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 3cxh_1_B DATA FIRST_RESID 17 DATA SEQUENCE LTVSARDAPT KISTLAVKVH GGSRYATKDG VAHLLNRFNF QNTNTRSALK DATA SEQUENCE LVRESELLGG TFKSTLDREY ITLKATFLKD DLPYYVNALA DVLYKTAFKP DATA SEQUENCE HELTESVLPA ARYDYAVAEQ CPVKSAEDQL YAITFRKGLG NPLLYDGVER DATA SEQUENCE VSLQDIKDFA DKVYTKENLE VSGENVVEAD LKRFVDESLL STLPAGKSLV DATA SEQUENCE SKSEPKFFLG EENRVRFIGD SVAAIGIPVN KASLAQYEVL ANYLTSALSE DATA SEQUENCE LSGLISSAKL DKFTDGGLFT LFVRDQDSAV VSSNIKKIVA DLKKGKDLSP DATA SEQUENCE AINYTKLKNA VQNESVSSPI ELNFDAVKDF KLGKFNYVAV GDVSNLPYLD DATA SEQUENCE EL 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 17 L HA 0.000 nan 4.340 nan 0.000 0.249 17 L C 0.000 176.892 176.870 0.036 0.000 1.165 17 L CA 0.000 54.860 54.840 0.034 0.000 0.813 17 L CB 0.000 42.074 42.059 0.025 0.000 0.961 18 T N 2.233 116.815 114.554 0.047 0.000 2.907 18 T HA 0.594 4.944 4.350 0.000 0.000 0.298 18 T C 0.086 174.811 174.700 0.043 0.000 1.017 18 T CA -0.192 61.936 62.100 0.047 0.000 1.118 18 T CB 1.898 70.804 68.868 0.062 0.000 0.948 18 T HN 0.293 nan 8.240 nan 0.000 0.531 19 V N 2.992 122.928 119.914 0.036 0.000 2.559 19 V HA 0.405 4.525 4.120 0.000 0.000 0.289 19 V C -0.366 175.747 176.094 0.032 0.000 1.036 19 V CA -0.776 61.545 62.300 0.036 0.000 0.887 19 V CB 1.751 33.594 31.823 0.034 0.000 1.022 19 V HN 0.960 nan 8.190 nan 0.000 0.442 20 S N 2.505 118.225 115.700 0.033 0.000 2.638 20 S HA 0.999 5.469 4.470 0.000 0.000 0.302 20 S C -0.279 174.339 174.600 0.030 0.000 1.096 20 S CA -0.331 57.886 58.200 0.028 0.000 0.953 20 S CB 2.235 65.450 63.200 0.025 0.000 1.107 20 S HN 1.339 nan 8.310 nan 0.000 0.503 21 A N 1.533 124.368 122.820 0.024 0.000 2.573 21 A HA 0.658 4.978 4.320 0.000 0.000 0.299 21 A C -1.113 176.480 177.584 0.016 0.000 1.060 21 A CA -0.743 51.309 52.037 0.025 0.000 0.736 21 A CB 1.099 20.122 19.000 0.038 0.000 1.280 21 A HN 0.739 nan 8.150 nan 0.000 0.401 22 R N 2.065 122.570 120.500 0.009 0.000 2.288 22 R HA 0.489 4.830 4.340 0.000 0.000 0.326 22 R C -1.087 175.212 176.300 -0.002 0.000 0.959 22 R CA -0.377 55.725 56.100 0.003 0.000 0.834 22 R CB 0.893 31.192 30.300 -0.002 0.000 1.157 22 R HN 0.790 nan 8.270 nan 0.000 0.470 23 D N 2.429 122.829 120.400 0.001 0.000 2.383 23 D HA 0.659 5.299 4.640 0.000 0.000 0.248 23 D C -1.147 175.148 176.300 -0.009 0.000 1.170 23 D CA 0.185 54.184 54.000 -0.001 0.000 0.977 23 D CB 1.680 42.483 40.800 0.005 0.000 1.120 23 D HN 0.696 nan 8.370 nan 0.000 0.481 24 A N 1.025 123.837 122.820 -0.013 0.000 2.590 24 A HA 0.433 4.754 4.320 0.000 0.000 0.294 24 A C -2.639 174.935 177.584 -0.017 0.000 1.046 24 A CA -0.938 51.089 52.037 -0.017 0.000 0.684 24 A CB 1.466 20.451 19.000 -0.026 0.000 1.279 24 A HN 0.490 nan 8.150 nan 0.000 0.415 25 P HA 0.134 nan 4.420 nan 0.000 0.235 25 P C 0.461 177.748 177.300 -0.022 0.000 1.725 25 P CA 0.447 63.538 63.100 -0.014 0.000 0.894 25 P CB -0.709 30.985 31.700 -0.010 0.000 1.704 26 T N -2.540 111.994 114.554 -0.033 0.000 2.810 26 T HA 0.293 4.643 4.350 0.000 0.000 0.277 26 T C 1.191 175.861 174.700 -0.050 0.000 0.973 26 T CA -0.507 61.565 62.100 -0.046 0.000 0.949 26 T CB 1.443 70.272 68.868 -0.065 0.000 1.075 26 T HN -0.182 nan 8.240 nan 0.000 0.537 27 K N -0.585 119.779 120.400 -0.061 0.000 2.284 27 K HA 0.298 4.618 4.320 0.000 0.000 0.198 27 K C 0.350 176.891 176.600 -0.099 0.000 1.048 27 K CA 0.277 56.528 56.287 -0.060 0.000 0.987 27 K CB 0.155 32.624 32.500 -0.051 0.000 0.800 27 K HN 0.509 nan 8.250 nan 0.000 0.486 28 I N 0.675 121.160 120.570 -0.141 0.000 2.562 28 I HA 0.244 4.414 4.170 0.000 0.000 0.301 28 I C 0.175 176.103 176.117 -0.315 0.000 1.003 28 I CA -0.469 60.687 61.300 -0.240 0.000 1.127 28 I CB 1.898 39.767 38.000 -0.217 0.000 1.304 28 I HN -0.181 nan 8.210 nan 0.000 0.446 29 S N 2.070 117.425 115.700 -0.576 0.000 2.704 29 S HA 0.696 5.166 4.470 0.000 0.000 0.296 29 S C -0.424 173.683 174.600 -0.823 0.000 1.138 29 S CA -0.611 57.214 58.200 -0.626 0.000 0.875 29 S CB 2.490 65.309 63.200 -0.635 0.000 1.151 29 S HN 0.673 nan 8.310 nan 0.000 0.500 30 T N 1.940 116.200 114.554 -0.490 0.000 3.348 30 T HA 0.340 4.690 4.350 0.000 0.000 0.328 30 T C -1.335 173.351 174.700 -0.022 0.000 0.913 30 T CA -0.505 61.422 62.100 -0.288 0.000 1.043 30 T CB 0.193 68.945 68.868 -0.193 0.000 1.021 30 T HN 0.386 nan 8.240 nan 0.000 0.461 31 L N 4.218 125.563 121.223 0.203 0.000 2.395 31 L HA 0.871 5.211 4.340 0.000 0.000 0.269 31 L C 0.129 177.097 176.870 0.163 0.000 1.133 31 L CA 0.124 55.113 54.840 0.247 0.000 0.812 31 L CB 0.877 43.162 42.059 0.377 0.000 1.125 31 L HN 0.929 nan 8.230 nan 0.000 0.452 32 A N 4.215 127.105 122.820 0.116 0.000 2.486 32 A HA 0.678 4.998 4.320 0.000 0.000 0.300 32 A C -1.397 176.220 177.584 0.055 0.000 1.048 32 A CA -0.463 51.621 52.037 0.079 0.000 0.696 32 A CB 1.792 20.805 19.000 0.022 0.000 1.278 32 A HN 0.354 nan 8.150 nan 0.000 0.405 33 V N 3.933 123.876 119.914 0.048 0.000 2.327 33 V HA 0.243 4.363 4.120 0.000 0.000 0.272 33 V C -0.399 175.685 176.094 -0.015 0.000 1.019 33 V CA -0.758 61.553 62.300 0.018 0.000 0.814 33 V CB 1.181 33.014 31.823 0.017 0.000 1.040 33 V HN 0.774 nan 8.190 nan 0.000 0.440 34 K N 3.428 123.778 120.400 -0.084 0.000 2.349 34 K HA 0.401 4.722 4.320 0.000 0.000 0.289 34 K C -0.507 176.102 176.600 0.016 0.000 1.064 34 K CA -0.071 56.094 56.287 -0.203 0.000 0.947 34 K CB 1.708 33.867 32.500 -0.569 0.000 1.007 34 K HN 0.394 nan 8.250 nan 0.000 0.478 35 V N 4.175 124.181 119.914 0.153 0.000 2.417 35 V HA 0.099 4.219 4.120 0.000 0.000 0.291 35 V C 0.431 176.683 176.094 0.263 0.000 1.024 35 V CA -0.861 61.572 62.300 0.221 0.000 0.861 35 V CB 1.256 33.230 31.823 0.252 0.000 0.985 35 V HN 0.654 nan 8.190 nan 0.000 0.436 36 H N 4.391 123.567 119.070 0.177 0.000 3.198 36 H HA 0.245 4.802 4.556 0.000 0.000 0.255 36 H C 0.877 176.074 175.328 -0.219 0.000 1.729 36 H CA 0.585 56.603 56.048 -0.050 0.000 1.495 36 H CB 0.418 30.036 29.762 -0.240 0.000 1.807 36 H HN 0.864 nan 8.280 nan 0.000 0.554 37 G N 1.742 110.649 108.800 0.178 0.000 5.021 37 G HA2 0.163 4.123 3.960 0.000 0.000 0.254 37 G HA3 0.163 4.123 3.960 0.000 0.000 0.254 37 G C 0.809 176.023 174.900 0.523 0.000 0.932 37 G CA -0.038 45.230 45.100 0.280 0.000 0.743 37 G HN 0.587 nan 8.290 nan 0.000 0.441 38 G N 0.577 109.676 108.800 0.499 0.000 2.570 38 G HA2 0.353 4.313 3.960 0.000 0.000 0.276 38 G HA3 0.353 4.313 3.960 0.000 0.000 0.276 38 G C 1.542 176.582 174.900 0.233 0.000 1.346 38 G CA 0.681 45.970 45.100 0.315 0.000 1.034 38 G HN 0.691 nan 8.290 nan 0.000 0.512 39 S N -0.859 114.889 115.700 0.080 0.000 2.420 39 S HA -0.224 4.246 4.470 0.000 0.000 0.237 39 S C 2.053 176.597 174.600 -0.092 0.000 1.023 39 S CA 1.426 59.619 58.200 -0.012 0.000 0.991 39 S CB -0.320 62.846 63.200 -0.056 0.000 0.792 39 S HN 0.615 nan 8.310 nan 0.000 0.488 40 R N 0.369 120.737 120.500 -0.220 0.000 2.152 40 R HA -0.065 4.275 4.340 0.000 0.000 0.232 40 R C 0.964 176.981 176.300 -0.472 0.000 1.117 40 R CA 1.279 57.111 56.100 -0.447 0.000 0.981 40 R CB -0.236 29.616 30.300 -0.747 0.000 0.870 40 R HN 0.665 nan 8.270 nan 0.000 0.451 41 Y N -0.516 119.834 120.300 0.084 0.000 2.449 41 Y HA 0.341 4.892 4.550 0.000 0.000 0.254 41 Y C 0.836 176.872 175.900 0.226 0.000 1.140 41 Y CA -0.173 58.028 58.100 0.169 0.000 1.272 41 Y CB 0.376 38.973 38.460 0.228 0.000 1.114 41 Y HN -0.003 nan 8.280 nan 0.000 0.525 42 A N 1.198 124.083 122.820 0.109 0.000 2.537 42 A HA 0.055 4.376 4.320 0.000 0.000 0.260 42 A C 1.677 179.182 177.584 -0.131 0.000 1.082 42 A CA 0.727 52.610 52.037 -0.257 0.000 0.765 42 A CB -0.191 18.637 19.000 -0.285 0.000 1.019 42 A HN 0.510 nan 8.150 nan 0.000 0.507 43 T N 0.609 115.086 114.554 -0.127 0.000 2.962 43 T HA 0.015 4.365 4.350 0.000 0.000 0.270 43 T C 0.678 175.342 174.700 -0.061 0.000 1.088 43 T CA 1.462 63.548 62.100 -0.022 0.000 1.127 43 T CB -0.191 68.706 68.868 0.049 0.000 0.883 43 T HN 0.604 nan 8.240 nan 0.000 0.493 44 K N 0.838 121.162 120.400 -0.127 0.000 2.464 44 K HA 0.359 4.679 4.320 0.000 0.000 0.253 44 K C -1.659 174.895 176.600 -0.077 0.000 0.933 44 K CA -0.924 55.316 56.287 -0.078 0.000 0.801 44 K CB 1.726 34.190 32.500 -0.061 0.000 1.271 44 K HN -0.033 nan 8.250 nan 0.000 0.430 45 D N 1.255 121.641 120.400 -0.023 0.000 2.581 45 D HA 0.049 4.689 4.640 0.000 0.000 0.238 45 D C 1.215 177.572 176.300 0.095 0.000 1.145 45 D CA 1.973 55.976 54.000 0.005 0.000 0.866 45 D CB 0.513 41.308 40.800 -0.008 0.000 1.151 45 D HN 0.799 nan 8.370 nan 0.000 0.500 46 G N 1.545 110.402 108.800 0.093 0.000 2.179 46 G HA2 -0.348 3.612 3.960 0.000 0.000 0.260 46 G HA3 -0.348 3.612 3.960 0.000 0.000 0.260 46 G C 1.210 176.162 174.900 0.086 0.000 0.977 46 G CA 0.262 45.502 45.100 0.233 0.000 0.641 46 G HN 0.532 nan 8.290 nan 0.000 0.533 47 V N 0.667 120.519 119.914 -0.104 0.000 2.594 47 V HA 0.134 4.254 4.120 0.000 0.000 0.253 47 V C 2.945 178.863 176.094 -0.294 0.000 1.069 47 V CA 2.900 65.039 62.300 -0.268 0.000 1.082 47 V CB -0.435 31.128 31.823 -0.434 0.000 0.680 47 V HN 1.075 nan 8.190 nan 0.000 0.469 48 A N -1.158 121.496 122.820 -0.276 0.000 1.929 48 A HA -0.222 4.098 4.320 0.000 0.000 0.216 48 A C 2.120 179.828 177.584 0.207 0.000 1.176 48 A CA 1.688 53.732 52.037 0.012 0.000 0.628 48 A CB -0.833 18.216 19.000 0.081 0.000 0.816 48 A HN 0.743 nan 8.150 nan 0.000 0.444 49 H N 0.630 119.735 119.070 0.057 0.000 2.293 49 H HA -0.038 4.518 4.556 0.000 0.000 0.300 49 H C 1.767 177.153 175.328 0.096 0.000 1.082 49 H CA 2.011 58.118 56.048 0.097 0.000 1.308 49 H CB -0.550 29.280 29.762 0.114 0.000 1.375 49 H HN 0.357 nan 8.280 nan 0.000 0.495 50 L N -0.389 120.840 121.223 0.010 0.000 2.079 50 L HA -0.175 4.166 4.340 0.000 0.000 0.210 50 L C 2.661 179.632 176.870 0.168 0.000 1.081 50 L CA 1.127 55.922 54.840 -0.076 0.000 0.752 50 L CB -0.531 41.412 42.059 -0.195 0.000 0.896 50 L HN 0.258 nan 8.230 nan 0.000 0.433 51 L N 0.252 121.619 121.223 0.239 0.000 2.056 51 L HA -0.208 4.132 4.340 0.000 0.000 0.207 51 L C 2.279 179.360 176.870 0.353 0.000 1.078 51 L CA 1.736 56.789 54.840 0.354 0.000 0.749 51 L CB -0.912 41.345 42.059 0.331 0.000 0.901 51 L HN 0.297 nan 8.230 nan 0.000 0.433 52 N N -0.501 118.386 118.700 0.313 0.000 2.166 52 N HA -0.260 4.480 4.740 0.000 0.000 0.186 52 N C 1.936 177.604 175.510 0.264 0.000 1.019 52 N CA 1.005 54.233 53.050 0.296 0.000 0.856 52 N CB 0.029 38.699 38.487 0.305 0.000 0.993 52 N HN 0.203 nan 8.380 nan 0.000 0.426 53 R N -0.276 120.362 120.500 0.229 0.000 2.193 53 R HA 0.116 4.456 4.340 0.000 0.000 0.213 53 R C 1.630 177.981 176.300 0.085 0.000 1.055 53 R CA 0.610 56.792 56.100 0.136 0.000 0.995 53 R CB -0.557 29.744 30.300 0.001 0.000 0.893 53 R HN 0.277 nan 8.270 nan 0.000 0.459 54 F N 0.155 120.157 119.950 0.086 0.000 2.512 54 F HA 0.122 4.649 4.527 0.000 0.000 0.296 54 F C 0.303 176.075 175.800 -0.047 0.000 1.110 54 F CA 0.016 58.039 58.000 0.037 0.000 1.446 54 F CB 0.142 39.223 39.000 0.135 0.000 1.092 54 F HN -0.003 nan 8.300 nan 0.000 0.554 55 N N 0.502 119.307 118.700 0.176 0.000 2.407 55 N HA -0.029 4.711 4.740 0.000 0.000 0.250 55 N C -0.380 175.068 175.510 -0.103 0.000 1.236 55 N CA 0.588 53.564 53.050 -0.123 0.000 0.879 55 N CB 0.050 38.391 38.487 -0.245 0.000 1.088 55 N HN 0.168 nan 8.380 nan 0.000 0.450 56 F N -2.139 117.794 119.950 -0.028 0.000 2.699 56 F HA -0.284 4.243 4.527 0.000 0.000 0.343 56 F C 1.013 176.768 175.800 -0.075 0.000 0.633 56 F CA 0.244 58.183 58.000 -0.101 0.000 1.365 56 F CB -1.022 37.932 39.000 -0.076 0.000 1.795 56 F HN 0.519 nan 8.300 nan 0.000 0.304 57 Q N 0.721 120.558 119.800 0.062 0.000 2.335 57 Q HA 0.238 4.578 4.340 0.000 0.000 0.180 57 Q C 0.475 176.468 176.000 -0.012 0.000 1.101 57 Q CA -0.269 55.563 55.803 0.049 0.000 1.165 57 Q CB 0.153 28.958 28.738 0.112 0.000 1.220 57 Q HN 0.103 nan 8.270 nan 0.000 0.626 58 N N 1.197 119.890 118.700 -0.011 0.000 2.407 58 N HA 0.015 4.755 4.740 0.000 0.000 0.250 58 N C -0.169 175.272 175.510 -0.114 0.000 1.236 58 N CA 0.333 53.357 53.050 -0.043 0.000 0.879 58 N CB 0.390 38.868 38.487 -0.016 0.000 1.088 58 N HN 0.491 nan 8.380 nan 0.000 0.450 59 T N -1.421 113.071 114.554 -0.104 0.000 2.949 59 T HA 0.347 4.697 4.350 0.000 0.000 0.287 59 T C 1.015 175.668 174.700 -0.078 0.000 1.034 59 T CA -0.840 61.186 62.100 -0.124 0.000 1.018 59 T CB 1.002 69.801 68.868 -0.115 0.000 1.135 59 T HN 0.207 nan 8.240 nan 0.000 0.532 60 N N 0.608 119.270 118.700 -0.064 0.000 2.364 60 N HA -0.054 4.686 4.740 0.000 0.000 0.183 60 N C 1.729 177.226 175.510 -0.022 0.000 1.022 60 N CA 1.768 54.797 53.050 -0.035 0.000 0.883 60 N CB -0.318 38.155 38.487 -0.023 0.000 0.965 60 N HN 0.924 nan 8.380 nan 0.000 0.438 61 T N -3.760 110.776 114.554 -0.029 0.000 2.975 61 T HA 0.272 4.622 4.350 0.000 0.000 0.257 61 T C 0.575 175.256 174.700 -0.032 0.000 1.003 61 T CA -0.422 61.663 62.100 -0.025 0.000 0.932 61 T CB 0.781 69.634 68.868 -0.025 0.000 1.087 61 T HN 0.003 nan 8.240 nan 0.000 0.512 62 R N 1.843 122.318 120.500 -0.043 0.000 2.564 62 R HA 0.569 4.909 4.340 0.000 0.000 0.284 62 R C -0.717 175.562 176.300 -0.034 0.000 1.031 62 R CA -0.266 55.809 56.100 -0.041 0.000 0.904 62 R CB 1.814 32.073 30.300 -0.069 0.000 1.199 62 R HN 0.244 nan 8.270 nan 0.000 0.443 63 S N 2.947 118.639 115.700 -0.012 0.000 2.632 63 S HA 0.404 4.874 4.470 0.000 0.000 0.271 63 S C 1.293 175.895 174.600 0.003 0.000 1.260 63 S CA -0.204 57.997 58.200 0.001 0.000 1.010 63 S CB 1.737 64.948 63.200 0.018 0.000 0.965 63 S HN 0.794 nan 8.310 nan 0.000 0.534 64 A N 1.540 124.368 122.820 0.013 0.000 1.917 64 A HA -0.091 4.229 4.320 0.000 0.000 0.219 64 A C 2.013 179.617 177.584 0.033 0.000 1.182 64 A CA 1.785 53.837 52.037 0.025 0.000 0.633 64 A CB -1.059 17.965 19.000 0.039 0.000 0.819 64 A HN 0.979 nan 8.150 nan 0.000 0.448 65 L N -0.292 120.951 121.223 0.034 0.000 2.027 65 L HA -0.112 4.228 4.340 0.000 0.000 0.206 65 L C 2.323 179.216 176.870 0.039 0.000 1.074 65 L CA 2.785 57.646 54.840 0.036 0.000 0.745 65 L CB -0.532 41.545 42.059 0.030 0.000 0.898 65 L HN 0.374 nan 8.230 nan 0.000 0.433 66 K N -0.507 119.912 120.400 0.033 0.000 2.063 66 K HA -0.217 4.103 4.320 0.000 0.000 0.208 66 K C 2.034 178.671 176.600 0.060 0.000 1.048 66 K CA 1.965 58.275 56.287 0.038 0.000 0.928 66 K CB -0.769 31.746 32.500 0.025 0.000 0.713 66 K HN 0.301 nan 8.250 nan 0.000 0.442 67 L N 0.271 121.523 121.223 0.049 0.000 1.989 67 L HA -0.149 4.191 4.340 0.000 0.000 0.211 67 L C 2.040 179.004 176.870 0.158 0.000 1.071 67 L CA 1.683 56.567 54.840 0.074 0.000 0.749 67 L CB -0.743 41.294 42.059 -0.038 0.000 0.890 67 L HN 0.110 nan 8.230 nan 0.000 0.431 68 V N 0.282 120.268 119.914 0.120 0.000 2.255 68 V HA -0.275 3.846 4.120 0.000 0.000 0.247 68 V C 2.827 178.988 176.094 0.112 0.000 1.051 68 V CA 1.987 64.370 62.300 0.139 0.000 1.018 68 V CB -0.829 31.049 31.823 0.092 0.000 0.641 68 V HN 0.461 nan 8.190 nan 0.000 0.445 69 R N -0.081 120.466 120.500 0.077 0.000 2.096 69 R HA -0.162 4.178 4.340 0.000 0.000 0.235 69 R C 2.176 178.504 176.300 0.047 0.000 1.127 69 R CA 1.572 57.704 56.100 0.052 0.000 0.968 69 R CB -0.590 29.732 30.300 0.037 0.000 0.861 69 R HN 0.663 nan 8.270 nan 0.000 0.440 70 E N 0.920 121.160 120.200 0.066 0.000 2.028 70 E HA -0.127 4.223 4.350 0.000 0.000 0.190 70 E C 1.886 178.477 176.600 -0.014 0.000 0.984 70 E CA 1.553 57.974 56.400 0.036 0.000 0.800 70 E CB 0.121 29.886 29.700 0.109 0.000 0.758 70 E HN 0.341 nan 8.360 nan 0.000 0.448 71 S N 0.305 116.066 115.700 0.101 0.000 2.419 71 S HA -0.170 4.300 4.470 0.000 0.000 0.233 71 S C 1.738 176.379 174.600 0.069 0.000 1.016 71 S CA 1.103 59.370 58.200 0.111 0.000 0.974 71 S CB -0.259 63.183 63.200 0.404 0.000 0.786 71 S HN 0.272 nan 8.310 nan 0.000 0.492 72 E N 0.711 120.947 120.200 0.060 0.000 2.072 72 E HA -0.013 4.337 4.350 0.000 0.000 0.191 72 E C 1.789 178.391 176.600 0.004 0.000 0.985 72 E CA 0.858 57.277 56.400 0.032 0.000 0.801 72 E CB -0.162 29.557 29.700 0.032 0.000 0.750 72 E HN 0.323 nan 8.360 nan 0.000 0.452 73 L N 0.683 121.899 121.223 -0.012 0.000 2.201 73 L HA -0.118 4.223 4.340 0.000 0.000 0.212 73 L C 2.114 178.956 176.870 -0.046 0.000 1.105 73 L CA 1.315 56.138 54.840 -0.029 0.000 0.775 73 L CB -0.750 41.287 42.059 -0.036 0.000 0.913 73 L HN 0.233 nan 8.230 nan 0.000 0.440 74 L N -0.819 120.363 121.223 -0.069 0.000 2.127 74 L HA 0.095 4.436 4.340 0.000 0.000 0.203 74 L C 1.076 177.947 176.870 0.001 0.000 1.080 74 L CA 0.947 55.744 54.840 -0.072 0.000 0.768 74 L CB -0.297 41.660 42.059 -0.170 0.000 0.924 74 L HN 0.471 nan 8.230 nan 0.000 0.444 75 G N 0.027 108.840 108.800 0.022 0.000 2.798 75 G HA2 0.080 4.041 3.960 0.000 0.000 0.167 75 G HA3 0.080 4.041 3.960 0.000 0.000 0.167 75 G C -0.131 174.776 174.900 0.012 0.000 1.082 75 G CA -0.388 44.719 45.100 0.012 0.000 0.905 75 G HN 0.572 nan 8.290 nan 0.000 0.514 76 G N -0.850 107.966 108.800 0.026 0.000 2.698 76 G HA2 1.075 5.035 3.960 0.000 0.000 0.293 76 G HA3 1.075 5.035 3.960 0.000 0.000 0.293 76 G C -0.474 174.353 174.900 -0.122 0.000 1.437 76 G CA 0.626 45.677 45.100 -0.082 0.000 0.852 76 G HN 1.631 nan 8.290 nan 0.000 0.499 77 T N -1.747 112.641 114.554 -0.277 0.000 2.896 77 T HA 0.807 5.157 4.350 0.000 0.000 0.297 77 T C -0.992 173.410 174.700 -0.496 0.000 1.108 77 T CA -0.748 61.194 62.100 -0.264 0.000 1.004 77 T CB 1.843 70.643 68.868 -0.114 0.000 1.159 77 T HN 0.317 nan 8.240 nan 0.000 0.499 78 F N 0.374 120.214 119.950 -0.183 0.000 2.613 78 F HA 0.932 5.459 4.527 0.000 0.000 0.342 78 F C 0.211 175.783 175.800 -0.380 0.000 1.066 78 F CA -0.895 56.840 58.000 -0.440 0.000 1.002 78 F CB 1.931 40.224 39.000 -1.178 0.000 1.319 78 F HN 0.717 nan 8.300 nan 0.000 0.495 79 K N 0.030 120.369 120.400 -0.102 0.000 2.653 79 K HA 0.427 4.747 4.320 0.000 0.000 0.274 79 K C -1.774 175.088 176.600 0.435 0.000 0.974 79 K CA -0.446 55.925 56.287 0.140 0.000 0.868 79 K CB 1.750 34.313 32.500 0.104 0.000 1.408 79 K HN 0.472 nan 8.250 nan 0.000 0.397 80 S N 2.063 118.027 115.700 0.441 0.000 2.774 80 S HA 0.546 5.016 4.470 0.000 0.000 0.297 80 S C -1.154 173.605 174.600 0.264 0.000 1.143 80 S CA -0.380 58.057 58.200 0.396 0.000 1.090 80 S CB 0.542 63.980 63.200 0.396 0.000 1.019 80 S HN 0.507 nan 8.310 nan 0.000 0.482 81 T N 4.858 119.538 114.554 0.209 0.000 2.882 81 T HA 0.503 4.853 4.350 0.000 0.000 0.287 81 T C -0.429 174.374 174.700 0.171 0.000 0.992 81 T CA -0.386 61.812 62.100 0.163 0.000 1.076 81 T CB 1.061 70.003 68.868 0.123 0.000 0.961 81 T HN 0.572 nan 8.240 nan 0.000 0.490 82 L N 2.855 124.166 121.223 0.145 0.000 2.317 82 L HA 0.645 4.985 4.340 0.000 0.000 0.281 82 L C -0.747 176.191 176.870 0.114 0.000 1.024 82 L CA -0.210 54.718 54.840 0.147 0.000 0.810 82 L CB 1.264 43.394 42.059 0.119 0.000 1.240 82 L HN 0.493 nan 8.230 nan 0.000 0.427 83 D N 1.719 122.208 120.400 0.149 0.000 2.654 83 D HA 0.360 5.000 4.640 0.000 0.000 0.255 83 D C 0.125 176.488 176.300 0.105 0.000 1.101 83 D CA -0.464 53.617 54.000 0.135 0.000 1.116 83 D CB 1.777 42.706 40.800 0.215 0.000 1.348 83 D HN 0.414 nan 8.370 nan 0.000 0.609 84 R N 0.151 120.711 120.500 0.100 0.000 2.240 84 R HA 0.042 4.382 4.340 0.000 0.000 0.203 84 R C 1.231 177.574 176.300 0.071 0.000 1.011 84 R CA 1.273 57.392 56.100 0.031 0.000 1.007 84 R CB 0.276 30.589 30.300 0.021 0.000 0.911 84 R HN 0.284 nan 8.270 nan 0.000 0.468 85 E N -1.908 118.396 120.200 0.173 0.000 2.354 85 E HA 0.100 4.450 4.350 0.000 0.000 0.203 85 E C -0.518 176.096 176.600 0.024 0.000 0.841 85 E CA 0.399 56.856 56.400 0.095 0.000 1.046 85 E CB 0.371 30.138 29.700 0.112 0.000 1.040 85 E HN 0.055 nan 8.360 nan 0.000 0.504 86 Y N -0.258 120.147 120.300 0.175 0.000 2.602 86 Y HA 0.522 5.072 4.550 0.000 0.000 0.330 86 Y C 0.225 176.210 175.900 0.142 0.000 1.114 86 Y CA -0.709 57.454 58.100 0.105 0.000 1.182 86 Y CB 1.416 39.885 38.460 0.016 0.000 1.305 86 Y HN -0.178 nan 8.280 nan 0.000 0.502 87 I N 1.396 122.182 120.570 0.360 0.000 2.503 87 I HA 0.234 4.404 4.170 0.000 0.000 0.282 87 I C -1.191 175.060 176.117 0.225 0.000 1.059 87 I CA -0.294 61.177 61.300 0.286 0.000 1.081 87 I CB 1.508 39.700 38.000 0.320 0.000 1.210 87 I HN 0.552 nan 8.210 nan 0.000 0.450 88 T N 7.023 121.682 114.554 0.174 0.000 2.770 88 T HA 0.517 4.867 4.350 0.000 0.000 0.283 88 T C -0.302 174.493 174.700 0.159 0.000 0.988 88 T CA -0.459 61.704 62.100 0.106 0.000 0.957 88 T CB 1.090 69.981 68.868 0.038 0.000 0.930 88 T HN 0.126 nan 8.240 nan 0.000 0.443 89 L N 3.964 125.279 121.223 0.152 0.000 2.265 89 L HA 0.535 4.875 4.340 0.000 0.000 0.288 89 L C 0.304 177.346 176.870 0.287 0.000 1.058 89 L CA 0.036 55.037 54.840 0.267 0.000 0.809 89 L CB 0.700 42.845 42.059 0.143 0.000 1.179 89 L HN 0.450 nan 8.230 nan 0.000 0.429 90 K N 2.576 123.179 120.400 0.339 0.000 2.375 90 K HA 0.932 5.252 4.320 0.000 0.000 0.249 90 K C -1.481 175.252 176.600 0.222 0.000 0.942 90 K CA -0.696 55.727 56.287 0.227 0.000 0.806 90 K CB 2.058 34.635 32.500 0.127 0.000 1.227 90 K HN 0.625 nan 8.250 nan 0.000 0.430 91 A N 1.963 124.885 122.820 0.170 0.000 2.393 91 A HA 0.590 4.910 4.320 0.000 0.000 0.306 91 A C -1.248 176.347 177.584 0.020 0.000 1.050 91 A CA -0.648 51.424 52.037 0.058 0.000 0.724 91 A CB 1.806 20.904 19.000 0.162 0.000 1.248 91 A HN 0.610 nan 8.150 nan 0.000 0.424 92 T N 2.494 116.956 114.554 -0.153 0.000 2.812 92 T HA 0.755 5.105 4.350 0.000 0.000 0.282 92 T C -0.754 173.735 174.700 -0.352 0.000 0.990 92 T CA -0.106 61.809 62.100 -0.308 0.000 0.960 92 T CB 0.303 69.033 68.868 -0.230 0.000 0.948 92 T HN 0.951 nan 8.240 nan 0.000 0.438 93 F N -0.119 119.551 119.950 -0.466 0.000 2.877 93 F HA 0.621 5.148 4.527 0.000 0.000 0.319 93 F C -1.830 173.799 175.800 -0.284 0.000 1.174 93 F CA -1.872 55.818 58.000 -0.517 0.000 0.903 93 F CB 0.769 39.092 39.000 -1.129 0.000 1.357 93 F HN 0.269 nan 8.300 nan 0.000 0.472 94 L N 2.707 123.945 121.223 0.025 0.000 2.433 94 L HA 0.234 4.574 4.340 0.000 0.000 0.275 94 L C 1.669 178.634 176.870 0.158 0.000 1.128 94 L CA -0.226 54.627 54.840 0.022 0.000 0.875 94 L CB 0.930 43.017 42.059 0.046 0.000 1.171 94 L HN 0.872 nan 8.230 nan 0.000 0.463 95 K N 2.178 122.588 120.400 0.017 0.000 2.108 95 K HA -0.294 4.026 4.320 0.000 0.000 0.219 95 K C 0.983 177.721 176.600 0.230 0.000 1.054 95 K CA 2.568 58.910 56.287 0.093 0.000 0.945 95 K CB 0.078 32.586 32.500 0.014 0.000 0.728 95 K HN 0.675 nan 8.250 nan 0.000 0.462 96 D N 0.461 120.957 120.400 0.159 0.000 2.384 96 D HA -0.085 4.555 4.640 0.000 0.000 0.222 96 D C 0.385 176.775 176.300 0.151 0.000 0.976 96 D CA 0.844 54.931 54.000 0.145 0.000 0.915 96 D CB -0.002 40.853 40.800 0.091 0.000 0.896 96 D HN 0.308 nan 8.370 nan 0.000 0.523 97 D N -0.169 120.355 120.400 0.206 0.000 2.368 97 D HA 0.007 4.647 4.640 0.000 0.000 0.218 97 D C 1.984 178.337 176.300 0.088 0.000 1.112 97 D CA -0.239 53.849 54.000 0.147 0.000 0.834 97 D CB 0.441 41.364 40.800 0.205 0.000 0.953 97 D HN 0.112 nan 8.370 nan 0.000 0.505 98 L N 2.692 123.986 121.223 0.118 0.000 2.030 98 L HA -0.195 4.145 4.340 0.000 0.000 0.222 98 L C -0.737 176.029 176.870 -0.173 0.000 1.082 98 L CA 2.479 57.340 54.840 0.035 0.000 0.785 98 L CB -1.436 40.794 42.059 0.285 0.000 0.895 98 L HN 0.038 nan 8.230 nan 0.000 0.439 99 P HA -0.270 nan 4.420 nan 0.000 0.216 99 P C 1.585 178.677 177.300 -0.347 0.000 1.150 99 P CA 1.819 64.477 63.100 -0.737 0.000 0.837 99 P CB -0.399 30.579 31.700 -1.203 0.000 0.786 100 Y N 0.416 120.492 120.300 -0.373 0.000 2.097 100 Y HA -0.270 4.280 4.550 0.000 0.000 0.282 100 Y C 2.456 178.087 175.900 -0.447 0.000 1.152 100 Y CA 1.883 59.738 58.100 -0.407 0.000 1.136 100 Y CB -1.198 36.963 38.460 -0.498 0.000 0.975 100 Y HN -0.183 nan 8.280 nan 0.000 0.498 101 Y N -1.354 118.864 120.300 -0.137 0.000 2.352 101 Y HA -0.165 4.385 4.550 0.000 0.000 0.292 101 Y C 2.453 178.291 175.900 -0.102 0.000 1.136 101 Y CA 1.191 59.202 58.100 -0.148 0.000 1.227 101 Y CB -0.722 37.399 38.460 -0.565 0.000 0.991 101 Y HN -0.015 nan 8.280 nan 0.000 0.545 102 V N 0.394 120.285 119.914 -0.038 0.000 2.358 102 V HA -0.313 3.807 4.120 0.000 0.000 0.246 102 V C 1.635 177.694 176.094 -0.058 0.000 1.047 102 V CA 2.304 64.603 62.300 -0.002 0.000 1.035 102 V CB -0.663 31.167 31.823 0.012 0.000 0.658 102 V HN 0.495 nan 8.190 nan 0.000 0.452 103 N N 0.153 118.756 118.700 -0.161 0.000 2.171 103 N HA -0.091 4.649 4.740 0.000 0.000 0.184 103 N C 1.979 177.359 175.510 -0.216 0.000 1.021 103 N CA 1.102 54.033 53.050 -0.197 0.000 0.854 103 N CB -0.315 38.017 38.487 -0.259 0.000 0.994 103 N HN 0.459 nan 8.380 nan 0.000 0.426 104 A N 1.620 124.265 122.820 -0.291 0.000 1.873 104 A HA -0.146 4.174 4.320 0.000 0.000 0.218 104 A C 2.126 179.644 177.584 -0.110 0.000 1.193 104 A CA 1.221 53.100 52.037 -0.263 0.000 0.629 104 A CB -0.895 17.954 19.000 -0.251 0.000 0.826 104 A HN 0.190 nan 8.150 nan 0.000 0.447 105 L N -1.045 120.199 121.223 0.034 0.000 2.141 105 L HA -0.178 4.162 4.340 0.000 0.000 0.209 105 L C 3.087 179.910 176.870 -0.079 0.000 1.094 105 L CA 0.929 55.794 54.840 0.043 0.000 0.763 105 L CB -0.684 41.467 42.059 0.154 0.000 0.908 105 L HN 0.480 nan 8.230 nan 0.000 0.437 106 A N 0.285 123.060 122.820 -0.074 0.000 1.877 106 A HA -0.232 4.088 4.320 0.000 0.000 0.216 106 A C 1.863 179.398 177.584 -0.082 0.000 1.186 106 A CA 2.019 54.006 52.037 -0.084 0.000 0.620 106 A CB -0.555 18.392 19.000 -0.088 0.000 0.822 106 A HN 0.326 nan 8.150 nan 0.000 0.443 107 D N -0.295 120.044 120.400 -0.101 0.000 2.182 107 D HA -0.101 4.539 4.640 0.000 0.000 0.201 107 D C 1.963 178.201 176.300 -0.104 0.000 0.986 107 D CA 1.277 55.232 54.000 -0.076 0.000 0.847 107 D CB -0.368 40.360 40.800 -0.120 0.000 0.942 107 D HN 0.238 nan 8.370 nan 0.000 0.467 108 V N 0.596 120.398 119.914 -0.187 0.000 2.295 108 V HA -0.209 3.911 4.120 0.000 0.000 0.246 108 V C 2.534 178.478 176.094 -0.250 0.000 1.049 108 V CA 1.215 63.348 62.300 -0.279 0.000 1.024 108 V CB -0.487 31.060 31.823 -0.459 0.000 0.648 108 V HN 0.216 nan 8.190 nan 0.000 0.447 109 L N -1.639 119.411 121.223 -0.289 0.000 2.093 109 L HA -0.164 4.176 4.340 0.000 0.000 0.208 109 L C 2.474 179.330 176.870 -0.024 0.000 1.085 109 L CA 1.824 56.451 54.840 -0.354 0.000 0.755 109 L CB -0.545 41.269 42.059 -0.409 0.000 0.904 109 L HN 0.370 nan 8.230 nan 0.000 0.435 110 Y N 1.413 121.649 120.300 -0.105 0.000 2.314 110 Y HA -0.103 4.447 4.550 0.000 0.000 0.294 110 Y C 1.436 177.322 175.900 -0.023 0.000 1.119 110 Y CA 0.879 58.953 58.100 -0.045 0.000 1.179 110 Y CB 0.434 38.859 38.460 -0.059 0.000 1.025 110 Y HN 0.067 nan 8.280 nan 0.000 0.541 111 K N -0.193 120.204 120.400 -0.004 0.000 3.301 111 K HA 0.280 4.600 4.320 0.000 0.000 0.170 111 K C -0.782 175.746 176.600 -0.121 0.000 1.061 111 K CA -0.261 55.980 56.287 -0.077 0.000 0.807 111 K CB 0.165 32.667 32.500 0.004 0.000 0.889 111 K HN -0.174 nan 8.250 nan 0.000 0.564 112 T N 1.293 115.729 114.554 -0.196 0.000 2.851 112 T HA 0.194 4.544 4.350 0.000 0.000 0.298 112 T C 1.501 175.910 174.700 -0.485 0.000 0.977 112 T CA 0.253 62.070 62.100 -0.472 0.000 1.126 112 T CB 1.433 69.776 68.868 -0.875 0.000 0.916 112 T HN 0.498 nan 8.240 nan 0.000 0.529 113 A N 3.883 126.477 122.820 -0.377 0.000 1.908 113 A HA 0.040 4.360 4.320 0.000 0.000 0.218 113 A C 0.937 178.437 177.584 -0.140 0.000 1.181 113 A CA 0.881 52.799 52.037 -0.197 0.000 0.627 113 A CB -0.867 18.060 19.000 -0.122 0.000 0.818 113 A HN 0.881 nan 8.150 nan 0.000 0.445 114 F N -1.123 118.660 119.950 -0.278 0.000 3.027 114 F HA -0.176 4.351 4.527 0.000 0.000 0.276 114 F C 0.382 176.083 175.800 -0.166 0.000 0.967 114 F CA 0.480 58.188 58.000 -0.487 0.000 0.929 114 F CB -1.811 36.854 39.000 -0.558 0.000 0.873 114 F HN 0.116 nan 8.300 nan 0.000 0.787 115 K N 0.570 120.989 120.400 0.031 0.000 2.350 115 K HA 0.133 4.453 4.320 0.000 0.000 0.279 115 K C -1.311 175.271 176.600 -0.030 0.000 1.027 115 K CA -1.345 54.892 56.287 -0.082 0.000 0.969 115 K CB 0.670 32.948 32.500 -0.370 0.000 0.954 115 K HN -0.052 nan 8.250 nan 0.000 0.474 116 P HA -0.200 nan 4.420 nan 0.000 0.216 116 P C 1.123 178.465 177.300 0.071 0.000 1.150 116 P CA 1.437 64.578 63.100 0.068 0.000 0.843 116 P CB -0.029 31.716 31.700 0.074 0.000 0.787 117 H N -0.520 118.598 119.070 0.081 0.000 2.428 117 H HA 0.037 4.593 4.556 0.000 0.000 0.296 117 H C 1.372 176.721 175.328 0.035 0.000 1.062 117 H CA 0.972 57.050 56.048 0.048 0.000 1.350 117 H CB -0.691 29.091 29.762 0.035 0.000 1.403 117 H HN 0.211 nan 8.280 nan 0.000 0.533 118 E N 0.839 120.930 120.200 -0.182 0.000 2.153 118 E HA -0.112 4.238 4.350 0.000 0.000 0.194 118 E C 2.357 178.849 176.600 -0.181 0.000 0.988 118 E CA 0.851 57.190 56.400 -0.102 0.000 0.811 118 E CB 0.003 29.653 29.700 -0.083 0.000 0.746 118 E HN 0.280 nan 8.360 nan 0.000 0.466 119 L N 1.325 122.500 121.223 -0.080 0.000 2.046 119 L HA -0.147 4.193 4.340 0.000 0.000 0.208 119 L C 2.441 179.256 176.870 -0.092 0.000 1.077 119 L CA 2.346 57.108 54.840 -0.131 0.000 0.747 119 L CB -0.707 41.416 42.059 0.108 0.000 0.896 119 L HN 0.165 nan 8.230 nan 0.000 0.432 120 T N -4.581 109.965 114.554 -0.012 0.000 2.978 120 T HA -0.012 4.338 4.350 0.000 0.000 0.262 120 T C 1.659 176.360 174.700 0.002 0.000 1.063 120 T CA 0.969 63.071 62.100 0.004 0.000 1.140 120 T CB -0.308 68.581 68.868 0.035 0.000 0.886 120 T HN 0.443 nan 8.240 nan 0.000 0.470 121 E N 0.790 120.999 120.200 0.015 0.000 2.190 121 E HA 0.099 4.449 4.350 0.000 0.000 0.191 121 E C 1.894 178.484 176.600 -0.015 0.000 0.978 121 E CA 0.846 57.258 56.400 0.019 0.000 0.839 121 E CB 0.272 30.012 29.700 0.067 0.000 0.787 121 E HN 0.475 nan 8.360 nan 0.000 0.473 122 S N -0.708 114.954 115.700 -0.064 0.000 3.039 122 S HA 0.033 4.503 4.470 0.000 0.000 0.251 122 S C 1.990 176.510 174.600 -0.134 0.000 1.064 122 S CA -0.110 58.038 58.200 -0.087 0.000 0.822 122 S CB 0.252 63.398 63.200 -0.090 0.000 0.802 122 S HN -0.041 nan 8.310 nan 0.000 0.519 123 V N 3.254 123.008 119.914 -0.267 0.000 2.237 123 V HA -0.126 3.994 4.120 0.000 0.000 0.245 123 V C 2.274 178.251 176.094 -0.194 0.000 1.046 123 V CA 1.687 63.792 62.300 -0.325 0.000 1.007 123 V CB -0.893 30.521 31.823 -0.683 0.000 0.638 123 V HN 0.350 nan 8.190 nan 0.000 0.445 124 L N -0.225 120.903 121.223 -0.159 0.000 2.013 124 L HA -0.159 4.181 4.340 0.000 0.000 0.212 124 L C 0.155 177.023 176.870 -0.004 0.000 1.073 124 L CA 2.035 56.828 54.840 -0.079 0.000 0.753 124 L CB -1.743 40.293 42.059 -0.038 0.000 0.890 124 L HN 0.368 nan 8.230 nan 0.000 0.432 125 P HA -0.149 nan 4.420 nan 0.000 0.216 125 P C 1.445 178.805 177.300 0.100 0.000 1.153 125 P CA 1.684 64.812 63.100 0.048 0.000 0.848 125 P CB -0.001 31.710 31.700 0.019 0.000 0.787 126 A N 0.078 122.942 122.820 0.074 0.000 1.902 126 A HA -0.122 4.198 4.320 0.000 0.000 0.217 126 A C 2.315 180.034 177.584 0.225 0.000 1.181 126 A CA 2.131 54.271 52.037 0.172 0.000 0.623 126 A CB -1.624 17.440 19.000 0.107 0.000 0.818 126 A HN 0.189 nan 8.150 nan 0.000 0.443 127 A N -0.739 122.118 122.820 0.063 0.000 1.930 127 A HA -0.099 4.221 4.320 0.000 0.000 0.217 127 A C 2.165 179.883 177.584 0.224 0.000 1.175 127 A CA 1.853 53.887 52.037 -0.004 0.000 0.627 127 A CB -0.388 18.415 19.000 -0.329 0.000 0.815 127 A HN 0.403 nan 8.150 nan 0.000 0.443 128 R N -1.469 119.150 120.500 0.198 0.000 2.096 128 R HA -0.145 4.195 4.340 0.000 0.000 0.235 128 R C 1.934 178.409 176.300 0.291 0.000 1.127 128 R CA 1.821 58.059 56.100 0.230 0.000 0.968 128 R CB -0.798 29.604 30.300 0.169 0.000 0.861 128 R HN 0.732 nan 8.270 nan 0.000 0.440 129 Y N 1.063 121.451 120.300 0.147 0.000 2.184 129 Y HA -0.138 4.412 4.550 0.000 0.000 0.290 129 Y C 1.479 177.466 175.900 0.145 0.000 1.129 129 Y CA 1.704 59.878 58.100 0.123 0.000 1.144 129 Y CB -0.396 38.117 38.460 0.088 0.000 0.995 129 Y HN 0.044 nan 8.280 nan 0.000 0.513 130 D N -0.399 119.966 120.400 -0.059 0.000 2.116 130 D HA -0.265 4.375 4.640 0.000 0.000 0.193 130 D C 2.000 178.286 176.300 -0.023 0.000 0.998 130 D CA 2.011 55.934 54.000 -0.128 0.000 0.836 130 D CB -0.912 40.011 40.800 0.205 0.000 0.951 130 D HN 0.512 nan 8.370 nan 0.000 0.449 131 Y N 1.576 121.906 120.300 0.049 0.000 2.145 131 Y HA -0.167 4.383 4.550 0.000 0.000 0.286 131 Y C 2.308 178.202 175.900 -0.010 0.000 1.145 131 Y CA 1.698 59.816 58.100 0.030 0.000 1.148 131 Y CB -0.488 38.017 38.460 0.075 0.000 0.981 131 Y HN -0.046 nan 8.280 nan 0.000 0.507 132 A N -0.562 122.266 122.820 0.012 0.000 1.908 132 A HA -0.192 4.128 4.320 0.000 0.000 0.218 132 A C 2.374 179.877 177.584 -0.134 0.000 1.181 132 A CA 2.210 54.217 52.037 -0.050 0.000 0.627 132 A CB -1.389 17.669 19.000 0.097 0.000 0.818 132 A HN 0.355 nan 8.150 nan 0.000 0.445 133 V N -0.337 119.474 119.914 -0.172 0.000 2.261 133 V HA -0.239 3.882 4.120 0.000 0.000 0.246 133 V C 3.064 179.049 176.094 -0.182 0.000 1.047 133 V CA 2.055 64.249 62.300 -0.176 0.000 1.015 133 V CB -1.189 30.465 31.823 -0.282 0.000 0.642 133 V HN 0.624 nan 8.190 nan 0.000 0.446 134 A N -0.631 122.052 122.820 -0.230 0.000 1.969 134 A HA -0.251 4.069 4.320 0.000 0.000 0.218 134 A C 2.264 179.677 177.584 -0.286 0.000 1.169 134 A CA 1.753 53.649 52.037 -0.235 0.000 0.635 134 A CB -0.538 18.332 19.000 -0.216 0.000 0.810 134 A HN 0.645 nan 8.150 nan 0.000 0.445 135 E N -0.912 119.045 120.200 -0.406 0.000 2.265 135 E HA -0.248 4.102 4.350 0.000 0.000 0.196 135 E C 1.691 178.219 176.600 -0.121 0.000 0.996 135 E CA 1.177 57.345 56.400 -0.387 0.000 0.832 135 E CB -0.017 29.354 29.700 -0.549 0.000 0.756 135 E HN 0.531 nan 8.360 nan 0.000 0.491 136 Q N -0.438 119.319 119.800 -0.072 0.000 2.392 136 Q HA 0.093 4.433 4.340 0.000 0.000 0.203 136 Q C -0.404 175.628 176.000 0.053 0.000 0.917 136 Q CA 0.155 56.002 55.803 0.074 0.000 0.939 136 Q CB 0.314 29.071 28.738 0.031 0.000 1.063 136 Q HN 0.160 nan 8.270 nan 0.000 0.516 137 C N 2.304 121.547 119.300 -0.095 0.000 2.225 137 C HA 0.419 4.879 4.460 0.000 0.000 0.323 137 C C -1.331 173.496 174.990 -0.271 0.000 1.164 137 C CA -2.111 56.823 59.018 -0.141 0.000 1.565 137 C CB 0.554 28.205 27.740 -0.149 0.000 2.124 137 C HN 0.363 nan 8.230 nan 0.000 0.461 138 P HA -0.137 nan 4.420 nan 0.000 0.219 138 P C 1.458 178.556 177.300 -0.337 0.000 1.146 138 P CA 1.848 64.646 63.100 -0.502 0.000 0.808 138 P CB -0.156 31.277 31.700 -0.445 0.000 0.779 139 V N -1.924 117.802 119.914 -0.312 0.000 2.626 139 V HA -0.110 4.010 4.120 0.000 0.000 0.252 139 V C 2.210 178.037 176.094 -0.445 0.000 1.067 139 V CA 1.437 63.464 62.300 -0.455 0.000 1.081 139 V CB -1.443 29.997 31.823 -0.638 0.000 0.686 139 V HN -0.011 nan 8.190 nan 0.000 0.468 140 K N 0.882 121.094 120.400 -0.313 0.000 2.167 140 K HA 0.046 4.367 4.320 0.000 0.000 0.203 140 K C 2.360 178.870 176.600 -0.151 0.000 1.052 140 K CA 1.282 57.440 56.287 -0.216 0.000 0.956 140 K CB -0.136 32.248 32.500 -0.193 0.000 0.735 140 K HN 0.564 nan 8.250 nan 0.000 0.451 141 S N 1.044 116.623 115.700 -0.202 0.000 2.406 141 S HA -0.086 4.384 4.470 0.000 0.000 0.228 141 S C 2.084 176.632 174.600 -0.086 0.000 1.020 141 S CA 1.055 59.155 58.200 -0.167 0.000 0.965 141 S CB -0.041 62.986 63.200 -0.288 0.000 0.798 141 S HN 0.378 nan 8.310 nan 0.000 0.488 142 A N 1.615 124.392 122.820 -0.073 0.000 1.897 142 A HA -0.054 4.266 4.320 0.000 0.000 0.215 142 A C 2.036 179.736 177.584 0.192 0.000 1.181 142 A CA 1.385 53.452 52.037 0.051 0.000 0.620 142 A CB -0.540 18.535 19.000 0.124 0.000 0.821 142 A HN 0.540 nan 8.150 nan 0.000 0.443 143 E N -0.316 120.021 120.200 0.228 0.000 2.110 143 E HA -0.249 4.101 4.350 0.000 0.000 0.193 143 E C 1.354 178.156 176.600 0.336 0.000 0.988 143 E CA 1.419 58.039 56.400 0.367 0.000 0.804 143 E CB -0.115 29.748 29.700 0.272 0.000 0.745 143 E HN 0.507 nan 8.360 nan 0.000 0.458 144 D N -0.155 120.345 120.400 0.167 0.000 2.117 144 D HA -0.136 4.504 4.640 0.000 0.000 0.198 144 D C 2.032 178.424 176.300 0.153 0.000 0.982 144 D CA 0.763 54.843 54.000 0.134 0.000 0.828 144 D CB -0.012 40.815 40.800 0.044 0.000 0.967 144 D HN 0.126 nan 8.370 nan 0.000 0.464 145 Q N -0.163 119.696 119.800 0.097 0.000 2.096 145 Q HA -0.125 4.215 4.340 0.000 0.000 0.204 145 Q C 2.158 178.202 176.000 0.074 0.000 0.982 145 Q CA 0.588 56.426 55.803 0.058 0.000 0.850 145 Q CB -0.395 28.348 28.738 0.009 0.000 0.901 145 Q HN 0.286 nan 8.270 nan 0.000 0.422 146 L N -0.336 120.950 121.223 0.105 0.000 1.970 146 L HA -0.203 4.138 4.340 0.000 0.000 0.212 146 L C 2.301 179.187 176.870 0.028 0.000 1.071 146 L CA 1.798 56.663 54.840 0.042 0.000 0.751 146 L CB -1.635 40.437 42.059 0.022 0.000 0.889 146 L HN 0.247 nan 8.230 nan 0.000 0.432 147 Y N -0.209 120.144 120.300 0.088 0.000 2.151 147 Y HA -0.297 4.253 4.550 0.000 0.000 0.284 147 Y C 2.509 178.482 175.900 0.121 0.000 1.166 147 Y CA 1.787 59.991 58.100 0.173 0.000 1.163 147 Y CB -0.663 37.932 38.460 0.225 0.000 0.974 147 Y HN 0.238 nan 8.280 nan 0.000 0.511 148 A N 0.538 123.493 122.820 0.224 0.000 1.883 148 A HA -0.208 4.112 4.320 0.000 0.000 0.217 148 A C 2.217 179.808 177.584 0.012 0.000 1.186 148 A CA 2.051 54.154 52.037 0.109 0.000 0.624 148 A CB -1.339 17.698 19.000 0.061 0.000 0.822 148 A HN 0.641 nan 8.150 nan 0.000 0.444 149 I N -2.859 117.695 120.570 -0.027 0.000 2.546 149 I HA -0.073 4.098 4.170 0.000 0.000 0.255 149 I C 2.189 178.236 176.117 -0.118 0.000 1.163 149 I CA 2.036 63.280 61.300 -0.093 0.000 1.457 149 I CB -0.631 37.333 38.000 -0.059 0.000 1.092 149 I HN 0.314 nan 8.210 nan 0.000 0.434 150 T N -0.490 113.965 114.554 -0.165 0.000 3.051 150 T HA 0.160 4.510 4.350 0.000 0.000 0.255 150 T C 0.316 174.903 174.700 -0.190 0.000 1.085 150 T CA 0.199 62.138 62.100 -0.269 0.000 1.109 150 T CB -0.212 68.275 68.868 -0.634 0.000 0.921 150 T HN 0.320 nan 8.240 nan 0.000 0.488 151 F N 1.377 121.463 119.950 0.227 0.000 2.622 151 F HA 0.575 5.102 4.527 0.000 0.000 0.338 151 F C 0.745 176.626 175.800 0.135 0.000 1.334 151 F CA -1.438 56.706 58.000 0.239 0.000 1.179 151 F CB 0.346 39.438 39.000 0.153 0.000 1.471 151 F HN -0.129 nan 8.300 nan 0.000 0.576 152 R N 1.180 121.789 120.500 0.181 0.000 2.528 152 R HA -0.184 4.156 4.340 0.000 0.000 0.226 152 R C 1.258 177.590 176.300 0.053 0.000 1.229 152 R CA 1.173 57.267 56.100 -0.010 0.000 1.217 152 R CB -0.246 29.878 30.300 -0.292 0.000 0.763 152 R HN 0.580 nan 8.270 nan 0.000 0.502 153 K N -3.583 116.882 120.400 0.110 0.000 1.341 153 K HA -0.060 4.260 4.320 0.000 0.000 0.095 153 K C 0.942 177.568 176.600 0.043 0.000 2.248 153 K CA 0.442 56.766 56.287 0.061 0.000 0.947 153 K CB -0.791 31.734 32.500 0.042 0.000 2.455 153 K HN 0.215 nan 8.250 nan 0.000 0.319 154 G N 1.442 110.287 108.800 0.074 0.000 2.586 154 G HA2 0.035 3.995 3.960 0.000 0.000 0.199 154 G HA3 0.035 3.995 3.960 0.000 0.000 0.199 154 G C 0.777 175.597 174.900 -0.133 0.000 1.614 154 G CA 0.443 45.518 45.100 -0.042 0.000 0.921 154 G HN 0.045 nan 8.290 nan 0.000 0.428 155 L N 1.697 122.788 121.223 -0.220 0.000 2.599 155 L HA 0.290 4.630 4.340 0.000 0.000 0.230 155 L C 2.565 179.480 176.870 0.075 0.000 1.141 155 L CA 0.804 55.496 54.840 -0.247 0.000 0.877 155 L CB -0.392 41.365 42.059 -0.502 0.000 1.009 155 L HN 0.332 nan 8.230 nan 0.000 0.447 156 G N -0.845 108.088 108.800 0.222 0.000 2.956 156 G HA2 -0.084 3.876 3.960 0.000 0.000 0.207 156 G HA3 -0.084 3.876 3.960 0.000 0.000 0.207 156 G C 0.647 175.619 174.900 0.119 0.000 1.162 156 G CA -0.211 45.062 45.100 0.287 0.000 0.796 156 G HN 0.272 nan 8.290 nan 0.000 0.527 157 N N 1.273 119.991 118.700 0.029 0.000 2.508 157 N HA 0.236 4.976 4.740 0.000 0.000 0.264 157 N C -2.604 172.895 175.510 -0.018 0.000 1.216 157 N CA -1.393 51.652 53.050 -0.009 0.000 0.943 157 N CB 0.906 39.365 38.487 -0.047 0.000 1.113 157 N HN -0.047 nan 8.380 nan 0.000 0.447 158 P HA 0.008 nan 4.420 nan 0.000 0.268 158 P C 0.924 178.213 177.300 -0.019 0.000 1.204 158 P CA -0.315 62.782 63.100 -0.003 0.000 0.768 158 P CB 0.636 32.339 31.700 0.006 0.000 0.842 159 L N 4.721 125.922 121.223 -0.037 0.000 2.027 159 L HA -0.028 4.312 4.340 0.000 0.000 0.206 159 L C 0.521 177.369 176.870 -0.036 0.000 1.074 159 L CA 1.890 56.695 54.840 -0.058 0.000 0.745 159 L CB -0.448 41.557 42.059 -0.091 0.000 0.898 159 L HN 0.245 nan 8.230 nan 0.000 0.433 160 L N -2.066 119.158 121.223 0.002 0.000 2.365 160 L HA 0.214 4.554 4.340 0.000 0.000 0.267 160 L C -0.721 176.303 176.870 0.256 0.000 1.033 160 L CA -1.043 53.846 54.840 0.082 0.000 0.802 160 L CB 0.856 42.965 42.059 0.084 0.000 1.267 160 L HN -0.052 nan 8.230 nan 0.000 0.457 161 Y N 1.412 121.922 120.300 0.349 0.000 2.359 161 Y HA 0.077 4.627 4.550 0.000 0.000 0.334 161 Y C 0.415 176.256 175.900 -0.098 0.000 1.058 161 Y CA -0.240 57.912 58.100 0.087 0.000 1.244 161 Y CB 0.712 39.180 38.460 0.013 0.000 1.187 161 Y HN 0.674 nan 8.280 nan 0.000 0.510 162 D N 2.701 122.614 120.400 -0.811 0.000 2.500 162 D HA 0.150 4.791 4.640 0.000 0.000 0.217 162 D C 1.389 177.136 176.300 -0.921 0.000 1.159 162 D CA 0.409 53.822 54.000 -0.978 0.000 0.828 162 D CB 0.221 40.567 40.800 -0.757 0.000 1.039 162 D HN 0.897 nan 8.370 nan 0.000 0.512 163 G N 1.008 109.058 108.800 -1.250 0.000 2.184 163 G HA2 -0.360 3.600 3.960 0.000 0.000 0.264 163 G HA3 -0.360 3.600 3.960 0.000 0.000 0.264 163 G C 1.223 175.932 174.900 -0.319 0.000 0.975 163 G CA 1.059 45.739 45.100 -0.700 0.000 0.642 163 G HN 0.882 nan 8.290 nan 0.000 0.536 164 V N -2.452 117.289 119.914 -0.288 0.000 2.667 164 V HA 0.345 4.465 4.120 0.000 0.000 0.252 164 V C 0.795 176.833 176.094 -0.092 0.000 1.065 164 V CA 2.216 64.426 62.300 -0.150 0.000 1.083 164 V CB 0.121 31.872 31.823 -0.120 0.000 0.692 164 V HN 0.498 nan 8.190 nan 0.000 0.468 165 E N 1.368 121.517 120.200 -0.084 0.000 2.220 165 E HA 0.350 4.700 4.350 0.000 0.000 0.256 165 E C -0.737 175.896 176.600 0.055 0.000 0.881 165 E CA -0.902 55.489 56.400 -0.015 0.000 0.766 165 E CB 0.950 30.645 29.700 -0.007 0.000 1.187 165 E HN 0.355 nan 8.360 nan 0.000 0.419 166 R N 2.037 122.572 120.500 0.058 0.000 2.489 166 R HA 0.173 4.513 4.340 0.000 0.000 0.287 166 R C -0.412 175.947 176.300 0.100 0.000 1.053 166 R CA -0.193 55.972 56.100 0.109 0.000 1.036 166 R CB 0.298 30.632 30.300 0.057 0.000 0.966 166 R HN 0.187 nan 8.270 nan 0.000 0.432 167 V N 3.000 122.983 119.914 0.114 0.000 2.378 167 V HA 0.175 4.295 4.120 0.000 0.000 0.288 167 V C 0.692 176.757 176.094 -0.049 0.000 1.016 167 V CA -0.680 61.614 62.300 -0.010 0.000 0.840 167 V CB 1.417 33.168 31.823 -0.119 0.000 0.994 167 V HN 0.941 nan 8.190 nan 0.000 0.431 168 S N 5.247 120.926 115.700 -0.036 0.000 2.655 168 S HA 0.380 4.850 4.470 0.000 0.000 0.265 168 S C 1.187 175.760 174.600 -0.046 0.000 1.240 168 S CA -0.564 57.617 58.200 -0.032 0.000 0.986 168 S CB 0.991 64.176 63.200 -0.025 0.000 0.985 168 S HN 0.585 nan 8.310 nan 0.000 0.562 169 L N 0.168 121.375 121.223 -0.026 0.000 2.083 169 L HA -0.131 4.209 4.340 0.000 0.000 0.209 169 L C 2.724 179.525 176.870 -0.116 0.000 1.083 169 L CA 2.185 57.010 54.840 -0.025 0.000 0.752 169 L CB -0.799 41.266 42.059 0.010 0.000 0.899 169 L HN 0.936 nan 8.230 nan 0.000 0.433 170 Q N 0.250 119.989 119.800 -0.102 0.000 2.119 170 Q HA -0.217 4.123 4.340 0.000 0.000 0.201 170 Q C 1.693 177.608 176.000 -0.140 0.000 0.972 170 Q CA 1.947 57.671 55.803 -0.131 0.000 0.847 170 Q CB -0.127 28.560 28.738 -0.087 0.000 0.903 170 Q HN 0.435 nan 8.270 nan 0.000 0.433 171 D N -0.255 120.084 120.400 -0.101 0.000 2.149 171 D HA -0.144 4.496 4.640 0.000 0.000 0.198 171 D C 1.780 178.023 176.300 -0.096 0.000 0.990 171 D CA 1.227 55.177 54.000 -0.083 0.000 0.839 171 D CB -0.107 40.652 40.800 -0.069 0.000 0.948 171 D HN 0.400 nan 8.370 nan 0.000 0.460 172 I N 0.536 121.022 120.570 -0.141 0.000 2.353 172 I HA -0.198 3.972 4.170 0.000 0.000 0.248 172 I C 2.272 178.167 176.117 -0.370 0.000 1.119 172 I CA 0.912 62.116 61.300 -0.159 0.000 1.417 172 I CB -0.099 37.837 38.000 -0.106 0.000 1.078 172 I HN -0.086 nan 8.210 nan 0.000 0.421 173 K N 0.603 120.673 120.400 -0.550 0.000 2.057 173 K HA -0.154 4.166 4.320 0.000 0.000 0.206 173 K C 1.705 178.067 176.600 -0.397 0.000 1.050 173 K CA 1.315 57.159 56.287 -0.739 0.000 0.935 173 K CB -0.102 32.013 32.500 -0.643 0.000 0.715 173 K HN 0.224 nan 8.250 nan 0.000 0.439 174 D N 0.506 120.767 120.400 -0.233 0.000 2.104 174 D HA -0.175 4.465 4.640 0.000 0.000 0.194 174 D C 1.613 177.856 176.300 -0.095 0.000 0.994 174 D CA 0.998 54.918 54.000 -0.133 0.000 0.830 174 D CB -0.232 40.526 40.800 -0.069 0.000 0.959 174 D HN 0.057 nan 8.370 nan 0.000 0.452 175 F N 1.449 121.267 119.950 -0.219 0.000 2.269 175 F HA -0.068 4.459 4.527 0.000 0.000 0.301 175 F C 2.129 177.751 175.800 -0.296 0.000 1.082 175 F CA 0.963 58.844 58.000 -0.200 0.000 1.360 175 F CB -0.200 38.705 39.000 -0.158 0.000 1.041 175 F HN -0.086 nan 8.300 nan 0.000 0.512 176 A N -0.243 122.336 122.820 -0.401 0.000 1.930 176 A HA -0.152 4.168 4.320 0.000 0.000 0.217 176 A C 2.012 179.324 177.584 -0.452 0.000 1.175 176 A CA 1.836 53.506 52.037 -0.611 0.000 0.627 176 A CB -0.806 17.946 19.000 -0.414 0.000 0.815 176 A HN 0.359 nan 8.150 nan 0.000 0.443 177 D N -0.454 119.771 120.400 -0.291 0.000 2.144 177 D HA -0.127 4.513 4.640 0.000 0.000 0.200 177 D C 1.890 178.078 176.300 -0.187 0.000 0.978 177 D CA 1.455 55.346 54.000 -0.181 0.000 0.833 177 D CB -0.215 40.498 40.800 -0.145 0.000 0.961 177 D HN 0.616 nan 8.370 nan 0.000 0.470 178 K N 0.682 120.933 120.400 -0.249 0.000 2.148 178 K HA -0.075 4.245 4.320 0.000 0.000 0.204 178 K C 1.583 178.000 176.600 -0.305 0.000 1.050 178 K CA 0.888 57.035 56.287 -0.234 0.000 0.942 178 K CB 0.318 32.697 32.500 -0.201 0.000 0.724 178 K HN -0.026 nan 8.250 nan 0.000 0.446 179 V N -0.140 119.485 119.914 -0.482 0.000 3.085 179 V HA 0.001 4.121 4.120 0.000 0.000 0.245 179 V C 0.699 176.735 176.094 -0.096 0.000 1.114 179 V CA 0.135 62.185 62.300 -0.417 0.000 1.108 179 V CB -0.076 31.295 31.823 -0.753 0.000 0.798 179 V HN 0.175 nan 8.190 nan 0.000 0.471 180 Y N 3.009 123.207 120.300 -0.171 0.000 2.623 180 Y HA 0.326 4.876 4.550 0.000 0.000 0.341 180 Y C 0.826 176.694 175.900 -0.054 0.000 1.292 180 Y CA -0.457 57.592 58.100 -0.085 0.000 1.840 180 Y CB -0.176 38.248 38.460 -0.059 0.000 1.865 180 Y HN 0.300 nan 8.280 nan 0.000 0.440 181 T N -3.311 111.306 114.554 0.105 0.000 2.906 181 T HA 0.301 4.651 4.350 0.000 0.000 0.295 181 T C 0.756 175.486 174.700 0.050 0.000 1.061 181 T CA -1.161 60.972 62.100 0.055 0.000 1.000 181 T CB 2.258 71.132 68.868 0.010 0.000 1.103 181 T HN 0.311 nan 8.240 nan 0.000 0.486 182 K N 0.425 120.850 120.400 0.042 0.000 2.044 182 K HA -0.127 4.193 4.320 0.000 0.000 0.210 182 K C 1.583 178.205 176.600 0.036 0.000 1.049 182 K CA 1.580 57.889 56.287 0.037 0.000 0.927 182 K CB -0.053 32.465 32.500 0.029 0.000 0.713 182 K HN 0.611 nan 8.250 nan 0.000 0.443 183 E N 0.515 120.729 120.200 0.023 0.000 2.516 183 E HA -0.089 4.261 4.350 0.000 0.000 0.199 183 E C 0.681 177.290 176.600 0.015 0.000 1.069 183 E CA 0.566 56.975 56.400 0.015 0.000 0.876 183 E CB -0.110 29.589 29.700 -0.002 0.000 0.843 183 E HN 0.217 nan 8.360 nan 0.000 0.530 184 N N 0.156 118.878 118.700 0.036 0.000 2.204 184 N HA 0.083 4.823 4.740 0.000 0.000 0.219 184 N C -0.681 174.939 175.510 0.183 0.000 1.151 184 N CA -0.059 53.026 53.050 0.058 0.000 0.867 184 N CB 0.376 38.862 38.487 -0.003 0.000 1.043 184 N HN 0.013 nan 8.380 nan 0.000 0.516 185 L N -2.419 118.899 121.223 0.159 0.000 2.376 185 L HA 0.792 5.132 4.340 0.000 0.000 0.258 185 L C -1.071 175.883 176.870 0.140 0.000 1.013 185 L CA -0.958 53.984 54.840 0.170 0.000 0.822 185 L CB 1.910 44.028 42.059 0.098 0.000 1.388 185 L HN -0.253 nan 8.230 nan 0.000 0.413 186 E N 0.720 120.987 120.200 0.111 0.000 2.244 186 E HA 0.580 4.930 4.350 0.000 0.000 0.260 186 E C -1.312 175.305 176.600 0.028 0.000 0.884 186 E CA -0.531 55.913 56.400 0.075 0.000 0.777 186 E CB 2.286 32.041 29.700 0.092 0.000 1.197 186 E HN 0.522 nan 8.360 nan 0.000 0.416 187 V N 2.512 122.448 119.914 0.036 0.000 2.488 187 V HA 0.420 4.540 4.120 0.000 0.000 0.277 187 V C 0.037 176.152 176.094 0.035 0.000 1.046 187 V CA -0.158 62.164 62.300 0.037 0.000 0.986 187 V CB 1.353 33.205 31.823 0.049 0.000 0.989 187 V HN 0.596 nan 8.190 nan 0.000 0.475 188 S N 3.480 119.200 115.700 0.033 0.000 2.521 188 S HA 0.844 5.314 4.470 0.000 0.000 0.295 188 S C -0.225 174.404 174.600 0.048 0.000 1.098 188 S CA -0.076 58.141 58.200 0.028 0.000 0.999 188 S CB 1.668 64.865 63.200 -0.004 0.000 1.034 188 S HN 1.070 nan 8.310 nan 0.000 0.483 189 G N 1.730 110.558 108.800 0.046 0.000 2.482 189 G HA2 0.639 4.599 3.960 0.000 0.000 0.317 189 G HA3 0.639 4.599 3.960 0.000 0.000 0.317 189 G C -1.667 173.244 174.900 0.018 0.000 1.241 189 G CA -0.508 44.625 45.100 0.055 0.000 0.967 189 G HN 0.570 nan 8.290 nan 0.000 0.482 190 E N 0.540 120.735 120.200 -0.008 0.000 2.260 190 E HA 0.410 4.760 4.350 0.000 0.000 0.266 190 E C -0.081 176.478 176.600 -0.068 0.000 0.887 190 E CA -0.602 55.775 56.400 -0.038 0.000 0.777 190 E CB 0.783 30.450 29.700 -0.055 0.000 1.205 190 E HN 0.347 nan 8.360 nan 0.000 0.414 191 N N 1.468 120.139 118.700 -0.050 0.000 2.776 191 N HA -0.123 4.617 4.740 0.000 0.000 0.249 191 N C -1.365 174.126 175.510 -0.032 0.000 1.111 191 N CA 1.092 54.109 53.050 -0.056 0.000 0.711 191 N CB -1.337 37.089 38.487 -0.102 0.000 1.065 191 N HN 0.195 nan 8.380 nan 0.000 0.556 192 V N 0.085 120.003 119.914 0.006 0.000 2.735 192 V HA 0.530 4.650 4.120 0.000 0.000 0.310 192 V C 0.554 176.679 176.094 0.052 0.000 1.061 192 V CA -1.162 61.173 62.300 0.057 0.000 0.913 192 V CB 2.291 34.173 31.823 0.098 0.000 1.005 192 V HN 0.113 nan 8.190 nan 0.000 0.428 193 V N 1.182 121.134 119.914 0.063 0.000 2.415 193 V HA 0.306 4.426 4.120 0.000 0.000 0.267 193 V C 1.175 177.287 176.094 0.029 0.000 1.042 193 V CA 0.215 62.538 62.300 0.037 0.000 1.000 193 V CB 0.597 32.439 31.823 0.031 0.000 1.015 193 V HN 1.038 nan 8.190 nan 0.000 0.478 194 E N 4.161 124.371 120.200 0.017 0.000 2.171 194 E HA -0.226 4.124 4.350 0.000 0.000 0.197 194 E C 2.012 178.603 176.600 -0.015 0.000 0.997 194 E CA 1.725 58.131 56.400 0.011 0.000 0.810 194 E CB 0.043 29.749 29.700 0.009 0.000 0.738 194 E HN 1.002 nan 8.360 nan 0.000 0.467 195 A N 1.370 124.170 122.820 -0.034 0.000 1.858 195 A HA -0.217 4.103 4.320 0.000 0.000 0.216 195 A C 1.845 179.347 177.584 -0.137 0.000 1.190 195 A CA 1.886 53.882 52.037 -0.068 0.000 0.617 195 A CB -0.495 18.468 19.000 -0.062 0.000 0.827 195 A HN 0.268 nan 8.150 nan 0.000 0.443 196 D N -0.516 119.781 120.400 -0.172 0.000 2.144 196 D HA -0.093 4.548 4.640 0.000 0.000 0.200 196 D C 1.847 177.939 176.300 -0.346 0.000 0.978 196 D CA 0.988 54.743 54.000 -0.408 0.000 0.833 196 D CB -0.431 40.184 40.800 -0.308 0.000 0.961 196 D HN 0.298 nan 8.370 nan 0.000 0.470 197 L N 1.536 122.735 121.223 -0.041 0.000 1.989 197 L HA -0.185 4.155 4.340 0.000 0.000 0.211 197 L C 1.990 178.889 176.870 0.049 0.000 1.071 197 L CA 1.859 56.755 54.840 0.095 0.000 0.749 197 L CB -0.358 41.761 42.059 0.101 0.000 0.890 197 L HN -0.136 nan 8.230 nan 0.000 0.431 198 K N -0.992 119.403 120.400 -0.009 0.000 2.057 198 K HA -0.223 4.097 4.320 0.000 0.000 0.207 198 K C 2.281 178.861 176.600 -0.033 0.000 1.049 198 K CA 1.586 57.867 56.287 -0.010 0.000 0.931 198 K CB -0.273 32.215 32.500 -0.020 0.000 0.714 198 K HN 0.328 nan 8.250 nan 0.000 0.440 199 R N 0.670 121.097 120.500 -0.122 0.000 2.070 199 R HA -0.126 4.214 4.340 0.000 0.000 0.233 199 R C 2.140 178.400 176.300 -0.067 0.000 1.137 199 R CA 1.545 57.544 56.100 -0.168 0.000 0.945 199 R CB -0.327 29.763 30.300 -0.350 0.000 0.845 199 R HN 0.152 nan 8.270 nan 0.000 0.430 200 F N 0.108 120.063 119.950 0.008 0.000 2.186 200 F HA -0.173 4.354 4.527 0.000 0.000 0.299 200 F C 2.398 178.193 175.800 -0.009 0.000 1.090 200 F CA 0.490 58.492 58.000 0.002 0.000 1.307 200 F CB -0.034 38.975 39.000 0.015 0.000 1.019 200 F HN -0.101 nan 8.300 nan 0.000 0.489 201 V N -0.007 120.012 119.914 0.174 0.000 2.307 201 V HA -0.288 3.832 4.120 0.000 0.000 0.245 201 V C 1.762 177.885 176.094 0.047 0.000 1.045 201 V CA 1.986 64.341 62.300 0.090 0.000 1.024 201 V CB -0.496 31.369 31.823 0.068 0.000 0.651 201 V HN 0.244 nan 8.190 nan 0.000 0.449 202 D N -0.350 120.072 120.400 0.037 0.000 2.178 202 D HA -0.170 4.470 4.640 0.000 0.000 0.202 202 D C 2.141 178.448 176.300 0.011 0.000 0.974 202 D CA 1.144 55.152 54.000 0.013 0.000 0.841 202 D CB -0.156 40.646 40.800 0.003 0.000 0.953 202 D HN 0.557 nan 8.370 nan 0.000 0.478 203 E N 0.536 120.761 120.200 0.042 0.000 2.418 203 E HA -0.057 4.294 4.350 0.000 0.000 0.197 203 E C 0.530 177.137 176.600 0.010 0.000 1.026 203 E CA -0.037 56.390 56.400 0.045 0.000 0.862 203 E CB 0.310 30.083 29.700 0.123 0.000 0.799 203 E HN 0.229 nan 8.360 nan 0.000 0.518 204 S N -1.101 114.597 115.700 -0.003 0.000 2.719 204 S HA 0.205 4.675 4.470 0.000 0.000 0.285 204 S C 0.992 175.522 174.600 -0.117 0.000 1.137 204 S CA -0.773 57.393 58.200 -0.057 0.000 1.012 204 S CB 0.751 63.927 63.200 -0.040 0.000 1.134 204 S HN 0.208 nan 8.310 nan 0.000 0.544 205 L N 0.853 121.969 121.223 -0.178 0.000 2.622 205 L HA 0.022 4.362 4.340 0.000 0.000 0.233 205 L C 1.566 178.315 176.870 -0.202 0.000 1.156 205 L CA 0.008 54.658 54.840 -0.317 0.000 0.866 205 L CB -0.522 41.270 42.059 -0.445 0.000 0.980 205 L HN 0.581 nan 8.230 nan 0.000 0.448 206 L N -0.150 121.014 121.223 -0.098 0.000 2.005 206 L HA -0.172 4.168 4.340 0.000 0.000 0.207 206 L C 2.856 179.709 176.870 -0.028 0.000 1.072 206 L CA 2.268 57.083 54.840 -0.040 0.000 0.744 206 L CB -1.318 40.730 42.059 -0.018 0.000 0.895 206 L HN 0.412 nan 8.230 nan 0.000 0.433 207 S N -2.141 113.535 115.700 -0.040 0.000 2.442 207 S HA -0.144 4.326 4.470 0.000 0.000 0.236 207 S C 1.667 176.249 174.600 -0.030 0.000 1.007 207 S CA 1.515 59.699 58.200 -0.027 0.000 0.965 207 S CB -0.682 62.501 63.200 -0.027 0.000 0.773 207 S HN 0.454 nan 8.310 nan 0.000 0.504 208 T N 1.814 116.321 114.554 -0.078 0.000 3.088 208 T HA 0.325 4.675 4.350 0.000 0.000 0.259 208 T C 0.605 175.356 174.700 0.086 0.000 1.122 208 T CA -0.099 61.961 62.100 -0.067 0.000 1.095 208 T CB -0.295 68.406 68.868 -0.278 0.000 0.930 208 T HN 0.324 nan 8.240 nan 0.000 0.508 209 L N 3.623 124.911 121.223 0.109 0.000 2.485 209 L HA 0.168 4.508 4.340 0.000 0.000 0.275 209 L C -1.789 175.147 176.870 0.109 0.000 1.207 209 L CA -1.801 53.150 54.840 0.186 0.000 0.855 209 L CB 0.276 42.414 42.059 0.131 0.000 1.114 209 L HN -0.010 nan 8.230 nan 0.000 0.485 210 P HA 0.039 nan 4.420 nan 0.000 0.271 210 P C -1.035 176.287 177.300 0.036 0.000 1.220 210 P CA -0.369 62.762 63.100 0.051 0.000 0.768 210 P CB 0.913 32.631 31.700 0.030 0.000 0.848 211 A N 4.025 126.860 122.820 0.025 0.000 2.527 211 A HA 0.514 4.834 4.320 0.000 0.000 0.313 211 A C 1.173 178.759 177.584 0.004 0.000 1.410 211 A CA -0.083 51.964 52.037 0.016 0.000 1.060 211 A CB -0.559 18.449 19.000 0.014 0.000 1.137 211 A HN 0.619 nan 8.150 nan 0.000 0.542 212 G N 1.927 110.725 108.800 -0.003 0.000 3.022 212 G HA2 0.276 4.236 3.960 0.000 0.000 0.157 212 G HA3 0.276 4.236 3.960 0.000 0.000 0.157 212 G C 0.747 175.634 174.900 -0.022 0.000 1.691 212 G CA 0.048 45.137 45.100 -0.017 0.000 1.079 212 G HN 0.639 nan 8.290 nan 0.000 0.549 213 K N -1.515 118.864 120.400 -0.035 0.000 4.085 213 K HA 0.566 4.886 4.320 0.000 0.000 0.195 213 K C -0.375 176.192 176.600 -0.055 0.000 1.134 213 K CA 0.096 56.360 56.287 -0.039 0.000 1.809 213 K CB 0.278 32.755 32.500 -0.039 0.000 2.561 213 K HN 0.381 nan 8.250 nan 0.000 0.604 214 S N 0.010 115.662 115.700 -0.081 0.000 2.188 214 S HA 0.080 4.550 4.470 0.000 0.000 0.261 214 S C -0.603 173.910 174.600 -0.145 0.000 0.745 214 S CA -0.512 57.611 58.200 -0.127 0.000 0.907 214 S CB -0.144 62.990 63.200 -0.110 0.000 1.276 214 S HN 0.487 nan 8.310 nan 0.000 0.393 215 L N 4.129 125.231 121.223 -0.201 0.000 2.675 215 L HA 0.236 4.576 4.340 0.000 0.000 0.238 215 L C 0.218 177.069 176.870 -0.032 0.000 1.155 215 L CA 0.348 55.124 54.840 -0.107 0.000 0.881 215 L CB 0.066 42.081 42.059 -0.074 0.000 1.008 215 L HN 0.629 nan 8.230 nan 0.000 0.443 216 V N 0.246 120.059 119.914 -0.169 0.000 2.420 216 V HA -0.062 4.059 4.120 0.000 0.000 0.274 216 V C 0.888 176.964 176.094 -0.030 0.000 1.003 216 V CA 0.259 62.479 62.300 -0.132 0.000 1.092 216 V CB 0.306 31.907 31.823 -0.370 0.000 1.002 216 V HN 0.269 nan 8.190 nan 0.000 0.473 217 S N 3.576 119.300 115.700 0.041 0.000 2.580 217 S HA 0.310 4.780 4.470 0.000 0.000 0.274 217 S C 0.919 175.527 174.600 0.015 0.000 1.329 217 S CA -0.436 57.778 58.200 0.024 0.000 1.036 217 S CB 1.295 64.511 63.200 0.026 0.000 0.919 217 S HN 0.839 nan 8.310 nan 0.000 0.515 218 K N 2.354 122.761 120.400 0.012 0.000 2.262 218 K HA 0.172 4.492 4.320 0.000 0.000 0.200 218 K C 0.584 177.196 176.600 0.020 0.000 1.058 218 K CA 0.492 56.788 56.287 0.016 0.000 0.974 218 K CB -0.169 32.338 32.500 0.011 0.000 0.910 218 K HN 0.682 nan 8.250 nan 0.000 0.484 219 S N 1.419 117.129 115.700 0.017 0.000 2.562 219 S HA 0.056 4.526 4.470 0.000 0.000 0.281 219 S C -0.362 174.253 174.600 0.024 0.000 1.333 219 S CA -0.616 57.596 58.200 0.020 0.000 1.052 219 S CB 0.549 63.758 63.200 0.015 0.000 0.884 219 S HN 0.224 nan 8.310 nan 0.000 0.506 220 E N 3.120 123.344 120.200 0.040 0.000 2.415 220 E HA 0.176 4.526 4.350 0.000 0.000 0.263 220 E C -2.103 174.535 176.600 0.064 0.000 0.995 220 E CA -1.266 55.171 56.400 0.061 0.000 0.915 220 E CB -0.220 29.538 29.700 0.097 0.000 0.951 220 E HN 0.525 nan 8.360 nan 0.000 0.449 221 P HA -0.019 nan 4.420 nan 0.000 0.269 221 P C -0.639 176.754 177.300 0.156 0.000 1.209 221 P CA -0.195 62.936 63.100 0.052 0.000 0.776 221 P CB 0.488 32.146 31.700 -0.071 0.000 0.876 222 K N 2.762 123.215 120.400 0.088 0.000 2.412 222 K HA 0.241 4.561 4.320 0.000 0.000 0.281 222 K C -0.498 176.159 176.600 0.094 0.000 1.027 222 K CA -0.141 56.120 56.287 -0.042 0.000 0.989 222 K CB -0.147 32.283 32.500 -0.116 0.000 0.935 222 K HN 0.410 nan 8.250 nan 0.000 0.475 223 F N 2.097 121.972 119.950 -0.124 0.000 2.639 223 F HA 0.725 5.252 4.527 0.000 0.000 0.339 223 F C -1.241 174.279 175.800 -0.466 0.000 1.071 223 F CA -1.319 56.637 58.000 -0.074 0.000 0.994 223 F CB 0.800 39.821 39.000 0.034 0.000 1.341 223 F HN 0.227 nan 8.300 nan 0.000 0.498 224 F N 0.759 120.822 119.950 0.190 0.000 2.588 224 F HA 0.791 5.318 4.527 0.000 0.000 0.314 224 F C -0.881 175.000 175.800 0.134 0.000 1.069 224 F CA -0.977 57.066 58.000 0.072 0.000 0.931 224 F CB 2.237 41.233 39.000 -0.007 0.000 1.260 224 F HN 0.394 nan 8.300 nan 0.000 0.465 225 L N 0.274 121.648 121.223 0.252 0.000 2.424 225 L HA 0.671 5.011 4.340 0.000 0.000 0.258 225 L C 0.470 177.379 176.870 0.064 0.000 0.995 225 L CA -0.796 54.131 54.840 0.145 0.000 0.821 225 L CB 2.269 44.422 42.059 0.157 0.000 1.383 225 L HN 0.836 nan 8.230 nan 0.000 0.410 226 G N 0.205 108.989 108.800 -0.028 0.000 2.159 226 G HA2 -0.178 3.782 3.960 0.000 0.000 0.256 226 G HA3 -0.178 3.782 3.960 0.000 0.000 0.256 226 G C 0.050 174.927 174.900 -0.038 0.000 0.977 226 G CA -0.236 44.815 45.100 -0.081 0.000 0.652 226 G HN 0.521 nan 8.290 nan 0.000 0.531 227 E N 0.869 121.069 120.200 0.001 0.000 2.313 227 E HA 0.537 4.887 4.350 0.000 0.000 0.272 227 E C 0.476 177.094 176.600 0.031 0.000 1.038 227 E CA 0.130 56.537 56.400 0.012 0.000 0.863 227 E CB 1.346 31.048 29.700 0.004 0.000 1.060 227 E HN 0.840 nan 8.360 nan 0.000 0.402 228 E N 1.321 121.547 120.200 0.043 0.000 2.366 228 E HA 0.558 4.908 4.350 0.000 0.000 0.278 228 E C -1.287 175.336 176.600 0.038 0.000 0.923 228 E CA -0.915 55.532 56.400 0.078 0.000 0.761 228 E CB 1.652 31.458 29.700 0.177 0.000 1.231 228 E HN 0.210 nan 8.360 nan 0.000 0.443 229 N N 0.808 119.509 118.700 0.001 0.000 2.264 229 N HA 0.444 5.184 4.740 0.000 0.000 0.288 229 N C -1.801 173.678 175.510 -0.052 0.000 1.094 229 N CA -0.691 52.350 53.050 -0.016 0.000 0.817 229 N CB 1.856 40.328 38.487 -0.025 0.000 1.604 229 N HN 0.505 nan 8.380 nan 0.000 0.473 230 R N 1.292 121.773 120.500 -0.031 0.000 2.534 230 R HA 0.697 5.038 4.340 0.000 0.000 0.301 230 R C -1.228 175.057 176.300 -0.025 0.000 0.961 230 R CA -0.989 55.079 56.100 -0.053 0.000 0.871 230 R CB 1.910 32.181 30.300 -0.048 0.000 1.170 230 R HN 0.164 nan 8.270 nan 0.000 0.446 231 V N 2.988 122.885 119.914 -0.029 0.000 2.483 231 V HA 0.413 4.533 4.120 0.000 0.000 0.297 231 V C 0.103 176.223 176.094 0.045 0.000 1.027 231 V CA -1.068 61.235 62.300 0.005 0.000 0.855 231 V CB 1.746 33.562 31.823 -0.011 0.000 0.995 231 V HN 0.664 nan 8.190 nan 0.000 0.424 232 R N 3.283 123.823 120.500 0.067 0.000 2.491 232 R HA 0.562 4.902 4.340 0.000 0.000 0.283 232 R C -1.003 175.411 176.300 0.190 0.000 1.072 232 R CA 0.019 56.176 56.100 0.094 0.000 1.048 232 R CB 0.687 31.025 30.300 0.062 0.000 0.983 232 R HN 0.630 nan 8.270 nan 0.000 0.450 233 F N 2.518 122.458 119.950 -0.016 0.000 2.641 233 F HA 0.410 4.937 4.527 0.000 0.000 0.308 233 F C -1.292 174.498 175.800 -0.016 0.000 1.105 233 F CA -0.995 56.994 58.000 -0.018 0.000 0.964 233 F CB 1.292 40.275 39.000 -0.027 0.000 1.294 233 F HN 0.285 nan 8.300 nan 0.000 0.442 234 I N 5.567 125.618 120.570 -0.865 0.000 2.315 234 I HA 0.694 4.864 4.170 0.000 0.000 0.291 234 I C 0.523 176.075 176.117 -0.943 0.000 1.006 234 I CA 0.158 61.062 61.300 -0.659 0.000 1.265 234 I CB 0.591 38.332 38.000 -0.432 0.000 1.387 234 I HN 0.917 nan 8.210 nan 0.000 0.475 235 G N 5.438 114.003 108.800 -0.391 0.000 2.250 235 G HA2 -0.115 3.845 3.960 0.000 0.000 0.252 235 G HA3 -0.115 3.845 3.960 0.000 0.000 0.252 235 G C -1.237 173.693 174.900 0.049 0.000 1.325 235 G CA -0.886 44.113 45.100 -0.167 0.000 1.091 235 G HN 0.447 nan 8.290 nan 0.000 0.476 236 D N 0.735 121.228 120.400 0.155 0.000 2.423 236 D HA 0.509 5.149 4.640 0.000 0.000 0.238 236 D C 0.563 176.968 176.300 0.175 0.000 1.142 236 D CA 0.653 54.733 54.000 0.133 0.000 0.884 236 D CB 1.126 41.988 40.800 0.103 0.000 1.199 236 D HN 0.416 nan 8.370 nan 0.000 0.438 237 S N 0.020 115.783 115.700 0.106 0.000 2.578 237 S HA 0.579 5.049 4.470 0.000 0.000 0.283 237 S C -0.559 174.077 174.600 0.059 0.000 1.195 237 S CA -0.778 57.477 58.200 0.092 0.000 1.050 237 S CB 1.832 65.072 63.200 0.068 0.000 1.012 237 S HN 0.277 nan 8.310 nan 0.000 0.511 238 V N 1.695 121.629 119.914 0.033 0.000 2.733 238 V HA 0.824 4.944 4.120 0.000 0.000 0.306 238 V C -1.192 174.910 176.094 0.014 0.000 1.084 238 V CA -0.556 61.762 62.300 0.030 0.000 0.905 238 V CB 1.470 33.297 31.823 0.006 0.000 1.010 238 V HN 1.014 nan 8.190 nan 0.000 0.424 239 A N 5.514 128.369 122.820 0.060 0.000 2.304 239 A HA 1.026 5.346 4.320 0.000 0.000 0.314 239 A C -0.127 177.512 177.584 0.091 0.000 1.187 239 A CA 0.085 52.153 52.037 0.050 0.000 0.810 239 A CB 1.394 20.536 19.000 0.236 0.000 1.183 239 A HN 2.129 nan 8.150 nan 0.000 0.487 240 A N 2.253 125.062 122.820 -0.019 0.000 2.515 240 A HA 0.876 5.196 4.320 0.000 0.000 0.296 240 A C -0.570 177.033 177.584 0.031 0.000 1.094 240 A CA -0.519 51.505 52.037 -0.021 0.000 0.718 240 A CB 1.037 20.028 19.000 -0.014 0.000 1.307 240 A HN 1.706 nan 8.150 nan 0.000 0.408 241 I N -1.300 119.258 120.570 -0.020 0.000 2.647 241 I HA 0.895 5.065 4.170 0.000 0.000 0.295 241 I C -0.038 176.092 176.117 0.022 0.000 1.078 241 I CA -0.889 60.492 61.300 0.135 0.000 1.048 241 I CB 2.371 40.428 38.000 0.094 0.000 1.239 241 I HN 0.728 nan 8.210 nan 0.000 0.421 242 G N 5.753 114.627 108.800 0.122 0.000 2.495 242 G HA2 0.793 4.753 3.960 0.000 0.000 0.318 242 G HA3 0.793 4.753 3.960 0.000 0.000 0.318 242 G C -1.218 173.763 174.900 0.136 0.000 1.257 242 G CA -0.790 44.337 45.100 0.046 0.000 0.962 242 G HN 0.644 nan 8.290 nan 0.000 0.483 243 I N 2.124 122.772 120.570 0.130 0.000 2.500 243 I HA 0.264 4.434 4.170 0.000 0.000 0.286 243 I C -2.586 173.486 176.117 -0.074 0.000 1.063 243 I CA -2.084 59.268 61.300 0.086 0.000 1.062 243 I CB 3.353 41.480 38.000 0.212 0.000 1.223 243 I HN 0.197 nan 8.210 nan 0.000 0.435 244 P HA 0.152 nan 4.420 nan 0.000 0.276 244 P C -0.849 176.237 177.300 -0.356 0.000 1.235 244 P CA -0.227 62.730 63.100 -0.239 0.000 0.772 244 P CB 0.911 32.332 31.700 -0.466 0.000 0.871 245 V N 0.550 120.311 119.914 -0.255 0.000 2.769 245 V HA 0.498 4.618 4.120 0.000 0.000 0.312 245 V C -0.113 175.887 176.094 -0.156 0.000 1.061 245 V CA -1.017 61.078 62.300 -0.342 0.000 0.931 245 V CB 1.757 33.279 31.823 -0.501 0.000 1.010 245 V HN 0.366 nan 8.190 nan 0.000 0.433 246 N N 1.927 120.552 118.700 -0.125 0.000 2.326 246 N HA 0.184 4.924 4.740 0.000 0.000 0.239 246 N C 0.580 176.093 175.510 0.006 0.000 1.301 246 N CA -0.241 52.790 53.050 -0.031 0.000 0.909 246 N CB 0.593 39.077 38.487 -0.005 0.000 1.156 246 N HN 0.704 nan 8.380 nan 0.000 0.462 247 K N 0.260 120.677 120.400 0.028 0.000 2.439 247 K HA -0.050 4.271 4.320 0.000 0.000 0.197 247 K C 0.988 177.603 176.600 0.026 0.000 1.041 247 K CA 0.724 57.033 56.287 0.036 0.000 0.970 247 K CB 0.151 32.675 32.500 0.040 0.000 0.773 247 K HN 0.496 nan 8.250 nan 0.000 0.479 248 A N 0.161 122.996 122.820 0.024 0.000 2.070 248 A HA 0.047 4.367 4.320 0.000 0.000 0.202 248 A C 1.878 179.486 177.584 0.039 0.000 1.277 248 A CA 0.231 52.281 52.037 0.022 0.000 0.872 248 A CB 0.117 19.130 19.000 0.022 0.000 0.933 248 A HN 0.139 nan 8.150 nan 0.000 0.475 249 S N 0.522 116.254 115.700 0.053 0.000 2.555 249 S HA -0.023 4.447 4.470 0.000 0.000 0.230 249 S C 1.703 176.411 174.600 0.180 0.000 0.978 249 S CA 0.819 59.086 58.200 0.112 0.000 0.934 249 S CB -0.757 62.495 63.200 0.088 0.000 0.766 249 S HN 0.644 nan 8.310 nan 0.000 0.533 250 L N -1.222 120.060 121.223 0.100 0.000 2.622 250 L HA 0.335 4.675 4.340 0.000 0.000 0.233 250 L C 1.996 178.963 176.870 0.161 0.000 1.156 250 L CA 0.879 55.798 54.840 0.132 0.000 0.866 250 L CB -0.761 41.340 42.059 0.071 0.000 0.980 250 L HN 0.279 nan 8.230 nan 0.000 0.448 251 A N 1.710 124.594 122.820 0.106 0.000 1.898 251 A HA -0.180 4.141 4.320 0.000 0.000 0.214 251 A C 2.370 180.062 177.584 0.181 0.000 1.183 251 A CA 1.256 53.322 52.037 0.047 0.000 0.622 251 A CB -0.435 18.527 19.000 -0.063 0.000 0.824 251 A HN 0.727 nan 8.150 nan 0.000 0.444 252 Q N -2.149 117.746 119.800 0.159 0.000 2.230 252 Q HA -0.119 4.222 4.340 0.000 0.000 0.202 252 Q C 1.577 177.532 176.000 -0.075 0.000 0.963 252 Q CA 1.533 57.369 55.803 0.055 0.000 0.866 252 Q CB -0.569 28.173 28.738 0.007 0.000 0.931 252 Q HN 0.646 nan 8.270 nan 0.000 0.452 253 Y N 1.123 121.424 120.300 0.001 0.000 2.373 253 Y HA -0.018 4.532 4.550 0.000 0.000 0.293 253 Y C 2.339 178.303 175.900 0.106 0.000 1.129 253 Y CA 0.915 58.989 58.100 -0.043 0.000 1.226 253 Y CB 0.202 38.673 38.460 0.020 0.000 1.000 253 Y HN 0.156 nan 8.280 nan 0.000 0.549 254 E N 0.083 120.458 120.200 0.292 0.000 2.106 254 E HA -0.141 4.209 4.350 0.000 0.000 0.192 254 E C 2.424 179.146 176.600 0.203 0.000 0.984 254 E CA 1.428 58.004 56.400 0.293 0.000 0.806 254 E CB -0.241 29.718 29.700 0.433 0.000 0.750 254 E HN 0.419 nan 8.360 nan 0.000 0.458 255 V N -0.500 119.510 119.914 0.160 0.000 2.591 255 V HA -0.109 4.012 4.120 0.000 0.000 0.249 255 V C 2.366 178.490 176.094 0.050 0.000 1.053 255 V CA 1.078 63.419 62.300 0.069 0.000 1.068 255 V CB -0.482 31.367 31.823 0.044 0.000 0.689 255 V HN 0.133 nan 8.190 nan 0.000 0.462 256 L N 1.905 123.083 121.223 -0.076 0.000 1.989 256 L HA 0.021 4.362 4.340 0.000 0.000 0.211 256 L C 2.696 179.631 176.870 0.108 0.000 1.071 256 L CA 2.699 57.417 54.840 -0.203 0.000 0.749 256 L CB -1.246 40.367 42.059 -0.743 0.000 0.890 256 L HN 0.357 nan 8.230 nan 0.000 0.431 257 A N -0.335 122.648 122.820 0.271 0.000 1.865 257 A HA -0.296 4.025 4.320 0.000 0.000 0.217 257 A C 2.103 179.799 177.584 0.187 0.000 1.191 257 A CA 2.381 54.609 52.037 0.319 0.000 0.623 257 A CB -1.134 18.026 19.000 0.268 0.000 0.826 257 A HN 0.662 nan 8.150 nan 0.000 0.444 258 N N -1.905 116.897 118.700 0.171 0.000 2.188 258 N HA -0.156 4.584 4.740 0.000 0.000 0.184 258 N C 1.616 177.273 175.510 0.245 0.000 1.018 258 N CA 1.549 54.719 53.050 0.199 0.000 0.858 258 N CB -0.416 38.164 38.487 0.156 0.000 0.989 258 N HN 0.657 nan 8.380 nan 0.000 0.426 259 Y N 1.434 121.784 120.300 0.083 0.000 2.128 259 Y HA -0.108 4.442 4.550 0.000 0.000 0.284 259 Y C 1.615 177.513 175.900 -0.002 0.000 1.154 259 Y CA 1.431 59.539 58.100 0.014 0.000 1.149 259 Y CB -0.316 38.119 38.460 -0.041 0.000 0.976 259 Y HN 0.014 nan 8.280 nan 0.000 0.505 260 L N -0.637 120.569 121.223 -0.028 0.000 2.291 260 L HA -0.088 4.252 4.340 0.000 0.000 0.214 260 L C 0.934 177.754 176.870 -0.083 0.000 1.120 260 L CA 1.309 56.088 54.840 -0.103 0.000 0.799 260 L CB -0.435 41.670 42.059 0.077 0.000 0.925 260 L HN 0.155 nan 8.230 nan 0.000 0.446 261 T N -0.307 114.238 114.554 -0.015 0.000 3.268 261 T HA 0.233 4.583 4.350 0.000 0.000 0.258 261 T C 0.180 174.891 174.700 0.018 0.000 0.966 261 T CA -0.110 61.997 62.100 0.012 0.000 0.952 261 T CB -0.056 68.846 68.868 0.057 0.000 1.132 261 T HN 0.343 nan 8.240 nan 0.000 0.536 262 S N -0.445 115.195 115.700 -0.100 0.000 2.671 262 S HA 0.748 5.218 4.470 0.000 0.000 0.277 262 S C 1.028 175.478 174.600 -0.250 0.000 1.165 262 S CA -0.458 57.628 58.200 -0.190 0.000 0.822 262 S CB 1.257 64.214 63.200 -0.404 0.000 1.150 262 S HN 0.058 nan 8.310 nan 0.000 0.479 263 A N 0.183 122.848 122.820 -0.257 0.000 2.209 263 A HA 0.245 4.565 4.320 0.000 0.000 0.212 263 A C 1.701 179.152 177.584 -0.222 0.000 1.158 263 A CA 0.552 52.468 52.037 -0.202 0.000 0.742 263 A CB -1.002 17.903 19.000 -0.157 0.000 0.790 263 A HN 0.763 nan 8.150 nan 0.000 0.472 264 L N -0.736 120.308 121.223 -0.297 0.000 2.217 264 L HA -0.010 4.330 4.340 0.000 0.000 0.211 264 L C 1.352 178.024 176.870 -0.330 0.000 1.107 264 L CA 0.637 55.330 54.840 -0.245 0.000 0.783 264 L CB -0.175 41.780 42.059 -0.173 0.000 0.919 264 L HN 0.390 nan 8.230 nan 0.000 0.442 265 S N -0.136 115.239 115.700 -0.542 0.000 2.442 265 S HA 0.154 4.624 4.470 0.000 0.000 0.297 265 S C 0.607 175.064 174.600 -0.238 0.000 1.131 265 S CA -0.624 57.253 58.200 -0.538 0.000 1.092 265 S CB 1.048 63.763 63.200 -0.809 0.000 0.998 265 S HN 0.198 nan 8.310 nan 0.000 0.478 266 E N 3.016 123.141 120.200 -0.125 0.000 2.382 266 E HA 0.066 4.416 4.350 0.000 0.000 0.190 266 E C 0.081 176.647 176.600 -0.056 0.000 1.125 266 E CA 0.192 56.549 56.400 -0.071 0.000 0.929 266 E CB -0.214 29.468 29.700 -0.031 0.000 1.053 266 E HN 0.586 nan 8.360 nan 0.000 0.475 267 L N -4.034 117.141 121.223 -0.080 0.000 3.573 267 L HA 0.253 4.593 4.340 0.000 0.000 0.335 267 L C 1.264 178.099 176.870 -0.059 0.000 1.321 267 L CA -0.238 54.573 54.840 -0.049 0.000 1.009 267 L CB -0.172 41.876 42.059 -0.017 0.000 1.417 267 L HN -0.093 nan 8.230 nan 0.000 0.619 268 S N -0.707 114.936 115.700 -0.094 0.000 2.436 268 S HA 0.099 4.569 4.470 0.000 0.000 0.228 268 S C 1.663 176.237 174.600 -0.044 0.000 1.014 268 S CA 0.772 58.922 58.200 -0.084 0.000 0.950 268 S CB -0.552 62.573 63.200 -0.125 0.000 0.784 268 S HN 0.477 nan 8.310 nan 0.000 0.504 269 G N 0.342 109.118 108.800 -0.040 0.000 2.985 269 G HA2 0.296 4.256 3.960 0.000 0.000 0.209 269 G HA3 0.296 4.256 3.960 0.000 0.000 0.209 269 G C 0.918 175.813 174.900 -0.008 0.000 1.165 269 G CA -0.022 45.064 45.100 -0.022 0.000 0.776 269 G HN 0.437 nan 8.290 nan 0.000 0.541 270 L N 0.711 121.930 121.223 -0.006 0.000 2.616 270 L HA 0.470 4.810 4.340 0.000 0.000 0.229 270 L C 0.686 177.568 176.870 0.021 0.000 1.110 270 L CA 0.127 54.972 54.840 0.008 0.000 0.884 270 L CB 0.264 42.326 42.059 0.007 0.000 1.115 270 L HN 0.297 nan 8.230 nan 0.000 0.481 271 I N -5.498 115.084 120.570 0.019 0.000 2.498 271 I HA 0.402 4.572 4.170 0.000 0.000 0.290 271 I C 0.761 176.905 176.117 0.044 0.000 1.032 271 I CA -0.378 60.944 61.300 0.038 0.000 1.073 271 I CB 1.819 39.841 38.000 0.036 0.000 1.251 271 I HN -0.255 nan 8.210 nan 0.000 0.426 272 S N 3.335 119.076 115.700 0.067 0.000 2.348 272 S HA -0.084 4.386 4.470 0.000 0.000 0.221 272 S C 0.876 175.520 174.600 0.073 0.000 1.033 272 S CA 1.283 59.520 58.200 0.061 0.000 1.010 272 S CB -0.120 63.117 63.200 0.061 0.000 0.891 272 S HN 0.813 nan 8.310 nan 0.000 0.442 273 S N -0.946 114.839 115.700 0.142 0.000 2.537 273 S HA 0.703 5.173 4.470 0.000 0.000 0.270 273 S C -1.950 172.750 174.600 0.166 0.000 1.142 273 S CA -0.262 58.036 58.200 0.163 0.000 0.870 273 S CB 1.772 65.078 63.200 0.177 0.000 1.112 273 S HN 0.517 nan 8.310 nan 0.000 0.466 274 A N 3.250 126.103 122.820 0.055 0.000 2.488 274 A HA 0.820 5.140 4.320 0.000 0.000 0.295 274 A C -1.102 176.416 177.584 -0.110 0.000 1.045 274 A CA -0.816 51.149 52.037 -0.120 0.000 0.703 274 A CB 1.175 20.124 19.000 -0.084 0.000 1.271 274 A HN 0.996 nan 8.150 nan 0.000 0.400 275 K N 0.508 120.758 120.400 -0.251 0.000 2.578 275 K HA 0.790 5.110 4.320 0.000 0.000 0.287 275 K C -1.873 174.647 176.600 -0.133 0.000 1.010 275 K CA -0.913 55.312 56.287 -0.103 0.000 0.889 275 K CB 1.502 34.003 32.500 0.003 0.000 1.514 275 K HN 0.778 nan 8.250 nan 0.000 0.424 276 L N 1.733 122.982 121.223 0.043 0.000 2.345 276 L HA 0.417 4.758 4.340 0.000 0.000 0.274 276 L C -1.533 175.376 176.870 0.065 0.000 0.999 276 L CA -0.162 54.751 54.840 0.121 0.000 0.849 276 L CB 1.263 43.465 42.059 0.238 0.000 1.220 276 L HN 0.582 nan 8.230 nan 0.000 0.422 277 D N 5.311 125.749 120.400 0.064 0.000 2.339 277 D HA 0.195 4.835 4.640 0.000 0.000 0.256 277 D C -0.336 175.837 176.300 -0.211 0.000 1.214 277 D CA 0.176 54.154 54.000 -0.038 0.000 0.877 277 D CB 0.924 41.830 40.800 0.176 0.000 1.111 277 D HN 0.482 nan 8.370 nan 0.000 0.478 278 K N 2.247 122.429 120.400 -0.363 0.000 2.156 278 K HA 0.556 4.876 4.320 0.000 0.000 0.271 278 K C -0.422 175.795 176.600 -0.638 0.000 0.995 278 K CA -0.481 55.620 56.287 -0.310 0.000 0.890 278 K CB 1.385 33.824 32.500 -0.101 0.000 1.073 278 K HN 0.228 nan 8.250 nan 0.000 0.454 279 F N -0.996 118.998 119.950 0.073 0.000 2.650 279 F HA 0.168 4.695 4.527 0.000 0.000 0.320 279 F C 1.650 177.483 175.800 0.054 0.000 1.091 279 F CA -0.981 57.053 58.000 0.056 0.000 0.962 279 F CB 1.645 40.653 39.000 0.013 0.000 1.363 279 F HN 0.616 nan 8.300 nan 0.000 0.482 280 T N -3.628 111.080 114.554 0.257 0.000 2.995 280 T HA -0.102 4.248 4.350 0.000 0.000 0.269 280 T C 0.595 175.367 174.700 0.120 0.000 1.091 280 T CA 1.353 63.548 62.100 0.158 0.000 1.128 280 T CB -0.372 68.581 68.868 0.141 0.000 0.891 280 T HN 0.605 nan 8.240 nan 0.000 0.492 281 D N 0.436 120.912 120.400 0.125 0.000 2.501 281 D HA 0.461 5.101 4.640 0.000 0.000 0.226 281 D C 0.966 177.312 176.300 0.076 0.000 1.198 281 D CA -0.013 54.030 54.000 0.072 0.000 0.830 281 D CB 0.086 40.903 40.800 0.027 0.000 1.014 281 D HN 0.614 nan 8.370 nan 0.000 0.496 282 G N -1.471 107.406 108.800 0.128 0.000 2.260 282 G HA2 0.455 4.415 3.960 0.000 0.000 0.250 282 G HA3 0.455 4.415 3.960 0.000 0.000 0.250 282 G C -0.531 174.511 174.900 0.236 0.000 1.340 282 G CA -0.201 44.975 45.100 0.126 0.000 1.056 282 G HN 0.846 nan 8.290 nan 0.000 0.471 283 G N -1.676 107.269 108.800 0.241 0.000 2.451 283 G HA2 0.682 4.642 3.960 0.000 0.000 0.292 283 G HA3 0.682 4.642 3.960 0.000 0.000 0.292 283 G C -2.291 172.784 174.900 0.292 0.000 1.427 283 G CA 0.187 45.496 45.100 0.348 0.000 0.792 283 G HN 1.773 nan 8.290 nan 0.000 0.498 284 L N 0.206 121.608 121.223 0.298 0.000 2.409 284 L HA 0.817 5.157 4.340 0.000 0.000 0.272 284 L C -1.416 175.530 176.870 0.128 0.000 0.980 284 L CA -0.891 54.054 54.840 0.175 0.000 0.826 284 L CB 1.686 43.785 42.059 0.068 0.000 1.268 284 L HN 0.595 nan 8.230 nan 0.000 0.407 285 F N 4.255 124.186 119.950 -0.032 0.000 2.404 285 F HA 0.729 5.256 4.527 0.000 0.000 0.345 285 F C -0.122 175.647 175.800 -0.051 0.000 1.110 285 F CA 0.040 58.050 58.000 0.017 0.000 1.130 285 F CB 1.260 40.336 39.000 0.127 0.000 1.129 285 F HN 0.637 nan 8.300 nan 0.000 0.500 286 T N 5.668 119.762 114.554 -0.767 0.000 2.886 286 T HA 0.607 4.957 4.350 0.000 0.000 0.292 286 T C -1.311 172.754 174.700 -1.058 0.000 1.012 286 T CA -0.791 60.859 62.100 -0.750 0.000 0.982 286 T CB 1.647 70.217 68.868 -0.496 0.000 1.018 286 T HN 0.822 nan 8.240 nan 0.000 0.451 287 L N 3.052 123.714 121.223 -0.934 0.000 2.409 287 L HA 0.811 5.152 4.340 0.000 0.000 0.272 287 L C -1.949 174.529 176.870 -0.654 0.000 0.980 287 L CA -1.048 53.418 54.840 -0.622 0.000 0.826 287 L CB 1.225 43.163 42.059 -0.203 0.000 1.268 287 L HN 0.750 nan 8.230 nan 0.000 0.407 288 F N 4.068 123.989 119.950 -0.049 0.000 2.520 288 F HA 0.638 5.165 4.527 0.000 0.000 0.322 288 F C -0.337 175.459 175.800 -0.007 0.000 1.103 288 F CA -0.984 57.001 58.000 -0.025 0.000 0.926 288 F CB 2.090 41.065 39.000 -0.042 0.000 1.154 288 F HN -0.010 nan 8.300 nan 0.000 0.453 289 V N 3.488 123.514 119.914 0.186 0.000 2.350 289 V HA 0.538 4.658 4.120 0.000 0.000 0.285 289 V C -0.444 175.712 176.094 0.103 0.000 1.014 289 V CA -0.741 61.630 62.300 0.118 0.000 0.831 289 V CB 1.492 33.373 31.823 0.097 0.000 1.000 289 V HN 0.782 nan 8.190 nan 0.000 0.433 290 R N 3.222 123.767 120.500 0.075 0.000 2.561 290 R HA 0.724 5.064 4.340 0.000 0.000 0.297 290 R C -1.791 174.532 176.300 0.039 0.000 0.969 290 R CA -0.356 55.773 56.100 0.048 0.000 0.879 290 R CB 2.072 32.384 30.300 0.020 0.000 1.178 290 R HN 0.833 nan 8.270 nan 0.000 0.445 291 D N 1.288 121.713 120.400 0.041 0.000 2.648 291 D HA 0.079 4.719 4.640 0.000 0.000 0.244 291 D C 0.260 176.583 176.300 0.038 0.000 1.244 291 D CA -0.451 53.570 54.000 0.035 0.000 0.772 291 D CB 1.883 42.703 40.800 0.033 0.000 1.379 291 D HN 0.551 nan 8.370 nan 0.000 0.428 292 Q N 0.169 119.987 119.800 0.030 0.000 2.077 292 Q HA -0.050 4.290 4.340 0.000 0.000 0.206 292 Q C 0.130 176.146 176.000 0.028 0.000 0.989 292 Q CA 1.420 57.239 55.803 0.027 0.000 0.853 292 Q CB -0.152 28.596 28.738 0.017 0.000 0.907 292 Q HN 0.534 nan 8.270 nan 0.000 0.418 293 D N -0.871 119.546 120.400 0.027 0.000 2.256 293 D HA 0.080 4.720 4.640 0.000 0.000 0.246 293 D C 0.409 176.730 176.300 0.034 0.000 1.042 293 D CA -0.005 54.011 54.000 0.027 0.000 0.841 293 D CB 1.622 42.435 40.800 0.022 0.000 1.223 293 D HN 0.033 nan 8.370 nan 0.000 0.470 294 S N 2.039 117.761 115.700 0.036 0.000 2.402 294 S HA -0.225 4.245 4.470 0.000 0.000 0.233 294 S C 2.034 176.660 174.600 0.043 0.000 1.030 294 S CA 0.997 59.222 58.200 0.042 0.000 1.003 294 S CB -0.622 62.602 63.200 0.040 0.000 0.813 294 S HN 0.660 nan 8.310 nan 0.000 0.477 295 A N 1.652 124.495 122.820 0.037 0.000 1.883 295 A HA 0.015 4.335 4.320 0.000 0.000 0.217 295 A C 2.446 180.051 177.584 0.036 0.000 1.186 295 A CA 1.786 53.844 52.037 0.036 0.000 0.624 295 A CB -1.171 17.847 19.000 0.030 0.000 0.822 295 A HN 0.454 nan 8.150 nan 0.000 0.444 296 V N -0.422 119.512 119.914 0.034 0.000 2.343 296 V HA -0.223 3.897 4.120 0.000 0.000 0.247 296 V C 2.582 178.700 176.094 0.040 0.000 1.051 296 V CA 1.910 64.229 62.300 0.032 0.000 1.036 296 V CB -0.764 31.076 31.823 0.028 0.000 0.654 296 V HN 0.375 nan 8.190 nan 0.000 0.451 297 V N -0.029 119.913 119.914 0.048 0.000 2.287 297 V HA -0.269 3.851 4.120 0.000 0.000 0.248 297 V C 2.582 178.718 176.094 0.069 0.000 1.053 297 V CA 2.437 64.774 62.300 0.061 0.000 1.027 297 V CB -0.804 31.059 31.823 0.066 0.000 0.646 297 V HN 0.566 nan 8.190 nan 0.000 0.447 298 S N 0.029 115.768 115.700 0.066 0.000 2.353 298 S HA -0.235 4.235 4.470 0.000 0.000 0.222 298 S C 2.231 176.863 174.600 0.053 0.000 1.035 298 S CA 1.879 60.119 58.200 0.067 0.000 1.025 298 S CB -0.442 62.794 63.200 0.061 0.000 0.902 298 S HN 0.598 nan 8.310 nan 0.000 0.440 299 S N 2.125 117.851 115.700 0.043 0.000 2.359 299 S HA -0.150 4.320 4.470 0.000 0.000 0.223 299 S C 1.820 176.440 174.600 0.033 0.000 1.039 299 S CA 1.465 59.686 58.200 0.034 0.000 1.042 299 S CB -0.657 62.560 63.200 0.029 0.000 0.915 299 S HN 0.459 nan 8.310 nan 0.000 0.439 300 N N 1.306 120.028 118.700 0.037 0.000 2.058 300 N HA -0.041 4.699 4.740 0.000 0.000 0.191 300 N C 1.609 177.142 175.510 0.039 0.000 1.037 300 N CA 0.864 53.935 53.050 0.036 0.000 0.848 300 N CB -0.651 37.859 38.487 0.039 0.000 1.021 300 N HN 0.251 nan 8.380 nan 0.000 0.422 301 I N 1.287 121.890 120.570 0.056 0.000 2.335 301 I HA -0.232 3.938 4.170 0.000 0.000 0.251 301 I C 1.749 177.880 176.117 0.023 0.000 1.129 301 I CA 1.463 62.798 61.300 0.059 0.000 1.402 301 I CB -0.057 38.017 38.000 0.123 0.000 1.069 301 I HN 0.089 nan 8.210 nan 0.000 0.424 302 K N -0.161 120.253 120.400 0.024 0.000 2.031 302 K HA -0.207 4.113 4.320 0.000 0.000 0.205 302 K C 2.157 178.764 176.600 0.012 0.000 1.049 302 K CA 1.345 57.641 56.287 0.014 0.000 0.939 302 K CB -0.189 32.324 32.500 0.021 0.000 0.717 302 K HN 0.038 nan 8.250 nan 0.000 0.438 303 K N 1.339 121.749 120.400 0.017 0.000 2.147 303 K HA -0.090 4.230 4.320 0.000 0.000 0.205 303 K C 1.754 178.362 176.600 0.014 0.000 1.049 303 K CA 1.112 57.409 56.287 0.016 0.000 0.936 303 K CB -0.090 32.420 32.500 0.017 0.000 0.722 303 K HN -0.003 nan 8.250 nan 0.000 0.446 304 I N 0.251 120.827 120.570 0.011 0.000 2.202 304 I HA -0.187 3.983 4.170 0.000 0.000 0.242 304 I C 2.192 178.303 176.117 -0.010 0.000 1.091 304 I CA 0.866 62.171 61.300 0.008 0.000 1.368 304 I CB -1.095 36.910 38.000 0.008 0.000 1.058 304 I HN -0.039 nan 8.210 nan 0.000 0.410 305 V N 1.555 121.448 119.914 -0.036 0.000 2.295 305 V HA -0.264 3.856 4.120 0.000 0.000 0.246 305 V C 2.886 178.972 176.094 -0.013 0.000 1.049 305 V CA 1.929 64.190 62.300 -0.064 0.000 1.024 305 V CB -1.173 30.616 31.823 -0.057 0.000 0.648 305 V HN 0.456 nan 8.190 nan 0.000 0.447 306 A N 0.032 122.855 122.820 0.005 0.000 1.908 306 A HA -0.287 4.033 4.320 0.000 0.000 0.218 306 A C 1.906 179.499 177.584 0.014 0.000 1.181 306 A CA 2.337 54.382 52.037 0.013 0.000 0.627 306 A CB -0.734 18.275 19.000 0.015 0.000 0.818 306 A HN 0.562 nan 8.150 nan 0.000 0.445 307 D N -0.565 119.847 120.400 0.020 0.000 2.269 307 D HA 0.001 4.641 4.640 0.000 0.000 0.208 307 D C 1.701 178.027 176.300 0.044 0.000 0.963 307 D CA 0.647 54.666 54.000 0.032 0.000 0.864 307 D CB -0.060 40.764 40.800 0.041 0.000 0.936 307 D HN 0.468 nan 8.370 nan 0.000 0.505 308 L N -0.337 120.910 121.223 0.041 0.000 2.354 308 L HA 0.096 4.436 4.340 0.000 0.000 0.212 308 L C 2.124 178.995 176.870 0.002 0.000 1.091 308 L CA 0.440 55.321 54.840 0.068 0.000 0.828 308 L CB 0.045 42.161 42.059 0.094 0.000 0.973 308 L HN -0.134 nan 8.230 nan 0.000 0.461 309 K N 0.688 121.083 120.400 -0.008 0.000 2.148 309 K HA -0.144 4.176 4.320 0.000 0.000 0.204 309 K C 1.508 178.089 176.600 -0.033 0.000 1.050 309 K CA 0.930 57.205 56.287 -0.020 0.000 0.942 309 K CB 0.182 32.691 32.500 0.014 0.000 0.724 309 K HN -0.033 nan 8.250 nan 0.000 0.446 310 K N 1.035 121.426 120.400 -0.015 0.000 3.041 310 K HA 0.069 4.389 4.320 0.000 0.000 0.243 310 K C -0.384 176.205 176.600 -0.018 0.000 1.167 310 K CA -0.259 56.019 56.287 -0.015 0.000 1.235 310 K CB -0.193 32.307 32.500 -0.001 0.000 1.205 310 K HN 0.164 nan 8.250 nan 0.000 0.448 311 G N 2.787 111.559 108.800 -0.047 0.000 2.472 311 G HA2 -0.198 3.762 3.960 0.000 0.000 0.232 311 G HA3 -0.198 3.762 3.960 0.000 0.000 0.232 311 G C -0.497 174.392 174.900 -0.018 0.000 1.029 311 G CA 0.323 45.393 45.100 -0.050 0.000 0.882 311 G HN 0.489 nan 8.290 nan 0.000 0.455 312 K N 1.217 121.626 120.400 0.016 0.000 2.589 312 K HA 0.395 4.715 4.320 0.000 0.000 0.265 312 K C -1.136 175.412 176.600 -0.087 0.000 0.935 312 K CA -0.574 55.702 56.287 -0.019 0.000 0.850 312 K CB 1.677 34.176 32.500 -0.003 0.000 1.372 312 K HN 0.506 nan 8.250 nan 0.000 0.420 313 D N 1.744 122.057 120.400 -0.144 0.000 2.430 313 D HA 0.182 4.822 4.640 0.000 0.000 0.101 313 D C 0.597 176.768 176.300 -0.216 0.000 1.480 313 D CA 0.981 54.795 54.000 -0.310 0.000 1.375 313 D CB 0.254 40.894 40.800 -0.266 0.000 2.356 313 D HN 0.583 nan 8.370 nan 0.000 0.215 314 L N 1.209 122.356 121.223 -0.126 0.000 4.696 314 L HA -0.291 4.049 4.340 0.000 0.000 0.425 314 L C 0.349 177.179 176.870 -0.067 0.000 1.115 314 L CA 0.738 55.533 54.840 -0.074 0.000 0.996 314 L CB -2.540 39.488 42.059 -0.051 0.000 2.077 314 L HN 0.440 nan 8.230 nan 0.000 0.792 315 S N -3.691 111.949 115.700 -0.100 0.000 3.581 315 S HA -0.150 4.320 4.470 0.000 0.000 0.354 315 S C -0.857 173.730 174.600 -0.023 0.000 1.059 315 S CA 0.687 58.850 58.200 -0.062 0.000 1.060 315 S CB -1.750 61.438 63.200 -0.020 0.000 0.908 315 S HN 0.487 nan 8.310 nan 0.000 0.475 316 P HA 0.326 nan 4.420 nan 0.000 0.237 316 P C 0.767 178.096 177.300 0.048 0.000 1.178 316 P CA 1.234 64.347 63.100 0.021 0.000 0.766 316 P CB -0.039 31.683 31.700 0.038 0.000 0.876 317 A N -1.244 121.617 122.820 0.068 0.000 2.965 317 A HA 0.281 4.601 4.320 0.000 0.000 0.304 317 A C 1.177 178.809 177.584 0.080 0.000 1.214 317 A CA -0.157 51.953 52.037 0.121 0.000 0.977 317 A CB -0.981 18.159 19.000 0.232 0.000 1.127 317 A HN 0.028 nan 8.150 nan 0.000 0.572 318 I N -0.360 120.231 120.570 0.035 0.000 2.731 318 I HA -0.030 4.140 4.170 0.000 0.000 0.260 318 I C 1.738 177.826 176.117 -0.048 0.000 1.138 318 I CA 1.060 62.354 61.300 -0.009 0.000 1.461 318 I CB 0.037 38.051 38.000 0.023 0.000 1.128 318 I HN 0.418 nan 8.210 nan 0.000 0.438 319 N N -0.602 118.103 118.700 0.008 0.000 2.270 319 N HA -0.204 4.536 4.740 0.000 0.000 0.181 319 N C 1.854 177.371 175.510 0.012 0.000 1.016 319 N CA 1.172 54.224 53.050 0.004 0.000 0.870 319 N CB -0.292 38.214 38.487 0.032 0.000 0.979 319 N HN 0.424 nan 8.380 nan 0.000 0.431 320 Y N 1.832 122.084 120.300 -0.080 0.000 2.109 320 Y HA -0.204 4.347 4.550 0.000 0.000 0.285 320 Y C 2.838 178.661 175.900 -0.129 0.000 1.131 320 Y CA 1.753 59.807 58.100 -0.077 0.000 1.121 320 Y CB -0.545 37.888 38.460 -0.044 0.000 0.987 320 Y HN -0.072 nan 8.280 nan 0.000 0.495 321 T N -0.149 114.310 114.554 -0.158 0.000 2.977 321 T HA -0.211 4.139 4.350 0.000 0.000 0.271 321 T C 1.821 176.176 174.700 -0.574 0.000 1.105 321 T CA 1.737 63.618 62.100 -0.364 0.000 1.116 321 T CB -0.388 68.294 68.868 -0.309 0.000 0.878 321 T HN 0.380 nan 8.240 nan 0.000 0.509 322 K N -0.214 119.894 120.400 -0.486 0.000 2.167 322 K HA 0.161 4.481 4.320 0.000 0.000 0.203 322 K C 2.177 178.639 176.600 -0.230 0.000 1.052 322 K CA 0.578 56.613 56.287 -0.419 0.000 0.956 322 K CB -0.160 32.212 32.500 -0.214 0.000 0.735 322 K HN 0.347 nan 8.250 nan 0.000 0.451 323 L N 0.541 121.630 121.223 -0.223 0.000 2.068 323 L HA -0.127 4.213 4.340 0.000 0.000 0.204 323 L C 1.844 178.590 176.870 -0.207 0.000 1.076 323 L CA 1.378 56.112 54.840 -0.176 0.000 0.753 323 L CB -0.123 41.835 42.059 -0.169 0.000 0.910 323 L HN 0.037 nan 8.230 nan 0.000 0.439 324 K N 0.279 120.483 120.400 -0.326 0.000 2.147 324 K HA -0.192 4.129 4.320 0.000 0.000 0.205 324 K C 1.868 178.374 176.600 -0.155 0.000 1.049 324 K CA 1.261 57.379 56.287 -0.282 0.000 0.936 324 K CB -0.366 31.894 32.500 -0.400 0.000 0.722 324 K HN 0.326 nan 8.250 nan 0.000 0.446 325 N N -0.311 118.304 118.700 -0.143 0.000 2.331 325 N HA -0.088 4.652 4.740 0.000 0.000 0.180 325 N C 1.363 176.879 175.510 0.011 0.000 1.019 325 N CA 1.047 54.087 53.050 -0.016 0.000 0.881 325 N CB 0.150 38.688 38.487 0.085 0.000 0.972 325 N HN 0.185 nan 8.380 nan 0.000 0.435 326 A N 0.775 123.581 122.820 -0.024 0.000 1.970 326 A HA -0.001 4.319 4.320 0.000 0.000 0.216 326 A C 1.725 179.298 177.584 -0.019 0.000 1.170 326 A CA 0.811 52.843 52.037 -0.007 0.000 0.645 326 A CB -0.501 18.491 19.000 -0.014 0.000 0.816 326 A HN 0.219 nan 8.150 nan 0.000 0.447 327 V N -2.029 117.859 119.914 -0.043 0.000 3.387 327 V HA 0.181 4.301 4.120 0.000 0.000 0.353 327 V C -0.016 176.062 176.094 -0.027 0.000 1.193 327 V CA 0.309 62.585 62.300 -0.039 0.000 1.379 327 V CB -1.500 30.289 31.823 -0.057 0.000 1.157 327 V HN 0.513 nan 8.190 nan 0.000 0.431 328 Q N 1.031 120.823 119.800 -0.013 0.000 3.394 328 Q HA 0.374 4.714 4.340 0.000 0.000 0.285 328 Q C -0.758 175.243 176.000 0.002 0.000 0.866 328 Q CA -0.112 55.688 55.803 -0.004 0.000 0.844 328 Q CB 0.678 29.419 28.738 0.005 0.000 1.472 328 Q HN 0.589 nan 8.270 nan 0.000 0.401 329 N N 2.126 120.823 118.700 -0.005 0.000 3.229 329 N HA 0.035 4.775 4.740 0.000 0.000 0.275 329 N C 0.068 175.572 175.510 -0.009 0.000 1.225 329 N CA 0.257 53.304 53.050 -0.004 0.000 1.119 329 N CB 0.812 39.295 38.487 -0.008 0.000 1.392 329 N HN 0.534 nan 8.380 nan 0.000 0.520 330 E N -1.931 118.265 120.200 -0.007 0.000 2.652 330 E HA 0.031 4.381 4.350 0.000 0.000 0.197 330 E C 0.177 176.769 176.600 -0.013 0.000 0.936 330 E CA -0.187 56.205 56.400 -0.014 0.000 1.638 330 E CB -0.127 29.563 29.700 -0.017 0.000 1.884 330 E HN 0.039 nan 8.360 nan 0.000 1.005 331 S N 1.712 117.410 115.700 -0.003 0.000 2.423 331 S HA 0.171 4.641 4.470 0.000 0.000 0.302 331 S C 0.728 175.335 174.600 0.011 0.000 1.143 331 S CA -0.392 57.809 58.200 0.002 0.000 1.080 331 S CB 0.216 63.430 63.200 0.023 0.000 1.081 331 S HN 0.200 nan 8.310 nan 0.000 0.522 332 V N 4.643 124.559 119.914 0.003 0.000 3.593 332 V HA 0.075 4.195 4.120 0.000 0.000 0.275 332 V C 0.939 177.052 176.094 0.031 0.000 1.237 332 V CA 0.748 63.056 62.300 0.014 0.000 1.194 332 V CB -1.368 30.460 31.823 0.009 0.000 0.949 332 V HN 0.965 nan 8.190 nan 0.000 0.467 333 S N -1.516 114.210 115.700 0.044 0.000 2.640 333 S HA 0.179 4.649 4.470 0.000 0.000 0.163 333 S C -0.076 174.572 174.600 0.079 0.000 0.936 333 S CA -0.228 58.012 58.200 0.067 0.000 1.081 333 S CB -0.145 63.111 63.200 0.092 0.000 1.720 333 S HN 0.418 nan 8.310 nan 0.000 0.488 334 S N 1.312 117.048 115.700 0.060 0.000 2.601 334 S HA 0.718 5.188 4.470 0.000 0.000 0.271 334 S C -1.693 172.938 174.600 0.052 0.000 1.305 334 S CA -0.798 57.438 58.200 0.060 0.000 1.022 334 S CB -0.502 62.727 63.200 0.049 0.000 0.940 334 S HN 0.373 nan 8.310 nan 0.000 0.525 335 P HA 0.097 nan 4.420 nan 0.000 0.282 335 P C -0.499 176.798 177.300 -0.005 0.000 1.294 335 P CA -0.362 62.755 63.100 0.027 0.000 0.852 335 P CB -0.020 31.695 31.700 0.025 0.000 1.287 336 I N 0.045 120.590 120.570 -0.041 0.000 2.662 336 I HA -0.016 4.154 4.170 0.000 0.000 0.285 336 I C 1.647 177.650 176.117 -0.189 0.000 1.161 336 I CA 0.825 62.067 61.300 -0.096 0.000 1.415 336 I CB -0.344 37.589 38.000 -0.112 0.000 1.385 336 I HN 0.392 nan 8.210 nan 0.000 0.552 337 E N 5.286 125.402 120.200 -0.141 0.000 2.033 337 E HA -0.002 4.348 4.350 0.000 0.000 0.194 337 E C 1.479 177.942 176.600 -0.229 0.000 0.960 337 E CA 0.196 56.520 56.400 -0.126 0.000 0.842 337 E CB 0.105 29.811 29.700 0.010 0.000 0.816 337 E HN 0.476 nan 8.360 nan 0.000 0.468 338 L N 2.237 123.407 121.223 -0.088 0.000 2.651 338 L HA -0.096 4.245 4.340 0.000 0.000 0.236 338 L C 1.465 178.273 176.870 -0.105 0.000 1.173 338 L CA 1.217 56.035 54.840 -0.037 0.000 0.843 338 L CB -1.759 40.300 42.059 0.001 0.000 0.964 338 L HN 0.314 nan 8.230 nan 0.000 0.454 339 N N -0.709 117.821 118.700 -0.283 0.000 2.571 339 N HA -0.095 4.645 4.740 0.000 0.000 0.189 339 N C 1.669 177.054 175.510 -0.208 0.000 1.154 339 N CA 0.217 53.118 53.050 -0.249 0.000 0.907 339 N CB 0.066 38.380 38.487 -0.288 0.000 0.977 339 N HN 0.278 nan 8.380 nan 0.000 0.449 340 F N 0.822 120.787 119.950 0.025 0.000 2.163 340 F HA -0.081 4.446 4.527 0.000 0.000 0.297 340 F C 1.944 177.754 175.800 0.017 0.000 1.094 340 F CA 0.417 58.431 58.000 0.022 0.000 1.290 340 F CB 0.003 39.015 39.000 0.021 0.000 1.017 340 F HN 0.057 nan 8.300 nan 0.000 0.483 341 D N 0.881 121.394 120.400 0.188 0.000 2.354 341 D HA -0.094 4.546 4.640 0.000 0.000 0.216 341 D C 1.425 177.769 176.300 0.073 0.000 0.970 341 D CA 0.839 54.906 54.000 0.111 0.000 0.905 341 D CB -0.242 40.606 40.800 0.081 0.000 0.903 341 D HN 0.271 nan 8.370 nan 0.000 0.508 342 A N 1.024 123.883 122.820 0.064 0.000 3.037 342 A HA 0.317 4.637 4.320 0.000 0.000 0.192 342 A C 0.670 178.282 177.584 0.046 0.000 2.048 342 A CA -0.139 51.923 52.037 0.042 0.000 0.928 342 A CB -0.583 18.432 19.000 0.025 0.000 1.895 342 A HN 0.075 nan 8.150 nan 0.000 0.777 343 V N -1.694 118.242 119.914 0.038 0.000 3.015 343 V HA -0.122 3.998 4.120 0.000 0.000 0.268 343 V C 0.593 176.704 176.094 0.028 0.000 1.603 343 V CA 1.828 64.147 62.300 0.033 0.000 1.542 343 V CB -1.026 30.820 31.823 0.039 0.000 0.867 343 V HN 1.093 nan 8.190 nan 0.000 0.507 344 K N 0.516 120.922 120.400 0.009 0.000 2.544 344 K HA 0.340 4.661 4.320 0.000 0.000 0.213 344 K C 0.318 176.899 176.600 -0.032 0.000 1.392 344 K CA 0.019 56.299 56.287 -0.012 0.000 0.980 344 K CB 0.455 32.948 32.500 -0.012 0.000 1.177 344 K HN 0.684 nan 8.250 nan 0.000 0.570 345 D N 0.202 120.593 120.400 -0.015 0.000 2.340 345 D HA 0.424 5.064 4.640 0.000 0.000 0.251 345 D C -1.541 174.783 176.300 0.040 0.000 1.080 345 D CA -0.416 53.575 54.000 -0.015 0.000 0.971 345 D CB 0.902 41.686 40.800 -0.028 0.000 1.137 345 D HN 0.112 nan 8.370 nan 0.000 0.475 346 F N 1.197 121.049 119.950 -0.163 0.000 2.635 346 F HA 0.326 4.853 4.527 0.000 0.000 0.314 346 F C -1.744 173.961 175.800 -0.159 0.000 1.119 346 F CA -0.825 57.056 58.000 -0.198 0.000 1.000 346 F CB 1.226 40.048 39.000 -0.297 0.000 1.278 346 F HN 0.213 nan 8.300 nan 0.000 0.446 347 K N 6.596 126.341 120.400 -1.090 0.000 2.482 347 K HA 0.418 4.738 4.320 0.000 0.000 0.251 347 K C -2.099 173.911 176.600 -0.984 0.000 0.936 347 K CA -0.846 54.977 56.287 -0.775 0.000 0.791 347 K CB 1.985 34.273 32.500 -0.354 0.000 1.213 347 K HN 0.774 nan 8.250 nan 0.000 0.428 348 L N 4.108 124.966 121.223 -0.609 0.000 2.565 348 L HA 0.261 4.601 4.340 0.000 0.000 0.275 348 L C 0.657 177.462 176.870 -0.108 0.000 1.137 348 L CA 0.783 55.446 54.840 -0.295 0.000 0.915 348 L CB 0.187 42.203 42.059 -0.072 0.000 1.232 348 L HN 0.919 nan 8.230 nan 0.000 0.473 349 G N 4.648 113.408 108.800 -0.067 0.000 3.152 349 G HA2 0.136 4.096 3.960 0.000 0.000 0.157 349 G HA3 0.136 4.096 3.960 0.000 0.000 0.157 349 G C -0.228 174.766 174.900 0.157 0.000 1.786 349 G CA -0.517 44.595 45.100 0.020 0.000 1.055 349 G HN 0.559 nan 8.290 nan 0.000 0.528 350 K N -0.119 120.356 120.400 0.126 0.000 2.154 350 K HA 0.518 4.838 4.320 0.000 0.000 0.264 350 K C -0.854 175.887 176.600 0.235 0.000 1.008 350 K CA -0.067 56.284 56.287 0.107 0.000 0.937 350 K CB 1.017 33.536 32.500 0.033 0.000 1.002 350 K HN 0.443 nan 8.250 nan 0.000 0.469 351 F N -1.682 118.300 119.950 0.053 0.000 2.831 351 F HA 0.468 4.995 4.527 0.000 0.000 0.318 351 F C -1.162 174.683 175.800 0.074 0.000 1.174 351 F CA -1.390 56.649 58.000 0.065 0.000 0.918 351 F CB 1.014 40.069 39.000 0.092 0.000 1.364 351 F HN 0.218 nan 8.300 nan 0.000 0.475 352 N N 0.322 119.188 118.700 0.276 0.000 2.361 352 N HA 0.372 5.112 4.740 0.000 0.000 0.302 352 N C -2.159 173.574 175.510 0.372 0.000 1.074 352 N CA -0.395 52.756 53.050 0.167 0.000 0.850 352 N CB 2.372 40.901 38.487 0.071 0.000 1.228 352 N HN 0.823 nan 8.380 nan 0.000 0.491 353 Y N 0.762 121.136 120.300 0.123 0.000 2.477 353 Y HA 0.545 5.095 4.550 0.000 0.000 0.347 353 Y C -1.027 174.917 175.900 0.075 0.000 0.981 353 Y CA -0.844 57.350 58.100 0.158 0.000 1.033 353 Y CB 1.205 39.804 38.460 0.232 0.000 1.245 353 Y HN 0.289 nan 8.280 nan 0.000 0.455 354 V N 1.879 121.428 119.914 -0.609 0.000 2.789 354 V HA 1.011 5.131 4.120 0.000 0.000 0.311 354 V C -1.083 174.537 176.094 -0.791 0.000 1.073 354 V CA -0.676 61.301 62.300 -0.540 0.000 0.921 354 V CB 1.259 32.955 31.823 -0.212 0.000 1.009 354 V HN 1.203 nan 8.190 nan 0.000 0.426 355 A N 3.713 126.231 122.820 -0.504 0.000 2.311 355 A HA 0.877 5.197 4.320 0.000 0.000 0.306 355 A C -0.776 176.711 177.584 -0.161 0.000 1.189 355 A CA -0.624 51.217 52.037 -0.327 0.000 0.791 355 A CB 1.457 20.316 19.000 -0.234 0.000 1.172 355 A HN 1.318 nan 8.150 nan 0.000 0.481 356 V N 2.543 122.391 119.914 -0.110 0.000 2.540 356 V HA 0.860 4.980 4.120 0.000 0.000 0.302 356 V C 0.855 176.962 176.094 0.022 0.000 1.035 356 V CA 0.753 63.013 62.300 -0.068 0.000 0.873 356 V CB 0.815 32.549 31.823 -0.149 0.000 0.992 356 V HN 2.037 nan 8.190 nan 0.000 0.428 357 G N 4.373 113.247 108.800 0.123 0.000 2.541 357 G HA2 -0.163 3.798 3.960 0.000 0.000 0.208 357 G HA3 -0.163 3.798 3.960 0.000 0.000 0.208 357 G C -0.179 174.785 174.900 0.106 0.000 1.191 357 G CA 0.062 45.283 45.100 0.201 0.000 1.217 357 G HN 0.671 nan 8.290 nan 0.000 0.566 358 D N 1.681 122.123 120.400 0.069 0.000 2.885 358 D HA 0.383 5.023 4.640 0.000 0.000 0.234 358 D C 2.072 178.386 176.300 0.023 0.000 1.129 358 D CA 0.608 54.632 54.000 0.040 0.000 0.991 358 D CB 0.082 40.903 40.800 0.035 0.000 1.137 358 D HN 0.307 nan 8.370 nan 0.000 0.459 359 V N 0.790 120.711 119.914 0.013 0.000 2.313 359 V HA -0.303 3.818 4.120 0.000 0.000 0.253 359 V C 2.409 178.483 176.094 -0.033 0.000 1.070 359 V CA 2.094 64.376 62.300 -0.030 0.000 1.057 359 V CB -0.526 31.283 31.823 -0.023 0.000 0.653 359 V HN 0.451 nan 8.190 nan 0.000 0.450 360 S N -0.523 115.191 115.700 0.023 0.000 2.537 360 S HA -0.078 4.392 4.470 0.000 0.000 0.240 360 S C 1.186 175.830 174.600 0.072 0.000 0.981 360 S CA 0.971 59.210 58.200 0.066 0.000 0.948 360 S CB -0.407 62.833 63.200 0.066 0.000 0.759 360 S HN 0.725 nan 8.310 nan 0.000 0.531 361 N N 0.683 119.408 118.700 0.042 0.000 2.377 361 N HA 0.238 4.978 4.740 0.000 0.000 0.259 361 N C -1.400 174.134 175.510 0.039 0.000 1.332 361 N CA -0.214 52.867 53.050 0.052 0.000 0.877 361 N CB 0.831 39.345 38.487 0.045 0.000 1.299 361 N HN 0.227 nan 8.380 nan 0.000 0.501 362 L N 1.174 122.397 121.223 -0.001 0.000 2.319 362 L HA 0.637 4.977 4.340 0.000 0.000 0.267 362 L C -2.156 174.699 176.870 -0.026 0.000 1.011 362 L CA -2.235 52.605 54.840 0.000 0.000 0.818 362 L CB 1.332 43.381 42.059 -0.016 0.000 1.316 362 L HN -0.136 nan 8.230 nan 0.000 0.432 363 P HA 0.190 nan 4.420 nan 0.000 0.271 363 P C -1.390 175.942 177.300 0.053 0.000 1.218 363 P CA 0.097 63.248 63.100 0.085 0.000 0.780 363 P CB 0.266 31.998 31.700 0.054 0.000 0.901 364 Y N 0.878 121.226 120.300 0.081 0.000 2.376 364 Y HA 0.159 4.709 4.550 0.000 0.000 0.325 364 Y C 1.546 177.415 175.900 -0.052 0.000 1.199 364 Y CA -0.598 57.564 58.100 0.103 0.000 1.206 364 Y CB 0.777 39.277 38.460 0.067 0.000 1.229 364 Y HN 0.225 nan 8.280 nan 0.000 0.480 365 L N 1.386 122.671 121.223 0.104 0.000 2.187 365 L HA -0.214 4.126 4.340 0.000 0.000 0.213 365 L C 1.810 178.657 176.870 -0.038 0.000 1.100 365 L CA 1.733 56.519 54.840 -0.090 0.000 0.765 365 L CB -0.748 41.315 42.059 0.007 0.000 0.904 365 L HN 0.824 nan 8.230 nan 0.000 0.437 366 D N 0.185 120.616 120.400 0.053 0.000 2.116 366 D HA -0.260 4.380 4.640 0.000 0.000 0.193 366 D C 1.456 177.765 176.300 0.016 0.000 0.998 366 D CA 1.744 55.760 54.000 0.027 0.000 0.836 366 D CB 0.106 40.925 40.800 0.032 0.000 0.951 366 D HN 0.790 nan 8.370 nan 0.000 0.449 367 E N -0.175 120.049 120.200 0.040 0.000 2.437 367 E HA 0.123 4.473 4.350 0.000 0.000 0.189 367 E C 0.796 177.403 176.600 0.012 0.000 1.054 367 E CA -0.202 56.216 56.400 0.030 0.000 0.874 367 E CB 0.218 29.953 29.700 0.058 0.000 1.011 367 E HN 0.286 nan 8.360 nan 0.000 0.474 368 L N 0.000 121.220 121.223 -0.005 0.000 2.949 368 L HA 0.000 4.340 4.340 0.000 0.000 0.249 368 L CA 0.000 54.853 54.840 0.021 0.000 0.813 368 L CB 0.000 42.063 42.059 0.007 0.000 0.961 368 L HN 0.000 nan 8.230 nan 0.000 0.502