0.000 0.716 394 K HN 0.109 nan 8.250 nan 0.000 0.446 395 E N 0.329 120.418 120.200 -0.185 0.000 2.299 395 E HA -0.060 4.290 4.350 -0.001 0.000 0.193 395 E C 1.693 178.368 176.600 0.125 0.000 0.998 395 E CA 0.453 56.835 56.400 -0.029 0.000 0.851 395 E CB -0.244 29.476 29.700 0.032 0.000 0.795 395 E HN 0.381 nan 8.360 nan 0.000 0.492 396 F N 1.998 122.009 119.950 0.102 0.000 2.084 396 F HA -0.128 4.398 4.527 -0.001 0.000 0.296 396 F C 2.290 178.162 175.800 0.119 0.000 1.111 396 F CA 1.481 59.623 58.000 0.236 0.000 1.224 396 F CB -0.245 39.038 39.000 0.472 0.000 0.991 396 F HN -0.000 nan 8.300 nan 0.000 0.471 397 A N 0.853 123.839 122.820 0.277 0.000 1.903 397 A HA -0.269 4.050 4.320 -0.001 0.000 0.219 397 A C 2.309 179.931 177.584 0.063 0.000 1.191 397 A CA 2.221 54.368 52.037 0.184 0.000 0.638 397 A CB -0.859 18.313 19.000 0.286 0.000 0.823 397 A HN 0.502 nan 8.150 nan 0.000 0.451 398 R N -1.404 119.116 120.500 0.032 0.000 2.075 398 R HA -0.053 4.286 4.340 -0.001 0.000 0.232 398 R C 2.145 178.420 176.300 -0.042 0.000 1.126 398 R CA 1.202 57.309 56.100 0.012 0.000 0.963 398 R CB -0.563 29.735 30.300 -0.005 0.000 0.858 398 R HN 0.489 nan 8.270 nan 0.000 0.435 399 L N 1.623 122.802 121.223 -0.074 0.000 1.970 399 L HA -0.216 4.123 4.340 -0.001 0.000 0.212 399 L C 2.209 178.983 176.870 -0.160 0.000 1.071 399 L CA 1.962 56.734 54.840 -0.114 0.000 0.751 399 L CB -0.663 41.316 42.059 -0.134 0.000 0.889 399 L HN 0.157 nan 8.230 nan 0.000 0.432 400 E N -1.029 119.009 120.200 -0.270 0.000 2.085 400 E HA -0.285 4.065 4.350 -0.001 0.000 0.194 400 E C 2.213 178.743 176.600 -0.118 0.000 0.994 400 E CA 1.855 58.114 56.400 -0.235 0.000 0.801 400 E CB -0.195 29.312 29.700 -0.322 0.000 0.743 400 E HN 0.552 nan 8.360 nan 0.000 0.453 401 M N 0.204 119.738 119.600 -0.111 0.000 2.108 401 M HA -0.202 4.277 4.480 -0.001 0.000 0.261 401 M C 2.489 178.706 176.300 -0.140 0.000 1.066 401 M CA 1.541 56.767 55.300 -0.124 0.000 1.107 401 M CB -0.147 32.397 32.600 -0.093 0.000 1.356 401 M HN -0.015 nan 8.290 nan 0.000 0.406 402 K N 0.128 120.471 120.400 -0.095 0.000 2.076 402 K HA -0.125 4.194 4.320 -0.001 0.000 0.204 402 K C 1.936 178.501 176.600 -0.059 0.000 1.051 402 K CA 0.705 56.945 56.287 -0.078 0.000 0.949 402 K CB -0.034 32.440 32.500 -0.042 0.000 0.726 402 K HN 0.108 nan 8.250 nan 0.000 0.443 403 L N 1.318 122.513 121.223 -0.046 0.000 1.971 403 L HA -0.194 4.145 4.340 -0.001 0.000 0.215 403 L C 2.009 178.875 176.870 -0.006 0.000 1.072 403 L CA 1.723 56.548 54.840 -0.025 0.000 0.758 403 L CB -1.154 40.887 42.059 -0.031 0.000 0.889 403 L HN 0.182 nan 8.230 nan 0.000 0.433 404 F N 0.323 120.188 119.950 -0.141 0.000 2.069 404 F HA -0.238 4.288 4.527 -0.002 0.000 0.298 404 F C 2.350 178.066 175.800 -0.139 0.000 1.113 404 F CA 2.096 60.016 58.000 -0.134 0.000 1.214 404 F CB -0.736 38.147 39.000 -0.196 0.000 0.978 404 F HN 0.161 nan 8.300 nan 0.000 0.474 405 A N -0.389 122.269 122.820 -0.270 0.000 1.892 405 A HA -0.239 4.081 4.320 -0.001 0.000 0.218 405 A C 2.203 179.749 177.584 -0.063 0.000 1.188 405 A CA 2.576 54.407 52.037 -0.342 0.000 0.631 405 A CB -1.546 17.143 19.000 -0.518 0.000 0.822 405 A HN 0.495 nan 8.150 nan 0.000 0.447 406 T N -0.493 114.031 114.554 -0.049 0.000 2.652 406 T HA -0.134 4.215 4.350 -0.001 0.000 0.267 406 T C 2.159 176.863 174.700 0.007 0.000 1.039 406 T CA 1.487 63.595 62.100 0.014 0.000 1.153 406 T CB -0.220 68.652 68.868 0.008 0.000 0.863 406 T HN 0.351 nan 8.240 nan 0.000 0.428 407 R N 0.650 121.121 120.500 -0.050 0.000 2.073 407 R HA 0.112 4.451 4.340 -0.001 0.000 0.229 407 R C 2.377 178.681 176.300 0.007 0.000 1.120 407 R CA 0.646 56.730 56.100 -0.026 0.000 0.967 407 R CB -1.311 28.971 30.300 -0.029 0.000 0.862 407 R HN 0.311 nan 8.270 nan 0.000 0.436 408 L N 1.095 122.241 121.223 -0.128 0.000 2.013 408 L HA -0.121 4.219 4.340 -0.001 0.000 0.212 408 L C 2.057 179.093 176.870 0.278 0.000 1.073 408 L CA 1.724 56.564 54.840 -0.000 0.000 0.753 408 L CB -0.419 41.392 42.059 -0.413 0.000 0.890 408 L HN 0.089 nan 8.230 nan 0.000 0.432 409 I N -0.780 119.944 120.570 0.257 0.000 2.406 409 I HA -0.232 3.937 4.170 -0.001 0.000 0.249 409 I C 2.533 178.783 176.117 0.221 0.000 1.122 409 I CA 1.072 62.586 61.300 0.356 0.000 1.431 409 I CB -0.282 37.938 38.000 0.367 0.000 1.087 409 I HN 0.492 nan 8.210 nan 0.000 0.424 410 Q N 0.807 120.688 119.800 0.134 0.000 2.226 410 Q HA -0.239 4.100 4.340 -0.001 0.000 0.204 410 Q C 1.746 177.751 176.000 0.009 0.000 0.975 410 Q CA 1.445 57.288 55.803 0.067 0.000 0.866 410 Q CB -0.188 28.573 28.738 0.039 0.000 0.915 410 Q HN 0.554 nan 8.270 nan 0.000 0.440 411 Q N -0.981 118.811 119.800 -0.013 0.000 2.402 411 Q HA 0.260 4.599 4.340 -0.001 0.000 0.231 411 Q C -0.589 175.067 176.000 -0.573 0.000 0.888 411 Q CA 0.130 55.745 55.803 -0.313 0.000 0.938 411 Q CB 0.802 29.315 28.738 -0.374 0.000 1.086 411 Q HN 0.203 nan 8.270 nan 0.000 0.543 412 F N 0.087 120.160 119.950 0.204 0.000 2.588 412 F HA 0.375 4.901 4.527 -0.002 0.000 0.310 412 F C -0.320 175.719 175.800 0.398 0.000 1.082 412 F CA -1.285 56.878 58.000 0.272 0.000 0.929 412 F CB 1.760 40.920 39.000 0.267 0.000 1.254 412 F HN -0.253 nan 8.300 nan 0.000 0.455 413 D N 0.598 121.326 120.400 0.546 0.000 2.326 413 D HA 0.492 5.131 4.640 -0.001 0.000 0.251 413 D C -1.175 175.415 176.300 0.484 0.000 1.023 413 D CA 0.060 54.324 54.000 0.440 0.000 0.966 413 D CB 2.091 43.076 40.800 0.309 0.000 1.156 413 D HN 0.580 nan 8.370 nan 0.000 0.494 414 W N -1.006 120.350 121.300 0.093 0.000 3.118 414 W HA 0.581 5.240 4.660 -0.001 0.000 0.328 414 W C -1.594 174.953 176.519 0.047 0.000 1.239 414 W CA -0.833 56.433 57.345 -0.131 0.000 1.176 414 W CB 0.528 29.950 29.460 -0.063 0.000 1.433 414 W HN 0.049 nan 8.180 nan 0.000 0.562 415 T N 2.829 117.485 114.554 0.170 0.000 2.848 415 T HA 0.499 4.849 4.350 -0.001 0.000 0.285 415 T C -0.424 174.375 174.700 0.165 0.000 0.995 415 T CA -0.754 61.438 62.100 0.155 0.000 0.970 415 T CB 1.197 70.196 68.868 0.219 0.000 0.976 415 T HN 0.457 nan 8.240 nan 0.000 0.441 416 L N 3.176 124.483 121.223 0.141 0.000 2.367 416 L HA 0.343 4.683 4.340 -0.001 0.000 0.275 416 L C 0.337 177.252 176.870 0.076 0.000 1.129 416 L CA -0.768 54.149 54.840 0.128 0.000 0.839 416 L CB 0.283 42.409 42.059 0.111 0.000 1.133 416 L HN 0.440 nan 8.230 nan 0.000 0.453 417 L N 4.936 126.196 121.223 0.061 0.000 2.462 417 L HA 0.173 4.513 4.340 -0.001 0.000 0.272 417 L C -1.953 174.936 176.870 0.032 0.000 1.166 417 L CA -1.731 53.133 54.840 0.040 0.000 0.880 417 L CB 0.077 42.153 42.059 0.027 0.000 1.142 417 L HN 0.333 nan 8.230 nan 0.000 0.473 418 P HA 0.127 nan 4.420 nan 0.000 0.271 418 P C 0.817 178.126 177.300 0.015 0.000 1.218 418 P CA 0.290 63.401 63.100 0.017 0.000 0.780 418 P CB 1.011 32.719 31.700 0.013 0.000 0.901 419 G N 0.808 109.615 108.800 0.012 0.000 2.234 419 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.260 419 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.260 419 G C 0.297 175.203 174.900 0.010 0.000 0.987 419 G CA 0.424 45.530 45.100 0.009 0.000 0.625 419 G HN 0.808 nan 8.290 nan 0.000 0.532 420 Q N 0.283 120.091 119.800 0.014 0.000 2.524 420 Q HA 0.327 4.666 4.340 -0.001 0.000 0.246 420 Q C -0.024 175.982 176.000 0.011 0.000 1.063 420 Q CA -0.002 55.809 55.803 0.014 0.000 0.945 420 Q CB 0.415 29.165 28.738 0.021 0.000 1.292 420 Q HN 0.188 nan 8.270 nan 0.000 0.518 421 N N 1.361 120.064 118.700 0.006 0.000 2.406 421 N HA 0.125 4.864 4.740 -0.001 0.000 0.251 421 N C -0.237 175.273 175.510 -0.000 0.000 1.069 421 N CA -0.030 53.020 53.050 0.001 0.000 0.947 421 N CB 0.567 39.051 38.487 -0.005 0.000 1.111 421 N HN 0.699 nan 8.380 nan 0.000 0.497 422 L N 1.522 122.747 121.223 0.004 0.000 2.592 422 L HA 0.190 4.529 4.340 -0.001 0.000 0.227 422 L C 1.020 177.887 176.870 -0.004 0.000 1.127 422 L CA 0.006 54.850 54.840 0.006 0.000 0.884 422 L CB -0.058 42.010 42.059 0.015 0.000 1.065 422 L HN 0.540 nan 8.230 nan 0.000 0.457 423 E N 1.580 121.775 120.200 -0.009 0.000 2.413 423 E HA 0.059 4.409 4.350 -0.001 0.000 0.263 423 E C -0.553 176.030 176.600 -0.028 0.000 1.015 423 E CA -0.168 56.224 56.400 -0.013 0.000 0.916 423 E CB 0.659 30.353 29.700 -0.011 0.000 0.947 423 E HN 0.204 nan 8.360 nan 0.000 0.440 424 L N 4.871 126.078 121.223 -0.027 0.000 2.265 424 L HA 0.254 4.593 4.340 -0.001 0.000 0.288 424 L C -0.579 176.258 176.870 -0.055 0.000 1.058 424 L CA -0.853 53.961 54.840 -0.043 0.000 0.809 424 L CB 1.286 43.329 42.059 -0.026 0.000 1.179 424 L HN 0.358 nan 8.230 nan 0.000 0.429 425 V N 4.449 124.314 119.914 -0.082 0.000 2.439 425 V HA 0.246 4.365 4.120 -0.001 0.000 0.282 425 V C 0.221 176.260 176.094 -0.092 0.000 1.039 425 V CA -0.642 61.608 62.300 -0.083 0.000 0.913 425 V CB 1.860 33.628 31.823 -0.091 0.000 0.983 425 V HN 0.432 nan 8.190 nan 0.000 0.460 426 V N 4.312 124.172 119.914 -0.090 0.000 2.220 426 V HA 0.321 4.440 4.120 -0.001 0.000 0.265 426 V C 0.487 176.513 176.094 -0.114 0.000 1.078 426 V CA -0.175 62.063 62.300 -0.105 0.000 0.872 426 V CB 0.544 32.293 31.823 -0.124 0.000 1.121 426 V HN 1.054 nan 8.190 nan 0.000 0.460 427 T N 0.470 114.980 114.554 -0.074 0.000 3.410 427 T HA 0.362 4.711 4.350 -0.001 0.000 0.328 427 T C -1.630 173.078 174.700 0.013 0.000 1.567 427 T CA -1.025 61.053 62.100 -0.036 0.000 1.626 427 T CB 1.246 70.101 68.868 -0.022 0.000 0.939 427 T HN 0.458 nan 8.240 nan 0.000 0.656 428 P HA 0.325 nan 4.420 nan 0.000 0.266 428 P C -0.394 176.850 177.300 -0.094 0.000 1.381 428 P CA -0.303 62.748 63.100 -0.082 0.000 0.940 428 P CB 0.340 32.024 31.700 -0.027 0.000 1.435 429 S N 1.040 116.725 115.700 -0.024 0.000 2.542 429 S HA 0.550 5.019 4.470 -0.001 0.000 0.293 429 S C -2.915 171.680 174.600 -0.008 0.000 1.089 429 S CA -1.727 56.468 58.200 -0.008 0.000 0.961 429 S CB 1.434 64.663 63.200 0.048 0.000 1.062 429 S HN -0.111 nan 8.310 nan 0.000 0.483 430 P HA 0.163 nan 4.420 nan 0.000 0.262 430 P C -0.557 176.737 177.300 -0.010 0.000 1.199 430 P CA 0.160 63.249 63.100 -0.018 0.000 0.763 430 P CB 0.229 31.927 31.700 -0.003 0.000 0.790 431 R N 5.160 125.584 120.500 -0.126 0.000 2.533 431 R HA 0.403 4.743 4.340 -0.001 0.000 0.288 431 R C -2.945 173.201 176.300 -0.257 0.000 1.039 431 R CA -2.350 53.538 56.100 -0.354 0.000 0.909 431 R CB 1.866 31.720 30.300 -0.743 0.000 1.195 431 R HN 0.203 nan 8.270 nan 0.000 0.438 432 P HA 0.037 nan 4.420 nan 0.000 0.271 432 P C -0.276 176.946 177.300 -0.130 0.000 1.216 432 P CA -0.062 62.977 63.100 -0.101 0.000 0.771 432 P CB 1.190 32.874 31.700 -0.025 0.000 0.864 433 K N 1.985 122.334 120.400 -0.086 0.000 2.074 433 K HA -0.174 4.145 4.320 -0.001 0.000 0.209 433 K C 0.629 177.193 176.600 -0.059 0.000 1.048 433 K CA 1.651 57.892 56.287 -0.076 0.000 0.926 433 K CB -0.092 32.380 32.500 -0.046 0.000 0.713 433 K HN 0.397 nan 8.250 nan 0.000 0.444 434 D N 0.337 120.717 120.400 -0.032 0.000 2.336 434 D HA 0.027 4.666 4.640 -0.001 0.000 0.228 434 D C -0.369 175.934 176.300 0.005 0.000 1.120 434 D CA 0.175 54.170 54.000 -0.009 0.000 0.839 434 D CB 0.182 40.985 40.800 0.004 0.000 0.932 434 D HN 0.190 nan 8.370 nan 0.000 0.509 435 N N 0.216 118.907 118.700 -0.015 0.000 2.776 435 N HA -0.221 4.519 4.740 -0.001 0.000 0.250 435 N C -0.205 175.377 175.510 0.120 0.000 1.112 435 N CA 0.253 53.325 53.050 0.038 0.000 0.733 435 N CB -1.192 37.336 38.487 0.069 0.000 1.097 435 N HN 0.251 nan 8.380 nan 0.000 0.558 436 L N -0.803 120.479 121.223 0.098 0.000 3.546 436 L HA -0.249 4.090 4.340 -0.001 0.000 0.668 436 L C -0.091 176.857 176.870 0.130 0.000 1.139 436 L CA 1.044 55.969 54.840 0.143 0.000 1.122 436 L CB -0.578 41.608 42.059 0.212 0.000 1.545 436 L HN 0.193 nan 8.230 nan 0.000 0.851 437 R N 2.316 122.860 120.500 0.072 0.000 2.316 437 R HA 0.666 5.006 4.340 -0.001 0.000 0.314 437 R C 0.118 176.428 176.300 0.016 0.000 1.069 437 R CA 0.232 56.345 56.100 0.022 0.000 0.959 437 R CB 1.047 31.356 30.300 0.015 0.000 0.987 437 R HN 0.454 nan 8.270 nan 0.000 0.446 438 V N -0.209 119.661 119.914 -0.074 0.000 3.160 438 V HA 0.694 4.814 4.120 -0.001 0.000 0.310 438 V C -1.148 174.837 176.094 -0.181 0.000 1.181 438 V CA -1.165 61.079 62.300 -0.094 0.000 1.047 438 V CB 2.363 34.101 31.823 -0.142 0.000 1.068 438 V HN 0.632 nan 8.190 nan 0.000 0.441 439 K N 1.974 122.292 120.400 -0.137 0.000 2.463 439 K HA 0.688 5.007 4.320 -0.001 0.000 0.255 439 K C -1.452 174.927 176.600 -0.369 0.000 0.942 439 K CA -0.524 55.663 56.287 -0.166 0.000 0.814 439 K CB 1.548 34.061 32.500 0.023 0.000 1.122 439 K HN 0.894 nan 8.250 nan 0.000 0.425 440 L N 4.848 125.834 121.223 -0.394 0.000 2.334 440 L HA 0.434 4.773 4.340 -0.001 0.000 0.277 440 L C -0.509 176.221 176.870 -0.233 0.000 1.075 440 L CA -0.882 53.724 54.840 -0.391 0.000 0.804 440 L CB 1.051 42.822 42.059 -0.480 0.000 1.174 440 L HN 0.812 nan 8.230 nan 0.000 0.438 441 H N 0.373 119.643 119.070 0.333 0.000 2.727 441 H HA 0.247 4.802 4.556 -0.002 0.000 0.330 441 H C -0.275 175.282 175.328 0.381 0.000 0.986 441 H CA -0.521 55.701 56.048 0.290 0.000 1.251 441 H CB 1.733 31.602 29.762 0.179 0.000 1.493 441 H HN 0.504 nan 8.280 nan 0.000 0.515 442 S N 2.091 118.016 115.700 0.376 0.000 2.579 442 S HA 0.525 4.994 4.470 -0.001 0.000 0.275 442 S C 0.653 175.250 174.600 -0.005 0.000 1.345 442 S CA 0.254 58.482 58.200 0.047 0.000 1.031 442 S CB -0.136 63.077 63.200 0.022 0.000 0.892 442 S HN 1.020 nan 8.310 nan 0.000 0.529 443 L N 0.000 121.133 121.223 -0.149 0.000 2.949 443 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 443 L CA 0.000 54.800 54.840 -0.067 0.000 0.813 443 L CB 0.000 42.047 42.059 -0.021 0.000 0.961 443 L HN 0.000 nan 8.230 nan 0.000 0.502