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 3bv0_1_B DATA FIRST_RESID 6 DATA SEQUENCE GGLTPEQIIA VDGAHLWHPX XXXXXXXXSP VVAVAAHGAW LTLIRDGQPI DATA SEQUENCE EVLDAMSSWW TAIHGHGHPA LDQALTTQLR VMNHVMFGGL THEPAARLAK DATA SEQUENCE LLVDITPAGL DTVFFSDSGS VSVEVAAKMA LQYWRGRGLP GKRRLMTWRG DATA SEQUENCE GYHGDTFLAM SICDPHGGMH SLWTDVLAAQ VFAPQVPRDY DPAYSAAFEA DATA SEQUENCE QLAQHAGELA AVVVEPVVQG AGGMRFHDPR YLHDLRDICR RYEVLLIFDE DATA SEQUENCE IATGFGRTGA LFAADHAGVS PDIMCVGKAL TGGYLSLAAT LCTADVAHTI DATA SEQUENCE SAXXXXXXXX GPTFMANPLA CAVSVASVEL LLGQDWRTRI TELAAGLTAG DATA SEQUENCE LDTARALPAV TDVRVCGAIG VIECDRPVDL AVATPAALDR GVWLRPFRNL DATA SEQUENCE VYAMPPYICT PAEITQITSA MVEVARLVGS L 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 6 G HA2 0.000 nan 3.960 nan 0.000 0.244 6 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 6 G C 0.000 174.905 174.900 0.008 0.000 0.946 6 G CA 0.000 45.105 45.100 0.009 0.000 0.502 7 G N -0.303 108.501 108.800 0.006 0.000 2.515 7 G HA2 0.082 4.043 3.960 0.003 0.000 0.208 7 G HA3 0.082 4.043 3.960 0.003 0.000 0.208 7 G C -0.193 174.710 174.900 0.006 0.000 0.737 7 G CA 0.515 45.618 45.100 0.005 0.000 0.987 7 G HN 1.147 nan 8.290 nan 0.000 0.307 8 L N 1.540 122.765 121.223 0.005 0.000 2.341 8 L HA 0.649 4.991 4.340 0.003 0.000 0.267 8 L C 0.949 177.821 176.870 0.002 0.000 1.009 8 L CA -1.054 53.789 54.840 0.006 0.000 0.819 8 L CB 2.261 44.326 42.059 0.010 0.000 1.323 8 L HN 0.438 nan 8.230 nan 0.000 0.425 9 T N 1.841 116.396 114.554 0.002 0.000 2.910 9 T HA 0.145 4.497 4.350 0.003 0.000 0.293 9 T C -1.717 172.981 174.700 -0.003 0.000 1.015 9 T CA -1.031 61.068 62.100 -0.001 0.000 1.094 9 T CB 1.590 70.458 68.868 -0.001 0.000 0.968 9 T HN 0.382 nan 8.240 nan 0.000 0.521 10 P HA -0.105 nan 4.420 nan 0.000 0.216 10 P C 1.035 178.330 177.300 -0.008 0.000 1.150 10 P CA 1.195 64.289 63.100 -0.010 0.000 0.843 10 P CB 0.234 31.926 31.700 -0.013 0.000 0.787 11 E N -0.796 119.399 120.200 -0.007 0.000 2.107 11 E HA -0.165 4.187 4.350 0.003 0.000 0.191 11 E C 2.202 178.799 176.600 -0.005 0.000 0.982 11 E CA 0.922 57.318 56.400 -0.007 0.000 0.809 11 E CB -0.461 29.235 29.700 -0.007 0.000 0.756 11 E HN 0.372 nan 8.360 nan 0.000 0.459 12 Q N 0.212 120.012 119.800 -0.001 0.000 2.079 12 Q HA -0.125 4.217 4.340 0.003 0.000 0.200 12 Q C 2.240 178.245 176.000 0.009 0.000 0.974 12 Q CA 1.002 56.807 55.803 0.004 0.000 0.840 12 Q CB -0.077 28.666 28.738 0.008 0.000 0.898 12 Q HN 0.347 nan 8.270 nan 0.000 0.430 13 I N 0.683 121.257 120.570 0.008 0.000 2.208 13 I HA -0.278 3.893 4.170 0.003 0.000 0.245 13 I C 2.381 178.507 176.117 0.014 0.000 1.097 13 I CA 1.093 62.401 61.300 0.014 0.000 1.363 13 I CB -0.305 37.699 38.000 0.007 0.000 1.051 13 I HN 0.303 nan 8.210 nan 0.000 0.413 14 I N -0.328 120.243 120.570 0.001 0.000 2.617 14 I HA -0.020 4.152 4.170 0.003 0.000 0.256 14 I C 2.402 178.510 176.117 -0.016 0.000 1.167 14 I CA 1.426 62.723 61.300 -0.006 0.000 1.469 14 I CB -0.383 37.607 38.000 -0.017 0.000 1.098 14 I HN 0.014 nan 8.210 nan 0.000 0.436 15 A N 0.919 123.729 122.820 -0.017 0.000 1.873 15 A HA -0.047 4.275 4.320 0.003 0.000 0.215 15 A C 2.346 179.902 177.584 -0.047 0.000 1.186 15 A CA 1.991 54.009 52.037 -0.032 0.000 0.616 15 A CB -1.203 17.784 19.000 -0.021 0.000 0.823 15 A HN 0.332 nan 8.150 nan 0.000 0.442 16 V N 0.908 120.817 119.914 -0.008 0.000 2.295 16 V HA -0.260 3.862 4.120 0.003 0.000 0.246 16 V C 2.462 178.564 176.094 0.012 0.000 1.049 16 V CA 2.334 64.648 62.300 0.024 0.000 1.024 16 V CB -0.710 31.166 31.823 0.088 0.000 0.648 16 V HN 0.732 nan 8.190 nan 0.000 0.447 17 D N 0.555 120.977 120.400 0.035 0.000 2.104 17 D HA -0.169 4.473 4.640 0.003 0.000 0.194 17 D C 2.136 178.455 176.300 0.031 0.000 0.994 17 D CA 1.844 55.888 54.000 0.073 0.000 0.830 17 D CB -0.191 40.671 40.800 0.102 0.000 0.959 17 D HN 0.437 nan 8.370 nan 0.000 0.452 18 G N 0.320 109.102 108.800 -0.030 0.000 2.432 18 G HA2 -0.111 3.851 3.960 0.003 0.000 0.219 18 G HA3 -0.111 3.851 3.960 0.003 0.000 0.219 18 G C 1.677 176.503 174.900 -0.123 0.000 1.135 18 G CA 1.124 46.185 45.100 -0.066 0.000 0.767 18 G HN 0.456 nan 8.290 nan 0.000 0.550 19 A N -0.659 122.030 122.820 -0.218 0.000 1.975 19 A HA 0.164 4.486 4.320 0.003 0.000 0.215 19 A C 1.975 179.323 177.584 -0.395 0.000 1.170 19 A CA 1.333 53.122 52.037 -0.413 0.000 0.656 19 A CB -0.130 18.450 19.000 -0.701 0.000 0.821 19 A HN 0.384 nan 8.150 nan 0.000 0.449 20 H N -2.153 116.934 119.070 0.028 0.000 3.440 20 H HA 0.405 4.963 4.556 0.003 0.000 0.259 20 H C -0.332 175.049 175.328 0.087 0.000 1.120 20 H CA -0.256 55.824 56.048 0.053 0.000 1.191 20 H CB 0.251 30.043 29.762 0.050 0.000 1.537 20 H HN 0.242 nan 8.280 nan 0.000 0.547 21 L N 0.865 122.191 121.223 0.172 0.000 2.309 21 L HA 0.262 4.604 4.340 0.003 0.000 0.282 21 L C -0.657 176.315 176.870 0.170 0.000 1.036 21 L CA -0.770 54.168 54.840 0.163 0.000 0.806 21 L CB 1.648 43.767 42.059 0.100 0.000 1.220 21 L HN 0.010 nan 8.230 nan 0.000 0.429 22 W N 2.441 123.743 121.300 0.004 0.000 2.376 22 W HA 0.369 5.030 4.660 0.003 0.000 0.322 22 W C 0.429 176.896 176.519 -0.087 0.000 1.160 22 W CA -0.003 57.354 57.345 0.021 0.000 1.218 22 W CB 0.625 30.093 29.460 0.013 0.000 1.205 22 W HN 0.336 nan 8.180 nan 0.000 0.559 23 H N 1.593 120.804 119.070 0.234 0.000 2.710 23 H HA 0.372 4.930 4.556 0.003 0.000 0.361 23 H C -1.391 174.032 175.328 0.158 0.000 1.175 23 H CA -1.473 54.663 56.048 0.146 0.000 1.206 23 H CB 0.744 30.547 29.762 0.068 0.000 1.750 23 H HN 0.156 nan 8.280 nan 0.000 0.553 35 P HA 0.635 nan 4.420 nan 0.000 0.278 35 P C -0.811 176.454 177.300 -0.059 0.000 1.238 35 P CA -0.208 62.815 63.100 -0.129 0.000 0.794 35 P CB 1.266 32.778 31.700 -0.314 0.000 0.955 36 V N 2.471 122.364 119.914 -0.035 0.000 2.465 36 V HA 0.078 4.200 4.120 0.003 0.000 0.279 36 V C 0.571 176.603 176.094 -0.104 0.000 1.045 36 V CA -0.788 61.480 62.300 -0.052 0.000 0.938 36 V CB 1.625 33.431 31.823 -0.028 0.000 0.986 36 V HN 0.336 nan 8.190 nan 0.000 0.467 37 V N 4.874 124.744 119.914 -0.074 0.000 2.485 37 V HA 0.372 4.494 4.120 0.003 0.000 0.287 37 V C 0.732 176.759 176.094 -0.112 0.000 1.022 37 V CA 0.037 62.293 62.300 -0.075 0.000 1.067 37 V CB 0.821 32.618 31.823 -0.044 0.000 0.967 37 V HN 0.992 nan 8.190 nan 0.000 0.479 38 A N 4.705 127.444 122.820 -0.136 0.000 2.292 38 A HA 0.669 4.991 4.320 0.003 0.000 0.319 38 A C 0.530 178.046 177.584 -0.114 0.000 1.206 38 A CA -0.042 51.897 52.037 -0.164 0.000 0.835 38 A CB 1.585 20.445 19.000 -0.233 0.000 1.164 38 A HN 1.310 nan 8.150 nan 0.000 0.505 39 V N -1.110 118.745 119.914 -0.098 0.000 3.612 39 V HA 0.693 4.815 4.120 0.003 0.000 0.268 39 V C 0.466 176.520 176.094 -0.066 0.000 1.365 39 V CA 0.801 63.062 62.300 -0.066 0.000 1.044 39 V CB -0.612 31.188 31.823 -0.039 0.000 0.820 39 V HN 1.721 nan 8.190 nan 0.000 0.444 40 A N -0.234 122.530 122.820 -0.093 0.000 2.610 40 A HA 0.980 5.302 4.320 0.003 0.000 0.291 40 A C -0.878 176.577 177.584 -0.216 0.000 1.086 40 A CA -0.128 51.843 52.037 -0.111 0.000 0.677 40 A CB 1.472 20.495 19.000 0.038 0.000 1.278 40 A HN 1.749 nan 8.150 nan 0.000 0.414 41 A N 1.372 123.953 122.820 -0.398 0.000 2.488 41 A HA 0.796 5.118 4.320 0.003 0.000 0.295 41 A C -1.433 175.807 177.584 -0.573 0.000 1.045 41 A CA -0.413 51.337 52.037 -0.478 0.000 0.703 41 A CB 1.102 19.632 19.000 -0.783 0.000 1.271 41 A HN 0.987 nan 8.150 nan 0.000 0.400 42 H N 0.943 120.035 119.070 0.037 0.000 3.042 42 H HA 0.517 5.074 4.556 0.002 0.000 0.345 42 H C 0.748 176.214 175.328 0.230 0.000 1.052 42 H CA 0.241 56.365 56.048 0.127 0.000 1.311 42 H CB 1.627 31.432 29.762 0.071 0.000 1.810 42 H HN 1.827 nan 8.280 nan 0.000 0.505 43 G N 1.864 110.871 108.800 0.346 0.000 2.611 43 G HA2 -0.343 3.618 3.960 0.003 0.000 0.301 43 G HA3 -0.343 3.618 3.960 0.003 0.000 0.301 43 G C 0.850 175.957 174.900 0.345 0.000 1.233 43 G CA 0.832 46.134 45.100 0.336 0.000 0.993 43 G HN 0.826 nan 8.290 nan 0.000 0.553 44 A N -0.795 122.211 122.820 0.310 0.000 2.302 44 A HA 0.517 4.839 4.320 0.003 0.000 0.219 44 A C 0.153 177.629 177.584 -0.181 0.000 1.243 44 A CA 0.751 52.811 52.037 0.039 0.000 0.856 44 A CB -0.273 18.653 19.000 -0.124 0.000 0.893 44 A HN 0.616 nan 8.150 nan 0.000 0.491 45 W N -0.730 120.624 121.300 0.090 0.000 2.736 45 W HA 0.652 5.314 4.660 0.003 0.000 0.335 45 W C -0.546 175.924 176.519 -0.081 0.000 1.059 45 W CA -0.652 56.708 57.345 0.025 0.000 1.226 45 W CB 1.048 30.533 29.460 0.042 0.000 1.416 45 W HN -0.087 nan 8.180 nan 0.000 0.505 46 L N 2.055 123.333 121.223 0.092 0.000 2.334 46 L HA 0.680 5.022 4.340 0.003 0.000 0.272 46 L C 0.119 177.002 176.870 0.021 0.000 1.020 46 L CA -0.928 53.867 54.840 -0.075 0.000 0.812 46 L CB 1.572 43.505 42.059 -0.211 0.000 1.264 46 L HN 0.252 nan 8.230 nan 0.000 0.439 47 T N 3.557 118.090 114.554 -0.034 0.000 2.770 47 T HA 0.567 4.919 4.350 0.003 0.000 0.297 47 T C -0.104 174.561 174.700 -0.059 0.000 0.997 47 T CA -0.364 61.731 62.100 -0.008 0.000 0.949 47 T CB 0.457 69.332 68.868 0.012 0.000 0.941 47 T HN 0.255 nan 8.240 nan 0.000 0.457 48 L N 3.210 124.406 121.223 -0.046 0.000 2.334 48 L HA 0.625 4.967 4.340 0.003 0.000 0.270 48 L C -0.281 176.569 176.870 -0.034 0.000 1.018 48 L CA -1.443 53.353 54.840 -0.074 0.000 0.811 48 L CB 1.348 43.357 42.059 -0.084 0.000 1.271 48 L HN 0.359 nan 8.230 nan 0.000 0.443 49 I N 2.377 122.923 120.570 -0.039 0.000 2.312 49 I HA 0.398 4.570 4.170 0.003 0.000 0.290 49 I C -0.103 176.010 176.117 -0.007 0.000 1.008 49 I CA -0.135 61.153 61.300 -0.019 0.000 1.226 49 I CB 1.098 39.084 38.000 -0.023 0.000 1.371 49 I HN 0.607 nan 8.210 nan 0.000 0.468 50 R N 5.944 126.447 120.500 0.005 0.000 2.513 50 R HA 0.236 4.578 4.340 0.003 0.000 0.301 50 R C -0.568 175.738 176.300 0.010 0.000 0.968 50 R CA -0.407 55.702 56.100 0.014 0.000 0.872 50 R CB 1.067 31.384 30.300 0.029 0.000 1.177 50 R HN 0.754 nan 8.270 nan 0.000 0.444 51 D N 3.222 123.626 120.400 0.007 0.000 2.720 51 D HA -0.217 4.425 4.640 0.003 0.000 0.229 51 D C 0.634 176.934 176.300 0.001 0.000 1.198 51 D CA 1.581 55.583 54.000 0.003 0.000 0.639 51 D CB -1.432 39.371 40.800 0.005 0.000 1.003 51 D HN 0.971 nan 8.370 nan 0.000 0.411 52 G N -1.110 107.689 108.800 -0.002 0.000 2.212 52 G HA2 -0.329 3.633 3.960 0.003 0.000 0.266 52 G HA3 -0.329 3.633 3.960 0.003 0.000 0.266 52 G C 0.005 174.903 174.900 -0.003 0.000 0.978 52 G CA 0.643 45.741 45.100 -0.003 0.000 0.632 52 G HN 0.713 nan 8.290 nan 0.000 0.537 53 Q N 0.748 120.548 119.800 -0.000 0.000 2.316 53 Q HA 0.475 4.817 4.340 0.003 0.000 0.264 53 Q C -2.551 173.449 176.000 0.001 0.000 0.987 53 Q CA -2.178 53.626 55.803 0.000 0.000 0.852 53 Q CB 2.399 31.139 28.738 0.003 0.000 1.287 53 Q HN 0.305 nan 8.270 nan 0.000 0.448 54 P HA 0.194 nan 4.420 nan 0.000 0.271 54 P C -0.442 176.863 177.300 0.008 0.000 1.220 54 P CA 0.007 63.106 63.100 -0.001 0.000 0.768 54 P CB 0.415 32.112 31.700 -0.005 0.000 0.848 55 I N -1.009 119.573 120.570 0.020 0.000 2.785 55 I HA 0.547 4.719 4.170 0.003 0.000 0.302 55 I C -0.451 175.707 176.117 0.069 0.000 1.069 55 I CA -1.324 60.001 61.300 0.042 0.000 1.045 55 I CB 2.768 40.802 38.000 0.057 0.000 1.236 55 I HN 0.105 nan 8.210 nan 0.000 0.429 56 E N 4.459 124.719 120.200 0.100 0.000 2.109 56 E HA 0.505 4.857 4.350 0.003 0.000 0.278 56 E C -0.797 176.041 176.600 0.397 0.000 0.954 56 E CA -0.743 55.775 56.400 0.197 0.000 0.779 56 E CB 2.248 31.985 29.700 0.063 0.000 1.093 56 E HN 0.587 nan 8.360 nan 0.000 0.401 57 V N 0.586 120.736 119.914 0.393 0.000 2.914 57 V HA 0.456 4.578 4.120 0.003 0.000 0.314 57 V C -0.616 175.513 176.094 0.059 0.000 1.084 57 V CA -1.304 61.169 62.300 0.289 0.000 0.963 57 V CB 1.587 33.522 31.823 0.187 0.000 1.025 57 V HN 0.402 nan 8.190 nan 0.000 0.432 58 L N 2.562 123.598 121.223 -0.312 0.000 2.360 58 L HA 0.413 4.754 4.340 0.003 0.000 0.276 58 L C 0.403 177.149 176.870 -0.207 0.000 1.121 58 L CA 0.417 54.875 54.840 -0.637 0.000 0.845 58 L CB 0.337 41.978 42.059 -0.696 0.000 1.143 58 L HN 0.954 nan 8.230 nan 0.000 0.452 59 D N 3.525 123.828 120.400 -0.162 0.000 2.545 59 D HA 0.148 4.790 4.640 0.003 0.000 0.227 59 D C 1.024 177.320 176.300 -0.006 0.000 1.150 59 D CA 0.257 54.276 54.000 0.032 0.000 1.046 59 D CB 0.670 41.526 40.800 0.093 0.000 1.098 59 D HN 0.628 nan 8.370 nan 0.000 0.502 60 A N 3.827 126.631 122.820 -0.027 0.000 2.067 60 A HA -0.123 4.199 4.320 0.003 0.000 0.219 60 A C 1.757 179.257 177.584 -0.140 0.000 1.158 60 A CA 0.807 52.778 52.037 -0.110 0.000 0.661 60 A CB -0.162 18.745 19.000 -0.154 0.000 0.801 60 A HN 0.510 nan 8.150 nan 0.000 0.452 61 M N -0.882 118.668 119.600 -0.084 0.000 2.495 61 M HA 0.171 4.653 4.480 0.003 0.000 0.237 61 M C 0.703 176.952 176.300 -0.086 0.000 1.131 61 M CA 0.259 55.474 55.300 -0.142 0.000 1.032 61 M CB -1.043 31.542 32.600 -0.025 0.000 1.513 61 M HN 0.274 nan 8.290 nan 0.000 0.488 62 S N 1.491 117.177 115.700 -0.023 0.000 3.521 62 S HA -0.155 4.317 4.470 0.003 0.000 0.362 62 S C 0.448 175.092 174.600 0.074 0.000 1.044 62 S CA 0.715 58.912 58.200 -0.004 0.000 1.091 62 S CB -1.735 61.419 63.200 -0.077 0.000 0.908 62 S HN 0.642 nan 8.310 nan 0.000 0.473 63 S N -1.449 114.358 115.700 0.178 0.000 3.628 63 S HA -0.225 4.247 4.470 0.003 0.000 0.373 63 S C -0.014 174.790 174.600 0.341 0.000 0.968 63 S CA 0.911 59.255 58.200 0.241 0.000 1.215 63 S CB -1.634 61.693 63.200 0.213 0.000 0.912 63 S HN 1.346 nan 8.310 nan 0.000 0.495 64 W N -0.224 121.133 121.300 0.095 0.000 5.447 64 W HA -0.194 4.468 4.660 0.003 0.000 0.421 64 W C 0.165 176.887 176.519 0.338 0.000 1.665 64 W CA 0.964 58.407 57.345 0.163 0.000 0.941 64 W CB -2.246 27.352 29.460 0.230 0.000 2.889 64 W HN 0.834 nan 8.180 nan 0.000 1.320 65 W N -2.337 118.956 121.300 -0.011 0.000 1.828 65 W HA -0.401 4.261 4.660 0.003 0.000 0.253 65 W C 2.112 178.584 176.519 -0.079 0.000 1.019 65 W CA 2.375 59.663 57.345 -0.095 0.000 0.447 65 W CB -2.012 27.305 29.460 -0.238 0.000 2.033 65 W HN 0.402 nan 8.180 nan 0.000 1.268 66 T N -3.825 110.811 114.554 0.136 0.000 2.983 66 T HA 0.410 4.762 4.350 0.003 0.000 0.250 66 T C 1.369 176.011 174.700 -0.096 0.000 1.037 66 T CA 0.695 62.821 62.100 0.042 0.000 1.142 66 T CB -0.364 68.546 68.868 0.071 0.000 0.876 66 T HN 0.493 nan 8.240 nan 0.000 0.455 67 A N 2.343 125.068 122.820 -0.158 0.000 3.029 67 A HA 0.511 4.833 4.320 0.003 0.000 0.251 67 A C 1.642 179.032 177.584 -0.323 0.000 1.749 67 A CA -0.345 51.513 52.037 -0.298 0.000 1.386 67 A CB -1.484 17.204 19.000 -0.520 0.000 1.043 67 A HN 0.786 nan 8.150 nan 0.000 0.638 68 I N -2.937 117.364 120.570 -0.449 0.000 2.361 68 I HA -0.180 3.992 4.170 0.003 0.000 0.251 68 I C 1.441 177.103 176.117 -0.758 0.000 1.133 68 I CA 1.383 62.157 61.300 -0.878 0.000 1.413 68 I CB -0.436 36.806 38.000 -1.263 0.000 1.073 68 I HN 0.456 nan 8.210 nan 0.000 0.424 69 H N 1.627 120.557 119.070 -0.234 0.000 2.551 69 H HA 0.435 4.993 4.556 0.003 0.000 0.271 69 H C 1.205 176.571 175.328 0.063 0.000 0.984 69 H CA 0.514 56.519 56.048 -0.071 0.000 1.164 69 H CB 0.093 29.758 29.762 -0.162 0.000 1.437 69 H HN 0.559 nan 8.280 nan 0.000 0.550 70 G N 0.806 109.624 108.800 0.029 0.000 2.757 70 G HA2 -0.192 3.770 3.960 0.003 0.000 0.638 70 G HA3 -0.192 3.770 3.960 0.003 0.000 0.638 70 G C -0.754 174.131 174.900 -0.025 0.000 1.344 70 G CA -0.833 44.295 45.100 0.047 0.000 0.855 70 G HN 0.468 nan 8.290 nan 0.000 0.537 71 H N 0.092 119.197 119.070 0.059 0.000 2.511 71 H HA 0.440 4.998 4.556 0.003 0.000 0.346 71 H C 1.450 176.811 175.328 0.054 0.000 1.128 71 H CA 0.709 56.732 56.048 -0.042 0.000 1.342 71 H CB 1.126 30.812 29.762 -0.127 0.000 1.470 71 H HN 2.109 nan 8.280 nan 0.000 0.546 72 G N 2.072 110.950 108.800 0.130 0.000 2.356 72 G HA2 -0.276 3.686 3.960 0.003 0.000 0.296 72 G HA3 -0.276 3.686 3.960 0.003 0.000 0.296 72 G C 0.180 175.256 174.900 0.293 0.000 1.022 72 G CA 0.385 45.629 45.100 0.240 0.000 0.961 72 G HN 0.830 nan 8.290 nan 0.000 0.510 73 H N 1.078 120.314 119.070 0.276 0.000 2.848 73 H HA 0.149 4.706 4.556 0.003 0.000 0.317 73 H C -0.514 174.892 175.328 0.129 0.000 1.046 73 H CA -0.893 55.265 56.048 0.183 0.000 1.470 73 H CB 1.398 31.254 29.762 0.156 0.000 1.483 73 H HN 0.166 nan 8.280 nan 0.000 0.548 74 P HA -0.182 nan 4.420 nan 0.000 0.216 74 P C 1.086 178.459 177.300 0.122 0.000 1.150 74 P CA 1.804 64.934 63.100 0.049 0.000 0.843 74 P CB 0.067 31.741 31.700 -0.044 0.000 0.787 75 A N -0.478 122.502 122.820 0.266 0.000 2.015 75 A HA -0.074 4.248 4.320 0.003 0.000 0.219 75 A C 2.372 179.952 177.584 -0.006 0.000 1.163 75 A CA 1.154 53.266 52.037 0.124 0.000 0.646 75 A CB -1.230 17.833 19.000 0.105 0.000 0.806 75 A HN 0.150 nan 8.150 nan 0.000 0.448 76 L N -1.323 119.886 121.223 -0.024 0.000 2.253 76 L HA -0.016 4.326 4.340 0.003 0.000 0.205 76 L C 1.845 178.531 176.870 -0.306 0.000 1.078 76 L CA 0.715 55.377 54.840 -0.297 0.000 0.805 76 L CB -0.764 40.975 42.059 -0.534 0.000 0.963 76 L HN 0.173 nan 8.230 nan 0.000 0.459 77 D N 0.490 120.863 120.400 -0.046 0.000 2.116 77 D HA -0.265 4.377 4.640 0.003 0.000 0.193 77 D C 2.137 178.437 176.300 0.000 0.000 0.998 77 D CA 1.440 55.476 54.000 0.061 0.000 0.836 77 D CB -0.026 40.860 40.800 0.144 0.000 0.951 77 D HN 0.298 nan 8.370 nan 0.000 0.449 78 Q N -0.147 119.651 119.800 -0.003 0.000 2.083 78 Q HA -0.060 4.282 4.340 0.003 0.000 0.198 78 Q C 2.041 178.019 176.000 -0.036 0.000 0.969 78 Q CA 1.321 57.118 55.803 -0.009 0.000 0.838 78 Q CB -0.045 28.695 28.738 0.003 0.000 0.900 78 Q HN 0.213 nan 8.270 nan 0.000 0.436 79 A N 0.669 123.447 122.820 -0.070 0.000 1.908 79 A HA -0.198 4.124 4.320 0.003 0.000 0.218 79 A C 1.961 179.493 177.584 -0.088 0.000 1.181 79 A CA 1.273 53.259 52.037 -0.085 0.000 0.627 79 A CB -0.766 18.162 19.000 -0.121 0.000 0.818 79 A HN 0.457 nan 8.150 nan 0.000 0.445 80 L N 0.367 121.523 121.223 -0.113 0.000 1.989 80 L HA -0.162 4.180 4.340 0.003 0.000 0.211 80 L C 2.964 179.812 176.870 -0.035 0.000 1.071 80 L CA 2.940 57.732 54.840 -0.081 0.000 0.749 80 L CB -0.993 41.018 42.059 -0.081 0.000 0.890 80 L HN 0.621 nan 8.230 nan 0.000 0.431 81 T N -5.661 108.883 114.554 -0.018 0.000 2.915 81 T HA -0.137 4.215 4.350 0.003 0.000 0.269 81 T C 1.759 176.454 174.700 -0.009 0.000 1.071 81 T CA 1.563 63.661 62.100 -0.003 0.000 1.132 81 T CB -0.808 68.066 68.868 0.010 0.000 0.878 81 T HN 0.316 nan 8.240 nan 0.000 0.479 82 T N 1.619 116.162 114.554 -0.017 0.000 2.737 82 T HA -0.088 4.264 4.350 0.003 0.000 0.265 82 T C 2.022 176.710 174.700 -0.021 0.000 1.038 82 T CA 1.545 63.636 62.100 -0.016 0.000 1.144 82 T CB -0.440 68.417 68.868 -0.019 0.000 0.866 82 T HN 0.393 nan 8.240 nan 0.000 0.434 83 Q N 0.744 120.525 119.800 -0.031 0.000 2.124 83 Q HA -0.033 4.309 4.340 0.003 0.000 0.202 83 Q C 2.076 178.059 176.000 -0.029 0.000 0.977 83 Q CA 1.156 56.937 55.803 -0.037 0.000 0.850 83 Q CB -0.749 27.957 28.738 -0.054 0.000 0.901 83 Q HN 0.404 nan 8.270 nan 0.000 0.429 84 L N 0.279 121.490 121.223 -0.020 0.000 2.127 84 L HA -0.141 4.201 4.340 0.003 0.000 0.211 84 L C 2.011 178.878 176.870 -0.005 0.000 1.089 84 L CA 1.768 56.603 54.840 -0.009 0.000 0.757 84 L CB -0.279 41.779 42.059 -0.002 0.000 0.899 84 L HN 0.155 nan 8.230 nan 0.000 0.434 85 R N -1.702 118.795 120.500 -0.006 0.000 2.115 85 R HA -0.077 4.265 4.340 0.003 0.000 0.230 85 R C 1.975 178.272 176.300 -0.005 0.000 1.111 85 R CA 1.424 57.522 56.100 -0.003 0.000 0.976 85 R CB -0.246 30.053 30.300 -0.003 0.000 0.870 85 R HN 0.317 nan 8.270 nan 0.000 0.445 86 V N -0.156 119.752 119.914 -0.010 0.000 2.436 86 V HA 0.111 4.233 4.120 0.003 0.000 0.240 86 V C 0.888 176.972 176.094 -0.017 0.000 1.040 86 V CA 0.847 63.140 62.300 -0.012 0.000 1.052 86 V CB 0.097 31.911 31.823 -0.015 0.000 0.707 86 V HN 0.258 nan 8.190 nan 0.000 0.469 87 M N 0.997 120.581 119.600 -0.027 0.000 2.355 87 M HA 0.223 4.705 4.480 0.003 0.000 0.232 87 M C 0.028 176.303 176.300 -0.041 0.000 0.988 87 M CA -0.376 54.902 55.300 -0.037 0.000 0.931 87 M CB 1.270 33.834 32.600 -0.060 0.000 2.294 87 M HN 0.279 nan 8.290 nan 0.000 0.459 88 N N 2.625 121.324 118.700 -0.001 0.000 2.062 88 N HA -0.058 4.684 4.740 0.003 0.000 0.191 88 N C 0.070 175.637 175.510 0.094 0.000 1.042 88 N CA 1.534 54.606 53.050 0.038 0.000 0.845 88 N CB -0.121 38.405 38.487 0.066 0.000 1.024 88 N HN 0.819 nan 8.380 nan 0.000 0.424 89 H N -1.272 117.782 119.070 -0.028 0.000 3.085 89 H HA 0.537 5.094 4.556 0.002 0.000 0.356 89 H C -1.619 173.691 175.328 -0.030 0.000 1.178 89 H CA -0.749 55.286 56.048 -0.022 0.000 1.214 89 H CB 1.551 31.369 29.762 0.094 0.000 1.881 89 H HN 0.131 nan 8.280 nan 0.000 0.538 90 V N 2.331 121.850 119.914 -0.659 0.000 3.040 90 V HA 0.512 4.634 4.120 0.003 0.000 0.312 90 V C 0.222 175.953 176.094 -0.604 0.000 1.115 90 V CA -1.203 60.820 62.300 -0.462 0.000 0.998 90 V CB 1.838 33.572 31.823 -0.149 0.000 1.042 90 V HN 0.972 nan 8.190 nan 0.000 0.433 91 M N 1.399 120.833 119.600 -0.276 0.000 2.238 91 M HA 0.377 4.859 4.480 0.003 0.000 0.350 91 M C 0.080 176.413 176.300 0.056 0.000 1.321 91 M CA 0.175 55.419 55.300 -0.092 0.000 1.097 91 M CB -0.021 32.556 32.600 -0.038 0.000 1.713 91 M HN 0.677 nan 8.290 nan 0.000 0.455 92 F N 2.445 122.356 119.950 -0.065 0.000 2.811 92 F HA 0.316 4.845 4.527 0.002 0.000 0.301 92 F C 1.223 176.993 175.800 -0.051 0.000 1.151 92 F CA -0.355 57.619 58.000 -0.044 0.000 1.412 92 F CB -0.083 38.903 39.000 -0.024 0.000 1.113 92 F HN 0.790 nan 8.300 nan 0.000 0.579 93 G N -0.287 108.506 108.800 -0.012 0.000 2.444 93 G HA2 0.416 4.377 3.960 0.003 0.000 0.303 93 G HA3 0.416 4.377 3.960 0.003 0.000 0.303 93 G C 1.030 175.867 174.900 -0.105 0.000 1.032 93 G CA 0.138 45.195 45.100 -0.072 0.000 1.137 93 G HN 0.680 nan 8.290 nan 0.000 0.430 94 G N 1.369 110.069 108.800 -0.167 0.000 2.195 94 G HA2 -0.237 3.725 3.960 0.003 0.000 0.246 94 G HA3 -0.237 3.725 3.960 0.003 0.000 0.246 94 G C 0.258 175.070 174.900 -0.148 0.000 0.984 94 G CA 0.341 45.359 45.100 -0.137 0.000 0.633 94 G HN 0.768 nan 8.290 nan 0.000 0.525 95 L N 0.318 121.431 121.223 -0.184 0.000 2.362 95 L HA 0.823 5.165 4.340 0.003 0.000 0.271 95 L C 0.259 176.977 176.870 -0.252 0.000 1.002 95 L CA -0.651 54.108 54.840 -0.135 0.000 0.818 95 L CB 2.328 44.371 42.059 -0.027 0.000 1.298 95 L HN 0.174 nan 8.230 nan 0.000 0.420 96 T N -0.344 114.115 114.554 -0.159 0.000 2.888 96 T HA 0.770 5.122 4.350 0.003 0.000 0.288 96 T C -1.363 173.341 174.700 0.006 0.000 1.063 96 T CA -0.414 61.588 62.100 -0.163 0.000 1.010 96 T CB 1.356 70.113 68.868 -0.185 0.000 1.214 96 T HN 0.853 nan 8.240 nan 0.000 0.533 97 H N -1.544 117.613 119.070 0.146 0.000 2.948 97 H HA 0.507 5.066 4.556 0.005 0.000 0.315 97 H C 0.675 176.043 175.328 0.068 0.000 1.360 97 H CA -0.690 55.406 56.048 0.078 0.000 1.125 97 H CB 0.672 30.466 29.762 0.055 0.000 1.844 97 H HN 0.540 nan 8.280 nan 0.000 0.529 98 E N 0.000 120.328 120.200 0.214 0.000 2.072 98 E HA -0.037 4.315 4.350 0.003 0.000 0.191 98 E C -0.877 175.803 176.600 0.134 0.000 0.985 98 E CA 0.972 57.449 56.400 0.128 0.000 0.801 98 E CB -0.883 28.866 29.700 0.082 0.000 0.750 98 E HN 0.555 nan 8.360 nan 0.000 0.452 99 P HA -0.159 nan 4.420 nan 0.000 0.215 99 P C 0.949 178.293 177.300 0.074 0.000 1.153 99 P CA 2.060 65.220 63.100 0.101 0.000 0.853 99 P CB -0.065 31.662 31.700 0.046 0.000 0.788 100 A N -0.079 122.813 122.820 0.120 0.000 1.873 100 A HA -0.078 4.244 4.320 0.003 0.000 0.215 100 A C 2.344 179.992 177.584 0.107 0.000 1.186 100 A CA 2.091 54.098 52.037 -0.051 0.000 0.616 100 A CB -1.623 17.198 19.000 -0.298 0.000 0.823 100 A HN 0.184 nan 8.150 nan 0.000 0.442 101 A N -0.428 122.443 122.820 0.085 0.000 1.902 101 A HA -0.165 4.157 4.320 0.003 0.000 0.217 101 A C 2.280 179.924 177.584 0.100 0.000 1.181 101 A CA 1.481 53.577 52.037 0.097 0.000 0.623 101 A CB -0.497 18.542 19.000 0.066 0.000 0.818 101 A HN 0.468 nan 8.150 nan 0.000 0.443 102 R N -1.276 119.275 120.500 0.085 0.000 2.081 102 R HA -0.115 4.227 4.340 0.003 0.000 0.235 102 R C 2.095 178.454 176.300 0.098 0.000 1.131 102 R CA 1.496 57.642 56.100 0.076 0.000 0.960 102 R CB -0.695 29.638 30.300 0.055 0.000 0.856 102 R HN 0.502 nan 8.270 nan 0.000 0.436 103 L N 0.709 122.003 121.223 0.119 0.000 2.056 103 L HA -0.038 4.304 4.340 0.003 0.000 0.207 103 L C 2.268 179.294 176.870 0.260 0.000 1.078 103 L CA 1.798 56.746 54.840 0.180 0.000 0.749 103 L CB -0.709 41.443 42.059 0.154 0.000 0.901 103 L HN 0.094 nan 8.230 nan 0.000 0.433 104 A N -0.467 122.525 122.820 0.288 0.000 1.883 104 A HA -0.278 4.044 4.320 0.003 0.000 0.217 104 A C 2.357 180.003 177.584 0.102 0.000 1.186 104 A CA 2.048 54.193 52.037 0.180 0.000 0.624 104 A CB -0.638 18.457 19.000 0.158 0.000 0.822 104 A HN 0.418 nan 8.150 nan 0.000 0.444 105 K N 0.036 120.495 120.400 0.099 0.000 2.009 105 K HA -0.073 4.249 4.320 0.003 0.000 0.210 105 K C 1.795 178.442 176.600 0.078 0.000 1.049 105 K CA 1.688 58.018 56.287 0.072 0.000 0.929 105 K CB -0.704 31.835 32.500 0.066 0.000 0.714 105 K HN 0.432 nan 8.250 nan 0.000 0.440 106 L N 0.251 121.533 121.223 0.100 0.000 1.990 106 L HA -0.252 4.090 4.340 0.003 0.000 0.213 106 L C 2.439 179.387 176.870 0.130 0.000 1.072 106 L CA 1.585 56.495 54.840 0.116 0.000 0.755 106 L CB -0.454 41.684 42.059 0.131 0.000 0.889 106 L HN 0.247 nan 8.230 nan 0.000 0.432 107 L N -1.358 119.947 121.223 0.137 0.000 2.017 107 L HA -0.213 4.129 4.340 0.003 0.000 0.208 107 L C 2.512 179.394 176.870 0.021 0.000 1.073 107 L CA 0.932 55.837 54.840 0.109 0.000 0.745 107 L CB -0.537 41.578 42.059 0.094 0.000 0.894 107 L HN 0.066 nan 8.230 nan 0.000 0.432 108 V N -0.096 119.824 119.914 0.010 0.000 2.469 108 V HA -0.303 3.819 4.120 0.003 0.000 0.251 108 V C 1.980 178.074 176.094 0.000 0.000 1.064 108 V CA 1.877 64.167 62.300 -0.018 0.000 1.066 108 V CB -0.496 31.320 31.823 -0.012 0.000 0.667 108 V HN 0.440 nan 8.190 nan 0.000 0.461 109 D N -0.188 120.233 120.400 0.036 0.000 2.194 109 D HA -0.021 4.621 4.640 0.003 0.000 0.204 109 D C 1.870 178.211 176.300 0.068 0.000 0.964 109 D CA 1.430 55.460 54.000 0.049 0.000 0.846 109 D CB 0.030 40.868 40.800 0.064 0.000 0.962 109 D HN 0.658 nan 8.370 nan 0.000 0.490 110 I N -1.772 118.855 120.570 0.096 0.000 3.854 110 I HA 0.148 4.320 4.170 0.003 0.000 0.312 110 I C 0.614 176.837 176.117 0.176 0.000 1.273 110 I CA -0.076 61.323 61.300 0.164 0.000 1.298 110 I CB -0.069 38.071 38.000 0.233 0.000 1.071 110 I HN -0.237 nan 8.210 nan 0.000 0.428 111 T N 0.115 114.651 114.554 -0.030 0.000 2.849 111 T HA 0.425 4.777 4.350 0.003 0.000 0.284 111 T C -2.331 172.291 174.700 -0.129 0.000 1.004 111 T CA -1.437 60.485 62.100 -0.296 0.000 1.021 111 T CB 0.132 68.728 68.868 -0.454 0.000 1.013 111 T HN -0.060 nan 8.240 nan 0.000 0.527 112 P HA 0.227 nan 4.420 nan 0.000 0.266 112 P C -0.342 176.924 177.300 -0.057 0.000 1.186 112 P CA -0.040 63.032 63.100 -0.047 0.000 0.767 112 P CB -0.002 31.681 31.700 -0.029 0.000 0.820 113 A N 2.588 125.392 122.820 -0.027 0.000 2.498 113 A HA 0.443 4.765 4.320 0.003 0.000 0.239 113 A C 1.530 179.082 177.584 -0.054 0.000 1.068 113 A CA 0.803 52.822 52.037 -0.030 0.000 0.766 113 A CB -1.029 17.965 19.000 -0.010 0.000 1.003 113 A HN 0.865 nan 8.150 nan 0.000 0.497 114 G N 0.739 109.503 108.800 -0.060 0.000 2.259 114 G HA2 -0.180 3.782 3.960 0.003 0.000 0.217 114 G HA3 -0.180 3.782 3.960 0.003 0.000 0.217 114 G C 0.112 174.948 174.900 -0.106 0.000 1.001 114 G CA 0.049 45.101 45.100 -0.081 0.000 0.627 114 G HN 0.867 nan 8.290 nan 0.000 0.501 115 L N 1.512 122.668 121.223 -0.112 0.000 2.325 115 L HA 0.516 4.858 4.340 0.003 0.000 0.284 115 L C 0.871 177.677 176.870 -0.107 0.000 1.089 115 L CA 0.052 54.814 54.840 -0.130 0.000 0.836 115 L CB 1.182 43.149 42.059 -0.153 0.000 1.184 115 L HN 0.177 nan 8.230 nan 0.000 0.444 116 D N 0.389 120.724 120.400 -0.109 0.000 2.500 116 D HA 0.081 4.723 4.640 0.003 0.000 0.218 116 D C -0.141 176.113 176.300 -0.078 0.000 1.140 116 D CA 0.336 54.286 54.000 -0.084 0.000 0.830 116 D CB 0.840 41.586 40.800 -0.090 0.000 1.055 116 D HN 0.394 nan 8.370 nan 0.000 0.512 117 T N -0.028 114.469 114.554 -0.096 0.000 2.886 117 T HA 0.569 4.921 4.350 0.003 0.000 0.292 117 T C -0.995 173.649 174.700 -0.093 0.000 1.012 117 T CA -0.586 61.468 62.100 -0.077 0.000 0.982 117 T CB 2.358 71.182 68.868 -0.074 0.000 1.018 117 T HN -0.261 nan 8.240 nan 0.000 0.451 118 V N 3.460 123.314 119.914 -0.102 0.000 2.531 118 V HA 0.573 4.695 4.120 0.003 0.000 0.301 118 V C -1.192 174.779 176.094 -0.204 0.000 1.034 118 V CA -0.901 61.265 62.300 -0.223 0.000 0.865 118 V CB 1.554 33.148 31.823 -0.382 0.000 0.995 118 V HN 0.864 nan 8.190 nan 0.000 0.424 119 F N 5.482 125.239 119.950 -0.321 0.000 2.427 119 F HA 0.728 5.257 4.527 0.004 0.000 0.348 119 F C -0.649 175.004 175.800 -0.244 0.000 1.125 119 F CA -0.999 56.886 58.000 -0.191 0.000 0.989 119 F CB 0.957 39.909 39.000 -0.080 0.000 1.165 119 F HN 0.349 nan 8.300 nan 0.000 0.442 120 F N 3.657 123.524 119.950 -0.139 0.000 2.384 120 F HA 0.567 5.097 4.527 0.005 0.000 0.338 120 F C 0.592 176.415 175.800 0.039 0.000 1.103 120 F CA -0.057 57.911 58.000 -0.054 0.000 1.157 120 F CB 1.461 40.345 39.000 -0.193 0.000 1.167 120 F HN 0.523 nan 8.300 nan 0.000 0.529 121 S N 0.122 116.028 115.700 0.344 0.000 2.840 121 S HA 0.447 4.919 4.470 0.003 0.000 0.307 121 S C -0.355 174.366 174.600 0.201 0.000 1.180 121 S CA -0.812 57.550 58.200 0.272 0.000 0.846 121 S CB 1.825 65.200 63.200 0.293 0.000 1.233 121 S HN 0.471 nan 8.310 nan 0.000 0.548 122 D N 0.851 121.348 120.400 0.162 0.000 2.392 122 D HA 0.253 4.895 4.640 0.003 0.000 0.206 122 D C 0.457 176.816 176.300 0.098 0.000 1.046 122 D CA 0.812 54.880 54.000 0.114 0.000 0.865 122 D CB 0.693 41.553 40.800 0.101 0.000 0.969 122 D HN 0.635 nan 8.370 nan 0.000 0.509 123 S N -1.817 113.950 115.700 0.111 0.000 2.579 123 S HA 0.518 4.990 4.470 0.003 0.000 0.272 123 S C 1.085 175.748 174.600 0.106 0.000 1.141 123 S CA -0.378 57.884 58.200 0.104 0.000 0.843 123 S CB 1.667 64.922 63.200 0.092 0.000 1.122 123 S HN -0.057 nan 8.310 nan 0.000 0.468 124 G N 1.163 110.027 108.800 0.107 0.000 2.418 124 G HA2 -0.145 3.817 3.960 0.003 0.000 0.217 124 G HA3 -0.145 3.817 3.960 0.003 0.000 0.217 124 G C 1.449 176.387 174.900 0.062 0.000 1.158 124 G CA 1.092 46.246 45.100 0.089 0.000 0.771 124 G HN 0.788 nan 8.290 nan 0.000 0.545 125 S N -0.531 115.205 115.700 0.059 0.000 2.382 125 S HA -0.096 4.376 4.470 0.003 0.000 0.228 125 S C 2.511 177.124 174.600 0.021 0.000 1.027 125 S CA 1.325 59.537 58.200 0.021 0.000 0.991 125 S CB -0.200 63.012 63.200 0.019 0.000 0.823 125 S HN 0.144 nan 8.310 nan 0.000 0.469 126 V N 2.044 121.987 119.914 0.048 0.000 2.427 126 V HA -0.110 4.012 4.120 0.003 0.000 0.248 126 V C 2.640 178.760 176.094 0.043 0.000 1.051 126 V CA 1.856 64.188 62.300 0.053 0.000 1.048 126 V CB -0.947 30.929 31.823 0.088 0.000 0.666 126 V HN 0.739 nan 8.190 nan 0.000 0.456 127 S N -0.186 115.550 115.700 0.060 0.000 2.419 127 S HA -0.140 4.332 4.470 0.003 0.000 0.233 127 S C 1.901 176.493 174.600 -0.014 0.000 1.016 127 S CA 1.504 59.729 58.200 0.042 0.000 0.974 127 S CB -0.454 62.789 63.200 0.072 0.000 0.786 127 S HN 0.331 nan 8.310 nan 0.000 0.492 128 V N 2.445 122.353 119.914 -0.012 0.000 2.307 128 V HA -0.118 4.004 4.120 0.003 0.000 0.245 128 V C 2.867 178.920 176.094 -0.069 0.000 1.045 128 V CA 1.898 64.173 62.300 -0.041 0.000 1.024 128 V CB -0.767 31.040 31.823 -0.027 0.000 0.651 128 V HN 0.519 nan 8.190 nan 0.000 0.449 129 E N 0.161 120.328 120.200 -0.054 0.000 2.097 129 E HA -0.212 4.140 4.350 0.003 0.000 0.196 129 E C 2.308 178.847 176.600 -0.101 0.000 1.000 129 E CA 1.731 58.094 56.400 -0.062 0.000 0.804 129 E CB -0.372 29.307 29.700 -0.035 0.000 0.740 129 E HN 0.485 nan 8.360 nan 0.000 0.454 130 V N 1.610 121.447 119.914 -0.129 0.000 2.343 130 V HA -0.278 3.844 4.120 0.003 0.000 0.247 130 V C 2.472 178.435 176.094 -0.218 0.000 1.051 130 V CA 1.793 63.944 62.300 -0.247 0.000 1.036 130 V CB -0.848 30.771 31.823 -0.340 0.000 0.654 130 V HN 0.287 nan 8.190 nan 0.000 0.451 131 A N 0.155 122.883 122.820 -0.154 0.000 1.892 131 A HA -0.209 4.113 4.320 0.003 0.000 0.218 131 A C 2.439 179.947 177.584 -0.127 0.000 1.188 131 A CA 2.452 54.405 52.037 -0.139 0.000 0.631 131 A CB -0.920 18.012 19.000 -0.114 0.000 0.822 131 A HN 0.598 nan 8.150 nan 0.000 0.447 132 A N -0.419 122.334 122.820 -0.111 0.000 1.933 132 A HA -0.158 4.164 4.320 0.003 0.000 0.218 132 A C 2.096 179.639 177.584 -0.069 0.000 1.175 132 A CA 1.830 53.815 52.037 -0.087 0.000 0.628 132 A CB -0.431 18.519 19.000 -0.084 0.000 0.814 132 A HN 0.574 nan 8.150 nan 0.000 0.444 133 K N -0.863 119.481 120.400 -0.093 0.000 2.097 133 K HA -0.065 4.257 4.320 0.003 0.000 0.206 133 K C 2.052 178.602 176.600 -0.083 0.000 1.049 133 K CA 1.626 57.860 56.287 -0.088 0.000 0.933 133 K CB -0.287 32.139 32.500 -0.124 0.000 0.717 133 K HN 0.506 nan 8.250 nan 0.000 0.442 134 M N 0.323 119.852 119.600 -0.118 0.000 2.117 134 M HA -0.165 4.317 4.480 0.003 0.000 0.262 134 M C 2.454 178.719 176.300 -0.058 0.000 1.065 134 M CA 1.643 56.879 55.300 -0.106 0.000 1.114 134 M CB -0.360 32.149 32.600 -0.152 0.000 1.361 134 M HN 0.228 nan 8.290 nan 0.000 0.408 135 A N 0.656 123.446 122.820 -0.050 0.000 1.877 135 A HA -0.131 4.191 4.320 0.003 0.000 0.216 135 A C 2.099 179.785 177.584 0.170 0.000 1.186 135 A CA 1.375 53.429 52.037 0.029 0.000 0.620 135 A CB -0.957 18.069 19.000 0.043 0.000 0.822 135 A HN 0.438 nan 8.150 nan 0.000 0.443 136 L N -0.924 120.368 121.223 0.114 0.000 2.017 136 L HA -0.250 4.092 4.340 0.003 0.000 0.208 136 L C 2.890 179.829 176.870 0.115 0.000 1.073 136 L CA 1.801 56.721 54.840 0.134 0.000 0.745 136 L CB -0.980 41.112 42.059 0.056 0.000 0.894 136 L HN 0.519 nan 8.230 nan 0.000 0.432 137 Q N -1.092 118.738 119.800 0.051 0.000 2.167 137 Q HA -0.239 4.103 4.340 0.003 0.000 0.202 137 Q C 2.085 178.087 176.000 0.003 0.000 0.970 137 Q CA 1.580 57.395 55.803 0.020 0.000 0.855 137 Q CB -0.228 28.506 28.738 -0.006 0.000 0.911 137 Q HN 0.457 nan 8.270 nan 0.000 0.438 138 Y N -0.191 120.021 120.300 -0.147 0.000 2.097 138 Y HA -0.279 4.273 4.550 0.003 0.000 0.282 138 Y C 1.533 177.258 175.900 -0.291 0.000 1.152 138 Y CA 1.788 59.709 58.100 -0.298 0.000 1.136 138 Y CB -0.480 37.680 38.460 -0.501 0.000 0.975 138 Y HN 0.101 nan 8.280 nan 0.000 0.498 139 W N 0.427 121.719 121.300 -0.013 0.000 2.402 139 W HA -0.093 4.569 4.660 0.003 0.000 0.286 139 W C 2.723 179.169 176.519 -0.121 0.000 1.221 139 W CA 1.254 58.540 57.345 -0.099 0.000 1.257 139 W CB -0.324 29.152 29.460 0.027 0.000 1.120 139 W HN 0.002 nan 8.180 nan 0.000 0.551 140 R N 0.909 121.478 120.500 0.115 0.000 2.091 140 R HA -0.096 4.246 4.340 0.003 0.000 0.238 140 R C 2.302 178.583 176.300 -0.032 0.000 1.136 140 R CA 2.156 58.280 56.100 0.039 0.000 0.959 140 R CB -1.228 29.090 30.300 0.030 0.000 0.856 140 R HN 0.106 nan 8.270 nan 0.000 0.437 141 G N 0.096 108.835 108.800 -0.103 0.000 2.479 141 G HA2 -0.220 3.742 3.960 0.003 0.000 0.220 141 G HA3 -0.220 3.742 3.960 0.003 0.000 0.220 141 G C 1.210 176.003 174.900 -0.179 0.000 1.115 141 G CA 0.555 45.566 45.100 -0.148 0.000 0.757 141 G HN 0.341 nan 8.290 nan 0.000 0.560 142 R N -0.403 119.977 120.500 -0.199 0.000 2.393 142 R HA 0.245 4.587 4.340 0.003 0.000 0.244 142 R C 1.502 177.792 176.300 -0.017 0.000 0.920 142 R CA 0.403 56.415 56.100 -0.146 0.000 1.076 142 R CB 0.428 30.596 30.300 -0.220 0.000 1.119 142 R HN 0.311 nan 8.270 nan 0.000 0.524 143 G N 1.552 110.349 108.800 -0.004 0.000 2.147 143 G HA2 -0.247 3.715 3.960 0.003 0.000 0.244 143 G HA3 -0.247 3.715 3.960 0.003 0.000 0.244 143 G C 0.120 175.043 174.900 0.039 0.000 1.005 143 G CA -0.139 44.969 45.100 0.013 0.000 0.713 143 G HN 0.278 nan 8.290 nan 0.000 0.515 144 L N 0.417 121.690 121.223 0.084 0.000 2.732 144 L HA 0.279 4.621 4.340 0.003 0.000 0.246 144 L C -1.314 175.602 176.870 0.078 0.000 1.407 144 L CA -1.528 53.356 54.840 0.073 0.000 0.861 144 L CB 1.349 43.460 42.059 0.087 0.000 1.161 144 L HN -0.036 nan 8.230 nan 0.000 0.510 145 P HA -0.018 nan 4.420 nan 0.000 0.242 145 P C 1.424 178.733 177.300 0.016 0.000 1.197 145 P CA 0.489 63.620 63.100 0.051 0.000 0.765 145 P CB 0.362 32.081 31.700 0.031 0.000 0.936 146 G N 0.798 109.590 108.800 -0.013 0.000 2.534 146 G HA2 -0.134 3.828 3.960 0.003 0.000 0.217 146 G HA3 -0.134 3.828 3.960 0.003 0.000 0.217 146 G C 0.844 175.700 174.900 -0.074 0.000 1.128 146 G CA 0.057 45.133 45.100 -0.040 0.000 0.784 146 G HN 0.202 nan 8.290 nan 0.000 0.542 147 K N 1.121 121.454 120.400 -0.110 0.000 2.110 147 K HA 0.143 4.465 4.320 0.003 0.000 0.260 147 K C 0.859 177.418 176.600 -0.069 0.000 1.126 147 K CA 0.086 56.246 56.287 -0.211 0.000 1.005 147 K CB 0.394 32.561 32.500 -0.555 0.000 1.336 147 K HN 0.605 nan 8.250 nan 0.000 0.369 148 R N 0.217 120.682 120.500 -0.059 0.000 2.568 148 R HA 0.162 4.504 4.340 0.003 0.000 0.254 148 R C 0.363 176.639 176.300 -0.040 0.000 0.925 148 R CA -0.504 55.586 56.100 -0.018 0.000 1.025 148 R CB 0.367 30.661 30.300 -0.010 0.000 1.428 148 R HN 0.088 nan 8.270 nan 0.000 0.573 149 R N 1.185 121.642 120.500 -0.071 0.000 2.577 149 R HA 0.443 4.785 4.340 0.003 0.000 0.269 149 R C -0.479 175.749 176.300 -0.120 0.000 1.084 149 R CA -0.447 55.595 56.100 -0.097 0.000 1.163 149 R CB 0.874 31.104 30.300 -0.117 0.000 1.100 149 R HN -0.014 nan 8.270 nan 0.000 0.547 150 L N 1.508 122.635 121.223 -0.159 0.000 2.334 150 L HA 0.556 4.898 4.340 0.003 0.000 0.273 150 L C -0.277 176.425 176.870 -0.279 0.000 1.013 150 L CA -0.680 54.044 54.840 -0.194 0.000 0.816 150 L CB 1.816 43.757 42.059 -0.197 0.000 1.278 150 L HN 0.450 nan 8.230 nan 0.000 0.431 151 M N 1.611 121.052 119.600 -0.264 0.000 2.456 151 M HA 0.602 5.084 4.480 0.003 0.000 0.324 151 M C -0.772 175.360 176.300 -0.282 0.000 1.124 151 M CA 0.040 55.148 55.300 -0.320 0.000 0.959 151 M CB 2.184 34.621 32.600 -0.272 0.000 1.692 151 M HN 0.673 nan 8.290 nan 0.000 0.444 152 T N 2.506 116.866 114.554 -0.324 0.000 2.762 152 T HA 0.695 5.047 4.350 0.003 0.000 0.301 152 T C -2.081 172.665 174.700 0.076 0.000 1.299 152 T CA -0.538 61.452 62.100 -0.184 0.000 1.005 152 T CB 0.777 69.541 68.868 -0.173 0.000 1.377 152 T HN 0.722 nan 8.240 nan 0.000 0.504 153 W N 1.472 122.933 121.300 0.269 0.000 2.415 153 W HA 0.819 5.481 4.660 0.003 0.000 0.355 153 W C 0.071 176.767 176.519 0.295 0.000 1.161 153 W CA -1.537 55.990 57.345 0.304 0.000 1.315 153 W CB -0.361 29.291 29.460 0.321 0.000 1.261 153 W HN 0.675 nan 8.180 nan 0.000 0.636 154 R N 0.364 121.185 120.500 0.534 0.000 2.774 154 R HA 0.405 4.747 4.340 0.003 0.000 0.269 154 R C 1.146 177.588 176.300 0.237 0.000 1.068 154 R CA 1.024 57.313 56.100 0.315 0.000 1.180 154 R CB 0.004 30.376 30.300 0.120 0.000 1.077 154 R HN 1.088 nan 8.270 nan 0.000 0.513 155 G N -0.103 108.796 108.800 0.165 0.000 2.157 155 G HA2 -0.205 3.757 3.960 0.003 0.000 0.239 155 G HA3 -0.205 3.757 3.960 0.003 0.000 0.239 155 G C 0.296 175.313 174.900 0.196 0.000 0.982 155 G CA -0.219 44.959 45.100 0.130 0.000 0.650 155 G HN 0.886 nan 8.290 nan 0.000 0.527 156 G N -0.992 107.977 108.800 0.282 0.000 2.462 156 G HA2 0.670 4.632 3.960 0.003 0.000 0.319 156 G HA3 0.670 4.632 3.960 0.003 0.000 0.319 156 G C -1.075 173.944 174.900 0.198 0.000 1.171 156 G CA -0.648 44.602 45.100 0.249 0.000 0.920 156 G HN 1.022 nan 8.290 nan 0.000 0.499 157 Y N -0.599 119.588 120.300 -0.189 0.000 2.433 157 Y HA 0.517 5.069 4.550 0.003 0.000 0.337 157 Y C -0.241 175.406 175.900 -0.421 0.000 1.026 157 Y CA -0.878 57.136 58.100 -0.144 0.000 1.037 157 Y CB 1.880 40.325 38.460 -0.024 0.000 1.245 157 Y HN 0.659 nan 8.280 nan 0.000 0.443 158 H N 3.221 121.919 119.070 -0.619 0.000 3.182 158 H HA 0.565 5.123 4.556 0.003 0.000 0.254 158 H C 0.361 175.359 175.328 -0.550 0.000 1.197 158 H CA 0.022 55.813 56.048 -0.429 0.000 1.061 158 H CB 1.081 30.737 29.762 -0.177 0.000 1.722 158 H HN 0.974 nan 8.280 nan 0.000 0.662 159 G N -0.138 108.049 108.800 -1.021 0.000 2.353 159 G HA2 -0.158 3.804 3.960 0.003 0.000 0.615 159 G HA3 -0.158 3.804 3.960 0.003 0.000 0.615 159 G C -0.803 173.931 174.900 -0.276 0.000 1.280 159 G CA -0.214 44.613 45.100 -0.454 0.000 1.000 159 G HN 0.200 nan 8.290 nan 0.000 0.516 160 D N -0.121 120.231 120.400 -0.080 0.000 2.500 160 D HA 0.163 4.805 4.640 0.003 0.000 0.217 160 D C 1.451 177.627 176.300 -0.205 0.000 1.159 160 D CA 1.022 54.970 54.000 -0.085 0.000 0.828 160 D CB 0.636 41.445 40.800 0.014 0.000 1.039 160 D HN 0.749 nan 8.370 nan 0.000 0.512 161 T N -1.938 112.531 114.554 -0.143 0.000 2.860 161 T HA 0.109 4.461 4.350 0.003 0.000 0.299 161 T C 1.423 176.009 174.700 -0.189 0.000 1.045 161 T CA -0.473 61.554 62.100 -0.123 0.000 1.071 161 T CB 0.602 69.461 68.868 -0.015 0.000 0.985 161 T HN -0.189 nan 8.240 nan 0.000 0.537 162 F N 0.289 120.128 119.950 -0.185 0.000 2.126 162 F HA -0.066 4.463 4.527 0.003 0.000 0.299 162 F C 2.354 178.056 175.800 -0.163 0.000 1.096 162 F CA 1.137 59.005 58.000 -0.221 0.000 1.255 162 F CB -0.378 38.509 39.000 -0.188 0.000 0.997 162 F HN 0.399 nan 8.300 nan 0.000 0.479 163 L N 0.297 121.557 121.223 0.063 0.000 2.027 163 L HA -0.132 4.210 4.340 0.003 0.000 0.206 163 L C 2.381 179.226 176.870 -0.042 0.000 1.074 163 L CA 2.179 57.019 54.840 0.000 0.000 0.745 163 L CB -1.463 40.590 42.059 -0.011 0.000 0.898 163 L HN 0.167 nan 8.230 nan 0.000 0.433 164 A N -0.049 122.735 122.820 -0.060 0.000 1.940 164 A HA -0.254 4.068 4.320 0.003 0.000 0.219 164 A C 2.240 179.788 177.584 -0.061 0.000 1.176 164 A CA 2.013 54.007 52.037 -0.072 0.000 0.631 164 A CB -0.483 18.459 19.000 -0.096 0.000 0.814 164 A HN 0.557 nan 8.150 nan 0.000 0.446 165 M N 0.355 119.885 119.600 -0.117 0.000 2.213 165 M HA -0.150 4.332 4.480 0.003 0.000 0.263 165 M C 2.376 178.657 176.300 -0.031 0.000 1.062 165 M CA 1.655 56.887 55.300 -0.114 0.000 1.105 165 M CB -0.361 32.035 32.600 -0.341 0.000 1.385 165 M HN 0.643 nan 8.290 nan 0.000 0.417 166 S N 1.010 116.683 115.700 -0.044 0.000 2.465 166 S HA -0.118 4.354 4.470 0.003 0.000 0.241 166 S C 1.429 176.193 174.600 0.273 0.000 1.000 166 S CA 1.118 59.341 58.200 0.038 0.000 0.964 166 S CB -0.889 62.316 63.200 0.009 0.000 0.763 166 S HN 0.722 nan 8.310 nan 0.000 0.512 167 I N -1.769 118.934 120.570 0.222 0.000 4.082 167 I HA 0.441 4.612 4.170 0.003 0.000 0.337 167 I C 0.205 176.614 176.117 0.486 0.000 1.352 167 I CA -0.949 60.491 61.300 0.232 0.000 1.097 167 I CB -0.426 37.514 38.000 -0.100 0.000 1.048 167 I HN 0.119 nan 8.210 nan 0.000 0.393 168 C N 1.783 121.368 119.300 0.474 0.000 2.649 168 C HA 0.137 4.599 4.460 0.003 0.000 0.377 168 C C 0.856 176.050 174.990 0.339 0.000 1.321 168 C CA -0.086 59.185 59.018 0.422 0.000 2.368 168 C CB 0.127 28.073 27.740 0.344 0.000 2.597 168 C HN 0.472 nan 8.230 nan 0.000 0.678 169 D N 1.686 122.203 120.400 0.196 0.000 2.531 169 D HA 0.050 4.691 4.640 0.003 0.000 0.239 169 D C -1.501 174.541 176.300 -0.430 0.000 1.144 169 D CA -0.571 53.388 54.000 -0.067 0.000 0.869 169 D CB 0.691 41.504 40.800 0.021 0.000 1.160 169 D HN 0.286 nan 8.370 nan 0.000 0.484 170 P HA -0.133 nan 4.420 nan 0.000 0.219 170 P C 0.250 177.287 177.300 -0.439 0.000 1.146 170 P CA 1.367 63.738 63.100 -1.216 0.000 0.808 170 P CB 0.113 31.165 31.700 -1.080 0.000 0.779 171 H N -2.252 116.667 119.070 -0.252 0.000 2.465 171 H HA 0.153 4.711 4.556 0.003 0.000 0.289 171 H C 2.166 177.484 175.328 -0.016 0.000 1.022 171 H CA 0.684 56.674 56.048 -0.096 0.000 1.340 171 H CB -0.214 29.504 29.762 -0.074 0.000 1.437 171 H HN 0.137 nan 8.280 nan 0.000 0.539 172 G N -0.181 108.689 108.800 0.116 0.000 2.453 172 G HA2 -0.090 3.872 3.960 0.003 0.000 0.215 172 G HA3 -0.090 3.872 3.960 0.003 0.000 0.215 172 G C 1.586 176.592 174.900 0.176 0.000 1.147 172 G CA 0.558 45.743 45.100 0.142 0.000 0.802 172 G HN 0.399 nan 8.290 nan 0.000 0.535 173 G N -0.038 108.878 108.800 0.192 0.000 3.383 173 G HA2 0.340 4.302 3.960 0.003 0.000 0.251 173 G HA3 0.340 4.302 3.960 0.003 0.000 0.251 173 G C 0.519 175.662 174.900 0.406 0.000 1.203 173 G CA -0.574 44.709 45.100 0.305 0.000 0.852 173 G HN 0.133 nan 8.290 nan 0.000 0.531 174 M N 0.713 120.501 119.600 0.313 0.000 2.405 174 M HA -0.216 4.266 4.480 0.003 0.000 0.181 174 M C 0.888 177.471 176.300 0.472 0.000 0.878 174 M CA 0.137 55.629 55.300 0.319 0.000 0.537 174 M CB -1.381 31.376 32.600 0.261 0.000 1.090 174 M HN 0.409 nan 8.290 nan 0.000 0.874 175 H N -1.769 117.427 119.070 0.210 0.000 2.457 175 H HA 0.026 4.584 4.556 0.003 0.000 0.294 175 H C 1.869 177.314 175.328 0.194 0.000 1.064 175 H CA 1.725 57.904 56.048 0.218 0.000 1.330 175 H CB 0.146 29.974 29.762 0.111 0.000 1.395 175 H HN 0.627 nan 8.280 nan 0.000 0.541 176 S N 0.032 115.888 115.700 0.260 0.000 2.382 176 S HA -0.073 4.399 4.470 0.003 0.000 0.228 176 S C 1.922 176.571 174.600 0.080 0.000 1.027 176 S CA 0.797 59.085 58.200 0.147 0.000 0.991 176 S CB -0.146 63.115 63.200 0.103 0.000 0.823 176 S HN 0.318 nan 8.310 nan 0.000 0.469 177 L N -1.190 120.058 121.223 0.042 0.000 2.599 177 L HA 0.137 4.479 4.340 0.003 0.000 0.230 177 L C 0.720 177.352 176.870 -0.398 0.000 1.141 177 L CA 0.392 55.123 54.840 -0.182 0.000 0.877 177 L CB -0.110 41.798 42.059 -0.251 0.000 1.009 177 L HN 0.398 nan 8.230 nan 0.000 0.447 178 W N -2.106 119.239 121.300 0.075 0.000 2.055 178 W HA 0.172 4.834 4.660 0.003 0.000 0.293 178 W C 1.003 177.560 176.519 0.065 0.000 0.886 178 W CA -0.429 56.957 57.345 0.068 0.000 1.384 178 W CB 0.589 30.062 29.460 0.021 0.000 1.068 178 W HN -0.269 nan 8.180 nan 0.000 0.513 179 T N 0.773 115.466 114.554 0.232 0.000 2.930 179 T HA 0.049 4.401 4.350 0.003 0.000 0.306 179 T C 0.706 175.493 174.700 0.145 0.000 1.045 179 T CA 1.279 63.484 62.100 0.175 0.000 1.134 179 T CB 0.339 69.289 68.868 0.137 0.000 0.961 179 T HN 0.307 nan 8.240 nan 0.000 0.545 180 D N 1.506 121.981 120.400 0.125 0.000 2.978 180 D HA -0.151 4.491 4.640 0.003 0.000 0.205 180 D C 0.834 177.205 176.300 0.119 0.000 1.093 180 D CA 1.164 55.225 54.000 0.102 0.000 1.006 180 D CB -1.018 39.828 40.800 0.076 0.000 1.116 180 D HN 0.345 nan 8.370 nan 0.000 0.419 181 V N -0.453 119.571 119.914 0.184 0.000 3.523 181 V HA 0.228 4.350 4.120 0.003 0.000 0.255 181 V C 1.033 177.248 176.094 0.201 0.000 1.226 181 V CA 0.277 62.708 62.300 0.218 0.000 1.092 181 V CB 0.255 32.319 31.823 0.401 0.000 0.817 181 V HN 0.133 nan 8.190 nan 0.000 0.458 182 L N 0.530 121.859 121.223 0.176 0.000 2.399 182 L HA 0.670 5.012 4.340 0.003 0.000 0.265 182 L C 0.556 177.465 176.870 0.065 0.000 1.089 182 L CA -0.461 54.435 54.840 0.094 0.000 0.802 182 L CB 1.067 43.107 42.059 -0.033 0.000 1.180 182 L HN 0.167 nan 8.230 nan 0.000 0.454 183 A N 1.556 124.401 122.820 0.042 0.000 2.425 183 A HA 0.528 4.850 4.320 0.003 0.000 0.249 183 A C 0.202 177.820 177.584 0.057 0.000 1.084 183 A CA -0.230 51.827 52.037 0.033 0.000 0.781 183 A CB 0.337 19.342 19.000 0.008 0.000 1.019 183 A HN 0.765 nan 8.150 nan 0.000 0.490 184 A N 3.303 126.157 122.820 0.056 0.000 2.343 184 A HA 0.521 4.843 4.320 0.003 0.000 0.305 184 A C 0.308 177.910 177.584 0.029 0.000 1.308 184 A CA -0.466 51.622 52.037 0.086 0.000 0.949 184 A CB -0.010 19.033 19.000 0.073 0.000 1.148 184 A HN 0.819 nan 8.150 nan 0.000 0.545 185 Q N 0.685 120.510 119.800 0.042 0.000 2.194 185 Q HA 0.460 4.802 4.340 0.003 0.000 0.245 185 Q C -0.093 175.757 176.000 -0.250 0.000 0.993 185 Q CA -0.720 54.984 55.803 -0.166 0.000 0.930 185 Q CB 1.762 30.316 28.738 -0.307 0.000 1.238 185 Q HN 0.695 nan 8.270 nan 0.000 0.486 186 V N 0.601 120.257 119.914 -0.430 0.000 2.439 186 V HA 0.520 4.642 4.120 0.003 0.000 0.282 186 V C -1.376 174.403 176.094 -0.524 0.000 1.039 186 V CA -0.339 61.710 62.300 -0.418 0.000 0.913 186 V CB 0.106 31.585 31.823 -0.572 0.000 0.983 186 V HN 0.522 nan 8.190 nan 0.000 0.460 187 F N 5.556 125.421 119.950 -0.141 0.000 2.467 187 F HA 0.802 5.331 4.527 0.003 0.000 0.336 187 F C 0.709 176.459 175.800 -0.085 0.000 1.123 187 F CA -0.093 57.864 58.000 -0.072 0.000 0.964 187 F CB 1.798 40.775 39.000 -0.039 0.000 1.136 187 F HN 0.811 nan 8.300 nan 0.000 0.447 188 A N 4.708 127.584 122.820 0.094 0.000 2.271 188 A HA 0.746 5.068 4.320 0.003 0.000 0.288 188 A C -2.479 175.265 177.584 0.267 0.000 1.094 188 A CA -1.698 50.391 52.037 0.087 0.000 0.828 188 A CB 0.099 19.127 19.000 0.047 0.000 1.091 188 A HN 0.453 nan 8.150 nan 0.000 0.493 189 P HA 0.140 nan 4.420 nan 0.000 0.271 189 P C -0.515 176.967 177.300 0.304 0.000 1.244 189 P CA -0.236 63.013 63.100 0.249 0.000 0.793 189 P CB 0.265 32.111 31.700 0.244 0.000 0.984 190 Q N 0.999 120.873 119.800 0.122 0.000 2.269 190 Q HA 0.056 4.398 4.340 0.003 0.000 0.300 190 Q C -0.671 175.161 176.000 -0.281 0.000 1.070 190 Q CA 0.384 56.158 55.803 -0.049 0.000 0.957 190 Q CB -0.305 28.388 28.738 -0.075 0.000 1.131 190 Q HN 0.198 nan 8.270 nan 0.000 0.377 191 V N 7.778 127.275 119.914 -0.695 0.000 2.585 191 V HA 0.289 4.411 4.120 0.003 0.000 0.296 191 V C -2.097 173.454 176.094 -0.905 0.000 1.035 191 V CA -1.586 59.894 62.300 -1.367 0.000 1.084 191 V CB 0.608 31.212 31.823 -2.031 0.000 0.953 191 V HN 0.923 nan 8.190 nan 0.000 0.483 192 P HA 0.249 nan 4.420 nan 0.000 0.272 192 P C 0.319 177.528 177.300 -0.151 0.000 1.240 192 P CA -0.265 62.628 63.100 -0.345 0.000 0.791 192 P CB 0.555 32.138 31.700 -0.195 0.000 0.978 193 R N 0.320 120.803 120.500 -0.028 0.000 2.057 193 R HA -0.035 4.306 4.340 0.003 0.000 0.229 193 R C -0.097 176.302 176.300 0.165 0.000 1.136 193 R CA 1.182 57.328 56.100 0.077 0.000 0.952 193 R CB -0.326 29.997 30.300 0.038 0.000 0.848 193 R HN 0.488 nan 8.270 nan 0.000 0.430 194 D N -0.159 120.314 120.400 0.122 0.000 2.341 194 D HA -0.023 4.619 4.640 0.003 0.000 0.245 194 D C -0.997 175.418 176.300 0.191 0.000 1.106 194 D CA -0.018 54.060 54.000 0.129 0.000 0.905 194 D CB 0.472 41.316 40.800 0.073 0.000 1.202 194 D HN 0.146 nan 8.370 nan 0.000 0.426 195 Y N 1.426 121.712 120.300 -0.024 0.000 2.465 195 Y HA 0.135 4.687 4.550 0.003 0.000 0.331 195 Y C -0.232 175.651 175.900 -0.029 0.000 1.102 195 Y CA 0.186 58.154 58.100 -0.221 0.000 1.358 195 Y CB 0.598 38.858 38.460 -0.333 0.000 1.213 195 Y HN 0.149 nan 8.280 nan 0.000 0.525 196 D N 9.110 129.145 120.400 -0.608 0.000 2.476 196 D HA 0.254 4.896 4.640 0.003 0.000 0.251 196 D C -2.057 173.944 176.300 -0.499 0.000 1.291 196 D CA -2.433 51.346 54.000 -0.368 0.000 0.939 196 D CB 1.848 42.639 40.800 -0.015 0.000 1.221 196 D HN 0.279 nan 8.370 nan 0.000 0.567 197 P HA -0.149 nan 4.420 nan 0.000 0.218 197 P C 1.075 178.374 177.300 -0.002 0.000 1.146 197 P CA 0.796 63.762 63.100 -0.223 0.000 0.813 197 P CB 0.279 31.971 31.700 -0.013 0.000 0.778 198 A N -1.019 121.808 122.820 0.012 0.000 1.969 198 A HA -0.201 4.120 4.320 0.003 0.000 0.218 198 A C 2.309 179.954 177.584 0.102 0.000 1.169 198 A CA 1.174 53.246 52.037 0.059 0.000 0.635 198 A CB -1.714 17.316 19.000 0.050 0.000 0.810 198 A HN 0.168 nan 8.150 nan 0.000 0.445 199 Y N 1.101 121.434 120.300 0.055 0.000 2.163 199 Y HA -0.176 4.375 4.550 0.003 0.000 0.288 199 Y C 2.683 178.692 175.900 0.182 0.000 1.136 199 Y CA 1.908 60.067 58.100 0.099 0.000 1.147 199 Y CB -0.298 38.195 38.460 0.055 0.000 0.987 199 Y HN 0.295 nan 8.280 nan 0.000 0.509 200 S N 0.464 116.353 115.700 0.315 0.000 2.382 200 S HA -0.205 4.267 4.470 0.003 0.000 0.228 200 S C 2.241 176.936 174.600 0.159 0.000 1.027 200 S CA 1.025 59.394 58.200 0.282 0.000 0.991 200 S CB -0.797 62.636 63.200 0.387 0.000 0.823 200 S HN 0.644 nan 8.310 nan 0.000 0.469 201 A N 1.443 124.333 122.820 0.117 0.000 1.933 201 A HA 0.097 4.419 4.320 0.003 0.000 0.218 201 A C 2.309 179.914 177.584 0.035 0.000 1.175 201 A CA 1.708 53.795 52.037 0.084 0.000 0.628 201 A CB -0.919 18.124 19.000 0.071 0.000 0.814 201 A HN 0.524 nan 8.150 nan 0.000 0.444 202 A N -1.726 121.083 122.820 -0.019 0.000 1.970 202 A HA 0.112 4.434 4.320 0.003 0.000 0.216 202 A C 1.968 179.488 177.584 -0.107 0.000 1.170 202 A CA 1.220 53.213 52.037 -0.074 0.000 0.645 202 A CB -0.603 18.333 19.000 -0.106 0.000 0.816 202 A HN 0.554 nan 8.150 nan 0.000 0.447 203 F N 0.897 120.673 119.950 -0.290 0.000 2.102 203 F HA -0.161 4.368 4.527 0.003 0.000 0.298 203 F C 2.226 177.932 175.800 -0.157 0.000 1.105 203 F CA 2.156 60.013 58.000 -0.239 0.000 1.239 203 F CB -0.171 38.700 39.000 -0.214 0.000 0.991 203 F HN 0.431 nan 8.300 nan 0.000 0.474 204 E N 0.011 120.305 120.200 0.157 0.000 2.051 204 E HA -0.230 4.122 4.350 0.003 0.000 0.192 204 E C 2.271 178.772 176.600 -0.166 0.000 0.991 204 E CA 1.113 57.516 56.400 0.005 0.000 0.799 204 E CB -0.347 29.397 29.700 0.073 0.000 0.748 204 E HN 0.434 nan 8.360 nan 0.000 0.449 205 A N 0.870 123.634 122.820 -0.093 0.000 1.933 205 A HA -0.259 4.062 4.320 0.003 0.000 0.218 205 A C 2.128 179.625 177.584 -0.145 0.000 1.175 205 A CA 1.759 53.736 52.037 -0.100 0.000 0.628 205 A CB -0.587 18.382 19.000 -0.052 0.000 0.814 205 A HN 0.431 nan 8.150 nan 0.000 0.444 206 Q N -0.885 118.812 119.800 -0.171 0.000 2.049 206 Q HA -0.109 4.233 4.340 0.003 0.000 0.198 206 Q C 2.054 177.961 176.000 -0.155 0.000 0.971 206 Q CA 1.231 56.938 55.803 -0.160 0.000 0.833 206 Q CB -0.196 28.410 28.738 -0.220 0.000 0.896 206 Q HN 0.540 nan 8.270 nan 0.000 0.434 207 L N 0.896 121.946 121.223 -0.287 0.000 2.042 207 L HA -0.141 4.201 4.340 0.003 0.000 0.210 207 L C 2.179 178.866 176.870 -0.306 0.000 1.076 207 L CA 2.385 57.055 54.840 -0.284 0.000 0.749 207 L CB -1.603 40.279 42.059 -0.293 0.000 0.893 207 L HN 0.315 nan 8.230 nan 0.000 0.432 208 A N -0.520 122.037 122.820 -0.438 0.000 1.978 208 A HA -0.257 4.065 4.320 0.003 0.000 0.220 208 A C 2.061 179.543 177.584 -0.171 0.000 1.170 208 A CA 1.681 53.513 52.037 -0.341 0.000 0.636 208 A CB -0.509 18.360 19.000 -0.218 0.000 0.810 208 A HN 0.709 nan 8.150 nan 0.000 0.448 209 Q N -1.788 117.877 119.800 -0.225 0.000 2.436 209 Q HA -0.125 4.217 4.340 0.003 0.000 0.209 209 Q C 0.619 176.298 176.000 -0.536 0.000 0.965 209 Q CA 1.300 56.888 55.803 -0.357 0.000 0.910 209 Q CB -0.053 28.418 28.738 -0.445 0.000 0.980 209 Q HN 0.950 nan 8.270 nan 0.000 0.491 210 H N -2.203 116.788 119.070 -0.132 0.000 3.233 210 H HA 0.316 4.874 4.556 0.003 0.000 0.263 210 H C 1.399 176.647 175.328 -0.134 0.000 1.168 210 H CA 0.287 56.258 56.048 -0.128 0.000 1.159 210 H CB 0.656 30.329 29.762 -0.148 0.000 1.593 210 H HN 0.190 nan 8.280 nan 0.000 0.580 211 A N 0.704 123.495 122.820 -0.049 0.000 1.917 211 A HA -0.161 4.161 4.320 0.003 0.000 0.219 211 A C 2.513 180.027 177.584 -0.118 0.000 1.182 211 A CA 1.876 53.876 52.037 -0.062 0.000 0.633 211 A CB -1.095 17.922 19.000 0.029 0.000 0.819 211 A HN 0.499 nan 8.150 nan 0.000 0.448 212 G N -0.259 108.481 108.800 -0.100 0.000 2.598 212 G HA2 -0.030 3.932 3.960 0.003 0.000 0.215 212 G HA3 -0.030 3.932 3.960 0.003 0.000 0.215 212 G C 1.153 175.966 174.900 -0.145 0.000 1.131 212 G CA 0.970 45.990 45.100 -0.133 0.000 0.785 212 G HN 0.839 nan 8.290 nan 0.000 0.539 213 E N -0.649 119.485 120.200 -0.110 0.000 2.498 213 E HA 0.261 4.613 4.350 0.003 0.000 0.203 213 E C 0.265 176.788 176.600 -0.129 0.000 1.013 213 E CA -0.425 55.916 56.400 -0.098 0.000 0.927 213 E CB 0.065 29.743 29.700 -0.037 0.000 1.012 213 E HN 0.222 nan 8.360 nan 0.000 0.482 214 L N 1.416 122.537 121.223 -0.171 0.000 2.275 214 L HA 0.446 4.788 4.340 0.003 0.000 0.288 214 L C 0.894 177.612 176.870 -0.254 0.000 1.046 214 L CA -0.398 54.338 54.840 -0.173 0.000 0.805 214 L CB 1.662 43.637 42.059 -0.140 0.000 1.193 214 L HN 0.147 nan 8.230 nan 0.000 0.426 215 A N 3.335 126.072 122.820 -0.138 0.000 1.943 215 A HA 0.592 4.914 4.320 0.003 0.000 0.213 215 A C 0.778 178.464 177.584 0.169 0.000 1.181 215 A CA 1.027 53.072 52.037 0.014 0.000 0.653 215 A CB 0.118 19.210 19.000 0.152 0.000 0.833 215 A HN 0.734 nan 8.150 nan 0.000 0.451 216 A N -1.882 120.953 122.820 0.025 0.000 2.608 216 A HA 0.556 4.878 4.320 0.003 0.000 0.292 216 A C -1.285 176.256 177.584 -0.071 0.000 1.066 216 A CA -0.369 51.669 52.037 0.003 0.000 0.676 216 A CB 0.644 19.633 19.000 -0.018 0.000 1.277 216 A HN 0.421 nan 8.150 nan 0.000 0.413 217 V N 0.980 120.850 119.914 -0.073 0.000 2.407 217 V HA 0.575 4.697 4.120 0.003 0.000 0.278 217 V C -0.255 175.750 176.094 -0.148 0.000 1.037 217 V CA -0.411 61.832 62.300 -0.095 0.000 0.900 217 V CB 1.325 33.132 31.823 -0.027 0.000 0.983 217 V HN 1.022 nan 8.190 nan 0.000 0.459 218 V N 7.622 127.421 119.914 -0.193 0.000 2.444 218 V HA 0.827 4.949 4.120 0.003 0.000 0.294 218 V C -0.603 175.381 176.094 -0.184 0.000 1.022 218 V CA -0.166 62.014 62.300 -0.200 0.000 0.850 218 V CB 1.826 33.464 31.823 -0.309 0.000 0.992 218 V HN 0.822 nan 8.190 nan 0.000 0.426 219 V N 2.957 122.859 119.914 -0.020 0.000 3.114 219 V HA 0.714 4.836 4.120 0.003 0.000 0.308 219 V C -0.668 175.598 176.094 0.288 0.000 1.168 219 V CA -1.019 61.303 62.300 0.035 0.000 1.015 219 V CB 2.138 33.657 31.823 -0.506 0.000 1.050 219 V HN 0.851 nan 8.190 nan 0.000 0.433 220 E N 3.862 124.277 120.200 0.358 0.000 2.223 220 E HA 0.411 4.762 4.350 0.003 0.000 0.282 220 E C -2.573 174.188 176.600 0.268 0.000 1.046 220 E CA -1.672 54.867 56.400 0.231 0.000 0.857 220 E CB 0.992 30.782 29.700 0.152 0.000 1.055 220 E HN 0.667 nan 8.360 nan 0.000 0.409 221 P HA -0.009 nan 4.420 nan 0.000 0.280 221 P C 0.675 177.950 177.300 -0.041 0.000 1.244 221 P CA -0.109 62.937 63.100 -0.090 0.000 0.784 221 P CB 1.353 32.657 31.700 -0.660 0.000 0.913 222 V N 1.147 120.946 119.914 -0.193 0.000 0.497 222 V HA -0.289 3.833 4.120 0.003 0.000 0.092 222 V C 0.868 176.644 176.094 -0.530 0.000 2.331 222 V CA 2.257 64.178 62.300 -0.631 0.000 3.613 222 V CB -2.062 29.578 31.823 -0.306 0.000 0.899 222 V HN 0.472 nan 8.190 nan 0.000 0.942 223 V N 1.503 121.326 119.914 -0.152 0.000 2.417 223 V HA 0.459 4.581 4.120 0.003 0.000 0.291 223 V C -0.033 176.136 176.094 0.126 0.000 1.024 223 V CA -0.283 62.058 62.300 0.068 0.000 0.861 223 V CB 1.536 33.417 31.823 0.096 0.000 0.985 223 V HN 0.540 nan 8.190 nan 0.000 0.436 224 Q N 2.789 122.701 119.800 0.188 0.000 2.360 224 Q HA 0.417 4.759 4.340 0.003 0.000 0.254 224 Q C 0.995 177.076 176.000 0.136 0.000 0.975 224 Q CA 0.022 55.920 55.803 0.158 0.000 0.912 224 Q CB 1.914 30.754 28.738 0.170 0.000 1.212 224 Q HN 0.944 nan 8.270 nan 0.000 0.452 225 G N 1.650 110.489 108.800 0.064 0.000 2.670 225 G HA2 -0.098 3.864 3.960 0.003 0.000 0.215 225 G HA3 -0.098 3.864 3.960 0.003 0.000 0.215 225 G C 1.034 176.018 174.900 0.140 0.000 1.359 225 G CA 0.650 45.808 45.100 0.097 0.000 0.897 225 G HN 0.650 nan 8.290 nan 0.000 0.552 226 A N 0.321 123.158 122.820 0.028 0.000 2.168 226 A HA 0.276 4.598 4.320 0.003 0.000 0.215 226 A C 2.398 180.003 177.584 0.034 0.000 1.152 226 A CA 1.691 53.652 52.037 -0.126 0.000 0.716 226 A CB -0.581 18.143 19.000 -0.461 0.000 0.794 226 A HN 0.612 nan 8.150 nan 0.000 0.465 227 G N -1.509 107.389 108.800 0.162 0.000 2.650 227 G HA2 0.336 4.298 3.960 0.003 0.000 0.214 227 G HA3 0.336 4.298 3.960 0.003 0.000 0.214 227 G C 0.896 175.923 174.900 0.211 0.000 1.136 227 G CA 0.913 46.135 45.100 0.202 0.000 0.789 227 G HN 1.462 nan 8.290 nan 0.000 0.536 228 G N -0.912 108.037 108.800 0.248 0.000 3.800 228 G HA2 -0.001 3.961 3.960 0.003 0.000 0.221 228 G HA3 -0.001 3.961 3.960 0.003 0.000 0.221 228 G C 0.540 175.433 174.900 -0.012 0.000 0.893 228 G CA -0.023 45.137 45.100 0.099 0.000 0.986 228 G HN 0.245 nan 8.290 nan 0.000 0.719 229 M N -0.235 119.412 119.600 0.077 0.000 2.302 229 M HA -0.145 4.337 4.480 0.003 0.000 0.200 229 M C 0.466 176.663 176.300 -0.172 0.000 0.366 229 M CA 0.894 56.198 55.300 0.005 0.000 0.440 229 M CB -2.046 30.485 32.600 -0.114 0.000 1.475 229 M HN 0.589 nan 8.290 nan 0.000 0.905 230 R N -0.434 120.017 120.500 -0.082 0.000 2.457 230 R HA 0.721 5.063 4.340 0.003 0.000 0.284 230 R C -0.228 176.112 176.300 0.067 0.000 1.024 230 R CA -0.418 55.584 56.100 -0.162 0.000 1.025 230 R CB 0.945 31.195 30.300 -0.083 0.000 1.063 230 R HN -0.024 nan 8.270 nan 0.000 0.493 231 F N 1.171 121.087 119.950 -0.057 0.000 2.480 231 F HA 0.349 4.878 4.527 0.003 0.000 0.329 231 F C 0.325 176.068 175.800 -0.094 0.000 1.091 231 F CA -1.373 56.556 58.000 -0.118 0.000 0.972 231 F CB 1.306 40.247 39.000 -0.099 0.000 1.150 231 F HN 0.574 nan 8.300 nan 0.000 0.467 232 H N -2.197 116.941 119.070 0.113 0.000 2.895 232 H HA 0.380 4.938 4.556 0.003 0.000 0.373 232 H C -1.021 174.390 175.328 0.137 0.000 1.174 232 H CA -1.206 54.880 56.048 0.062 0.000 1.144 232 H CB 1.050 30.726 29.762 -0.143 0.000 1.793 232 H HN 0.446 nan 8.280 nan 0.000 0.551 233 D N 2.094 122.702 120.400 0.348 0.000 2.487 233 D HA -0.013 4.629 4.640 0.003 0.000 0.243 233 D C -1.398 175.034 176.300 0.220 0.000 1.154 233 D CA -1.218 52.889 54.000 0.178 0.000 0.876 233 D CB 1.010 41.864 40.800 0.090 0.000 1.161 233 D HN 0.445 nan 8.370 nan 0.000 0.478 234 P HA -0.100 nan 4.420 nan 0.000 0.223 234 P C 1.251 178.623 177.300 0.121 0.000 1.144 234 P CA 0.665 63.833 63.100 0.113 0.000 0.783 234 P CB 0.120 31.850 31.700 0.050 0.000 0.771 235 R N -1.037 119.438 120.500 -0.041 0.000 2.120 235 R HA -0.172 4.170 4.340 0.003 0.000 0.234 235 R C 1.677 177.988 176.300 0.019 0.000 1.123 235 R CA 1.246 57.231 56.100 -0.191 0.000 0.975 235 R CB -0.649 29.233 30.300 -0.696 0.000 0.866 235 R HN 0.134 nan 8.270 nan 0.000 0.446 236 Y N 0.708 121.173 120.300 0.275 0.000 2.315 236 Y HA -0.208 4.344 4.550 0.003 0.000 0.288 236 Y C 1.938 178.028 175.900 0.317 0.000 1.154 236 Y CA 1.190 59.513 58.100 0.372 0.000 1.229 236 Y CB -0.180 38.478 38.460 0.331 0.000 0.980 236 Y HN 0.087 nan 8.280 nan 0.000 0.540 237 L N -1.619 119.876 121.223 0.453 0.000 2.240 237 L HA -0.170 4.171 4.340 0.003 0.000 0.211 237 L C 2.495 179.556 176.870 0.318 0.000 1.106 237 L CA 1.009 56.086 54.840 0.396 0.000 0.793 237 L CB -0.623 41.651 42.059 0.358 0.000 0.927 237 L HN 0.338 nan 8.230 nan 0.000 0.446 238 H N 0.796 119.974 119.070 0.180 0.000 2.357 238 H HA -0.165 4.393 4.556 0.003 0.000 0.301 238 H C 1.488 176.888 175.328 0.120 0.000 1.082 238 H CA 1.833 57.951 56.048 0.117 0.000 1.342 238 H CB 0.332 30.122 29.762 0.048 0.000 1.389 238 H HN 0.310 nan 8.280 nan 0.000 0.511 239 D N 0.736 121.280 120.400 0.240 0.000 2.097 239 D HA -0.132 4.510 4.640 0.003 0.000 0.195 239 D C 2.639 178.997 176.300 0.097 0.000 0.989 239 D CA 0.589 54.710 54.000 0.202 0.000 0.827 239 D CB -0.364 40.633 40.800 0.328 0.000 0.966 239 D HN 0.358 nan 8.370 nan 0.000 0.456 240 L N 0.211 121.479 121.223 0.075 0.000 2.017 240 L HA -0.189 4.153 4.340 0.003 0.000 0.208 240 L C 2.566 179.424 176.870 -0.021 0.000 1.073 240 L CA 0.974 55.794 54.840 -0.034 0.000 0.745 240 L CB -0.300 41.726 42.059 -0.055 0.000 0.894 240 L HN -0.011 nan 8.230 nan 0.000 0.432 241 R N 0.656 121.143 120.500 -0.023 0.000 2.083 241 R HA -0.232 4.110 4.340 0.003 0.000 0.237 241 R C 1.874 178.128 176.300 -0.075 0.000 1.137 241 R CA 2.201 58.252 56.100 -0.081 0.000 0.951 241 R CB -0.634 29.603 30.300 -0.104 0.000 0.851 241 R HN 0.345 nan 8.270 nan 0.000 0.434 242 D N -0.535 119.809 120.400 -0.094 0.000 2.084 242 D HA -0.105 4.537 4.640 0.003 0.000 0.194 242 D C 1.916 178.252 176.300 0.060 0.000 0.990 242 D CA 1.766 55.741 54.000 -0.043 0.000 0.826 242 D CB -0.087 40.686 40.800 -0.046 0.000 0.971 242 D HN 0.334 nan 8.370 nan 0.000 0.453 243 I N 0.003 120.637 120.570 0.107 0.000 2.151 243 I HA -0.381 3.791 4.170 0.003 0.000 0.243 243 I C 2.492 178.750 176.117 0.235 0.000 1.080 243 I CA 0.893 62.321 61.300 0.214 0.000 1.339 243 I CB -0.265 37.839 38.000 0.175 0.000 1.039 243 I HN 0.261 nan 8.210 nan 0.000 0.409 244 C N -0.030 119.340 119.300 0.118 0.000 2.429 244 C HA -0.152 4.310 4.460 0.003 0.000 0.277 244 C C 2.964 178.018 174.990 0.106 0.000 1.262 244 C CA 0.962 60.040 59.018 0.100 0.000 1.733 244 C CB -1.155 26.594 27.740 0.015 0.000 2.010 244 C HN 0.471 nan 8.230 nan 0.000 0.483 245 R N 0.716 121.252 120.500 0.059 0.000 2.096 245 R HA -0.105 4.237 4.340 0.003 0.000 0.235 245 R C 2.310 178.637 176.300 0.045 0.000 1.127 245 R CA 1.474 57.598 56.100 0.041 0.000 0.968 245 R CB -0.266 30.034 30.300 -0.000 0.000 0.861 245 R HN 0.420 nan 8.270 nan 0.000 0.440 246 R N -1.373 119.158 120.500 0.052 0.000 2.090 246 R HA -0.059 4.283 4.340 0.003 0.000 0.228 246 R C 0.864 177.056 176.300 -0.181 0.000 1.110 246 R CA 1.339 57.404 56.100 -0.058 0.000 0.973 246 R CB 0.096 30.362 30.300 -0.058 0.000 0.869 246 R HN 0.297 nan 8.270 nan 0.000 0.440 247 Y N 0.384 120.697 120.300 0.022 0.000 2.485 247 Y HA 0.219 4.771 4.550 0.003 0.000 0.260 247 Y C -0.434 175.463 175.900 -0.005 0.000 1.173 247 Y CA -0.275 57.827 58.100 0.003 0.000 1.252 247 Y CB 0.300 38.758 38.460 -0.003 0.000 1.123 247 Y HN 0.014 nan 8.280 nan 0.000 0.524 248 E N 0.029 120.316 120.200 0.146 0.000 2.246 248 E HA -0.145 4.207 4.350 0.003 0.000 0.211 248 E C -1.290 175.406 176.600 0.159 0.000 1.278 248 E CA 0.100 56.614 56.400 0.190 0.000 0.694 248 E CB -1.427 28.369 29.700 0.160 0.000 1.166 248 E HN 0.048 nan 8.360 nan 0.000 0.370 249 V N 1.456 121.490 119.914 0.201 0.000 2.709 249 V HA 0.329 4.450 4.120 0.003 0.000 0.308 249 V C 0.094 176.314 176.094 0.210 0.000 1.062 249 V CA -0.991 61.412 62.300 0.172 0.000 0.901 249 V CB 1.771 33.623 31.823 0.048 0.000 1.003 249 V HN 0.168 nan 8.190 nan 0.000 0.425 250 L N 3.859 125.243 121.223 0.267 0.000 2.452 250 L HA 0.356 4.698 4.340 0.003 0.000 0.267 250 L C -0.238 176.593 176.870 -0.065 0.000 1.188 250 L CA 0.230 55.096 54.840 0.044 0.000 0.821 250 L CB 0.816 42.865 42.059 -0.016 0.000 1.102 250 L HN 0.571 nan 8.230 nan 0.000 0.470 251 L N 4.635 125.749 121.223 -0.182 0.000 2.305 251 L HA 0.540 4.882 4.340 0.003 0.000 0.284 251 L C -0.659 175.992 176.870 -0.366 0.000 1.013 251 L CA 0.108 54.776 54.840 -0.287 0.000 0.819 251 L CB 0.769 42.595 42.059 -0.389 0.000 1.227 251 L HN 0.375 nan 8.230 nan 0.000 0.417 252 I N 5.775 126.173 120.570 -0.287 0.000 2.362 252 I HA 0.318 4.489 4.170 0.003 0.000 0.289 252 I C -0.767 175.309 176.117 -0.069 0.000 0.994 252 I CA -0.338 60.833 61.300 -0.214 0.000 1.158 252 I CB 1.059 38.970 38.000 -0.149 0.000 1.315 252 I HN 0.468 nan 8.210 nan 0.000 0.451 253 F N 4.033 123.931 119.950 -0.086 0.000 2.404 253 F HA 0.202 4.731 4.527 0.003 0.000 0.354 253 F C 0.519 176.304 175.800 -0.025 0.000 1.122 253 F CA -0.860 57.115 58.000 -0.043 0.000 1.080 253 F CB 1.345 40.324 39.000 -0.035 0.000 1.131 253 F HN 0.448 nan 8.300 nan 0.000 0.471 254 D N 4.567 125.107 120.400 0.234 0.000 2.393 254 D HA 0.053 4.694 4.640 0.003 0.000 0.232 254 D C 0.210 176.560 176.300 0.083 0.000 1.192 254 D CA 0.151 54.246 54.000 0.158 0.000 0.882 254 D CB 0.629 41.600 40.800 0.285 0.000 1.038 254 D HN 0.554 nan 8.370 nan 0.000 0.499 255 E N 3.490 123.719 120.200 0.047 0.000 2.496 255 E HA 0.096 4.448 4.350 0.003 0.000 0.200 255 E C 1.542 178.143 176.600 0.002 0.000 1.016 255 E CA -0.200 56.209 56.400 0.015 0.000 0.962 255 E CB 0.577 30.301 29.700 0.041 0.000 1.071 255 E HN 0.608 nan 8.360 nan 0.000 0.457 256 I N 0.951 121.511 120.570 -0.017 0.000 2.361 256 I HA -0.259 3.913 4.170 0.003 0.000 0.251 256 I C 2.316 178.346 176.117 -0.145 0.000 1.133 256 I CA 1.349 62.636 61.300 -0.021 0.000 1.413 256 I CB 0.022 38.011 38.000 -0.019 0.000 1.073 256 I HN 0.107 nan 8.210 nan 0.000 0.424 257 A N -0.096 122.527 122.820 -0.328 0.000 2.014 257 A HA -0.050 4.272 4.320 0.003 0.000 0.210 257 A C 2.261 179.571 177.584 -0.456 0.000 1.188 257 A CA 1.143 52.758 52.037 -0.704 0.000 0.731 257 A CB -0.660 17.606 19.000 -1.224 0.000 0.858 257 A HN 0.426 nan 8.150 nan 0.000 0.464 258 T N -2.372 112.044 114.554 -0.230 0.000 3.081 258 T HA 0.306 4.658 4.350 0.003 0.000 0.255 258 T C 1.123 175.806 174.700 -0.030 0.000 1.113 258 T CA 0.456 62.500 62.100 -0.094 0.000 1.082 258 T CB -0.406 68.423 68.868 -0.065 0.000 0.939 258 T HN 0.402 nan 8.240 nan 0.000 0.506 259 G N 0.646 109.449 108.800 0.005 0.000 2.664 259 G HA2 0.378 4.340 3.960 0.003 0.000 0.242 259 G HA3 0.378 4.340 3.960 0.003 0.000 0.242 259 G C -0.295 174.492 174.900 -0.188 0.000 1.225 259 G CA -0.772 44.265 45.100 -0.105 0.000 0.849 259 G HN 0.396 nan 8.290 nan 0.000 0.581 260 F N -0.807 118.822 119.950 -0.536 0.000 2.985 260 F HA -0.197 4.333 4.527 0.004 0.000 0.303 260 F C 1.763 177.357 175.800 -0.344 0.000 0.976 260 F CA 1.403 59.104 58.000 -0.497 0.000 1.013 260 F CB -1.541 37.337 39.000 -0.203 0.000 1.060 260 F HN 1.651 nan 8.300 nan 0.000 0.780 261 G N -0.999 107.523 108.800 -0.465 0.000 2.217 261 G HA2 -0.445 3.517 3.960 0.003 0.000 0.246 261 G HA3 -0.445 3.517 3.960 0.003 0.000 0.246 261 G C 0.988 175.811 174.900 -0.127 0.000 0.990 261 G CA 0.647 45.524 45.100 -0.372 0.000 0.627 261 G HN 0.659 nan 8.290 nan 0.000 0.522 262 R N 1.450 121.979 120.500 0.049 0.000 2.105 262 R HA -0.040 4.302 4.340 0.003 0.000 0.239 262 R C 2.687 179.045 176.300 0.096 0.000 1.135 262 R CA 2.964 59.172 56.100 0.180 0.000 0.967 262 R CB -0.904 29.585 30.300 0.316 0.000 0.861 262 R HN 0.755 nan 8.270 nan 0.000 0.442 263 T N -4.098 110.492 114.554 0.060 0.000 3.107 263 T HA 0.313 4.665 4.350 0.003 0.000 0.249 263 T C 1.244 176.015 174.700 0.119 0.000 1.096 263 T CA 0.391 62.522 62.100 0.050 0.000 1.012 263 T CB 0.478 69.380 68.868 0.056 0.000 0.977 263 T HN 0.418 nan 8.240 nan 0.000 0.527 264 G N 0.546 109.409 108.800 0.104 0.000 2.238 264 G HA2 0.087 4.049 3.960 0.003 0.000 0.217 264 G HA3 0.087 4.049 3.960 0.003 0.000 0.217 264 G C 0.224 175.238 174.900 0.190 0.000 0.996 264 G CA -0.279 44.912 45.100 0.150 0.000 0.632 264 G HN 1.132 nan 8.290 nan 0.000 0.503 265 A N -0.559 122.277 122.820 0.027 0.000 2.313 265 A HA 0.867 5.189 4.320 0.003 0.000 0.323 265 A C 1.178 178.624 177.584 -0.229 0.000 1.133 265 A CA 0.239 52.201 52.037 -0.125 0.000 0.847 265 A CB 1.127 19.719 19.000 -0.680 0.000 1.308 265 A HN 1.026 nan 8.150 nan 0.000 0.475 266 L N -0.070 120.950 121.223 -0.338 0.000 2.017 266 L HA 0.170 4.512 4.340 0.003 0.000 0.208 266 L C -0.136 176.082 176.870 -1.087 0.000 1.073 266 L CA 1.960 56.273 54.840 -0.879 0.000 0.745 266 L CB -0.504 41.139 42.059 -0.694 0.000 0.894 266 L HN 0.582 nan 8.230 nan 0.000 0.432 267 F N -2.441 117.354 119.950 -0.259 0.000 2.551 267 F HA 0.499 5.027 4.527 0.003 0.000 0.316 267 F C 1.109 176.812 175.800 -0.161 0.000 1.089 267 F CA -0.359 57.504 58.000 -0.227 0.000 0.915 267 F CB 1.254 40.122 39.000 -0.219 0.000 1.186 267 F HN -0.141 nan 8.300 nan 0.000 0.456 268 A N 2.098 124.948 122.820 0.051 0.000 1.940 268 A HA -0.115 4.207 4.320 0.003 0.000 0.219 268 A C 2.246 179.863 177.584 0.054 0.000 1.176 268 A CA 2.057 54.139 52.037 0.074 0.000 0.631 268 A CB -1.084 17.928 19.000 0.020 0.000 0.814 268 A HN 0.920 nan 8.150 nan 0.000 0.446 269 A N 0.183 123.007 122.820 0.007 0.000 1.986 269 A HA -0.241 4.081 4.320 0.003 0.000 0.220 269 A C 1.631 179.271 177.584 0.092 0.000 1.171 269 A CA 1.980 54.042 52.037 0.042 0.000 0.640 269 A CB -0.623 18.498 19.000 0.202 0.000 0.811 269 A HN 0.498 nan 8.150 nan 0.000 0.451 270 D N -0.807 119.619 120.400 0.043 0.000 2.218 270 D HA -0.130 4.512 4.640 0.003 0.000 0.204 270 D C 1.434 177.705 176.300 -0.048 0.000 0.976 270 D CA 1.357 55.353 54.000 -0.007 0.000 0.853 270 D CB -0.569 40.203 40.800 -0.047 0.000 0.939 270 D HN 0.751 nan 8.370 nan 0.000 0.481 271 H N -0.196 118.892 119.070 0.029 0.000 2.489 271 H HA 0.071 4.629 4.556 0.003 0.000 0.293 271 H C 1.659 176.997 175.328 0.017 0.000 1.066 271 H CA 1.288 57.339 56.048 0.006 0.000 1.305 271 H CB 0.251 29.996 29.762 -0.029 0.000 1.386 271 H HN 0.144 nan 8.280 nan 0.000 0.551 272 A N -0.536 122.374 122.820 0.151 0.000 2.343 272 A HA 0.392 4.713 4.320 0.003 0.000 0.223 272 A C 1.860 179.528 177.584 0.139 0.000 1.214 272 A CA 0.523 52.643 52.037 0.139 0.000 0.900 272 A CB -0.062 19.050 19.000 0.187 0.000 0.942 272 A HN 0.424 nan 8.150 nan 0.000 0.507 273 G N -0.055 108.813 108.800 0.114 0.000 2.203 273 G HA2 -0.146 3.816 3.960 0.003 0.000 0.263 273 G HA3 -0.146 3.816 3.960 0.003 0.000 0.263 273 G C 0.419 175.398 174.900 0.131 0.000 1.012 273 G CA 0.764 45.927 45.100 0.104 0.000 0.749 273 G HN 1.790 nan 8.290 nan 0.000 0.512 274 V N -2.344 117.675 119.914 0.174 0.000 2.539 274 V HA 0.886 5.008 4.120 0.003 0.000 0.292 274 V C 0.300 176.485 176.094 0.153 0.000 1.045 274 V CA -0.325 62.079 62.300 0.174 0.000 0.945 274 V CB 1.963 33.928 31.823 0.237 0.000 0.993 274 V HN 0.507 nan 8.190 nan 0.000 0.464 275 S N 6.313 122.039 115.700 0.043 0.000 2.462 275 S HA 0.631 5.103 4.470 0.003 0.000 0.294 275 S C -2.381 172.113 174.600 -0.177 0.000 1.144 275 S CA -0.889 57.292 58.200 -0.031 0.000 1.088 275 S CB 1.349 64.514 63.200 -0.058 0.000 1.009 275 S HN 0.927 nan 8.310 nan 0.000 0.484 276 P HA 0.326 nan 4.420 nan 0.000 0.278 276 P C -0.186 176.911 177.300 -0.339 0.000 1.266 276 P CA -0.484 62.284 63.100 -0.553 0.000 0.807 276 P CB 0.845 32.098 31.700 -0.744 0.000 1.094 277 D N -0.354 119.844 120.400 -0.337 0.000 2.213 277 D HA 0.094 4.736 4.640 0.003 0.000 0.205 277 D C 0.705 176.838 176.300 -0.278 0.000 0.961 277 D CA 1.297 55.120 54.000 -0.295 0.000 0.853 277 D CB 0.382 40.986 40.800 -0.327 0.000 0.967 277 D HN 0.330 nan 8.370 nan 0.000 0.496 278 I N 0.251 120.660 120.570 -0.268 0.000 2.769 278 I HA 0.346 4.518 4.170 0.003 0.000 0.298 278 I C -0.683 175.328 176.117 -0.178 0.000 1.128 278 I CA -0.673 60.498 61.300 -0.215 0.000 1.031 278 I CB 2.992 40.870 38.000 -0.203 0.000 1.235 278 I HN -0.231 nan 8.210 nan 0.000 0.423 279 M N 5.099 124.615 119.600 -0.140 0.000 2.421 279 M HA 0.570 5.051 4.480 0.003 0.000 0.287 279 M C -2.025 174.227 176.300 -0.079 0.000 1.183 279 M CA -0.228 55.016 55.300 -0.093 0.000 0.916 279 M CB 1.882 34.404 32.600 -0.130 0.000 1.701 279 M HN 0.715 nan 8.290 nan 0.000 0.470 280 C N 3.966 123.248 119.300 -0.031 0.000 2.382 280 C HA 0.894 5.356 4.460 0.003 0.000 0.327 280 C C -0.112 174.886 174.990 0.012 0.000 1.250 280 C CA -0.737 58.278 59.018 -0.006 0.000 1.707 280 C CB 0.858 28.610 27.740 0.019 0.000 2.272 280 C HN 0.687 nan 8.230 nan 0.000 0.506 281 V N 0.892 120.840 119.914 0.056 0.000 3.102 281 V HA 1.122 5.244 4.120 0.003 0.000 0.312 281 V C -0.057 176.159 176.094 0.203 0.000 1.135 281 V CA 0.275 62.667 62.300 0.154 0.000 1.022 281 V CB 1.407 33.367 31.823 0.229 0.000 1.056 281 V HN 1.279 nan 8.190 nan 0.000 0.436 282 G N 0.115 109.069 108.800 0.255 0.000 2.512 282 G HA2 0.392 4.354 3.960 0.003 0.000 0.186 282 G HA3 0.392 4.354 3.960 0.003 0.000 0.186 282 G C -0.125 174.870 174.900 0.160 0.000 1.189 282 G CA 0.155 45.365 45.100 0.183 0.000 0.994 282 G HN 0.941 nan 8.290 nan 0.000 0.506 283 K N -1.091 119.371 120.400 0.104 0.000 10.351 283 K HA -0.396 3.926 4.320 0.003 0.000 0.513 283 K C 2.136 178.772 176.600 0.060 0.000 0.469 283 K CA 2.741 59.079 56.287 0.085 0.000 1.787 283 K CB -1.411 31.106 32.500 0.029 0.000 0.832 283 K HN 1.082 nan 8.250 nan 0.000 1.184 284 A N 0.572 123.427 122.820 0.058 0.000 2.251 284 A HA 0.103 4.425 4.320 0.003 0.000 0.209 284 A C 1.705 179.098 177.584 -0.319 0.000 1.187 284 A CA 0.702 52.701 52.037 -0.064 0.000 0.823 284 A CB -0.057 18.952 19.000 0.015 0.000 0.846 284 A HN 0.355 nan 8.150 nan 0.000 0.486 285 L N 0.817 121.855 121.223 -0.307 0.000 2.013 285 L HA -0.158 4.184 4.340 0.003 0.000 0.212 285 L C 2.278 178.945 176.870 -0.339 0.000 1.073 285 L CA 2.862 57.389 54.840 -0.521 0.000 0.753 285 L CB -0.703 41.313 42.059 -0.071 0.000 0.890 285 L HN 0.473 nan 8.230 nan 0.000 0.432 286 T N -3.624 110.840 114.554 -0.149 0.000 3.163 286 T HA 0.380 4.732 4.350 0.003 0.000 0.252 286 T C 1.308 176.003 174.700 -0.008 0.000 1.056 286 T CA 0.150 62.203 62.100 -0.078 0.000 0.947 286 T CB -0.519 68.349 68.868 -0.000 0.000 1.016 286 T HN 0.658 nan 8.240 nan 0.000 0.554 287 G N 1.062 109.830 108.800 -0.053 0.000 2.187 287 G HA2 0.024 3.986 3.960 0.003 0.000 0.261 287 G HA3 0.024 3.986 3.960 0.003 0.000 0.261 287 G C 1.022 175.978 174.900 0.094 0.000 1.000 287 G CA 0.269 45.390 45.100 0.035 0.000 0.718 287 G HN 1.867 nan 8.290 nan 0.000 0.519 288 G N -2.616 106.219 108.800 0.058 0.000 2.132 288 G HA2 -0.253 3.709 3.960 0.003 0.000 0.228 288 G HA3 -0.253 3.709 3.960 0.003 0.000 0.228 288 G C 0.647 175.544 174.900 -0.005 0.000 1.000 288 G CA 1.002 46.103 45.100 0.001 0.000 0.693 288 G HN 0.863 nan 8.290 nan 0.000 0.515 289 Y N -0.618 119.655 120.300 -0.043 0.000 2.301 289 Y HA 0.577 5.129 4.550 0.002 0.000 0.295 289 Y C 1.700 177.586 175.900 -0.022 0.000 1.126 289 Y CA 0.996 59.080 58.100 -0.026 0.000 1.154 289 Y CB 0.384 38.826 38.460 -0.031 0.000 1.075 289 Y HN 0.289 nan 8.280 nan 0.000 0.534 290 L N -1.596 119.707 121.223 0.134 0.000 2.424 290 L HA 0.349 4.691 4.340 0.003 0.000 0.258 290 L C -0.369 176.522 176.870 0.034 0.000 0.995 290 L CA -0.975 53.897 54.840 0.053 0.000 0.821 290 L CB 2.056 44.132 42.059 0.028 0.000 1.383 290 L HN -0.334 nan 8.230 nan 0.000 0.410 291 S N 1.667 117.374 115.700 0.012 0.000 2.510 291 S HA 0.586 5.058 4.470 0.003 0.000 0.279 291 S C -0.744 173.871 174.600 0.026 0.000 1.284 291 S CA -0.121 58.096 58.200 0.029 0.000 1.059 291 S CB 0.069 63.283 63.200 0.024 0.000 0.901 291 S HN 0.374 nan 8.310 nan 0.000 0.491 292 L N 4.367 125.623 121.223 0.055 0.000 2.549 292 L HA 0.815 5.157 4.340 0.003 0.000 0.259 292 L C -0.865 176.084 176.870 0.132 0.000 0.934 292 L CA -0.037 54.847 54.840 0.073 0.000 0.865 292 L CB 1.555 43.630 42.059 0.026 0.000 1.352 292 L HN 0.716 nan 8.230 nan 0.000 0.410 293 A N 3.010 125.944 122.820 0.190 0.000 2.532 293 A HA 1.076 5.398 4.320 0.003 0.000 0.290 293 A C -1.463 176.289 177.584 0.280 0.000 1.143 293 A CA -0.078 52.083 52.037 0.207 0.000 0.728 293 A CB 1.862 20.957 19.000 0.157 0.000 1.317 293 A HN 1.555 nan 8.150 nan 0.000 0.414 294 A N -0.044 122.892 122.820 0.194 0.000 2.486 294 A HA 0.792 5.114 4.320 0.003 0.000 0.300 294 A C -0.625 176.968 177.584 0.014 0.000 1.048 294 A CA -0.387 51.692 52.037 0.070 0.000 0.696 294 A CB 1.370 20.348 19.000 -0.038 0.000 1.278 294 A HN 0.955 nan 8.150 nan 0.000 0.405 295 T N 2.287 116.832 114.554 -0.015 0.000 2.792 295 T HA 0.598 4.950 4.350 0.003 0.000 0.280 295 T C -0.617 174.030 174.700 -0.088 0.000 0.990 295 T CA -0.146 61.928 62.100 -0.042 0.000 0.960 295 T CB 0.622 69.464 68.868 -0.044 0.000 0.939 295 T HN 0.413 nan 8.240 nan 0.000 0.439 296 L N 3.028 124.179 121.223 -0.120 0.000 2.330 296 L HA 0.852 5.194 4.340 0.003 0.000 0.271 296 L C 0.259 177.040 176.870 -0.147 0.000 1.013 296 L CA -0.547 54.209 54.840 -0.141 0.000 0.816 296 L CB 1.605 43.564 42.059 -0.166 0.000 1.287 296 L HN 0.961 nan 8.230 nan 0.000 0.435 297 C N -1.840 117.370 119.300 -0.149 0.000 3.291 297 C HA 0.868 5.330 4.460 0.003 0.000 0.316 297 C C 0.389 175.269 174.990 -0.184 0.000 1.391 297 C CA -0.558 58.353 59.018 -0.178 0.000 1.394 297 C CB 1.180 28.811 27.740 -0.181 0.000 1.744 297 C HN 0.967 nan 8.230 nan 0.000 0.461 298 T N -0.248 114.176 114.554 -0.215 0.000 2.813 298 T HA 0.502 4.854 4.350 0.003 0.000 0.297 298 T C 1.351 175.901 174.700 -0.250 0.000 1.036 298 T CA 0.315 62.289 62.100 -0.211 0.000 1.044 298 T CB 0.793 69.532 68.868 -0.215 0.000 0.993 298 T HN 1.914 nan 8.240 nan 0.000 0.535 299 A N 0.866 123.519 122.820 -0.279 0.000 1.892 299 A HA -0.158 4.164 4.320 0.003 0.000 0.218 299 A C 2.059 179.271 177.584 -0.619 0.000 1.188 299 A CA 2.275 54.000 52.037 -0.521 0.000 0.631 299 A CB -1.427 17.336 19.000 -0.395 0.000 0.822 299 A HN 1.025 nan 8.150 nan 0.000 0.447 300 D N -0.548 119.682 120.400 -0.283 0.000 2.116 300 D HA -0.141 4.500 4.640 0.003 0.000 0.193 300 D C 1.841 178.115 176.300 -0.044 0.000 0.998 300 D CA 1.705 55.643 54.000 -0.103 0.000 0.836 300 D CB -0.245 40.525 40.800 -0.050 0.000 0.951 300 D HN 0.149 nan 8.370 nan 0.000 0.449 301 V N 0.736 120.547 119.914 -0.171 0.000 2.255 301 V HA -0.248 3.874 4.120 0.003 0.000 0.247 301 V C 2.606 178.676 176.094 -0.041 0.000 1.051 301 V CA 1.974 64.180 62.300 -0.158 0.000 1.018 301 V CB -1.053 30.553 31.823 -0.362 0.000 0.641 301 V HN 0.357 nan 8.190 nan 0.000 0.445 302 A N -0.859 121.885 122.820 -0.128 0.000 1.883 302 A HA -0.290 4.031 4.320 0.003 0.000 0.217 302 A C 1.999 179.605 177.584 0.036 0.000 1.186 302 A CA 2.321 54.314 52.037 -0.072 0.000 0.624 302 A CB -0.963 17.962 19.000 -0.126 0.000 0.822 302 A HN 0.759 nan 8.150 nan 0.000 0.444 303 H N -1.221 117.845 119.070 -0.006 0.000 2.357 303 H HA -0.079 4.479 4.556 0.003 0.000 0.301 303 H C 2.373 177.689 175.328 -0.020 0.000 1.082 303 H CA 1.310 57.351 56.048 -0.012 0.000 1.342 303 H CB -0.069 29.684 29.762 -0.015 0.000 1.389 303 H HN 0.476 nan 8.280 nan 0.000 0.511 304 T N 1.000 115.620 114.554 0.110 0.000 2.708 304 T HA -0.122 4.230 4.350 0.003 0.000 0.266 304 T C 2.144 176.822 174.700 -0.037 0.000 1.037 304 T CA 1.175 63.266 62.100 -0.015 0.000 1.146 304 T CB -0.212 68.570 68.868 -0.143 0.000 0.865 304 T HN 0.230 nan 8.240 nan 0.000 0.435 305 I N 1.068 121.645 120.570 0.011 0.000 2.163 305 I HA -0.199 3.973 4.170 0.003 0.000 0.243 305 I C 2.770 178.892 176.117 0.008 0.000 1.085 305 I CA 0.964 62.264 61.300 0.000 0.000 1.347 305 I CB -0.490 37.518 38.000 0.012 0.000 1.044 305 I HN 0.178 nan 8.210 nan 0.000 0.408 306 S N 0.613 116.334 115.700 0.034 0.000 2.359 306 S HA -0.106 4.366 4.470 0.003 0.000 0.222 306 S C 1.305 175.910 174.600 0.008 0.000 1.038 306 S CA 1.194 59.413 58.200 0.033 0.000 1.051 306 S CB -0.422 62.815 63.200 0.063 0.000 0.944 306 S HN 0.495 nan 8.310 nan 0.000 0.433 317 P HA 0.297 nan 4.420 nan 0.000 0.271 317 P C 1.310 178.687 177.300 0.129 0.000 1.218 317 P CA -0.262 62.940 63.100 0.169 0.000 0.780 317 P CB 0.702 32.520 31.700 0.196 0.000 0.901 318 T N 0.774 115.381 114.554 0.088 0.000 2.649 318 T HA -0.197 4.155 4.350 0.003 0.000 0.268 318 T C 0.896 175.502 174.700 -0.157 0.000 1.036 318 T CA 1.695 63.766 62.100 -0.048 0.000 1.157 318 T CB -0.654 68.148 68.868 -0.109 0.000 0.861 318 T HN 0.388 nan 8.240 nan 0.000 0.445 319 F N 0.611 120.589 119.950 0.046 0.000 2.660 319 F HA 0.433 4.961 4.527 0.002 0.000 0.297 319 F C 0.777 176.630 175.800 0.090 0.000 1.132 319 F CA -0.707 57.293 58.000 0.001 0.000 1.372 319 F CB -0.575 38.318 39.000 -0.178 0.000 1.003 319 F HN 0.100 nan 8.300 nan 0.000 0.524 320 M N 1.340 121.055 119.600 0.192 0.000 2.274 320 M HA 0.123 4.605 4.480 0.003 0.000 0.377 320 M C 1.096 177.325 176.300 -0.118 0.000 1.428 320 M CA 0.811 56.148 55.300 0.063 0.000 0.907 320 M CB 0.239 32.869 32.600 0.050 0.000 1.974 320 M HN 0.404 nan 8.290 nan 0.000 0.479 321 A N 3.391 126.051 122.820 -0.266 0.000 2.822 321 A HA -0.263 4.059 4.320 0.003 0.000 0.287 321 A C 0.177 177.622 177.584 -0.232 0.000 1.479 321 A CA 1.057 52.745 52.037 -0.582 0.000 0.779 321 A CB -2.692 15.517 19.000 -1.318 0.000 1.022 321 A HN 1.051 nan 8.150 nan 0.000 0.532 322 N N 0.065 118.745 118.700 -0.034 0.000 2.236 322 N HA 0.160 4.902 4.740 0.003 0.000 0.274 322 N C -0.867 174.611 175.510 -0.053 0.000 1.339 322 N CA -0.237 52.886 53.050 0.123 0.000 0.845 322 N CB 0.524 39.084 38.487 0.122 0.000 1.091 322 N HN 0.245 nan 8.380 nan 0.000 0.489 323 P HA -0.206 nan 4.420 nan 0.000 0.216 323 P C 1.306 178.527 177.300 -0.133 0.000 1.157 323 P CA 1.316 64.253 63.100 -0.271 0.000 0.880 323 P CB 0.152 31.611 31.700 -0.402 0.000 0.791 324 L N -1.245 119.934 121.223 -0.074 0.000 2.017 324 L HA -0.177 4.164 4.340 0.003 0.000 0.208 324 L C 2.525 179.347 176.870 -0.081 0.000 1.073 324 L CA 1.742 56.545 54.840 -0.063 0.000 0.745 324 L CB -1.242 40.797 42.059 -0.032 0.000 0.894 324 L HN -0.049 nan 8.230 nan 0.000 0.432 325 A N -0.972 121.799 122.820 -0.081 0.000 1.933 325 A HA -0.217 4.105 4.320 0.003 0.000 0.218 325 A C 2.386 179.886 177.584 -0.140 0.000 1.175 325 A CA 1.811 53.790 52.037 -0.096 0.000 0.628 325 A CB -1.116 17.833 19.000 -0.086 0.000 0.814 325 A HN 0.549 nan 8.150 nan 0.000 0.444 326 C N -1.120 118.069 119.300 -0.185 0.000 2.446 326 C HA 0.109 4.571 4.460 0.003 0.000 0.277 326 C C 3.312 178.223 174.990 -0.132 0.000 1.275 326 C CA 0.619 59.506 59.018 -0.218 0.000 1.727 326 C CB -1.311 26.266 27.740 -0.271 0.000 2.010 326 C HN 0.707 nan 8.230 nan 0.000 0.486 327 A N -0.075 122.678 122.820 -0.111 0.000 1.883 327 A HA -0.166 4.156 4.320 0.003 0.000 0.217 327 A C 2.385 179.896 177.584 -0.120 0.000 1.186 327 A CA 2.109 54.090 52.037 -0.094 0.000 0.624 327 A CB -1.066 17.884 19.000 -0.084 0.000 0.822 327 A HN 0.386 nan 8.150 nan 0.000 0.444 328 V N -0.222 119.600 119.914 -0.154 0.000 2.515 328 V HA -0.159 3.963 4.120 0.003 0.000 0.250 328 V C 2.666 178.642 176.094 -0.197 0.000 1.058 328 V CA 2.750 64.913 62.300 -0.227 0.000 1.064 328 V CB -0.191 31.442 31.823 -0.318 0.000 0.675 328 V HN 0.675 nan 8.190 nan 0.000 0.461 329 S N -1.062 114.549 115.700 -0.148 0.000 2.383 329 S HA -0.139 4.333 4.470 0.003 0.000 0.227 329 S C 1.950 176.490 174.600 -0.100 0.000 1.026 329 S CA 1.825 59.947 58.200 -0.131 0.000 0.981 329 S CB -0.170 62.967 63.200 -0.105 0.000 0.818 329 S HN 0.442 nan 8.310 nan 0.000 0.472 330 V N 2.304 122.173 119.914 -0.075 0.000 2.255 330 V HA -0.192 3.929 4.120 0.003 0.000 0.247 330 V C 3.000 179.059 176.094 -0.058 0.000 1.051 330 V CA 1.997 64.275 62.300 -0.038 0.000 1.018 330 V CB -1.446 30.361 31.823 -0.027 0.000 0.641 330 V HN 0.652 nan 8.190 nan 0.000 0.445 331 A N -0.895 121.867 122.820 -0.097 0.000 1.902 331 A HA -0.253 4.069 4.320 0.003 0.000 0.217 331 A C 2.566 180.048 177.584 -0.171 0.000 1.181 331 A CA 2.367 54.329 52.037 -0.125 0.000 0.623 331 A CB -0.842 18.066 19.000 -0.152 0.000 0.818 331 A HN 0.513 nan 8.150 nan 0.000 0.443 332 S N -0.762 114.832 115.700 -0.177 0.000 2.368 332 S HA -0.116 4.356 4.470 0.003 0.000 0.225 332 S C 1.886 176.457 174.600 -0.048 0.000 1.030 332 S CA 1.652 59.757 58.200 -0.158 0.000 0.999 332 S CB -0.443 62.705 63.200 -0.087 0.000 0.844 332 S HN 0.286 nan 8.310 nan 0.000 0.459 333 V N 1.652 121.534 119.914 -0.054 0.000 2.379 333 V HA -0.076 4.045 4.120 0.003 0.000 0.245 333 V C 2.474 178.595 176.094 0.044 0.000 1.044 333 V CA 1.903 64.216 62.300 0.023 0.000 1.036 333 V CB -0.695 31.171 31.823 0.071 0.000 0.664 333 V HN 0.522 nan 8.190 nan 0.000 0.453 334 E N -0.134 120.069 120.200 0.006 0.000 2.072 334 E HA -0.177 4.174 4.350 0.003 0.000 0.191 334 E C 2.278 178.876 176.600 -0.004 0.000 0.985 334 E CA 1.031 57.439 56.400 0.014 0.000 0.801 334 E CB -0.134 29.564 29.700 -0.003 0.000 0.750 334 E HN 0.438 nan 8.360 nan 0.000 0.452 335 L N 0.923 122.087 121.223 -0.098 0.000 2.042 335 L HA -0.205 4.137 4.340 0.003 0.000 0.210 335 L C 2.496 179.360 176.870 -0.010 0.000 1.076 335 L CA 1.007 55.740 54.840 -0.179 0.000 0.749 335 L CB -0.192 41.517 42.059 -0.583 0.000 0.893 335 L HN 0.226 nan 8.230 nan 0.000 0.432 336 L N -0.320 120.974 121.223 0.117 0.000 1.994 336 L HA -0.242 4.100 4.340 0.003 0.000 0.208 336 L C 2.289 179.320 176.870 0.268 0.000 1.071 336 L CA 1.685 56.697 54.840 0.287 0.000 0.745 336 L CB -0.528 41.653 42.059 0.202 0.000 0.892 336 L HN 0.136 nan 8.230 nan 0.000 0.431 337 L N -0.138 121.195 121.223 0.183 0.000 2.201 337 L HA -0.015 4.327 4.340 0.003 0.000 0.212 337 L C 2.347 179.361 176.870 0.239 0.000 1.105 337 L CA 1.763 56.747 54.840 0.240 0.000 0.775 337 L CB -1.633 40.517 42.059 0.152 0.000 0.913 337 L HN 0.407 nan 8.230 nan 0.000 0.440 338 G N -1.377 107.521 108.800 0.164 0.000 2.985 338 G HA2 0.023 3.985 3.960 0.003 0.000 0.209 338 G HA3 0.023 3.985 3.960 0.003 0.000 0.209 338 G C 0.564 175.536 174.900 0.120 0.000 1.165 338 G CA -0.062 45.109 45.100 0.118 0.000 0.776 338 G HN 0.474 nan 8.290 nan 0.000 0.541 339 Q N -0.557 119.347 119.800 0.173 0.000 2.418 339 Q HA 0.425 4.767 4.340 0.003 0.000 0.276 339 Q C -1.364 174.711 176.000 0.125 0.000 1.081 339 Q CA -0.902 54.989 55.803 0.147 0.000 0.864 339 Q CB 1.398 30.242 28.738 0.176 0.000 1.384 339 Q HN -0.085 nan 8.270 nan 0.000 0.467 340 D N 1.486 121.903 120.400 0.029 0.000 2.619 340 D HA 0.034 4.676 4.640 0.003 0.000 0.224 340 D C 0.659 176.871 176.300 -0.147 0.000 1.133 340 D CA -0.513 53.411 54.000 -0.126 0.000 1.017 340 D CB -0.305 40.426 40.800 -0.115 0.000 1.077 340 D HN 0.705 nan 8.370 nan 0.000 0.503 341 W N 2.437 123.743 121.300 0.010 0.000 2.374 341 W HA -0.145 4.517 4.660 0.003 0.000 0.288 341 W C 1.544 178.015 176.519 -0.080 0.000 1.218 341 W CA 0.092 57.427 57.345 -0.017 0.000 1.245 341 W CB -0.717 28.746 29.460 0.006 0.000 1.126 341 W HN 0.280 nan 8.180 nan 0.000 0.545 342 R N 0.937 120.885 120.500 -0.920 0.000 2.081 342 R HA -0.112 4.230 4.340 0.003 0.000 0.235 342 R C 2.343 178.452 176.300 -0.319 0.000 1.131 342 R CA 2.525 58.151 56.100 -0.790 0.000 0.960 342 R CB -0.591 29.009 30.300 -1.166 0.000 0.856 342 R HN 0.004 nan 8.270 nan 0.000 0.436 343 T N 0.424 114.810 114.554 -0.280 0.000 2.788 343 T HA -0.136 4.216 4.350 0.003 0.000 0.268 343 T C 1.681 176.332 174.700 -0.082 0.000 1.044 343 T CA 1.498 63.509 62.100 -0.148 0.000 1.139 343 T CB -0.228 68.567 68.868 -0.123 0.000 0.867 343 T HN 0.229 nan 8.240 nan 0.000 0.454 344 R N 1.044 121.510 120.500 -0.057 0.000 2.081 344 R HA -0.008 4.334 4.340 0.003 0.000 0.235 344 R C 2.080 178.357 176.300 -0.039 0.000 1.131 344 R CA 1.313 57.409 56.100 -0.008 0.000 0.960 344 R CB -0.607 29.726 30.300 0.054 0.000 0.856 344 R HN 0.277 nan 8.270 nan 0.000 0.436 345 I N 0.072 120.599 120.570 -0.071 0.000 2.353 345 I HA -0.133 4.039 4.170 0.003 0.000 0.248 345 I C 1.792 177.877 176.117 -0.053 0.000 1.119 345 I CA 1.386 62.624 61.300 -0.102 0.000 1.417 345 I CB -1.389 36.553 38.000 -0.095 0.000 1.078 345 I HN 0.193 nan 8.210 nan 0.000 0.421 346 T N 0.841 115.365 114.554 -0.049 0.000 2.788 346 T HA -0.167 4.185 4.350 0.003 0.000 0.268 346 T C 1.788 176.472 174.700 -0.026 0.000 1.044 346 T CA 1.364 63.440 62.100 -0.039 0.000 1.139 346 T CB -0.126 68.710 68.868 -0.054 0.000 0.867 346 T HN 0.412 nan 8.240 nan 0.000 0.454 347 E N 0.567 120.753 120.200 -0.023 0.000 2.106 347 E HA 0.004 4.356 4.350 0.003 0.000 0.192 347 E C 2.182 178.783 176.600 0.002 0.000 0.984 347 E CA 0.637 57.033 56.400 -0.007 0.000 0.806 347 E CB -0.225 29.476 29.700 0.001 0.000 0.750 347 E HN 0.390 nan 8.360 nan 0.000 0.458 348 L N 0.650 121.873 121.223 -0.000 0.000 2.017 348 L HA -0.206 4.136 4.340 0.003 0.000 0.208 348 L C 2.552 179.426 176.870 0.008 0.000 1.073 348 L CA 1.225 56.071 54.840 0.010 0.000 0.745 348 L CB -0.410 41.654 42.059 0.009 0.000 0.894 348 L HN 0.150 nan 8.230 nan 0.000 0.432 349 A N -0.249 122.570 122.820 -0.002 0.000 1.898 349 A HA -0.150 4.172 4.320 0.003 0.000 0.216 349 A C 2.520 180.107 177.584 0.005 0.000 1.181 349 A CA 1.632 53.670 52.037 0.002 0.000 0.620 349 A CB -0.765 18.229 19.000 -0.011 0.000 0.819 349 A HN 0.399 nan 8.150 nan 0.000 0.442 350 A N -0.400 122.421 122.820 0.001 0.000 1.908 350 A HA 0.083 4.405 4.320 0.003 0.000 0.218 350 A C 2.414 180.003 177.584 0.008 0.000 1.181 350 A CA 2.015 54.054 52.037 0.003 0.000 0.627 350 A CB -1.404 17.595 19.000 -0.001 0.000 0.818 350 A HN 0.736 nan 8.150 nan 0.000 0.445 351 G N -0.378 108.428 108.800 0.010 0.000 2.418 351 G HA2 -0.132 3.830 3.960 0.003 0.000 0.217 351 G HA3 -0.132 3.830 3.960 0.003 0.000 0.217 351 G C 1.565 176.473 174.900 0.013 0.000 1.158 351 G CA 1.023 46.131 45.100 0.013 0.000 0.771 351 G HN 0.431 nan 8.290 nan 0.000 0.545 352 L N 0.318 121.550 121.223 0.016 0.000 2.056 352 L HA -0.056 4.286 4.340 0.003 0.000 0.207 352 L C 3.204 180.087 176.870 0.021 0.000 1.078 352 L CA 1.451 56.303 54.840 0.019 0.000 0.749 352 L CB -0.732 41.345 42.059 0.029 0.000 0.901 352 L HN 0.150 nan 8.230 nan 0.000 0.433 353 T N -0.034 114.533 114.554 0.022 0.000 2.684 353 T HA -0.221 4.131 4.350 0.003 0.000 0.267 353 T C 1.968 176.676 174.700 0.014 0.000 1.036 353 T CA 1.516 63.628 62.100 0.021 0.000 1.148 353 T CB -0.249 68.630 68.868 0.018 0.000 0.863 353 T HN 0.456 nan 8.240 nan 0.000 0.436 354 A N 1.157 123.984 122.820 0.011 0.000 1.898 354 A HA 0.198 4.520 4.320 0.003 0.000 0.216 354 A C 2.610 180.199 177.584 0.008 0.000 1.181 354 A CA 1.669 53.711 52.037 0.009 0.000 0.620 354 A CB -1.175 17.830 19.000 0.009 0.000 0.819 354 A HN 0.515 nan 8.150 nan 0.000 0.442 355 G N -0.761 108.043 108.800 0.008 0.000 2.484 355 G HA2 0.046 4.008 3.960 0.003 0.000 0.218 355 G HA3 0.046 4.008 3.960 0.003 0.000 0.218 355 G C 1.322 176.224 174.900 0.003 0.000 1.130 355 G CA 0.782 45.885 45.100 0.005 0.000 0.784 355 G HN 0.423 nan 8.290 nan 0.000 0.543 356 L N -0.046 121.181 121.223 0.006 0.000 2.585 356 L HA 0.196 4.538 4.340 0.003 0.000 0.226 356 L C 1.992 178.864 176.870 0.003 0.000 1.113 356 L CA 0.216 55.058 54.840 0.004 0.000 0.876 356 L CB 0.250 42.316 42.059 0.011 0.000 1.072 356 L HN 0.134 nan 8.230 nan 0.000 0.468 357 D N 0.636 121.039 120.400 0.005 0.000 2.149 357 D HA -0.224 4.417 4.640 0.003 0.000 0.198 357 D C 2.061 178.360 176.300 -0.001 0.000 0.990 357 D CA 1.891 55.893 54.000 0.003 0.000 0.839 357 D CB 0.331 41.133 40.800 0.004 0.000 0.948 357 D HN 0.281 nan 8.370 nan 0.000 0.460 358 T N -2.823 111.731 114.554 -0.002 0.000 3.113 358 T HA 0.156 4.508 4.350 0.003 0.000 0.263 358 T C 1.826 176.522 174.700 -0.007 0.000 1.143 358 T CA 0.637 62.735 62.100 -0.004 0.000 1.090 358 T CB -0.090 68.776 68.868 -0.003 0.000 0.922 358 T HN 0.139 nan 8.240 nan 0.000 0.521 359 A N 1.891 124.706 122.820 -0.008 0.000 2.016 359 A HA 0.111 4.433 4.320 0.003 0.000 0.217 359 A C 2.543 180.119 177.584 -0.013 0.000 1.162 359 A CA 0.449 52.479 52.037 -0.012 0.000 0.662 359 A CB -0.514 18.478 19.000 -0.014 0.000 0.812 359 A HN 0.442 nan 8.150 nan 0.000 0.450 360 R N -0.424 120.070 120.500 -0.011 0.000 2.139 360 R HA -0.170 4.172 4.340 0.003 0.000 0.243 360 R C 1.975 178.267 176.300 -0.013 0.000 1.145 360 R CA 1.371 57.464 56.100 -0.012 0.000 0.976 360 R CB -0.343 29.952 30.300 -0.008 0.000 0.866 360 R HN 0.500 nan 8.270 nan 0.000 0.449 361 A N 0.567 123.380 122.820 -0.011 0.000 2.275 361 A HA 0.165 4.487 4.320 0.003 0.000 0.212 361 A C 0.823 178.399 177.584 -0.013 0.000 1.201 361 A CA -0.177 51.853 52.037 -0.011 0.000 0.843 361 A CB 0.113 19.108 19.000 -0.008 0.000 0.873 361 A HN 0.076 nan 8.150 nan 0.000 0.492 362 L N 0.842 122.057 121.223 -0.015 0.000 2.426 362 L HA 0.127 4.469 4.340 0.003 0.000 0.271 362 L C -0.868 175.991 176.870 -0.019 0.000 1.169 362 L CA -1.476 53.354 54.840 -0.017 0.000 0.836 362 L CB 0.768 42.816 42.059 -0.019 0.000 1.112 362 L HN 0.156 nan 8.230 nan 0.000 0.465 363 P HA -0.176 nan 4.420 nan 0.000 0.216 363 P C 0.856 178.142 177.300 -0.023 0.000 1.150 363 P CA 1.245 64.334 63.100 -0.019 0.000 0.837 363 P CB 0.219 31.909 31.700 -0.017 0.000 0.786 364 A N -0.514 122.290 122.820 -0.025 0.000 2.238 364 A HA 0.175 4.497 4.320 0.003 0.000 0.208 364 A C 0.976 178.539 177.584 -0.035 0.000 1.177 364 A CA 0.137 52.156 52.037 -0.030 0.000 0.804 364 A CB -0.514 18.468 19.000 -0.031 0.000 0.823 364 A HN 0.065 nan 8.150 nan 0.000 0.482 365 V N 0.468 120.363 119.914 -0.033 0.000 2.406 365 V HA 0.205 4.327 4.120 0.003 0.000 0.272 365 V C 1.120 177.191 176.094 -0.038 0.000 1.043 365 V CA 0.283 62.561 62.300 -0.037 0.000 0.915 365 V CB 1.142 32.946 31.823 -0.031 0.000 0.988 365 V HN 0.434 nan 8.190 nan 0.000 0.466 366 T N 2.974 117.500 114.554 -0.047 0.000 3.023 366 T HA 0.126 4.478 4.350 0.003 0.000 0.249 366 T C 0.120 174.790 174.700 -0.050 0.000 1.050 366 T CA 0.516 62.587 62.100 -0.048 0.000 1.088 366 T CB 0.054 68.888 68.868 -0.056 0.000 0.946 366 T HN 0.783 nan 8.240 nan 0.000 0.480 367 D N -0.359 120.007 120.400 -0.057 0.000 2.706 367 D HA 0.442 5.084 4.640 0.003 0.000 0.225 367 D C -1.816 174.450 176.300 -0.055 0.000 1.241 367 D CA -0.415 53.549 54.000 -0.059 0.000 0.784 367 D CB 1.828 42.579 40.800 -0.082 0.000 1.521 367 D HN -0.162 nan 8.370 nan 0.000 0.461 368 V N 3.098 122.989 119.914 -0.038 0.000 2.525 368 V HA 0.666 4.788 4.120 0.003 0.000 0.299 368 V C -0.509 175.584 176.094 -0.002 0.000 1.034 368 V CA -0.726 61.561 62.300 -0.021 0.000 0.863 368 V CB 1.532 33.352 31.823 -0.006 0.000 0.999 368 V HN 0.633 nan 8.190 nan 0.000 0.423 369 R N 3.333 123.838 120.500 0.008 0.000 2.725 369 R HA 0.959 5.301 4.340 0.003 0.000 0.277 369 R C -2.045 174.411 176.300 0.260 0.000 0.987 369 R CA -0.826 55.332 56.100 0.098 0.000 0.901 369 R CB 2.439 32.710 30.300 -0.049 0.000 1.207 369 R HN 0.323 nan 8.270 nan 0.000 0.463 370 V N 1.181 121.303 119.914 0.347 0.000 2.841 370 V HA 0.543 4.665 4.120 0.003 0.000 0.310 370 V C -1.161 174.992 176.094 0.099 0.000 1.090 370 V CA -0.795 61.656 62.300 0.252 0.000 0.930 370 V CB 1.984 33.871 31.823 0.107 0.000 1.014 370 V HN 1.001 nan 8.190 nan 0.000 0.425 371 C N 4.357 123.593 119.300 -0.107 0.000 2.892 371 C HA 0.705 5.167 4.460 0.003 0.000 0.360 371 C C 0.854 175.727 174.990 -0.195 0.000 1.054 371 C CA 0.520 59.307 59.018 -0.385 0.000 1.326 371 C CB -0.447 26.605 27.740 -1.146 0.000 1.806 371 C HN 1.882 nan 8.230 nan 0.000 0.490 372 G N 4.285 113.024 108.800 -0.101 0.000 2.556 372 G HA2 0.057 4.019 3.960 0.003 0.000 0.283 372 G HA3 0.057 4.019 3.960 0.003 0.000 0.283 372 G C 0.662 175.556 174.900 -0.009 0.000 1.177 372 G CA 0.069 45.147 45.100 -0.037 0.000 0.978 372 G HN 2.282 nan 8.290 nan 0.000 0.554 373 A N 0.065 122.894 122.820 0.016 0.000 3.105 373 A HA 0.660 4.982 4.320 0.003 0.000 0.272 373 A C 0.332 177.969 177.584 0.088 0.000 1.466 373 A CA 0.338 52.408 52.037 0.055 0.000 1.101 373 A CB -0.701 18.350 19.000 0.084 0.000 1.065 373 A HN 0.844 nan 8.150 nan 0.000 0.643 374 I N -0.125 120.501 120.570 0.092 0.000 2.512 374 I HA 0.517 4.689 4.170 0.003 0.000 0.287 374 I C 0.249 176.478 176.117 0.187 0.000 1.069 374 I CA -0.488 60.903 61.300 0.151 0.000 1.056 374 I CB 2.419 40.570 38.000 0.251 0.000 1.229 374 I HN 0.270 nan 8.210 nan 0.000 0.429 375 G N 5.337 114.234 108.800 0.163 0.000 2.590 375 G HA2 0.698 4.660 3.960 0.003 0.000 0.310 375 G HA3 0.698 4.660 3.960 0.003 0.000 0.310 375 G C -1.339 173.656 174.900 0.158 0.000 1.347 375 G CA -0.479 44.711 45.100 0.151 0.000 0.963 375 G HN 0.301 nan 8.290 nan 0.000 0.494 376 V N 3.041 123.030 119.914 0.125 0.000 2.540 376 V HA 0.478 4.600 4.120 0.003 0.000 0.302 376 V C -0.297 175.802 176.094 0.009 0.000 1.035 376 V CA -0.664 61.678 62.300 0.070 0.000 0.873 376 V CB 1.800 33.594 31.823 -0.048 0.000 0.992 376 V HN 0.677 nan 8.190 nan 0.000 0.428 377 I N 3.533 124.105 120.570 0.004 0.000 2.328 377 I HA 0.387 4.559 4.170 0.003 0.000 0.287 377 I C 0.213 176.295 176.117 -0.059 0.000 1.012 377 I CA -0.207 61.076 61.300 -0.029 0.000 1.195 377 I CB 1.399 39.385 38.000 -0.023 0.000 1.350 377 I HN 0.696 nan 8.210 nan 0.000 0.464 378 E N 6.020 126.169 120.200 -0.084 0.000 2.229 378 E HA 0.353 4.705 4.350 0.003 0.000 0.283 378 E C -1.124 175.424 176.600 -0.086 0.000 1.030 378 E CA -0.510 55.825 56.400 -0.109 0.000 0.836 378 E CB 0.980 30.602 29.700 -0.129 0.000 1.068 378 E HN 0.629 nan 8.360 nan 0.000 0.401 379 C N 3.014 122.260 119.300 -0.090 0.000 2.407 379 C HA 0.232 4.694 4.460 0.003 0.000 0.366 379 C C 0.850 175.798 174.990 -0.069 0.000 1.213 379 C CA -0.588 58.388 59.018 -0.071 0.000 2.011 379 C CB 1.047 28.748 27.740 -0.065 0.000 2.306 379 C HN 0.920 nan 8.230 nan 0.000 0.527 380 D N -0.081 120.285 120.400 -0.055 0.000 2.328 380 D HA 0.037 4.678 4.640 0.003 0.000 0.226 380 D C 0.464 176.736 176.300 -0.047 0.000 1.066 380 D CA 0.152 54.123 54.000 -0.050 0.000 0.861 380 D CB 0.053 40.828 40.800 -0.040 0.000 0.912 380 D HN 0.740 nan 8.370 nan 0.000 0.521 381 R N -1.454 119.016 120.500 -0.051 0.000 2.710 381 R HA 0.549 4.891 4.340 0.003 0.000 0.270 381 R C -3.325 172.943 176.300 -0.054 0.000 1.021 381 R CA -1.885 54.187 56.100 -0.047 0.000 0.889 381 R CB 0.050 30.327 30.300 -0.038 0.000 1.243 381 R HN -0.301 nan 8.270 nan 0.000 0.464 382 P HA -0.031 nan 4.420 nan 0.000 0.264 382 P C -0.386 176.888 177.300 -0.043 0.000 1.183 382 P CA -0.213 62.858 63.100 -0.048 0.000 0.763 382 P CB 0.471 32.152 31.700 -0.031 0.000 0.807 383 V N 3.438 123.324 119.914 -0.047 0.000 2.530 383 V HA 0.085 4.207 4.120 0.003 0.000 0.282 383 V C 0.624 176.700 176.094 -0.030 0.000 1.048 383 V CA -0.117 62.159 62.300 -0.041 0.000 0.997 383 V CB 0.834 32.630 31.823 -0.045 0.000 0.987 383 V HN 0.504 nan 8.190 nan 0.000 0.477 384 D N 3.777 124.159 120.400 -0.030 0.000 2.325 384 D HA 0.185 4.827 4.640 0.003 0.000 0.251 384 D C 0.841 177.121 176.300 -0.032 0.000 1.196 384 D CA 0.027 54.011 54.000 -0.026 0.000 0.866 384 D CB 1.294 42.080 40.800 -0.025 0.000 1.101 384 D HN 0.440 nan 8.370 nan 0.000 0.476 385 L N 3.344 124.550 121.223 -0.029 0.000 2.217 385 L HA -0.085 4.257 4.340 0.003 0.000 0.211 385 L C 2.239 179.084 176.870 -0.042 0.000 1.107 385 L CA 0.919 55.733 54.840 -0.042 0.000 0.783 385 L CB -0.155 41.884 42.059 -0.033 0.000 0.919 385 L HN 0.503 nan 8.230 nan 0.000 0.442 386 A N -0.895 121.908 122.820 -0.029 0.000 2.121 386 A HA -0.072 4.250 4.320 0.003 0.000 0.218 386 A C 2.140 179.709 177.584 -0.024 0.000 1.154 386 A CA 1.249 53.272 52.037 -0.023 0.000 0.679 386 A CB -0.247 18.741 19.000 -0.018 0.000 0.795 386 A HN 0.244 nan 8.150 nan 0.000 0.458 387 V N -1.296 118.600 119.914 -0.030 0.000 2.581 387 V HA 0.039 4.161 4.120 0.003 0.000 0.240 387 V C 2.880 178.949 176.094 -0.041 0.000 1.054 387 V CA 1.192 63.474 62.300 -0.030 0.000 1.076 387 V CB -0.704 31.103 31.823 -0.027 0.000 0.748 387 V HN 0.504 nan 8.190 nan 0.000 0.474 388 A N 0.220 123.007 122.820 -0.055 0.000 1.902 388 A HA -0.202 4.120 4.320 0.003 0.000 0.217 388 A C 2.350 179.872 177.584 -0.104 0.000 1.181 388 A CA 2.608 54.598 52.037 -0.078 0.000 0.623 388 A CB -0.922 18.026 19.000 -0.088 0.000 0.818 388 A HN 0.488 nan 8.150 nan 0.000 0.443 389 T N 0.583 115.070 114.554 -0.112 0.000 2.643 389 T HA -0.076 4.276 4.350 0.003 0.000 0.264 389 T C -0.211 174.457 174.700 -0.054 0.000 1.045 389 T CA 1.720 63.737 62.100 -0.138 0.000 1.155 389 T CB -1.116 67.683 68.868 -0.116 0.000 0.863 389 T HN 0.481 nan 8.240 nan 0.000 0.420 390 P HA 0.072 nan 4.420 nan 0.000 0.221 390 P C 1.368 178.667 177.300 -0.001 0.000 1.150 390 P CA 1.102 64.207 63.100 0.009 0.000 0.800 390 P CB -0.183 31.521 31.700 0.008 0.000 0.787 391 A N 0.864 123.672 122.820 -0.021 0.000 1.877 391 A HA -0.081 4.241 4.320 0.003 0.000 0.216 391 A C 2.491 180.061 177.584 -0.022 0.000 1.186 391 A CA 2.309 54.333 52.037 -0.022 0.000 0.620 391 A CB -1.535 17.445 19.000 -0.032 0.000 0.822 391 A HN 0.234 nan 8.150 nan 0.000 0.443 392 A N -0.453 122.341 122.820 -0.044 0.000 1.929 392 A HA 0.051 4.373 4.320 0.003 0.000 0.216 392 A C 2.151 179.737 177.584 0.003 0.000 1.176 392 A CA 1.313 53.323 52.037 -0.045 0.000 0.628 392 A CB -0.565 18.369 19.000 -0.109 0.000 0.816 392 A HN 0.459 nan 8.150 nan 0.000 0.444 393 L N -0.369 120.874 121.223 0.033 0.000 2.083 393 L HA -0.204 4.138 4.340 0.003 0.000 0.209 393 L C 1.918 178.826 176.870 0.064 0.000 1.083 393 L CA 1.368 56.259 54.840 0.084 0.000 0.752 393 L CB -0.684 41.445 42.059 0.118 0.000 0.899 393 L HN 0.290 nan 8.230 nan 0.000 0.433 394 D N 0.070 120.494 120.400 0.040 0.000 2.221 394 D HA -0.140 4.502 4.640 0.003 0.000 0.204 394 D C 1.896 178.218 176.300 0.037 0.000 0.982 394 D CA 1.025 55.046 54.000 0.034 0.000 0.857 394 D CB -0.046 40.765 40.800 0.019 0.000 0.934 394 D HN 0.236 nan 8.370 nan 0.000 0.475 395 R N -0.381 120.139 120.500 0.033 0.000 2.388 395 R HA 0.238 4.580 4.340 0.003 0.000 0.247 395 R C 0.944 177.280 176.300 0.060 0.000 0.931 395 R CA 0.369 56.491 56.100 0.037 0.000 1.082 395 R CB 0.374 30.683 30.300 0.015 0.000 1.135 395 R HN 0.081 nan 8.270 nan 0.000 0.525 396 G N 1.142 109.992 108.800 0.083 0.000 2.198 396 G HA2 -0.243 3.719 3.960 0.003 0.000 0.257 396 G HA3 -0.243 3.719 3.960 0.003 0.000 0.257 396 G C -0.178 174.777 174.900 0.091 0.000 1.042 396 G CA 0.237 45.416 45.100 0.132 0.000 0.791 396 G HN 0.169 nan 8.290 nan 0.000 0.502 397 V N 0.557 120.505 119.914 0.057 0.000 2.623 397 V HA 0.497 4.619 4.120 0.003 0.000 0.304 397 V C 0.072 176.208 176.094 0.070 0.000 1.054 397 V CA -1.161 61.145 62.300 0.010 0.000 0.882 397 V CB 1.990 33.782 31.823 -0.051 0.000 1.002 397 V HN 0.408 nan 8.190 nan 0.000 0.424 398 W N 7.264 128.509 121.300 -0.091 0.000 2.481 398 W HA 0.611 5.274 4.660 0.004 0.000 0.320 398 W C -1.829 174.631 176.519 -0.099 0.000 1.209 398 W CA -0.318 56.981 57.345 -0.078 0.000 1.400 398 W CB 0.791 30.209 29.460 -0.070 0.000 1.361 398 W HN 0.452 nan 8.180 nan 0.000 0.456 399 L N 6.628 127.430 121.223 -0.701 0.000 2.386 399 L HA 0.410 4.752 4.340 0.003 0.000 0.271 399 L C -0.361 176.011 176.870 -0.830 0.000 0.993 399 L CA -0.966 53.493 54.840 -0.634 0.000 0.819 399 L CB 2.384 44.224 42.059 -0.365 0.000 1.294 399 L HN 0.269 nan 8.230 nan 0.000 0.414 400 R N 3.665 123.782 120.500 -0.638 0.000 2.415 400 R HA 0.434 4.776 4.340 0.003 0.000 0.292 400 R C -2.609 173.603 176.300 -0.147 0.000 1.295 400 R CA -1.763 54.077 56.100 -0.433 0.000 1.137 400 R CB 0.907 31.007 30.300 -0.332 0.000 1.135 400 R HN 0.168 nan 8.270 nan 0.000 0.560 401 P HA 0.261 nan 4.420 nan 0.000 0.272 401 P C -1.137 176.350 177.300 0.313 0.000 1.240 401 P CA -0.180 62.992 63.100 0.119 0.000 0.791 401 P CB 0.423 32.124 31.700 0.001 0.000 0.978 402 F N -1.635 118.398 119.950 0.139 0.000 2.628 402 F HA 0.648 5.177 4.527 0.004 0.000 0.309 402 F C 0.496 176.318 175.800 0.036 0.000 1.108 402 F CA -1.216 56.831 58.000 0.078 0.000 0.971 402 F CB 1.117 40.178 39.000 0.102 0.000 1.279 402 F HN 0.322 nan 8.300 nan 0.000 0.441 403 R N 1.009 121.496 120.500 -0.021 0.000 3.793 403 R HA -0.315 4.027 4.340 0.003 0.000 0.464 403 R C 0.304 176.504 176.300 -0.166 0.000 0.241 403 R CA 2.058 58.087 56.100 -0.119 0.000 1.464 403 R CB -1.252 28.933 30.300 -0.192 0.000 0.954 403 R HN 0.961 nan 8.270 nan 0.000 0.583 404 N N 2.095 120.659 118.700 -0.227 0.000 2.320 404 N HA 0.164 4.906 4.740 0.003 0.000 0.237 404 N C -0.526 174.867 175.510 -0.195 0.000 1.129 404 N CA 0.268 53.216 53.050 -0.170 0.000 0.854 404 N CB 0.247 38.652 38.487 -0.136 0.000 1.083 404 N HN 0.287 nan 8.380 nan 0.000 0.504 405 L N 0.348 121.413 121.223 -0.264 0.000 2.356 405 L HA 0.512 4.854 4.340 0.003 0.000 0.277 405 L C -0.688 176.177 176.870 -0.008 0.000 0.996 405 L CA -1.172 53.543 54.840 -0.207 0.000 0.822 405 L CB 2.394 44.191 42.059 -0.437 0.000 1.256 405 L HN -0.235 nan 8.230 nan 0.000 0.413 406 V N 3.896 123.822 119.914 0.021 0.000 2.311 406 V HA 0.395 4.517 4.120 0.003 0.000 0.275 406 V C -0.704 175.453 176.094 0.105 0.000 1.022 406 V CA -0.561 61.762 62.300 0.039 0.000 0.830 406 V CB 0.472 32.280 31.823 -0.025 0.000 1.012 406 V HN 0.628 nan 8.190 nan 0.000 0.452 407 Y N 2.994 123.268 120.300 -0.043 0.000 2.581 407 Y HA 0.962 5.513 4.550 0.003 0.000 0.345 407 Y C -0.487 175.378 175.900 -0.057 0.000 1.036 407 Y CA -1.510 56.573 58.100 -0.028 0.000 1.042 407 Y CB 1.913 40.388 38.460 0.024 0.000 1.289 407 Y HN 0.644 nan 8.280 nan 0.000 0.471 408 A N 2.863 125.594 122.820 -0.148 0.000 2.515 408 A HA 0.795 5.117 4.320 0.003 0.000 0.298 408 A C -1.731 175.751 177.584 -0.170 0.000 1.059 408 A CA -0.996 50.884 52.037 -0.262 0.000 0.698 408 A CB 1.324 20.227 19.000 -0.162 0.000 1.289 408 A HN 0.755 nan 8.150 nan 0.000 0.404 409 M N 3.281 122.718 119.600 -0.270 0.000 2.126 409 M HA 0.321 4.803 4.480 0.003 0.000 0.217 409 M C -2.770 173.448 176.300 -0.136 0.000 0.873 409 M CA -1.486 53.673 55.300 -0.234 0.000 0.707 409 M CB 1.327 33.579 32.600 -0.581 0.000 1.515 409 M HN 0.371 nan 8.290 nan 0.000 0.369 410 P HA 0.411 nan 4.420 nan 0.000 0.276 410 P C -2.678 174.640 177.300 0.030 0.000 1.244 410 P CA -1.486 61.595 63.100 -0.031 0.000 0.801 410 P CB -0.085 31.599 31.700 -0.027 0.000 1.006 411 P HA -0.023 nan 4.420 nan 0.000 0.267 411 P C 0.643 178.032 177.300 0.147 0.000 1.200 411 P CA 0.373 63.454 63.100 -0.032 0.000 0.772 411 P CB -0.104 31.579 31.700 -0.028 0.000 0.855 412 Y N 1.768 122.067 120.300 -0.001 0.000 2.483 412 Y HA -0.083 4.469 4.550 0.004 0.000 0.291 412 Y C 1.857 177.803 175.900 0.077 0.000 1.143 412 Y CA 0.563 58.684 58.100 0.036 0.000 1.289 412 Y CB -1.425 37.053 38.460 0.030 0.000 0.983 412 Y HN 0.334 nan 8.280 nan 0.000 0.556 413 I N -3.832 116.876 120.570 0.230 0.000 3.684 413 I HA 0.108 4.280 4.170 0.003 0.000 0.304 413 I C 0.466 176.679 176.117 0.159 0.000 1.278 413 I CA -0.429 60.994 61.300 0.204 0.000 1.272 413 I CB -0.829 37.304 38.000 0.222 0.000 1.029 413 I HN -0.151 nan 8.210 nan 0.000 0.458 414 C N 3.638 123.014 119.300 0.127 0.000 2.633 414 C HA 0.178 4.640 4.460 0.003 0.000 0.415 414 C C 1.658 176.706 174.990 0.096 0.000 1.393 414 C CA 0.021 59.092 59.018 0.089 0.000 1.700 414 C CB -0.706 27.058 27.740 0.040 0.000 2.541 414 C HN 0.615 nan 8.230 nan 0.000 0.603 415 T N 2.664 117.282 114.554 0.107 0.000 2.813 415 T HA 0.164 4.516 4.350 0.003 0.000 0.297 415 T C -1.593 173.151 174.700 0.072 0.000 1.036 415 T CA -1.098 61.059 62.100 0.095 0.000 1.044 415 T CB 0.478 69.412 68.868 0.110 0.000 0.993 415 T HN 0.421 nan 8.240 nan 0.000 0.535 416 P HA -0.112 nan 4.420 nan 0.000 0.217 416 P C 1.625 178.954 177.300 0.048 0.000 1.151 416 P CA 1.698 64.825 63.100 0.046 0.000 0.849 416 P CB -0.317 31.407 31.700 0.040 0.000 0.787 417 A N -0.403 122.454 122.820 0.062 0.000 1.930 417 A HA -0.207 4.115 4.320 0.003 0.000 0.217 417 A C 2.133 179.762 177.584 0.075 0.000 1.175 417 A CA 1.543 53.621 52.037 0.068 0.000 0.627 417 A CB -1.059 17.990 19.000 0.082 0.000 0.815 417 A HN 0.184 nan 8.150 nan 0.000 0.443 418 E N -0.305 119.945 120.200 0.085 0.000 2.072 418 E HA -0.119 4.233 4.350 0.003 0.000 0.191 418 E C 1.786 178.382 176.600 -0.007 0.000 0.985 418 E CA 0.914 57.344 56.400 0.050 0.000 0.801 418 E CB -0.157 29.573 29.700 0.050 0.000 0.750 418 E HN 0.498 nan 8.360 nan 0.000 0.452 419 I N 1.104 121.679 120.570 0.008 0.000 2.286 419 I HA -0.211 3.961 4.170 0.003 0.000 0.248 419 I C 2.251 178.366 176.117 -0.003 0.000 1.115 419 I CA 1.413 62.711 61.300 -0.003 0.000 1.392 419 I CB -1.244 36.764 38.000 0.013 0.000 1.065 419 I HN 0.111 nan 8.210 nan 0.000 0.418 420 T N 0.184 114.746 114.554 0.012 0.000 2.821 420 T HA -0.230 4.122 4.350 0.003 0.000 0.267 420 T C 1.873 176.578 174.700 0.009 0.000 1.046 420 T CA 1.474 63.581 62.100 0.013 0.000 1.139 420 T CB -0.110 68.772 68.868 0.024 0.000 0.871 420 T HN 0.400 nan 8.240 nan 0.000 0.454 421 Q N 0.146 119.953 119.800 0.013 0.000 2.119 421 Q HA -0.018 4.324 4.340 0.003 0.000 0.201 421 Q C 2.218 178.204 176.000 -0.022 0.000 0.972 421 Q CA 1.152 56.962 55.803 0.010 0.000 0.847 421 Q CB -0.214 28.546 28.738 0.037 0.000 0.903 421 Q HN 0.519 nan 8.270 nan 0.000 0.433 422 I N 0.733 121.274 120.570 -0.048 0.000 2.142 422 I HA -0.261 3.911 4.170 0.003 0.000 0.240 422 I C 2.516 178.602 176.117 -0.052 0.000 1.078 422 I CA 1.731 62.990 61.300 -0.069 0.000 1.343 422 I CB -0.506 37.443 38.000 -0.086 0.000 1.046 422 I HN 0.425 nan 8.210 nan 0.000 0.405 423 T N -2.641 111.894 114.554 -0.033 0.000 2.951 423 T HA -0.062 4.290 4.350 0.003 0.000 0.268 423 T C 1.926 176.614 174.700 -0.020 0.000 1.073 423 T CA 1.290 63.376 62.100 -0.024 0.000 1.134 423 T CB -0.287 68.574 68.868 -0.011 0.000 0.884 423 T HN 0.158 nan 8.240 nan 0.000 0.479 424 S N 1.867 117.558 115.700 -0.015 0.000 2.368 424 S HA 0.150 4.622 4.470 0.003 0.000 0.224 424 S C 2.612 177.201 174.600 -0.018 0.000 1.029 424 S CA 0.927 59.120 58.200 -0.011 0.000 0.988 424 S CB -0.752 62.447 63.200 -0.001 0.000 0.838 424 S HN 0.767 nan 8.310 nan 0.000 0.462 425 A N 1.267 124.072 122.820 -0.026 0.000 1.969 425 A HA 0.010 4.332 4.320 0.003 0.000 0.218 425 A C 2.102 179.656 177.584 -0.049 0.000 1.169 425 A CA 1.194 53.210 52.037 -0.035 0.000 0.635 425 A CB -0.555 18.421 19.000 -0.041 0.000 0.810 425 A HN 0.468 nan 8.150 nan 0.000 0.445 426 M N -0.986 118.582 119.600 -0.053 0.000 2.132 426 M HA -0.106 4.376 4.480 0.003 0.000 0.263 426 M C 2.102 178.378 176.300 -0.040 0.000 1.065 426 M CA 1.244 56.511 55.300 -0.057 0.000 1.122 426 M CB -0.435 32.133 32.600 -0.054 0.000 1.365 426 M HN 0.226 nan 8.290 nan 0.000 0.411 427 V N 0.518 120.414 119.914 -0.030 0.000 2.255 427 V HA -0.280 3.842 4.120 0.003 0.000 0.247 427 V C 2.319 178.398 176.094 -0.024 0.000 1.051 427 V CA 2.356 64.642 62.300 -0.023 0.000 1.018 427 V CB -0.702 31.112 31.823 -0.016 0.000 0.641 427 V HN 0.469 nan 8.190 nan 0.000 0.445 428 E N 0.182 120.368 120.200 -0.024 0.000 2.085 428 E HA -0.201 4.151 4.350 0.003 0.000 0.194 428 E C 1.974 178.557 176.600 -0.029 0.000 0.994 428 E CA 1.814 58.200 56.400 -0.023 0.000 0.801 428 E CB -0.369 29.320 29.700 -0.019 0.000 0.743 428 E HN 0.369 nan 8.360 nan 0.000 0.453 429 V N 0.604 120.495 119.914 -0.038 0.000 2.427 429 V HA -0.225 3.897 4.120 0.003 0.000 0.248 429 V C 2.342 178.412 176.094 -0.040 0.000 1.051 429 V CA 1.727 64.000 62.300 -0.045 0.000 1.048 429 V CB -0.849 30.936 31.823 -0.062 0.000 0.666 429 V HN 0.478 nan 8.190 nan 0.000 0.456 430 A N -0.096 122.701 122.820 -0.037 0.000 1.969 430 A HA -0.222 4.099 4.320 0.003 0.000 0.218 430 A C 2.389 179.955 177.584 -0.030 0.000 1.169 430 A CA 1.878 53.894 52.037 -0.035 0.000 0.635 430 A CB -0.503 18.477 19.000 -0.032 0.000 0.810 430 A HN 0.495 nan 8.150 nan 0.000 0.445 431 R N -0.224 120.260 120.500 -0.026 0.000 2.070 431 R HA -0.046 4.296 4.340 0.003 0.000 0.233 431 R C 1.956 178.243 176.300 -0.022 0.000 1.137 431 R CA 1.553 57.640 56.100 -0.022 0.000 0.945 431 R CB -0.455 29.834 30.300 -0.018 0.000 0.845 431 R HN 0.495 nan 8.270 nan 0.000 0.430 432 L N 0.521 121.729 121.223 -0.023 0.000 2.129 432 L HA -0.204 4.138 4.340 0.003 0.000 0.212 432 L C 2.411 179.265 176.870 -0.025 0.000 1.087 432 L CA 1.000 55.826 54.840 -0.023 0.000 0.757 432 L CB -0.379 41.665 42.059 -0.025 0.000 0.896 432 L HN 0.154 nan 8.230 nan 0.000 0.434 433 V N 0.021 119.918 119.914 -0.029 0.000 2.343 433 V HA -0.211 3.911 4.120 0.003 0.000 0.247 433 V C 2.540 178.618 176.094 -0.028 0.000 1.051 433 V CA 2.055 64.337 62.300 -0.031 0.000 1.036 433 V CB -1.010 30.791 31.823 -0.037 0.000 0.654 433 V HN 0.574 nan 8.190 nan 0.000 0.451 434 G N -0.974 107.810 108.800 -0.026 0.000 2.395 434 G HA2 -0.264 3.698 3.960 0.003 0.000 0.214 434 G HA3 -0.264 3.698 3.960 0.003 0.000 0.214 434 G C 1.810 176.698 174.900 -0.020 0.000 1.177 434 G CA 1.166 46.252 45.100 -0.023 0.000 0.794 434 G HN 0.522 nan 8.290 nan 0.000 0.532 435 S N -0.700 114.989 115.700 -0.019 0.000 2.426 435 S HA -0.190 4.282 4.470 0.003 0.000 0.259 435 S C 1.165 175.756 174.600 -0.015 0.000 1.096 435 S CA 1.464 59.655 58.200 -0.016 0.000 1.219 435 S CB -0.315 62.875 63.200 -0.016 0.000 1.124 435 S HN 0.110 nan 8.310 nan 0.000 0.436 436 L N 0.000 121.213 121.223 -0.016 0.000 2.949 436 L HA 0.000 4.342 4.340 0.003 0.000 0.249 436 L CA 0.000 54.831 54.840 -0.015 0.000 0.813 436 L CB 0.000 42.050 42.059 -0.014 0.000 0.961 436 L HN 0.000 nan 8.230 nan 0.000 0.502