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 1r1j_1_A DATA FIRST_RESID 54 DATA SEQUENCE GIcKSSDcIK SAARLIQNMD ATTEPcTDFF KYAcGGWLKR NVIPETSSRY DATA SEQUENCE GNFDILRDEL EVVLKDVLQE PKTEDIVAVQ KAKALYRScI NESAIDSRGG DATA SEQUENCE EPLLKLLPDI YGWPVATENW EQKYGASWTA EKAIAQLNSK YGKKVLINLF DATA SEQUENCE VGTDDKNSVN HVIHIDQPRL GLPSRDYYEc TGIYKEAcTA YVDFMISVAR DATA SEQUENCE LIRQEERLPI DENQLALEMN KVMELEKEIA NATAKPEDRN DPMLLYNKMT DATA SEQUENCE LAQIQNNFSL EINGKPFSWL NFTNEIMSTV NISITNEEDV VVYAPEYLTK DATA SEQUENCE LKPILTKYSA RDLQNLMSWR FIMDLVSSLS RTYKESRNAF RKALYGTTSE DATA SEQUENCE TATWRRcANY VNGNMENAVG RLYVEAAFAG ESKHVVEDLI AQIREVFIQT DATA SEQUENCE LDDLTWMDAE TKKRAEEKAL AIKERIGYPD DIVSNDNKLN NEYLELNYKE DATA SEQUENCE DEYFENIIQN LKFSQSKQLK KLREKVDKDE WISGAAVVNA FYSSGRNQIV DATA SEQUENCE FPAGILQPPF FSAQQSNSLN YGGIGMVIGH EITHGFDDNG RNFNKDGDLV DATA SEQUENCE DWWTQQSASN FKEQSQcMVY QYGNFSWDLA GGQHLNGINT LGENIADNGG DATA SEQUENCE LGQAYRAYQN YIKKNGEEKL LPGLDLNHKQ LFFLNFAQVW cGTYRPEYAV DATA SEQUENCE NSIKTDVHSP GNFRIIGTLQ NSAEFSEAFH cRKNSYMNPE KKcRVW 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 54 G HA2 0.000 nan 3.960 nan 0.000 0.244 54 G HA3 0.000 3.963 3.960 0.005 0.000 0.244 54 G C 0.000 174.911 174.900 0.018 0.000 0.946 54 G CA 0.000 45.110 45.100 0.016 0.000 0.502 55 I N 2.125 122.705 120.570 0.017 0.000 2.598 55 I HA 0.195 4.368 4.170 0.005 0.000 0.284 55 I C 1.391 177.528 176.117 0.033 0.000 1.140 55 I CA -1.547 59.767 61.300 0.022 0.000 1.420 55 I CB 0.036 38.047 38.000 0.019 0.000 1.387 55 I HN 0.136 nan 8.210 nan 0.000 0.553 56 c N 8.377 127.006 118.600 0.048 0.000 2.590 56 c HA 0.064 4.637 4.570 0.005 0.000 0.411 56 c C 1.437 175.551 174.090 0.040 0.000 1.420 56 c CA -0.230 56.131 56.329 0.053 0.000 1.643 56 c CB -1.027 41.531 42.510 0.079 0.000 2.528 56 c HN 0.894 nan 8.230 nan 0.000 0.606 57 K N 4.291 124.710 120.400 0.032 0.000 2.564 57 K HA 0.172 4.495 4.320 0.005 0.000 0.205 57 K C 0.391 177.003 176.600 0.019 0.000 1.053 57 K CA -0.072 56.229 56.287 0.023 0.000 1.072 57 K CB 0.093 32.604 32.500 0.019 0.000 0.822 57 K HN 0.665 nan 8.250 nan 0.000 0.497 58 S N 0.198 115.911 115.700 0.021 0.000 2.576 58 S HA 0.008 4.481 4.470 0.005 0.000 0.276 58 S C 1.343 175.948 174.600 0.008 0.000 1.339 58 S CA -0.225 57.983 58.200 0.014 0.000 1.039 58 S CB 1.779 64.987 63.200 0.014 0.000 0.902 58 S HN 0.214 nan 8.310 nan 0.000 0.516 59 S N 1.303 117.004 115.700 0.002 0.000 2.383 59 S HA -0.170 4.303 4.470 0.005 0.000 0.229 59 S C 1.322 175.918 174.600 -0.007 0.000 1.030 59 S CA 1.654 59.853 58.200 -0.002 0.000 1.002 59 S CB -0.820 62.377 63.200 -0.006 0.000 0.829 59 S HN 0.809 nan 8.310 nan 0.000 0.467 60 D N 0.107 120.500 120.400 -0.011 0.000 2.264 60 D HA -0.028 4.615 4.640 0.005 0.000 0.208 60 D C 1.938 178.231 176.300 -0.012 0.000 0.966 60 D CA 0.765 54.752 54.000 -0.021 0.000 0.864 60 D CB -0.235 40.544 40.800 -0.035 0.000 0.933 60 D HN 0.441 nan 8.370 nan 0.000 0.499 61 c N 0.582 119.185 118.600 0.004 0.000 2.486 61 c HA -0.075 4.498 4.570 0.005 0.000 0.279 61 c C 2.558 176.659 174.090 0.020 0.000 1.302 61 c CA 0.099 56.441 56.329 0.021 0.000 1.720 61 c CB -0.656 41.877 42.510 0.037 0.000 2.030 61 c HN 0.414 nan 8.230 nan 0.000 0.490 62 I N 0.096 120.674 120.570 0.013 0.000 3.059 62 I HA 0.081 4.254 4.170 0.005 0.000 0.270 62 I C 1.925 178.044 176.117 0.004 0.000 1.238 62 I CA 1.448 62.755 61.300 0.012 0.000 1.478 62 I CB -0.812 37.194 38.000 0.010 0.000 1.097 62 I HN 0.063 nan 8.210 nan 0.000 0.455 63 K N 1.399 121.798 120.400 -0.002 0.000 1.984 63 K HA -0.100 4.223 4.320 0.005 0.000 0.209 63 K C 2.270 178.864 176.600 -0.011 0.000 1.046 63 K CA 2.178 58.459 56.287 -0.009 0.000 0.934 63 K CB -0.196 32.294 32.500 -0.017 0.000 0.717 63 K HN 0.599 nan 8.250 nan 0.000 0.438 64 S N 0.577 116.269 115.700 -0.013 0.000 2.371 64 S HA -0.059 4.414 4.470 0.005 0.000 0.224 64 S C 2.237 176.837 174.600 -0.000 0.000 1.029 64 S CA 0.793 58.983 58.200 -0.017 0.000 0.978 64 S CB -0.403 62.784 63.200 -0.022 0.000 0.833 64 S HN 0.329 nan 8.310 nan 0.000 0.466 65 A N 2.602 125.431 122.820 0.016 0.000 1.892 65 A HA 0.062 4.385 4.320 0.005 0.000 0.218 65 A C 2.542 180.133 177.584 0.011 0.000 1.188 65 A CA 2.119 54.171 52.037 0.025 0.000 0.631 65 A CB -1.577 17.442 19.000 0.032 0.000 0.822 65 A HN 0.784 nan 8.150 nan 0.000 0.447 66 A N -0.686 122.137 122.820 0.005 0.000 1.917 66 A HA -0.230 4.093 4.320 0.005 0.000 0.219 66 A C 2.317 179.899 177.584 -0.003 0.000 1.182 66 A CA 1.915 53.953 52.037 0.001 0.000 0.633 66 A CB -0.532 18.468 19.000 -0.000 0.000 0.819 66 A HN 0.479 nan 8.150 nan 0.000 0.448 67 R N -0.229 120.267 120.500 -0.007 0.000 2.073 67 R HA -0.014 4.329 4.340 0.005 0.000 0.229 67 R C 2.070 178.359 176.300 -0.018 0.000 1.120 67 R CA 1.497 57.590 56.100 -0.012 0.000 0.967 67 R CB -0.623 29.660 30.300 -0.028 0.000 0.862 67 R HN 0.551 nan 8.270 nan 0.000 0.436 68 L N 0.515 121.728 121.223 -0.018 0.000 1.989 68 L HA -0.209 4.134 4.340 0.005 0.000 0.211 68 L C 2.592 179.440 176.870 -0.036 0.000 1.071 68 L CA 1.428 56.256 54.840 -0.021 0.000 0.749 68 L CB -0.469 41.599 42.059 0.014 0.000 0.890 68 L HN 0.142 nan 8.230 nan 0.000 0.431 69 I N -0.641 119.917 120.570 -0.021 0.000 2.118 69 I HA -0.363 3.809 4.170 0.005 0.000 0.241 69 I C 2.605 178.697 176.117 -0.042 0.000 1.070 69 I CA 1.583 62.865 61.300 -0.030 0.000 1.327 69 I CB -0.268 37.726 38.000 -0.011 0.000 1.034 69 I HN 0.318 nan 8.210 nan 0.000 0.405 70 Q N -0.009 119.777 119.800 -0.024 0.000 2.230 70 Q HA -0.112 4.230 4.340 0.005 0.000 0.202 70 Q C 1.864 177.859 176.000 -0.009 0.000 0.963 70 Q CA 0.911 56.704 55.803 -0.017 0.000 0.866 70 Q CB 0.028 28.765 28.738 -0.002 0.000 0.931 70 Q HN 0.459 nan 8.270 nan 0.000 0.452 71 N N 0.172 118.868 118.700 -0.007 0.000 2.333 71 N HA -0.008 4.735 4.740 0.005 0.000 0.178 71 N C 0.806 176.271 175.510 -0.074 0.000 1.018 71 N CA 0.561 53.622 53.050 0.018 0.000 0.882 71 N CB 0.059 38.546 38.487 -0.000 0.000 0.984 71 N HN 0.375 nan 8.380 nan 0.000 0.434 72 M N 0.001 119.509 119.600 -0.152 0.000 2.283 72 M HA 0.342 4.825 4.480 0.005 0.000 0.314 72 M C -0.947 175.203 176.300 -0.250 0.000 1.153 72 M CA -0.265 54.858 55.300 -0.295 0.000 1.084 72 M CB 1.346 33.686 32.600 -0.433 0.000 1.468 72 M HN -0.258 nan 8.290 nan 0.000 0.474 73 D N 1.304 121.522 120.400 -0.302 0.000 2.469 73 D HA 0.530 5.173 4.640 0.005 0.000 0.251 73 D C 0.294 176.510 176.300 -0.140 0.000 1.173 73 D CA -0.329 53.566 54.000 -0.176 0.000 0.882 73 D CB 1.703 42.436 40.800 -0.111 0.000 1.129 73 D HN 0.739 nan 8.370 nan 0.000 0.549 74 A N 2.585 125.356 122.820 -0.083 0.000 2.067 74 A HA -0.080 4.243 4.320 0.005 0.000 0.219 74 A C 1.881 179.538 177.584 0.122 0.000 1.158 74 A CA 1.647 53.713 52.037 0.048 0.000 0.661 74 A CB -0.733 18.301 19.000 0.056 0.000 0.801 74 A HN 0.656 nan 8.150 nan 0.000 0.452 75 T N -2.619 111.972 114.554 0.062 0.000 2.977 75 T HA -0.017 4.336 4.350 0.005 0.000 0.271 75 T C 0.805 175.559 174.700 0.089 0.000 1.105 75 T CA 1.381 63.520 62.100 0.064 0.000 1.116 75 T CB -0.587 68.299 68.868 0.031 0.000 0.878 75 T HN 0.257 nan 8.240 nan 0.000 0.509 76 T N 2.498 117.130 114.554 0.130 0.000 2.829 76 T HA 0.403 4.756 4.350 0.005 0.000 0.282 76 T C -0.349 174.461 174.700 0.184 0.000 0.990 76 T CA -0.620 61.563 62.100 0.139 0.000 1.028 76 T CB 1.667 70.606 68.868 0.118 0.000 0.951 76 T HN 0.285 nan 8.240 nan 0.000 0.460 77 E N 4.516 124.782 120.200 0.108 0.000 2.220 77 E HA 0.174 4.527 4.350 0.005 0.000 0.272 77 E C -1.856 174.757 176.600 0.021 0.000 1.099 77 E CA -2.016 54.423 56.400 0.065 0.000 0.907 77 E CB 0.916 30.658 29.700 0.070 0.000 1.022 77 E HN 0.173 nan 8.360 nan 0.000 0.428 78 P HA -0.117 nan 4.420 nan 0.000 0.221 78 P C 0.357 177.732 177.300 0.125 0.000 1.145 78 P CA 0.847 63.810 63.100 -0.228 0.000 0.795 78 P CB 0.223 31.415 31.700 -0.846 0.000 0.775 79 c N -2.314 116.336 118.600 0.083 0.000 2.562 79 c HA 0.101 4.674 4.570 0.005 0.000 0.266 79 c C 2.358 176.562 174.090 0.189 0.000 1.382 79 c CA 0.943 57.365 56.329 0.156 0.000 1.742 79 c CB -1.662 40.907 42.510 0.098 0.000 1.812 79 c HN 0.291 nan 8.230 nan 0.000 0.559 80 T N -1.063 113.594 114.554 0.172 0.000 3.046 80 T HA 0.026 4.379 4.350 0.005 0.000 0.242 80 T C 0.237 175.068 174.700 0.219 0.000 1.018 80 T CA 1.082 63.289 62.100 0.178 0.000 1.131 80 T CB 0.087 69.016 68.868 0.102 0.000 0.904 80 T HN 0.384 nan 8.240 nan 0.000 0.459 81 D N -0.160 120.362 120.400 0.202 0.000 2.474 81 D HA 0.128 4.771 4.640 0.005 0.000 0.234 81 D C -0.398 176.043 176.300 0.235 0.000 1.323 81 D CA -0.471 53.658 54.000 0.215 0.000 0.915 81 D CB -0.073 40.795 40.800 0.113 0.000 1.487 81 D HN 0.010 nan 8.370 nan 0.000 0.524 82 F N 2.345 122.361 119.950 0.110 0.000 2.546 82 F HA 0.077 4.607 4.527 0.005 0.000 0.298 82 F C 1.407 177.323 175.800 0.194 0.000 1.120 82 F CA 0.647 58.713 58.000 0.111 0.000 1.456 82 F CB -0.077 38.914 39.000 -0.016 0.000 1.088 82 F HN 0.413 nan 8.300 nan 0.000 0.572 83 F N 0.532 120.520 119.950 0.064 0.000 2.113 83 F HA -0.155 4.375 4.527 0.005 0.000 0.297 83 F C 2.369 178.137 175.800 -0.054 0.000 1.103 83 F CA 1.521 59.502 58.000 -0.031 0.000 1.248 83 F CB -0.263 38.686 39.000 -0.085 0.000 0.999 83 F HN -0.265 nan 8.300 nan 0.000 0.475 84 K N -0.592 119.714 120.400 -0.156 0.000 2.057 84 K HA -0.225 4.097 4.320 0.005 0.000 0.206 84 K C 1.980 178.469 176.600 -0.185 0.000 1.050 84 K CA 1.646 57.791 56.287 -0.236 0.000 0.935 84 K CB -0.666 31.797 32.500 -0.061 0.000 0.715 84 K HN 0.369 nan 8.250 nan 0.000 0.439 85 Y N 1.395 121.545 120.300 -0.250 0.000 2.070 85 Y HA -0.309 4.244 4.550 0.005 0.000 0.280 85 Y C 2.134 177.804 175.900 -0.384 0.000 1.148 85 Y CA 1.897 59.816 58.100 -0.303 0.000 1.125 85 Y CB -0.479 37.746 38.460 -0.392 0.000 0.975 85 Y HN 0.063 nan 8.280 nan 0.000 0.492 86 A N -1.718 120.812 122.820 -0.483 0.000 1.969 86 A HA -0.151 4.172 4.320 0.005 0.000 0.218 86 A C 2.002 179.387 177.584 -0.333 0.000 1.169 86 A CA 1.764 53.525 52.037 -0.459 0.000 0.635 86 A CB -1.086 17.727 19.000 -0.312 0.000 0.810 86 A HN 0.610 nan 8.150 nan 0.000 0.445 87 c N -2.481 115.898 118.600 -0.369 0.000 3.785 87 c HA 0.352 4.924 4.570 0.005 0.000 0.312 87 c C 2.462 176.405 174.090 -0.245 0.000 1.566 87 c CA -0.463 55.673 56.329 -0.322 0.000 1.837 87 c CB -0.333 41.863 42.510 -0.525 0.000 2.826 87 c HN 0.646 nan 8.230 nan 0.000 0.667 88 G N 1.277 109.914 108.800 -0.271 0.000 2.443 88 G HA2 0.047 4.010 3.960 0.005 0.000 0.219 88 G HA3 0.047 4.010 3.960 0.005 0.000 0.219 88 G C 1.689 176.536 174.900 -0.089 0.000 1.131 88 G CA 1.303 46.293 45.100 -0.184 0.000 0.775 88 G HN 0.548 nan 8.290 nan 0.000 0.547 89 G N -0.016 108.735 108.800 -0.081 0.000 2.421 89 G HA2 -0.253 3.709 3.960 0.005 0.000 0.216 89 G HA3 -0.253 3.709 3.960 0.005 0.000 0.216 89 G C 1.556 176.457 174.900 0.001 0.000 1.171 89 G CA 0.847 45.920 45.100 -0.045 0.000 0.775 89 G HN 0.462 nan 8.290 nan 0.000 0.543 90 W N 0.687 121.917 121.300 -0.118 0.000 2.358 90 W HA -0.052 4.611 4.660 0.005 0.000 0.303 90 W C 2.260 178.750 176.519 -0.048 0.000 1.208 90 W CA 0.762 58.060 57.345 -0.078 0.000 1.274 90 W CB -0.111 29.297 29.460 -0.086 0.000 1.138 90 W HN 0.050 nan 8.180 nan 0.000 0.515 91 L N 1.234 122.582 121.223 0.208 0.000 2.012 91 L HA -0.238 4.104 4.340 0.005 0.000 0.210 91 L C 2.425 179.263 176.870 -0.053 0.000 1.073 91 L CA 2.178 57.104 54.840 0.142 0.000 0.748 91 L CB -1.961 40.152 42.059 0.090 0.000 0.891 91 L HN 0.098 nan 8.230 nan 0.000 0.431 92 K N -0.186 120.172 120.400 -0.070 0.000 2.097 92 K HA -0.164 4.159 4.320 0.005 0.000 0.205 92 K C 2.232 178.749 176.600 -0.138 0.000 1.050 92 K CA 1.200 57.438 56.287 -0.083 0.000 0.938 92 K CB 0.098 32.559 32.500 -0.064 0.000 0.718 92 K HN 0.180 nan 8.250 nan 0.000 0.442 93 R N 0.027 120.401 120.500 -0.209 0.000 2.153 93 R HA 0.064 4.407 4.340 0.005 0.000 0.218 93 R C 0.568 176.693 176.300 -0.292 0.000 1.072 93 R CA 0.434 56.396 56.100 -0.230 0.000 0.990 93 R CB 0.135 30.293 30.300 -0.236 0.000 0.889 93 R HN 0.128 nan 8.270 nan 0.000 0.452 94 N N -0.473 117.961 118.700 -0.444 0.000 2.328 94 N HA 0.351 5.093 4.740 0.005 0.000 0.299 94 N C -1.558 173.772 175.510 -0.299 0.000 1.179 94 N CA -0.395 52.373 53.050 -0.470 0.000 0.793 94 N CB 2.575 40.498 38.487 -0.940 0.000 1.366 94 N HN -0.271 nan 8.380 nan 0.000 0.493 95 V N 1.912 121.713 119.914 -0.189 0.000 2.789 95 V HA 0.451 4.574 4.120 0.005 0.000 0.311 95 V C 0.156 176.167 176.094 -0.138 0.000 1.073 95 V CA -0.832 61.402 62.300 -0.110 0.000 0.921 95 V CB 2.114 33.879 31.823 -0.097 0.000 1.009 95 V HN 0.530 nan 8.190 nan 0.000 0.426 96 I N 5.860 126.401 120.570 -0.049 0.000 2.664 96 I HA 0.096 4.269 4.170 0.005 0.000 0.284 96 I C -1.915 174.074 176.117 -0.214 0.000 1.154 96 I CA -1.016 60.218 61.300 -0.109 0.000 1.402 96 I CB 0.325 38.352 38.000 0.045 0.000 1.395 96 I HN 0.417 nan 8.210 nan 0.000 0.545 97 P HA -0.046 nan 4.420 nan 0.000 0.269 97 P C 0.539 177.747 177.300 -0.153 0.000 1.211 97 P CA -0.071 62.866 63.100 -0.272 0.000 0.781 97 P CB 0.500 31.996 31.700 -0.340 0.000 0.877 98 E N 0.172 120.306 120.200 -0.110 0.000 2.418 98 E HA -0.080 4.272 4.350 0.005 0.000 0.197 98 E C 1.282 177.840 176.600 -0.071 0.000 1.026 98 E CA 1.376 57.733 56.400 -0.072 0.000 0.862 98 E CB -0.638 29.028 29.700 -0.056 0.000 0.799 98 E HN 0.604 nan 8.360 nan 0.000 0.518 99 T N -2.623 111.874 114.554 -0.094 0.000 3.086 99 T HA 0.188 4.541 4.350 0.005 0.000 0.250 99 T C 0.857 175.493 174.700 -0.107 0.000 1.074 99 T CA -0.339 61.702 62.100 -0.099 0.000 0.988 99 T CB 0.335 69.137 68.868 -0.110 0.000 0.988 99 T HN -0.198 nan 8.240 nan 0.000 0.530 100 S N 1.745 117.388 115.700 -0.095 0.000 2.454 100 S HA 0.450 4.923 4.470 0.005 0.000 0.306 100 S C 1.080 175.647 174.600 -0.055 0.000 1.100 100 S CA -0.682 57.475 58.200 -0.072 0.000 1.087 100 S CB 1.797 64.981 63.200 -0.026 0.000 1.019 100 S HN 0.492 nan 8.310 nan 0.000 0.480 101 S N 2.091 117.722 115.700 -0.115 0.000 2.496 101 S HA 0.157 4.630 4.470 0.005 0.000 0.224 101 S C 0.665 175.276 174.600 0.019 0.000 0.996 101 S CA -0.051 58.093 58.200 -0.094 0.000 0.927 101 S CB 0.116 63.069 63.200 -0.412 0.000 0.774 101 S HN 0.707 nan 8.310 nan 0.000 0.524 102 R N -1.036 119.451 120.500 -0.021 0.000 2.680 102 R HA 0.540 4.882 4.340 0.005 0.000 0.269 102 R C -2.449 173.935 176.300 0.140 0.000 1.026 102 R CA -0.680 55.406 56.100 -0.023 0.000 0.889 102 R CB 1.429 31.596 30.300 -0.222 0.000 1.241 102 R HN 0.210 nan 8.270 nan 0.000 0.463 103 Y N 0.805 121.107 120.300 0.003 0.000 2.609 103 Y HA 0.670 5.223 4.550 0.005 0.000 0.336 103 Y C -0.391 175.577 175.900 0.113 0.000 1.129 103 Y CA 0.554 58.731 58.100 0.129 0.000 1.040 103 Y CB 2.471 41.081 38.460 0.249 0.000 1.310 103 Y HN 0.934 nan 8.280 nan 0.000 0.460 104 G N 2.539 111.058 108.800 -0.468 0.000 2.362 104 G HA2 -0.070 3.893 3.960 0.005 0.000 0.288 104 G HA3 -0.070 3.893 3.960 0.005 0.000 0.288 104 G C -0.500 174.042 174.900 -0.596 0.000 1.305 104 G CA -0.246 44.371 45.100 -0.806 0.000 0.910 104 G HN 0.882 nan 8.290 nan 0.000 0.518 105 N N -1.083 117.272 118.700 -0.575 0.000 2.142 105 N HA -0.001 4.742 4.740 0.005 0.000 0.186 105 N C 1.993 177.367 175.510 -0.226 0.000 1.023 105 N CA 2.318 55.132 53.050 -0.393 0.000 0.852 105 N CB -0.136 38.093 38.487 -0.430 0.000 0.998 105 N HN 0.423 nan 8.380 nan 0.000 0.424 106 F N 1.348 121.140 119.950 -0.263 0.000 2.102 106 F HA -0.165 4.365 4.527 0.005 0.000 0.298 106 F C 1.956 177.695 175.800 -0.101 0.000 1.105 106 F CA 1.728 59.642 58.000 -0.144 0.000 1.239 106 F CB -0.166 38.764 39.000 -0.117 0.000 0.991 106 F HN 0.139 nan 8.300 nan 0.000 0.474 107 D N 0.208 120.669 120.400 0.101 0.000 2.178 107 D HA -0.172 4.471 4.640 0.005 0.000 0.201 107 D C 2.462 178.754 176.300 -0.013 0.000 0.980 107 D CA 1.416 55.453 54.000 0.061 0.000 0.842 107 D CB -0.239 40.595 40.800 0.056 0.000 0.948 107 D HN 0.356 nan 8.370 nan 0.000 0.472 108 I N 0.905 121.391 120.570 -0.140 0.000 2.202 108 I HA -0.228 3.945 4.170 0.005 0.000 0.242 108 I C 2.517 178.615 176.117 -0.031 0.000 1.091 108 I CA 0.628 61.878 61.300 -0.082 0.000 1.368 108 I CB -0.202 37.722 38.000 -0.127 0.000 1.058 108 I HN -0.035 nan 8.210 nan 0.000 0.410 109 L N 0.256 121.424 121.223 -0.091 0.000 2.081 109 L HA -0.246 4.097 4.340 0.005 0.000 0.212 109 L C 2.716 179.557 176.870 -0.049 0.000 1.080 109 L CA 1.527 56.312 54.840 -0.091 0.000 0.754 109 L CB -0.545 41.392 42.059 -0.204 0.000 0.893 109 L HN 0.205 nan 8.230 nan 0.000 0.433 110 R N -0.462 120.017 120.500 -0.036 0.000 2.115 110 R HA -0.114 4.229 4.340 0.005 0.000 0.226 110 R C 1.855 178.179 176.300 0.040 0.000 1.100 110 R CA 1.140 57.243 56.100 0.006 0.000 0.980 110 R CB -0.142 30.189 30.300 0.052 0.000 0.875 110 R HN 0.316 nan 8.270 nan 0.000 0.445 111 D N 0.434 120.872 120.400 0.064 0.000 2.178 111 D HA -0.123 4.520 4.640 0.005 0.000 0.202 111 D C 1.486 177.865 176.300 0.131 0.000 0.974 111 D CA 1.110 55.167 54.000 0.094 0.000 0.841 111 D CB 0.033 40.911 40.800 0.129 0.000 0.953 111 D HN 0.327 nan 8.370 nan 0.000 0.478 112 E N 0.180 120.444 120.200 0.107 0.000 2.107 112 E HA -0.083 4.270 4.350 0.005 0.000 0.191 112 E C 2.168 178.850 176.600 0.137 0.000 0.982 112 E CA 0.113 56.585 56.400 0.120 0.000 0.809 112 E CB -0.001 29.750 29.700 0.086 0.000 0.756 112 E HN 0.168 nan 8.360 nan 0.000 0.459 113 L N 1.488 122.775 121.223 0.106 0.000 2.046 113 L HA -0.201 4.142 4.340 0.005 0.000 0.208 113 L C 1.957 178.903 176.870 0.127 0.000 1.077 113 L CA 1.585 56.489 54.840 0.107 0.000 0.747 113 L CB -0.010 42.030 42.059 -0.032 0.000 0.896 113 L HN 0.041 nan 8.230 nan 0.000 0.432 114 E N -1.060 119.225 120.200 0.141 0.000 2.204 114 E HA -0.205 4.148 4.350 0.005 0.000 0.195 114 E C 2.168 178.998 176.600 0.384 0.000 0.990 114 E CA 1.266 57.803 56.400 0.229 0.000 0.821 114 E CB -0.096 29.709 29.700 0.176 0.000 0.750 114 E HN 0.405 nan 8.360 nan 0.000 0.477 115 V N 0.734 120.843 119.914 0.325 0.000 2.307 115 V HA -0.239 3.884 4.120 0.005 0.000 0.245 115 V C 2.304 178.446 176.094 0.079 0.000 1.045 115 V CA 1.364 63.792 62.300 0.213 0.000 1.024 115 V CB -0.304 31.617 31.823 0.164 0.000 0.651 115 V HN 0.149 nan 8.190 nan 0.000 0.449 116 V N -0.093 119.894 119.914 0.121 0.000 2.332 116 V HA -0.296 3.827 4.120 0.005 0.000 0.248 116 V C 2.339 178.481 176.094 0.079 0.000 1.055 116 V CA 2.003 64.365 62.300 0.103 0.000 1.038 116 V CB -0.677 31.271 31.823 0.208 0.000 0.651 116 V HN 0.438 nan 8.190 nan 0.000 0.450 117 L N -0.147 121.145 121.223 0.115 0.000 2.012 117 L HA -0.241 4.102 4.340 0.005 0.000 0.210 117 L C 2.658 179.484 176.870 -0.073 0.000 1.073 117 L CA 2.192 57.060 54.840 0.047 0.000 0.748 117 L CB -0.746 41.357 42.059 0.074 0.000 0.891 117 L HN 0.370 nan 8.230 nan 0.000 0.431 118 K N 0.282 120.661 120.400 -0.034 0.000 2.032 118 K HA -0.245 4.078 4.320 0.005 0.000 0.209 118 K C 1.656 178.108 176.600 -0.247 0.000 1.048 118 K CA 2.091 58.258 56.287 -0.200 0.000 0.927 118 K CB -0.065 32.194 32.500 -0.402 0.000 0.712 118 K HN 0.217 nan 8.250 nan 0.000 0.441 119 D N 0.158 120.457 120.400 -0.168 0.000 2.178 119 D HA -0.138 4.505 4.640 0.005 0.000 0.201 119 D C 1.776 178.002 176.300 -0.123 0.000 0.980 119 D CA 1.496 55.415 54.000 -0.136 0.000 0.842 119 D CB 0.074 40.819 40.800 -0.091 0.000 0.948 119 D HN 0.303 nan 8.370 nan 0.000 0.472 120 V N -2.064 117.779 119.914 -0.119 0.000 3.354 120 V HA 0.119 4.242 4.120 0.005 0.000 0.258 120 V C 1.956 177.964 176.094 -0.144 0.000 1.159 120 V CA 0.538 62.777 62.300 -0.100 0.000 1.125 120 V CB -0.372 31.418 31.823 -0.056 0.000 0.774 120 V HN 0.067 nan 8.190 nan 0.000 0.464 121 L N 0.594 121.661 121.223 -0.260 0.000 2.513 121 L HA 0.139 4.482 4.340 0.005 0.000 0.222 121 L C 2.645 179.342 176.870 -0.289 0.000 1.096 121 L CA 1.024 55.647 54.840 -0.361 0.000 0.857 121 L CB -0.034 41.589 42.059 -0.727 0.000 1.026 121 L HN 0.485 nan 8.230 nan 0.000 0.469 122 Q N -0.561 119.104 119.800 -0.225 0.000 2.384 122 Q HA 0.099 4.442 4.340 0.005 0.000 0.207 122 Q C 0.361 176.363 176.000 0.004 0.000 0.904 122 Q CA 0.299 56.080 55.803 -0.037 0.000 0.933 122 Q CB 0.434 29.160 28.738 -0.020 0.000 1.077 122 Q HN 0.305 nan 8.270 nan 0.000 0.522 123 E N 2.450 122.629 120.200 -0.034 0.000 2.141 123 E HA 0.314 4.667 4.350 0.005 0.000 0.259 123 E C -2.507 174.084 176.600 -0.014 0.000 0.883 123 E CA -2.649 53.740 56.400 -0.019 0.000 0.744 123 E CB 1.550 31.230 29.700 -0.033 0.000 1.150 123 E HN 0.113 nan 8.360 nan 0.000 0.420 124 P HA -0.063 nan 4.420 nan 0.000 0.263 124 P C -0.875 176.422 177.300 -0.004 0.000 1.175 124 P CA 0.509 63.611 63.100 0.004 0.000 0.761 124 P CB 0.513 32.221 31.700 0.012 0.000 0.794 125 K N 0.981 121.377 120.400 -0.005 0.000 2.375 125 K HA 0.346 4.669 4.320 0.005 0.000 0.249 125 K C 1.152 177.750 176.600 -0.003 0.000 0.942 125 K CA -0.497 55.786 56.287 -0.007 0.000 0.806 125 K CB 1.315 33.807 32.500 -0.013 0.000 1.227 125 K HN 0.166 nan 8.250 nan 0.000 0.430 126 T N 0.876 115.428 114.554 -0.003 0.000 2.942 126 T HA -0.057 4.295 4.350 0.005 0.000 0.265 126 T C 0.434 175.134 174.700 0.001 0.000 1.062 126 T CA 1.225 63.325 62.100 -0.000 0.000 1.139 126 T CB 0.140 69.008 68.868 -0.001 0.000 0.883 126 T HN 0.546 nan 8.240 nan 0.000 0.468 127 E N 1.008 121.207 120.200 -0.001 0.000 2.419 127 E HA 0.113 4.466 4.350 0.005 0.000 0.190 127 E C -0.573 176.028 176.600 0.001 0.000 1.040 127 E CA -0.205 56.196 56.400 0.000 0.000 0.900 127 E CB 0.003 29.703 29.700 -0.001 0.000 1.054 127 E HN 0.356 nan 8.360 nan 0.000 0.462 128 D N 2.834 123.235 120.400 0.000 0.000 2.502 128 D HA 0.006 4.649 4.640 0.005 0.000 0.249 128 D C 0.885 177.189 176.300 0.007 0.000 1.188 128 D CA 0.281 54.282 54.000 0.002 0.000 0.890 128 D CB 0.342 41.143 40.800 0.001 0.000 1.140 128 D HN 0.338 nan 8.370 nan 0.000 0.505 129 I N -0.691 119.885 120.570 0.010 0.000 2.938 129 I HA -0.050 4.123 4.170 0.005 0.000 0.285 129 I C 1.465 177.594 176.117 0.020 0.000 1.182 129 I CA -0.893 60.417 61.300 0.016 0.000 1.388 129 I CB 0.551 38.565 38.000 0.022 0.000 1.390 129 I HN 0.042 nan 8.210 nan 0.000 0.600 130 V N 4.046 123.975 119.914 0.023 0.000 2.453 130 V HA -0.320 3.803 4.120 0.005 0.000 0.252 130 V C 2.735 178.844 176.094 0.025 0.000 1.068 130 V CA 2.481 64.794 62.300 0.022 0.000 1.070 130 V CB -1.297 30.539 31.823 0.021 0.000 0.664 130 V HN 1.053 nan 8.190 nan 0.000 0.461 131 A N -0.570 122.283 122.820 0.054 0.000 1.902 131 A HA -0.172 4.151 4.320 0.005 0.000 0.217 131 A C 2.399 179.966 177.584 -0.028 0.000 1.181 131 A CA 2.158 54.237 52.037 0.071 0.000 0.623 131 A CB -0.632 18.483 19.000 0.192 0.000 0.818 131 A HN 0.343 nan 8.150 nan 0.000 0.443 132 V N -0.312 119.600 119.914 -0.004 0.000 2.453 132 V HA -0.253 3.870 4.120 0.005 0.000 0.247 132 V C 2.577 178.664 176.094 -0.012 0.000 1.048 132 V CA 2.128 64.416 62.300 -0.020 0.000 1.049 132 V CB -0.700 31.117 31.823 -0.010 0.000 0.672 132 V HN 0.659 nan 8.190 nan 0.000 0.457 133 Q N -0.402 119.400 119.800 0.003 0.000 2.170 133 Q HA -0.233 4.110 4.340 0.005 0.000 0.203 133 Q C 2.229 178.254 176.000 0.040 0.000 0.976 133 Q CA 1.604 57.418 55.803 0.020 0.000 0.858 133 Q CB -0.142 28.608 28.738 0.020 0.000 0.907 133 Q HN 0.557 nan 8.270 nan 0.000 0.433 134 K N -0.219 120.198 120.400 0.028 0.000 2.167 134 K HA 0.023 4.346 4.320 0.005 0.000 0.203 134 K C 2.029 178.718 176.600 0.147 0.000 1.052 134 K CA 0.794 57.142 56.287 0.101 0.000 0.956 134 K CB 0.013 32.518 32.500 0.008 0.000 0.735 134 K HN 0.131 nan 8.250 nan 0.000 0.451 135 A N 1.971 124.796 122.820 0.008 0.000 1.873 135 A HA -0.183 4.140 4.320 0.005 0.000 0.215 135 A C 1.817 179.433 177.584 0.053 0.000 1.186 135 A CA 1.446 53.477 52.037 -0.011 0.000 0.616 135 A CB -0.247 18.705 19.000 -0.080 0.000 0.823 135 A HN 0.148 nan 8.150 nan 0.000 0.442 136 K N -0.265 120.165 120.400 0.050 0.000 2.097 136 K HA -0.082 4.241 4.320 0.005 0.000 0.206 136 K C 2.250 178.933 176.600 0.139 0.000 1.049 136 K CA 1.167 57.506 56.287 0.088 0.000 0.933 136 K CB -0.319 32.209 32.500 0.047 0.000 0.717 136 K HN 0.443 nan 8.250 nan 0.000 0.442 137 A N 1.279 124.168 122.820 0.115 0.000 1.969 137 A HA -0.114 4.209 4.320 0.005 0.000 0.218 137 A C 2.056 179.695 177.584 0.093 0.000 1.169 137 A CA 0.922 53.029 52.037 0.117 0.000 0.635 137 A CB -0.324 18.761 19.000 0.142 0.000 0.810 137 A HN 0.194 nan 8.150 nan 0.000 0.445 138 L N -1.744 119.510 121.223 0.050 0.000 2.072 138 L HA -0.049 4.294 4.340 0.005 0.000 0.205 138 L C 2.207 179.104 176.870 0.045 0.000 1.079 138 L CA 1.993 56.777 54.840 -0.093 0.000 0.752 138 L CB -1.010 40.839 42.059 -0.350 0.000 0.906 138 L HN 0.510 nan 8.230 nan 0.000 0.436 139 Y N 0.680 120.972 120.300 -0.013 0.000 2.053 139 Y HA -0.296 4.257 4.550 0.005 0.000 0.277 139 Y C 2.724 178.611 175.900 -0.023 0.000 1.159 139 Y CA 2.143 60.243 58.100 0.001 0.000 1.125 139 Y CB -0.239 38.232 38.460 0.017 0.000 0.969 139 Y HN 0.130 nan 8.280 nan 0.000 0.492 140 R N -0.267 120.241 120.500 0.014 0.000 2.120 140 R HA -0.150 4.193 4.340 0.005 0.000 0.234 140 R C 2.587 178.816 176.300 -0.119 0.000 1.123 140 R CA 1.485 57.540 56.100 -0.074 0.000 0.975 140 R CB -0.575 29.749 30.300 0.039 0.000 0.866 140 R HN 0.530 nan 8.270 nan 0.000 0.446 141 S N -0.332 115.330 115.700 -0.064 0.000 2.428 141 S HA -0.145 4.328 4.470 0.005 0.000 0.230 141 S C 2.198 176.699 174.600 -0.166 0.000 1.014 141 S CA 1.017 59.202 58.200 -0.024 0.000 0.957 141 S CB -0.290 62.960 63.200 0.084 0.000 0.784 141 S HN 0.497 nan 8.310 nan 0.000 0.499 142 c N 1.619 120.002 118.600 -0.360 0.000 2.485 142 c HA 0.407 4.980 4.570 0.005 0.000 0.277 142 c C 2.270 175.975 174.090 -0.642 0.000 1.376 142 c CA 0.152 55.950 56.329 -0.885 0.000 1.759 142 c CB -1.390 40.666 42.510 -0.758 0.000 1.970 142 c HN 0.785 nan 8.230 nan 0.000 0.509 143 I N -1.139 119.145 120.570 -0.476 0.000 3.860 143 I HA 0.270 4.443 4.170 0.005 0.000 0.319 143 I C 0.612 176.595 176.117 -0.223 0.000 1.279 143 I CA 0.301 61.385 61.300 -0.361 0.000 1.220 143 I CB -0.664 37.080 38.000 -0.427 0.000 1.027 143 I HN 0.090 nan 8.210 nan 0.000 0.428 144 N N 3.257 121.839 118.700 -0.195 0.000 2.549 144 N HA 0.018 4.761 4.740 0.005 0.000 0.267 144 N C 0.750 176.204 175.510 -0.094 0.000 1.182 144 N CA 0.225 53.208 53.050 -0.111 0.000 1.019 144 N CB 0.339 38.782 38.487 -0.072 0.000 1.380 144 N HN 0.485 nan 8.380 nan 0.000 0.505 145 E N 0.492 120.643 120.200 -0.082 0.000 2.216 145 E HA -0.128 4.225 4.350 0.005 0.000 0.192 145 E C 1.454 178.038 176.600 -0.026 0.000 0.988 145 E CA 0.371 56.735 56.400 -0.059 0.000 0.834 145 E CB 0.007 29.676 29.700 -0.051 0.000 0.772 145 E HN 0.475 nan 8.360 nan 0.000 0.479 146 S N 1.502 117.189 115.700 -0.022 0.000 2.377 146 S HA -0.287 4.186 4.470 0.005 0.000 0.224 146 S C 2.244 176.843 174.600 -0.002 0.000 1.042 146 S CA 1.767 59.962 58.200 -0.008 0.000 1.086 146 S CB -0.318 62.877 63.200 -0.008 0.000 0.995 146 S HN 0.385 nan 8.310 nan 0.000 0.428 147 A N 0.900 123.718 122.820 -0.004 0.000 1.883 147 A HA -0.038 4.285 4.320 0.005 0.000 0.217 147 A C 2.211 179.805 177.584 0.017 0.000 1.186 147 A CA 1.769 53.811 52.037 0.009 0.000 0.624 147 A CB -0.888 18.119 19.000 0.012 0.000 0.822 147 A HN 0.634 nan 8.150 nan 0.000 0.444 148 I N -0.155 120.424 120.570 0.014 0.000 2.179 148 I HA -0.246 3.927 4.170 0.005 0.000 0.242 148 I C 2.015 178.148 176.117 0.027 0.000 1.088 148 I CA 1.637 62.957 61.300 0.033 0.000 1.357 148 I CB -0.364 37.653 38.000 0.029 0.000 1.051 148 I HN 0.237 nan 8.210 nan 0.000 0.409 149 D N 0.144 120.557 120.400 0.021 0.000 2.123 149 D HA -0.181 4.462 4.640 0.005 0.000 0.196 149 D C 2.370 178.687 176.300 0.028 0.000 0.992 149 D CA 1.273 55.291 54.000 0.030 0.000 0.833 149 D CB -0.285 40.528 40.800 0.022 0.000 0.954 149 D HN 0.120 nan 8.370 nan 0.000 0.455 150 S N -0.197 115.515 115.700 0.019 0.000 2.389 150 S HA -0.217 4.256 4.470 0.005 0.000 0.231 150 S C 1.785 176.394 174.600 0.015 0.000 1.052 150 S CA 1.298 59.508 58.200 0.017 0.000 1.053 150 S CB -0.017 63.191 63.200 0.014 0.000 0.886 150 S HN 0.219 nan 8.310 nan 0.000 0.456 151 R N 0.064 120.569 120.500 0.009 0.000 2.299 151 R HA 0.204 4.547 4.340 0.005 0.000 0.197 151 R C 1.654 177.941 176.300 -0.021 0.000 0.971 151 R CA 0.401 56.494 56.100 -0.012 0.000 1.030 151 R CB -0.213 30.071 30.300 -0.027 0.000 0.932 151 R HN 0.476 nan 8.270 nan 0.000 0.477 152 G N 0.069 108.879 108.800 0.017 0.000 2.622 152 G HA2 -0.380 3.582 3.960 0.005 0.000 0.307 152 G HA3 -0.380 3.582 3.960 0.005 0.000 0.307 152 G C 0.670 175.572 174.900 0.004 0.000 1.226 152 G CA 0.091 45.231 45.100 0.068 0.000 0.997 152 G HN 0.438 nan 8.290 nan 0.000 0.551 153 G N 0.166 108.958 108.800 -0.013 0.000 3.159 153 G HA2 0.417 4.380 3.960 0.005 0.000 0.232 153 G HA3 0.417 4.380 3.960 0.005 0.000 0.232 153 G C 1.173 175.882 174.900 -0.319 0.000 1.116 153 G CA 1.459 46.348 45.100 -0.351 0.000 0.767 153 G HN 1.125 nan 8.290 nan 0.000 0.547 154 E N 1.779 121.866 120.200 -0.188 0.000 2.204 154 E HA -0.057 4.296 4.350 0.005 0.000 0.195 154 E C -0.389 176.078 176.600 -0.221 0.000 0.990 154 E CA 1.045 57.359 56.400 -0.144 0.000 0.821 154 E CB -0.995 28.660 29.700 -0.075 0.000 0.750 154 E HN 0.324 nan 8.360 nan 0.000 0.477 155 P HA -0.034 nan 4.420 nan 0.000 0.225 155 P C 1.394 178.241 177.300 -0.754 0.000 1.156 155 P CA 0.667 63.438 63.100 -0.549 0.000 0.787 155 P CB 0.043 31.266 31.700 -0.794 0.000 0.802 156 L N -0.770 120.003 121.223 -0.751 0.000 2.044 156 L HA -0.089 4.254 4.340 0.005 0.000 0.205 156 L C 2.166 178.914 176.870 -0.203 0.000 1.075 156 L CA 1.448 56.011 54.840 -0.460 0.000 0.747 156 L CB -0.700 41.081 42.059 -0.463 0.000 0.903 156 L HN -0.055 nan 8.230 nan 0.000 0.435 157 L N -0.338 120.789 121.223 -0.160 0.000 2.079 157 L HA -0.244 4.098 4.340 0.005 0.000 0.210 157 L C 2.495 179.363 176.870 -0.004 0.000 1.081 157 L CA 1.094 55.912 54.840 -0.037 0.000 0.752 157 L CB -0.574 41.475 42.059 -0.016 0.000 0.896 157 L HN 0.196 nan 8.230 nan 0.000 0.433 158 K N -0.336 120.043 120.400 -0.034 0.000 2.365 158 K HA -0.016 4.306 4.320 0.005 0.000 0.197 158 K C 1.938 178.572 176.600 0.056 0.000 1.042 158 K CA 0.568 56.866 56.287 0.017 0.000 0.987 158 K CB -0.007 32.497 32.500 0.007 0.000 0.779 158 K HN 0.138 nan 8.250 nan 0.000 0.484 159 L N 0.820 122.067 121.223 0.040 0.000 2.072 159 L HA -0.070 4.273 4.340 0.005 0.000 0.205 159 L C 1.852 178.771 176.870 0.081 0.000 1.079 159 L CA 1.182 56.076 54.840 0.090 0.000 0.752 159 L CB -0.576 41.525 42.059 0.070 0.000 0.906 159 L HN -0.004 nan 8.230 nan 0.000 0.436 160 L N 0.244 121.503 121.223 0.060 0.000 2.042 160 L HA -0.122 4.221 4.340 0.005 0.000 0.210 160 L C -0.307 176.612 176.870 0.081 0.000 1.076 160 L CA 1.968 56.852 54.840 0.074 0.000 0.749 160 L CB -2.429 39.694 42.059 0.107 0.000 0.893 160 L HN 0.192 nan 8.230 nan 0.000 0.432 161 P HA -0.143 nan 4.420 nan 0.000 0.221 161 P C 0.997 178.359 177.300 0.103 0.000 1.145 161 P CA 1.188 64.402 63.100 0.191 0.000 0.795 161 P CB 0.099 31.928 31.700 0.215 0.000 0.775 162 D N -0.973 119.485 120.400 0.097 0.000 2.347 162 D HA -0.004 4.639 4.640 0.005 0.000 0.213 162 D C 1.182 177.535 176.300 0.088 0.000 0.985 162 D CA 0.431 54.492 54.000 0.103 0.000 0.879 162 D CB -0.204 40.736 40.800 0.233 0.000 0.919 162 D HN 0.235 nan 8.370 nan 0.000 0.526 163 I N -4.377 116.245 120.570 0.086 0.000 3.833 163 I HA 0.265 4.438 4.170 0.005 0.000 0.328 163 I C -0.484 175.821 176.117 0.313 0.000 1.554 163 I CA -0.591 60.829 61.300 0.200 0.000 1.116 163 I CB -0.149 37.966 38.000 0.192 0.000 1.182 163 I HN -0.189 nan 8.210 nan 0.000 0.459 164 Y N 1.304 121.637 120.300 0.055 0.000 4.569 164 Y HA -0.125 4.428 4.550 0.005 0.000 0.237 164 Y C 1.136 176.854 175.900 -0.305 0.000 1.090 164 Y CA 0.971 59.040 58.100 -0.051 0.000 2.052 164 Y CB -1.757 36.924 38.460 0.369 0.000 1.621 164 Y HN 0.835 nan 8.280 nan 0.000 0.682 165 G N -1.309 107.346 108.800 -0.241 0.000 2.707 165 G HA2 -0.108 3.855 3.960 0.005 0.000 0.686 165 G HA3 -0.108 3.855 3.960 0.005 0.000 0.686 165 G C -1.106 173.955 174.900 0.270 0.000 1.315 165 G CA -0.554 44.463 45.100 -0.138 0.000 0.832 165 G HN 0.651 nan 8.290 nan 0.000 0.573 166 W N 3.230 124.565 121.300 0.057 0.000 2.322 166 W HA 0.644 5.306 4.660 0.004 0.000 0.321 166 W C -1.712 174.775 176.519 -0.054 0.000 0.991 166 W CA -2.530 54.815 57.345 0.000 0.000 1.448 166 W CB 1.224 30.699 29.460 0.025 0.000 1.239 166 W HN 0.410 nan 8.180 nan 0.000 0.399 167 P HA -0.287 nan 4.420 nan 0.000 0.215 167 P C 1.824 178.897 177.300 -0.378 0.000 1.163 167 P CA 2.140 64.942 63.100 -0.496 0.000 0.894 167 P CB -0.007 31.090 31.700 -1.006 0.000 0.791 168 V N -0.800 118.731 119.914 -0.638 0.000 2.867 168 V HA -0.080 4.043 4.120 0.005 0.000 0.260 168 V C 1.537 177.323 176.094 -0.513 0.000 1.099 168 V CA 2.139 64.076 62.300 -0.605 0.000 1.122 168 V CB -1.310 30.023 31.823 -0.817 0.000 0.708 168 V HN 0.107 nan 8.190 nan 0.000 0.490 169 A N -0.852 121.674 122.820 -0.489 0.000 2.574 169 A HA 0.535 4.858 4.320 0.005 0.000 0.283 169 A C 0.608 178.189 177.584 -0.004 0.000 1.270 169 A CA 0.214 52.125 52.037 -0.209 0.000 0.945 169 A CB 0.037 18.979 19.000 -0.097 0.000 1.127 169 A HN 0.479 nan 8.150 nan 0.000 0.522 170 T N 1.629 116.194 114.554 0.020 0.000 2.881 170 T HA 0.337 4.690 4.350 0.005 0.000 0.290 170 T C -0.510 174.275 174.700 0.141 0.000 1.000 170 T CA -0.669 61.529 62.100 0.165 0.000 0.978 170 T CB 1.380 70.466 68.868 0.364 0.000 0.997 170 T HN 0.551 nan 8.240 nan 0.000 0.443 171 E N 3.331 123.607 120.200 0.126 0.000 2.384 171 E HA 0.066 4.419 4.350 0.005 0.000 0.266 171 E C -0.364 176.319 176.600 0.138 0.000 1.012 171 E CA -0.552 55.908 56.400 0.099 0.000 0.901 171 E CB 0.200 29.939 29.700 0.066 0.000 0.967 171 E HN 0.585 nan 8.360 nan 0.000 0.435 172 N N 1.852 120.624 118.700 0.121 0.000 2.714 172 N HA -0.236 4.506 4.740 0.005 0.000 0.252 172 N C -0.180 175.431 175.510 0.168 0.000 1.014 172 N CA 1.075 54.192 53.050 0.112 0.000 0.735 172 N CB -1.570 36.946 38.487 0.049 0.000 0.924 172 N HN 0.838 nan 8.380 nan 0.000 0.540 173 W N 0.907 122.254 121.300 0.078 0.000 2.363 173 W HA -0.135 4.528 4.660 0.005 0.000 0.296 173 W C 1.837 178.440 176.519 0.140 0.000 1.212 173 W CA 1.793 59.243 57.345 0.174 0.000 1.260 173 W CB 0.060 29.602 29.460 0.137 0.000 1.131 173 W HN 0.228 nan 8.180 nan 0.000 0.530 174 E N -0.177 120.189 120.200 0.277 0.000 2.110 174 E HA -0.287 4.066 4.350 0.005 0.000 0.193 174 E C 2.143 178.677 176.600 -0.110 0.000 0.988 174 E CA 1.610 58.049 56.400 0.065 0.000 0.804 174 E CB -0.523 29.269 29.700 0.153 0.000 0.745 174 E HN 0.252 nan 8.360 nan 0.000 0.458 175 Q N 0.483 120.243 119.800 -0.066 0.000 2.083 175 Q HA -0.103 4.239 4.340 0.005 0.000 0.198 175 Q C 1.814 177.699 176.000 -0.191 0.000 0.969 175 Q CA 1.352 57.097 55.803 -0.096 0.000 0.838 175 Q CB 0.101 28.806 28.738 -0.054 0.000 0.900 175 Q HN 0.127 nan 8.270 nan 0.000 0.436 176 K N -1.163 119.073 120.400 -0.273 0.000 2.031 176 K HA -0.118 4.204 4.320 0.005 0.000 0.205 176 K C 1.549 177.738 176.600 -0.686 0.000 1.049 176 K CA 1.517 57.495 56.287 -0.515 0.000 0.939 176 K CB 0.062 32.187 32.500 -0.626 0.000 0.717 176 K HN 0.172 nan 8.250 nan 0.000 0.438 177 Y N -2.335 117.687 120.300 -0.464 0.000 2.652 177 Y HA 0.246 4.799 4.550 0.004 0.000 0.275 177 Y C 2.045 177.665 175.900 -0.466 0.000 1.133 177 Y CA 0.076 57.914 58.100 -0.437 0.000 1.246 177 Y CB -0.169 37.910 38.460 -0.635 0.000 1.334 177 Y HN 0.024 nan 8.280 nan 0.000 0.493 178 G N 0.018 108.377 108.800 -0.735 0.000 2.625 178 G HA2 -0.040 3.923 3.960 0.005 0.000 0.214 178 G HA3 -0.040 3.923 3.960 0.005 0.000 0.214 178 G C 1.574 176.427 174.900 -0.078 0.000 1.132 178 G CA 1.023 45.799 45.100 -0.541 0.000 0.782 178 G HN 0.409 nan 8.290 nan 0.000 0.538 179 A N 0.850 123.637 122.820 -0.055 0.000 1.943 179 A HA 0.184 4.507 4.320 0.005 0.000 0.213 179 A C 2.626 180.255 177.584 0.075 0.000 1.181 179 A CA 1.762 53.806 52.037 0.013 0.000 0.653 179 A CB -0.258 18.729 19.000 -0.022 0.000 0.833 179 A HN 0.518 nan 8.150 nan 0.000 0.451 180 S N -2.372 113.395 115.700 0.112 0.000 2.439 180 S HA -0.037 4.435 4.470 0.005 0.000 0.224 180 S C 0.582 175.308 174.600 0.209 0.000 1.029 180 S CA -0.183 58.112 58.200 0.158 0.000 0.946 180 S CB -0.804 62.506 63.200 0.184 0.000 0.797 180 S HN 0.530 nan 8.310 nan 0.000 0.504 181 W N 3.989 125.310 121.300 0.035 0.000 2.626 181 W HA 0.179 4.840 4.660 0.002 0.000 0.331 181 W C 0.416 176.883 176.519 -0.088 0.000 1.076 181 W CA 1.932 59.209 57.345 -0.113 0.000 1.239 181 W CB 0.092 29.520 29.460 -0.054 0.000 1.129 181 W HN 0.425 nan 8.180 nan 0.000 0.557 182 T N 1.851 116.014 114.554 -0.651 0.000 2.868 182 T HA 0.606 4.959 4.350 0.005 0.000 0.306 182 T C 0.600 174.474 174.700 -1.377 0.000 1.224 182 T CA -0.419 61.261 62.100 -0.700 0.000 1.012 182 T CB 1.345 70.061 68.868 -0.254 0.000 1.221 182 T HN 0.799 nan 8.240 nan 0.000 0.499 183 A N 1.334 123.567 122.820 -0.979 0.000 1.917 183 A HA -0.132 4.191 4.320 0.005 0.000 0.219 183 A C 2.158 179.503 177.584 -0.397 0.000 1.182 183 A CA 2.060 53.726 52.037 -0.618 0.000 0.633 183 A CB -0.943 18.041 19.000 -0.027 0.000 0.819 183 A HN 0.952 nan 8.150 nan 0.000 0.448 184 E N 0.603 120.611 120.200 -0.320 0.000 2.077 184 E HA -0.215 4.138 4.350 0.005 0.000 0.193 184 E C 1.732 178.255 176.600 -0.128 0.000 0.989 184 E CA 1.451 57.703 56.400 -0.247 0.000 0.800 184 E CB -0.484 28.966 29.700 -0.416 0.000 0.746 184 E HN 0.695 nan 8.360 nan 0.000 0.452 185 K N 0.723 120.956 120.400 -0.278 0.000 2.116 185 K HA 0.103 4.426 4.320 0.005 0.000 0.203 185 K C 2.307 178.800 176.600 -0.178 0.000 1.052 185 K CA 0.927 57.108 56.287 -0.177 0.000 0.952 185 K CB -0.061 32.328 32.500 -0.186 0.000 0.729 185 K HN 0.126 nan 8.250 nan 0.000 0.446 186 A N 1.619 124.119 122.820 -0.534 0.000 1.872 186 A HA -0.072 4.251 4.320 0.005 0.000 0.214 186 A C 2.135 179.691 177.584 -0.046 0.000 1.187 186 A CA 1.002 52.795 52.037 -0.406 0.000 0.614 186 A CB -0.516 18.037 19.000 -0.745 0.000 0.826 186 A HN 0.122 nan 8.150 nan 0.000 0.442 187 I N 0.016 120.543 120.570 -0.072 0.000 2.286 187 I HA -0.274 3.898 4.170 0.005 0.000 0.248 187 I C 2.870 179.091 176.117 0.173 0.000 1.115 187 I CA 1.137 62.471 61.300 0.057 0.000 1.392 187 I CB -0.220 37.774 38.000 -0.011 0.000 1.065 187 I HN 0.343 nan 8.210 nan 0.000 0.418 188 A N -0.307 122.631 122.820 0.197 0.000 1.929 188 A HA -0.169 4.154 4.320 0.005 0.000 0.216 188 A C 2.316 179.971 177.584 0.119 0.000 1.176 188 A CA 1.043 53.203 52.037 0.204 0.000 0.628 188 A CB -0.383 18.722 19.000 0.175 0.000 0.816 188 A HN 0.323 nan 8.150 nan 0.000 0.444 189 Q N -0.158 119.727 119.800 0.140 0.000 2.020 189 Q HA -0.121 4.222 4.340 0.005 0.000 0.202 189 Q C 2.203 178.293 176.000 0.150 0.000 0.982 189 Q CA 1.407 57.305 55.803 0.158 0.000 0.838 189 Q CB -0.521 28.388 28.738 0.284 0.000 0.899 189 Q HN 0.701 nan 8.270 nan 0.000 0.423 190 L N 1.407 122.725 121.223 0.157 0.000 2.043 190 L HA -0.256 4.087 4.340 0.005 0.000 0.212 190 L C 2.428 179.311 176.870 0.022 0.000 1.075 190 L CA 1.459 56.345 54.840 0.076 0.000 0.752 190 L CB -0.514 41.564 42.059 0.032 0.000 0.891 190 L HN 0.346 nan 8.230 nan 0.000 0.432 191 N N -0.326 118.408 118.700 0.057 0.000 2.109 191 N HA -0.164 4.579 4.740 0.005 0.000 0.188 191 N C 1.949 177.458 175.510 -0.001 0.000 1.034 191 N CA 1.962 55.039 53.050 0.044 0.000 0.846 191 N CB -0.004 38.548 38.487 0.108 0.000 1.010 191 N HN 0.371 nan 8.380 nan 0.000 0.425 192 S N -0.500 115.192 115.700 -0.013 0.000 2.414 192 S HA -0.003 4.470 4.470 0.005 0.000 0.227 192 S C 1.963 176.493 174.600 -0.116 0.000 1.022 192 S CA 0.806 58.973 58.200 -0.054 0.000 0.958 192 S CB -0.012 63.157 63.200 -0.051 0.000 0.797 192 S HN 0.339 nan 8.310 nan 0.000 0.493 193 K N -0.392 119.897 120.400 -0.186 0.000 2.308 193 K HA 0.247 4.570 4.320 0.005 0.000 0.197 193 K C 0.558 176.807 176.600 -0.584 0.000 1.049 193 K CA 0.524 56.552 56.287 -0.431 0.000 0.991 193 K CB 0.085 32.218 32.500 -0.611 0.000 0.836 193 K HN 0.440 nan 8.250 nan 0.000 0.500 194 Y N -1.323 118.895 120.300 -0.136 0.000 2.563 194 Y HA 0.318 4.870 4.550 0.004 0.000 0.250 194 Y C 0.946 176.715 175.900 -0.219 0.000 1.126 194 Y CA -0.228 57.738 58.100 -0.224 0.000 1.231 194 Y CB 1.457 39.567 38.460 -0.583 0.000 1.288 194 Y HN 0.149 nan 8.280 nan 0.000 0.537 195 G N 1.148 109.923 108.800 -0.042 0.000 2.168 195 G HA2 -0.350 3.613 3.960 0.005 0.000 0.257 195 G HA3 -0.350 3.613 3.960 0.005 0.000 0.257 195 G C 0.162 175.035 174.900 -0.045 0.000 0.997 195 G CA 0.468 45.551 45.100 -0.028 0.000 0.708 195 G HN 0.171 nan 8.290 nan 0.000 0.520 196 K N 1.057 121.384 120.400 -0.122 0.000 2.248 196 K HA 0.482 4.804 4.320 0.005 0.000 0.281 196 K C 0.206 176.785 176.600 -0.034 0.000 1.054 196 K CA -0.621 55.598 56.287 -0.114 0.000 0.903 196 K CB 0.507 32.836 32.500 -0.286 0.000 1.077 196 K HN 0.128 nan 8.250 nan 0.000 0.474 197 K N 4.378 124.784 120.400 0.011 0.000 2.316 197 K HA 0.328 4.651 4.320 0.005 0.000 0.267 197 K C -0.641 175.994 176.600 0.059 0.000 1.025 197 K CA -0.877 55.447 56.287 0.061 0.000 0.896 197 K CB 0.974 33.522 32.500 0.080 0.000 1.124 197 K HN 0.404 nan 8.250 nan 0.000 0.451 198 V N 0.622 120.579 119.914 0.072 0.000 2.680 198 V HA 0.474 4.597 4.120 0.005 0.000 0.309 198 V C 1.105 177.240 176.094 0.068 0.000 1.052 198 V CA -1.039 61.300 62.300 0.065 0.000 0.908 198 V CB 1.308 33.170 31.823 0.065 0.000 1.001 198 V HN 0.860 nan 8.190 nan 0.000 0.431 199 L N 1.140 122.407 121.223 0.073 0.000 2.848 199 L HA -0.208 4.135 4.340 0.005 0.000 0.400 199 L C 0.205 177.168 176.870 0.154 0.000 2.308 199 L CA 1.843 56.732 54.840 0.081 0.000 2.916 199 L CB -0.960 41.092 42.059 -0.011 0.000 1.824 199 L HN 0.688 nan 8.230 nan 0.000 0.807 200 I N 0.653 121.285 120.570 0.104 0.000 2.497 200 I HA 0.247 4.420 4.170 0.005 0.000 0.284 200 I C -0.196 176.084 176.117 0.272 0.000 1.060 200 I CA -0.270 61.146 61.300 0.193 0.000 1.071 200 I CB 1.620 39.645 38.000 0.041 0.000 1.216 200 I HN 0.111 nan 8.210 nan 0.000 0.442 201 N N 7.184 126.041 118.700 0.260 0.000 2.415 201 N HA 0.294 5.037 4.740 0.005 0.000 0.246 201 N C -1.321 174.418 175.510 0.382 0.000 1.078 201 N CA -0.367 52.852 53.050 0.281 0.000 0.942 201 N CB 0.806 39.415 38.487 0.204 0.000 1.140 201 N HN 0.415 nan 8.380 nan 0.000 0.501 202 L N 5.687 127.136 121.223 0.378 0.000 2.313 202 L HA 0.743 5.086 4.340 0.005 0.000 0.283 202 L C -1.397 175.624 176.870 0.252 0.000 1.013 202 L CA -0.899 54.096 54.840 0.258 0.000 0.816 202 L CB -0.144 42.006 42.059 0.152 0.000 1.236 202 L HN 0.432 nan 8.230 nan 0.000 0.419 203 F N 2.913 122.885 119.950 0.036 0.000 2.643 203 F HA 0.808 5.338 4.527 0.005 0.000 0.314 203 F C -1.236 174.570 175.800 0.009 0.000 1.096 203 F CA -1.293 56.703 58.000 -0.006 0.000 0.953 203 F CB 1.353 40.328 39.000 -0.042 0.000 1.345 203 F HN 0.126 nan 8.300 nan 0.000 0.468 204 V N 2.131 122.107 119.914 0.103 0.000 2.364 204 V HA 0.769 4.892 4.120 0.005 0.000 0.272 204 V C 0.324 176.473 176.094 0.092 0.000 1.036 204 V CA 0.262 62.594 62.300 0.053 0.000 0.880 204 V CB 0.433 32.311 31.823 0.091 0.000 0.991 204 V HN 1.156 nan 8.190 nan 0.000 0.460 205 G N 2.921 111.689 108.800 -0.055 0.000 2.949 205 G HA2 0.532 4.495 3.960 0.005 0.000 0.285 205 G HA3 0.532 4.495 3.960 0.005 0.000 0.285 205 G C -0.527 174.243 174.900 -0.216 0.000 1.395 205 G CA -0.571 44.440 45.100 -0.148 0.000 0.901 205 G HN 0.460 nan 8.290 nan 0.000 0.519 206 T N 1.338 115.749 114.554 -0.239 0.000 2.888 206 T HA 0.205 4.558 4.350 0.005 0.000 0.301 206 T C -0.123 174.656 174.700 0.132 0.000 1.001 206 T CA 0.235 62.249 62.100 -0.144 0.000 1.147 206 T CB 0.952 69.759 68.868 -0.102 0.000 0.931 206 T HN 0.418 nan 8.240 nan 0.000 0.541 207 D N 2.296 122.783 120.400 0.145 0.000 2.371 207 D HA 0.024 4.667 4.640 0.005 0.000 0.256 207 D C 0.734 177.183 176.300 0.249 0.000 1.193 207 D CA -0.450 53.678 54.000 0.213 0.000 0.881 207 D CB 0.793 41.677 40.800 0.141 0.000 1.143 207 D HN 0.378 nan 8.370 nan 0.000 0.473 208 D N 3.170 123.797 120.400 0.379 0.000 2.218 208 D HA -0.142 4.501 4.640 0.005 0.000 0.204 208 D C 1.172 177.534 176.300 0.103 0.000 0.976 208 D CA 1.024 55.237 54.000 0.353 0.000 0.853 208 D CB 0.296 41.362 40.800 0.442 0.000 0.939 208 D HN 0.454 nan 8.370 nan 0.000 0.481 209 K N -0.433 119.934 120.400 -0.055 0.000 2.374 209 K HA 0.072 4.395 4.320 0.005 0.000 0.196 209 K C 0.077 176.672 176.600 -0.008 0.000 1.023 209 K CA -0.071 56.122 56.287 -0.156 0.000 1.103 209 K CB 0.585 32.876 32.500 -0.349 0.000 0.848 209 K HN -0.125 nan 8.250 nan 0.000 0.528 210 N N -0.138 118.597 118.700 0.059 0.000 2.629 210 N HA -0.001 4.742 4.740 0.005 0.000 0.277 210 N C -0.324 175.234 175.510 0.080 0.000 1.188 210 N CA -0.057 53.030 53.050 0.061 0.000 0.835 210 N CB 1.454 39.973 38.487 0.053 0.000 1.420 210 N HN -0.049 nan 8.380 nan 0.000 0.542 211 S N 0.366 116.110 115.700 0.074 0.000 2.603 211 S HA -0.027 4.446 4.470 0.005 0.000 0.220 211 S C 1.549 176.187 174.600 0.063 0.000 0.967 211 S CA 0.566 58.808 58.200 0.069 0.000 0.920 211 S CB -0.339 62.893 63.200 0.054 0.000 0.773 211 S HN 0.333 nan 8.310 nan 0.000 0.529 212 V N -1.798 118.156 119.914 0.066 0.000 3.506 212 V HA 0.357 4.479 4.120 0.005 0.000 0.263 212 V C 0.146 176.308 176.094 0.112 0.000 1.203 212 V CA -0.222 62.120 62.300 0.070 0.000 1.133 212 V CB -0.756 31.091 31.823 0.041 0.000 0.802 212 V HN 0.316 nan 8.190 nan 0.000 0.459 213 N N -0.060 118.723 118.700 0.138 0.000 2.402 213 N HA 0.474 5.217 4.740 0.005 0.000 0.294 213 N C -1.300 174.396 175.510 0.311 0.000 1.203 213 N CA -0.447 52.713 53.050 0.184 0.000 0.838 213 N CB 1.396 39.945 38.487 0.103 0.000 1.306 213 N HN 0.335 nan 8.380 nan 0.000 0.510 214 H N -0.742 118.345 119.070 0.027 0.000 2.479 214 H HA 0.595 5.154 4.556 0.005 0.000 0.335 214 H C -0.290 175.051 175.328 0.021 0.000 1.142 214 H CA -0.560 55.513 56.048 0.041 0.000 1.234 214 H CB 1.128 30.902 29.762 0.020 0.000 1.503 214 H HN 0.158 nan 8.280 nan 0.000 0.510 215 V N 0.597 120.573 119.914 0.104 0.000 3.007 215 V HA 0.431 4.554 4.120 0.005 0.000 0.311 215 V C 0.276 176.332 176.094 -0.063 0.000 1.120 215 V CA -1.183 61.093 62.300 -0.040 0.000 0.980 215 V CB 2.063 33.760 31.823 -0.210 0.000 1.033 215 V HN 0.611 nan 8.190 nan 0.000 0.429 216 I N 2.446 122.926 120.570 -0.149 0.000 2.618 216 I HA 0.262 4.435 4.170 0.005 0.000 0.284 216 I C -0.130 175.742 176.117 -0.407 0.000 1.146 216 I CA 0.422 61.605 61.300 -0.195 0.000 1.425 216 I CB 0.092 37.993 38.000 -0.165 0.000 1.383 216 I HN 0.700 nan 8.210 nan 0.000 0.562 217 H N 5.848 124.515 119.070 -0.673 0.000 2.573 217 H HA 0.583 5.142 4.556 0.005 0.000 0.351 217 H C -0.584 174.422 175.328 -0.537 0.000 1.163 217 H CA -0.637 54.915 56.048 -0.827 0.000 1.205 217 H CB 1.732 30.588 29.762 -1.509 0.000 1.605 217 H HN 0.272 nan 8.280 nan 0.000 0.525 218 I N 2.080 122.507 120.570 -0.240 0.000 2.466 218 I HA 0.258 4.431 4.170 0.005 0.000 0.289 218 I C -0.406 175.759 176.117 0.081 0.000 1.026 218 I CA -0.416 60.879 61.300 -0.009 0.000 1.078 218 I CB 1.437 39.422 38.000 -0.026 0.000 1.249 218 I HN 0.619 nan 8.210 nan 0.000 0.429 219 D N 3.871 124.415 120.400 0.240 0.000 2.559 219 D HA 0.318 4.961 4.640 0.005 0.000 0.250 219 D C -0.657 175.719 176.300 0.127 0.000 1.135 219 D CA -0.345 53.811 54.000 0.260 0.000 0.955 219 D CB 2.078 43.142 40.800 0.440 0.000 1.442 219 D HN 0.504 nan 8.370 nan 0.000 0.471 220 Q N 0.677 120.440 119.800 -0.062 0.000 2.421 220 Q HA 0.397 4.740 4.340 0.005 0.000 0.255 220 Q C -2.238 173.603 176.000 -0.264 0.000 1.013 220 Q CA -1.240 54.268 55.803 -0.491 0.000 0.895 220 Q CB 0.605 28.852 28.738 -0.817 0.000 1.271 220 Q HN 0.134 nan 8.270 nan 0.000 0.460 221 P HA 0.174 nan 4.420 nan 0.000 0.279 221 P C -0.755 176.480 177.300 -0.109 0.000 1.252 221 P CA -0.417 62.623 63.100 -0.101 0.000 0.811 221 P CB 0.979 32.661 31.700 -0.029 0.000 1.035 222 R N 0.644 121.113 120.500 -0.051 0.000 2.738 222 R HA 0.356 4.699 4.340 0.005 0.000 0.268 222 R C 0.320 176.618 176.300 -0.003 0.000 1.062 222 R CA -0.330 55.752 56.100 -0.031 0.000 1.158 222 R CB -0.027 30.266 30.300 -0.013 0.000 1.046 222 R HN 0.459 nan 8.270 nan 0.000 0.493 223 L N -0.821 120.417 121.223 0.025 0.000 2.335 223 L HA 0.381 4.724 4.340 0.005 0.000 0.268 223 L C 1.631 178.579 176.870 0.130 0.000 1.016 223 L CA -0.455 54.437 54.840 0.087 0.000 0.805 223 L CB 1.287 43.419 42.059 0.122 0.000 1.311 223 L HN 0.779 nan 8.230 nan 0.000 0.456 224 G N 0.315 109.248 108.800 0.223 0.000 2.494 224 G HA2 0.146 4.109 3.960 0.005 0.000 0.216 224 G HA3 0.146 4.109 3.960 0.005 0.000 0.216 224 G C 0.532 175.408 174.900 -0.040 0.000 1.140 224 G CA 0.057 45.261 45.100 0.172 0.000 0.801 224 G HN 0.222 nan 8.290 nan 0.000 0.536 225 L N -0.104 121.033 121.223 -0.143 0.000 2.416 225 L HA 0.305 4.648 4.340 0.005 0.000 0.262 225 L C -1.418 175.271 176.870 -0.301 0.000 1.093 225 L CA -2.028 52.582 54.840 -0.384 0.000 0.801 225 L CB 1.533 43.169 42.059 -0.704 0.000 1.191 225 L HN -0.146 nan 8.230 nan 0.000 0.459 226 P HA -0.078 nan 4.420 nan 0.000 0.218 226 P C -0.103 177.092 177.300 -0.174 0.000 1.149 226 P CA 0.809 63.679 63.100 -0.385 0.000 0.817 226 P CB 0.260 31.614 31.700 -0.576 0.000 0.785 227 S N -2.394 113.227 115.700 -0.133 0.000 2.570 227 S HA 0.337 4.810 4.470 0.005 0.000 0.270 227 S C 1.000 175.706 174.600 0.176 0.000 1.149 227 S CA -0.954 57.283 58.200 0.062 0.000 0.837 227 S CB 1.557 64.824 63.200 0.112 0.000 1.124 227 S HN 0.061 nan 8.310 nan 0.000 0.465 228 R N 0.927 121.517 120.500 0.150 0.000 2.159 228 R HA -0.152 4.191 4.340 0.005 0.000 0.237 228 R C 0.503 176.909 176.300 0.177 0.000 1.131 228 R CA 2.251 58.462 56.100 0.185 0.000 0.982 228 R CB -1.256 29.083 30.300 0.065 0.000 0.868 228 R HN 0.716 nan 8.270 nan 0.000 0.453 229 D N 0.508 120.937 120.400 0.049 0.000 2.149 229 D HA -0.178 4.465 4.640 0.005 0.000 0.198 229 D C 1.365 177.342 176.300 -0.538 0.000 0.990 229 D CA 1.272 55.171 54.000 -0.169 0.000 0.839 229 D CB -0.297 40.407 40.800 -0.162 0.000 0.948 229 D HN 0.232 nan 8.370 nan 0.000 0.460 230 Y N -0.446 119.465 120.300 -0.650 0.000 2.315 230 Y HA -0.200 4.353 4.550 0.005 0.000 0.288 230 Y C 1.371 176.946 175.900 -0.540 0.000 1.154 230 Y CA 0.944 58.538 58.100 -0.843 0.000 1.229 230 Y CB -0.464 37.673 38.460 -0.538 0.000 0.980 230 Y HN 0.170 nan 8.280 nan 0.000 0.540 231 Y N -0.425 119.822 120.300 -0.087 0.000 2.529 231 Y HA -0.055 4.498 4.550 0.005 0.000 0.290 231 Y C 1.851 177.752 175.900 0.002 0.000 1.177 231 Y CA 0.314 58.421 58.100 0.013 0.000 1.305 231 Y CB -0.338 38.146 38.460 0.040 0.000 1.047 231 Y HN 0.210 nan 8.280 nan 0.000 0.522 232 E N -1.223 118.995 120.200 0.030 0.000 2.110 232 E HA -0.206 4.147 4.350 0.005 0.000 0.193 232 E C 1.048 177.698 176.600 0.083 0.000 0.988 232 E CA 1.278 57.709 56.400 0.052 0.000 0.804 232 E CB -0.197 29.526 29.700 0.038 0.000 0.745 232 E HN 0.400 nan 8.360 nan 0.000 0.458 233 c N 1.056 119.699 118.600 0.071 0.000 4.417 233 c HA -0.134 4.439 4.570 0.005 0.000 0.284 233 c C 0.707 174.866 174.090 0.115 0.000 1.379 233 c CA 0.777 57.169 56.329 0.105 0.000 1.918 233 c CB -2.906 39.668 42.510 0.107 0.000 1.280 233 c HN 0.584 nan 8.230 nan 0.000 0.783 234 T N -2.338 112.300 114.554 0.140 0.000 2.932 234 T HA 0.692 5.044 4.350 0.005 0.000 0.289 234 T C 0.945 175.676 174.700 0.052 0.000 1.039 234 T CA 0.555 62.709 62.100 0.090 0.000 1.024 234 T CB 2.046 70.959 68.868 0.076 0.000 1.090 234 T HN 2.178 nan 8.240 nan 0.000 0.496 235 G N 2.232 111.025 108.800 -0.011 0.000 2.596 235 G HA2 -0.342 3.621 3.960 0.005 0.000 0.304 235 G HA3 -0.342 3.621 3.960 0.005 0.000 0.304 235 G C 1.043 175.843 174.900 -0.167 0.000 1.189 235 G CA 0.620 45.669 45.100 -0.084 0.000 0.986 235 G HN 1.746 nan 8.290 nan 0.000 0.548 236 I N -1.708 118.656 120.570 -0.343 0.000 3.010 236 I HA 0.115 4.288 4.170 0.005 0.000 0.271 236 I C 1.945 177.738 176.117 -0.541 0.000 1.293 236 I CA 1.781 62.797 61.300 -0.474 0.000 1.452 236 I CB -0.358 37.254 38.000 -0.648 0.000 1.082 236 I HN 0.385 nan 8.210 nan 0.000 0.484 237 Y N 0.862 121.040 120.300 -0.203 0.000 2.444 237 Y HA 0.243 4.796 4.550 0.005 0.000 0.249 237 Y C 2.328 178.169 175.900 -0.098 0.000 1.134 237 Y CA -0.307 57.637 58.100 -0.260 0.000 1.261 237 Y CB -0.229 38.047 38.460 -0.307 0.000 1.143 237 Y HN 0.070 nan 8.280 nan 0.000 0.523 238 K N 1.041 121.474 120.400 0.055 0.000 2.057 238 K HA -0.226 4.096 4.320 0.005 0.000 0.206 238 K C 1.901 178.551 176.600 0.083 0.000 1.050 238 K CA 1.839 58.168 56.287 0.070 0.000 0.935 238 K CB 0.168 32.690 32.500 0.037 0.000 0.715 238 K HN 0.244 nan 8.250 nan 0.000 0.439 239 E N 0.599 120.835 120.200 0.060 0.000 2.106 239 E HA -0.088 4.264 4.350 0.005 0.000 0.192 239 E C 1.580 178.257 176.600 0.130 0.000 0.984 239 E CA 1.405 57.851 56.400 0.077 0.000 0.806 239 E CB -0.175 29.552 29.700 0.044 0.000 0.750 239 E HN 0.329 nan 8.360 nan 0.000 0.458 240 A N -0.011 122.896 122.820 0.145 0.000 1.933 240 A HA -0.183 4.140 4.320 0.005 0.000 0.218 240 A C 2.551 180.303 177.584 0.281 0.000 1.175 240 A CA 1.459 53.621 52.037 0.209 0.000 0.628 240 A CB -1.051 18.128 19.000 0.299 0.000 0.814 240 A HN 0.507 nan 8.150 nan 0.000 0.444 241 c N -1.378 117.357 118.600 0.225 0.000 2.446 241 c HA -0.046 4.527 4.570 0.005 0.000 0.277 241 c C 3.088 177.336 174.090 0.262 0.000 1.275 241 c CA 1.573 58.044 56.329 0.237 0.000 1.727 241 c CB -1.302 41.302 42.510 0.157 0.000 2.010 241 c HN 0.651 nan 8.230 nan 0.000 0.486 242 T N 0.958 115.630 114.554 0.196 0.000 2.737 242 T HA -0.088 4.265 4.350 0.005 0.000 0.265 242 T C 2.118 176.938 174.700 0.199 0.000 1.038 242 T CA 1.575 63.770 62.100 0.159 0.000 1.144 242 T CB -0.448 68.487 68.868 0.111 0.000 0.866 242 T HN 0.602 nan 8.240 nan 0.000 0.434 243 A N 0.395 123.365 122.820 0.250 0.000 1.940 243 A HA -0.131 4.191 4.320 0.005 0.000 0.219 243 A C 2.044 179.904 177.584 0.459 0.000 1.176 243 A CA 1.530 53.755 52.037 0.313 0.000 0.631 243 A CB -1.117 18.077 19.000 0.322 0.000 0.814 243 A HN 0.690 nan 8.150 nan 0.000 0.446 244 Y N 0.470 121.002 120.300 0.388 0.000 2.128 244 Y HA -0.243 4.310 4.550 0.005 0.000 0.284 244 Y C 2.293 178.267 175.900 0.123 0.000 1.154 244 Y CA 1.836 60.124 58.100 0.313 0.000 1.149 244 Y CB 0.034 38.709 38.460 0.358 0.000 0.976 244 Y HN 0.145 nan 8.280 nan 0.000 0.505 245 V N -0.150 119.780 119.914 0.028 0.000 2.488 245 V HA -0.220 3.903 4.120 0.005 0.000 0.246 245 V C 1.610 177.623 176.094 -0.136 0.000 1.046 245 V CA 1.767 63.952 62.300 -0.193 0.000 1.053 245 V CB -0.605 31.169 31.823 -0.081 0.000 0.679 245 V HN 0.363 nan 8.190 nan 0.000 0.458 246 D N -0.095 120.314 120.400 0.015 0.000 2.178 246 D HA -0.162 4.481 4.640 0.005 0.000 0.201 246 D C 1.847 178.216 176.300 0.113 0.000 0.980 246 D CA 1.254 55.283 54.000 0.049 0.000 0.842 246 D CB -0.245 40.612 40.800 0.095 0.000 0.948 246 D HN 0.497 nan 8.370 nan 0.000 0.472 247 F N 0.801 120.718 119.950 -0.056 0.000 2.084 247 F HA -0.211 4.319 4.527 0.005 0.000 0.296 247 F C 2.331 178.014 175.800 -0.196 0.000 1.111 247 F CA 0.705 58.690 58.000 -0.025 0.000 1.224 247 F CB 0.007 39.019 39.000 0.020 0.000 0.991 247 F HN -0.155 nan 8.300 nan 0.000 0.471 248 M N 0.665 119.825 119.600 -0.734 0.000 2.113 248 M HA -0.347 4.136 4.480 0.005 0.000 0.255 248 M C 2.105 178.140 176.300 -0.441 0.000 1.073 248 M CA 2.012 56.586 55.300 -1.211 0.000 1.091 248 M CB -0.989 30.888 32.600 -1.205 0.000 1.309 248 M HN 0.256 nan 8.290 nan 0.000 0.407 249 I N -0.560 119.847 120.570 -0.272 0.000 2.252 249 I HA -0.201 3.972 4.170 0.005 0.000 0.245 249 I C 2.498 178.577 176.117 -0.062 0.000 1.102 249 I CA 1.121 62.323 61.300 -0.164 0.000 1.385 249 I CB -0.516 37.411 38.000 -0.122 0.000 1.064 249 I HN 0.284 nan 8.210 nan 0.000 0.414 250 S N 0.579 116.291 115.700 0.020 0.000 2.382 250 S HA -0.108 4.364 4.470 0.005 0.000 0.228 250 S C 2.064 176.726 174.600 0.104 0.000 1.027 250 S CA 1.082 59.331 58.200 0.081 0.000 0.991 250 S CB -0.106 63.200 63.200 0.177 0.000 0.823 250 S HN 0.231 nan 8.310 nan 0.000 0.469 251 V N 1.616 121.627 119.914 0.161 0.000 2.407 251 V HA -0.032 4.091 4.120 0.005 0.000 0.245 251 V C 2.577 178.881 176.094 0.350 0.000 1.041 251 V CA 1.386 63.855 62.300 0.282 0.000 1.040 251 V CB -1.139 30.885 31.823 0.336 0.000 0.671 251 V HN 0.503 nan 8.190 nan 0.000 0.455 252 A N 0.039 123.013 122.820 0.257 0.000 2.019 252 A HA -0.238 4.085 4.320 0.005 0.000 0.219 252 A C 2.406 179.977 177.584 -0.021 0.000 1.164 252 A CA 1.982 54.003 52.037 -0.026 0.000 0.644 252 A CB -0.528 18.169 19.000 -0.505 0.000 0.805 252 A HN 0.475 nan 8.150 nan 0.000 0.449 253 R N -0.519 119.976 120.500 -0.009 0.000 2.062 253 R HA 0.006 4.349 4.340 0.005 0.000 0.229 253 R C 1.991 178.289 176.300 -0.003 0.000 1.128 253 R CA 1.338 57.423 56.100 -0.025 0.000 0.960 253 R CB -0.358 29.923 30.300 -0.032 0.000 0.855 253 R HN 0.510 nan 8.270 nan 0.000 0.432 254 L N 0.642 121.860 121.223 -0.008 0.000 2.046 254 L HA -0.199 4.144 4.340 0.005 0.000 0.208 254 L C 2.453 179.366 176.870 0.071 0.000 1.077 254 L CA 1.258 56.057 54.840 -0.069 0.000 0.747 254 L CB -0.385 41.458 42.059 -0.361 0.000 0.896 254 L HN 0.260 nan 8.230 nan 0.000 0.432 255 I N -0.629 120.062 120.570 0.201 0.000 2.163 255 I HA -0.320 3.853 4.170 0.005 0.000 0.243 255 I C 2.813 179.008 176.117 0.131 0.000 1.085 255 I CA 1.385 62.831 61.300 0.243 0.000 1.347 255 I CB -0.503 37.683 38.000 0.311 0.000 1.044 255 I HN 0.273 nan 8.210 nan 0.000 0.408 256 R N 0.549 121.092 120.500 0.072 0.000 2.091 256 R HA -0.206 4.137 4.340 0.005 0.000 0.238 256 R C 2.306 178.625 176.300 0.031 0.000 1.136 256 R CA 1.544 57.662 56.100 0.030 0.000 0.959 256 R CB -0.412 29.878 30.300 -0.016 0.000 0.856 256 R HN 0.537 nan 8.270 nan 0.000 0.437 257 Q N 0.097 119.912 119.800 0.025 0.000 2.079 257 Q HA -0.183 4.160 4.340 0.005 0.000 0.200 257 Q C 1.986 178.005 176.000 0.032 0.000 0.974 257 Q CA 1.345 57.158 55.803 0.016 0.000 0.840 257 Q CB 0.002 28.739 28.738 -0.002 0.000 0.898 257 Q HN 0.393 nan 8.270 nan 0.000 0.430 258 E N 0.471 120.706 120.200 0.057 0.000 2.150 258 E HA -0.160 4.193 4.350 0.005 0.000 0.193 258 E C 1.242 177.879 176.600 0.060 0.000 0.985 258 E CA 0.639 57.081 56.400 0.071 0.000 0.814 258 E CB 0.316 30.091 29.700 0.124 0.000 0.752 258 E HN 0.200 nan 8.360 nan 0.000 0.466 259 E N 0.514 120.752 120.200 0.064 0.000 2.502 259 E HA -0.025 4.327 4.350 0.005 0.000 0.194 259 E C -0.151 176.473 176.600 0.040 0.000 1.062 259 E CA 0.071 56.505 56.400 0.055 0.000 0.867 259 E CB 0.065 29.805 29.700 0.067 0.000 0.888 259 E HN 0.144 nan 8.360 nan 0.000 0.510 260 R N 0.168 120.688 120.500 0.032 0.000 3.188 260 R HA -0.179 4.164 4.340 0.005 0.000 0.247 260 R C -0.521 175.791 176.300 0.019 0.000 0.918 260 R CA 0.306 56.420 56.100 0.022 0.000 0.629 260 R CB -1.961 28.351 30.300 0.020 0.000 1.087 260 R HN 0.123 nan 8.270 nan 0.000 0.462 261 L N 0.676 121.910 121.223 0.018 0.000 2.332 261 L HA 0.661 5.004 4.340 0.005 0.000 0.269 261 L C -1.514 175.355 176.870 -0.001 0.000 1.016 261 L CA -2.425 52.421 54.840 0.011 0.000 0.809 261 L CB 0.922 42.989 42.059 0.014 0.000 1.280 261 L HN -0.022 nan 8.230 nan 0.000 0.447 262 P HA 0.231 nan 4.420 nan 0.000 0.275 262 P C -0.957 176.329 177.300 -0.024 0.000 1.227 262 P CA -0.031 63.062 63.100 -0.013 0.000 0.781 262 P CB 1.167 32.860 31.700 -0.012 0.000 0.906 263 I N 3.023 123.578 120.570 -0.026 0.000 2.355 263 I HA 0.176 4.349 4.170 0.005 0.000 0.288 263 I C 0.068 176.162 176.117 -0.039 0.000 0.999 263 I CA -0.077 61.201 61.300 -0.038 0.000 1.163 263 I CB 1.092 39.072 38.000 -0.034 0.000 1.316 263 I HN 0.223 nan 8.210 nan 0.000 0.454 264 D N 6.654 127.024 120.400 -0.050 0.000 2.460 264 D HA 0.153 4.796 4.640 0.005 0.000 0.232 264 D C 0.907 177.172 176.300 -0.058 0.000 1.079 264 D CA -0.245 53.726 54.000 -0.048 0.000 0.864 264 D CB 1.082 41.853 40.800 -0.047 0.000 1.048 264 D HN 0.373 nan 8.370 nan 0.000 0.523 265 E N 2.509 122.679 120.200 -0.050 0.000 2.160 265 E HA -0.191 4.162 4.350 0.005 0.000 0.195 265 E C 1.252 177.817 176.600 -0.060 0.000 0.991 265 E CA 0.590 56.957 56.400 -0.055 0.000 0.810 265 E CB 0.098 29.773 29.700 -0.041 0.000 0.742 265 E HN 0.630 nan 8.360 nan 0.000 0.466 266 N N 0.463 119.132 118.700 -0.052 0.000 2.188 266 N HA -0.176 4.567 4.740 0.005 0.000 0.184 266 N C 1.873 177.344 175.510 -0.064 0.000 1.018 266 N CA 0.921 53.940 53.050 -0.051 0.000 0.858 266 N CB 0.141 38.604 38.487 -0.040 0.000 0.989 266 N HN 0.083 nan 8.380 nan 0.000 0.426 267 Q N 0.875 120.631 119.800 -0.073 0.000 2.269 267 Q HA 0.102 4.445 4.340 0.005 0.000 0.201 267 Q C 1.992 177.918 176.000 -0.123 0.000 0.946 267 Q CA 0.545 56.295 55.803 -0.089 0.000 0.877 267 Q CB 0.066 28.754 28.738 -0.083 0.000 0.963 267 Q HN 0.338 nan 8.270 nan 0.000 0.472 268 L N -0.208 120.936 121.223 -0.131 0.000 1.961 268 L HA -0.140 4.203 4.340 0.005 0.000 0.210 268 L C 2.384 179.159 176.870 -0.158 0.000 1.072 268 L CA 1.226 55.963 54.840 -0.171 0.000 0.749 268 L CB -1.003 40.962 42.059 -0.156 0.000 0.889 268 L HN 0.360 nan 8.230 nan 0.000 0.432 269 A N -0.080 122.670 122.820 -0.117 0.000 2.009 269 A HA -0.279 4.043 4.320 0.005 0.000 0.222 269 A C 2.189 179.716 177.584 -0.096 0.000 1.175 269 A CA 2.308 54.286 52.037 -0.097 0.000 0.651 269 A CB -0.729 18.232 19.000 -0.066 0.000 0.815 269 A HN 0.431 nan 8.150 nan 0.000 0.459 270 L N -1.070 120.095 121.223 -0.096 0.000 2.127 270 L HA 0.063 4.406 4.340 0.005 0.000 0.203 270 L C 2.092 178.905 176.870 -0.095 0.000 1.080 270 L CA 2.126 56.918 54.840 -0.080 0.000 0.768 270 L CB -0.363 41.654 42.059 -0.070 0.000 0.924 270 L HN 0.435 nan 8.230 nan 0.000 0.444 271 E N -0.965 119.154 120.200 -0.135 0.000 2.107 271 E HA -0.144 4.208 4.350 0.005 0.000 0.191 271 E C 2.013 178.513 176.600 -0.167 0.000 0.982 271 E CA 1.049 57.353 56.400 -0.159 0.000 0.809 271 E CB 0.008 29.574 29.700 -0.224 0.000 0.756 271 E HN 0.376 nan 8.360 nan 0.000 0.459 272 M N 0.567 120.048 119.600 -0.198 0.000 2.288 272 M HA -0.057 4.426 4.480 0.005 0.000 0.266 272 M C 1.631 177.827 176.300 -0.174 0.000 1.072 272 M CA 0.943 56.099 55.300 -0.240 0.000 1.132 272 M CB -0.734 31.686 32.600 -0.301 0.000 1.386 272 M HN 0.064 nan 8.290 nan 0.000 0.432 273 N N 0.389 119.022 118.700 -0.112 0.000 2.188 273 N HA -0.164 4.579 4.740 0.005 0.000 0.184 273 N C 1.653 177.155 175.510 -0.013 0.000 1.018 273 N CA 0.987 54.007 53.050 -0.050 0.000 0.858 273 N CB -0.067 38.403 38.487 -0.029 0.000 0.989 273 N HN 0.170 nan 8.380 nan 0.000 0.426 274 K N 1.720 122.107 120.400 -0.021 0.000 2.032 274 K HA -0.102 4.221 4.320 0.005 0.000 0.209 274 K C 1.968 178.581 176.600 0.023 0.000 1.048 274 K CA 1.011 57.318 56.287 0.032 0.000 0.927 274 K CB -0.914 31.596 32.500 0.016 0.000 0.712 274 K HN 0.070 nan 8.250 nan 0.000 0.441 275 V N 0.121 120.009 119.914 -0.044 0.000 2.332 275 V HA -0.234 3.889 4.120 0.005 0.000 0.248 275 V C 2.127 178.220 176.094 -0.002 0.000 1.055 275 V CA 2.312 64.582 62.300 -0.051 0.000 1.038 275 V CB -0.433 31.342 31.823 -0.080 0.000 0.651 275 V HN 0.501 nan 8.190 nan 0.000 0.450 276 M N 0.365 119.973 119.600 0.014 0.000 2.108 276 M HA -0.116 4.366 4.480 0.005 0.000 0.261 276 M C 1.997 178.385 176.300 0.148 0.000 1.066 276 M CA 2.077 57.456 55.300 0.131 0.000 1.107 276 M CB -0.928 31.743 32.600 0.119 0.000 1.356 276 M HN 0.422 nan 8.290 nan 0.000 0.406 277 E N -0.046 120.219 120.200 0.108 0.000 2.106 277 E HA -0.150 4.203 4.350 0.005 0.000 0.192 277 E C 2.205 178.864 176.600 0.098 0.000 0.984 277 E CA 0.921 57.401 56.400 0.133 0.000 0.806 277 E CB -0.700 29.097 29.700 0.162 0.000 0.750 277 E HN 0.555 nan 8.360 nan 0.000 0.458 278 L N 0.831 122.031 121.223 -0.039 0.000 1.990 278 L HA -0.243 4.100 4.340 0.005 0.000 0.213 278 L C 2.375 179.143 176.870 -0.169 0.000 1.072 278 L CA 1.868 56.490 54.840 -0.364 0.000 0.755 278 L CB -0.237 41.489 42.059 -0.556 0.000 0.889 278 L HN 0.192 nan 8.230 nan 0.000 0.432 279 E N -0.490 119.673 120.200 -0.062 0.000 2.112 279 E HA -0.195 4.158 4.350 0.005 0.000 0.190 279 E C 2.125 178.585 176.600 -0.234 0.000 0.979 279 E CA 0.466 56.815 56.400 -0.085 0.000 0.814 279 E CB 0.179 29.923 29.700 0.072 0.000 0.762 279 E HN 0.390 nan 8.360 nan 0.000 0.460 280 K N 0.648 120.997 120.400 -0.084 0.000 2.052 280 K HA -0.250 4.073 4.320 0.005 0.000 0.215 280 K C 2.072 178.634 176.600 -0.062 0.000 1.053 280 K CA 1.990 58.251 56.287 -0.043 0.000 0.934 280 K CB -0.164 32.416 32.500 0.135 0.000 0.717 280 K HN 0.247 nan 8.250 nan 0.000 0.450 281 E N 0.426 120.620 120.200 -0.010 0.000 2.051 281 E HA -0.192 4.161 4.350 0.005 0.000 0.192 281 E C 2.181 178.779 176.600 -0.003 0.000 0.991 281 E CA 1.205 57.616 56.400 0.017 0.000 0.799 281 E CB -0.259 29.482 29.700 0.068 0.000 0.748 281 E HN 0.229 nan 8.360 nan 0.000 0.449 282 I N 1.681 122.231 120.570 -0.033 0.000 2.151 282 I HA -0.321 3.852 4.170 0.005 0.000 0.243 282 I C 2.543 178.669 176.117 0.015 0.000 1.080 282 I CA 1.519 62.842 61.300 0.039 0.000 1.339 282 I CB -0.487 37.519 38.000 0.010 0.000 1.039 282 I HN 0.050 nan 8.210 nan 0.000 0.409 283 A N 0.266 122.982 122.820 -0.174 0.000 1.865 283 A HA -0.311 4.012 4.320 0.005 0.000 0.217 283 A C 2.269 179.816 177.584 -0.061 0.000 1.191 283 A CA 2.344 54.243 52.037 -0.231 0.000 0.623 283 A CB -1.135 17.512 19.000 -0.588 0.000 0.826 283 A HN 0.586 nan 8.150 nan 0.000 0.444 284 N N 0.072 118.756 118.700 -0.026 0.000 2.289 284 N HA -0.098 4.645 4.740 0.005 0.000 0.184 284 N C 1.752 177.296 175.510 0.056 0.000 1.016 284 N CA 1.105 54.170 53.050 0.025 0.000 0.872 284 N CB -0.155 38.352 38.487 0.034 0.000 0.973 284 N HN 0.414 nan 8.380 nan 0.000 0.433 285 A N 0.483 123.356 122.820 0.089 0.000 2.016 285 A HA -0.010 4.312 4.320 0.005 0.000 0.217 285 A C 1.245 178.984 177.584 0.258 0.000 1.162 285 A CA 0.923 53.053 52.037 0.154 0.000 0.662 285 A CB -0.755 18.329 19.000 0.140 0.000 0.812 285 A HN 0.521 nan 8.150 nan 0.000 0.450 286 T N -1.621 113.040 114.554 0.179 0.000 2.856 286 T HA 0.521 4.874 4.350 0.005 0.000 0.306 286 T C 0.199 174.928 174.700 0.047 0.000 1.062 286 T CA -0.250 61.882 62.100 0.053 0.000 1.083 286 T CB 1.013 69.821 68.868 -0.100 0.000 0.984 286 T HN 0.744 nan 8.240 nan 0.000 0.542 287 A N 2.232 125.063 122.820 0.019 0.000 2.331 287 A HA 0.453 4.775 4.320 0.005 0.000 0.283 287 A C 0.538 178.123 177.584 0.001 0.000 1.142 287 A CA -0.910 51.140 52.037 0.022 0.000 0.812 287 A CB 0.095 19.110 19.000 0.026 0.000 1.074 287 A HN 0.884 nan 8.150 nan 0.000 0.497 288 K N 2.580 122.985 120.400 0.009 0.000 2.440 288 K HA 0.078 4.401 4.320 0.005 0.000 0.270 288 K C -1.701 174.895 176.600 -0.007 0.000 0.980 288 K CA -1.036 55.253 56.287 0.005 0.000 0.953 288 K CB 0.207 32.713 32.500 0.010 0.000 0.925 288 K HN 0.373 nan 8.250 nan 0.000 0.497 289 P HA -0.198 nan 4.420 nan 0.000 0.216 289 P C 0.364 177.652 177.300 -0.020 0.000 1.150 289 P CA 1.476 64.564 63.100 -0.019 0.000 0.843 289 P CB 0.218 31.911 31.700 -0.012 0.000 0.787 290 E N -0.818 119.375 120.200 -0.013 0.000 2.208 290 E HA -0.116 4.237 4.350 0.005 0.000 0.193 290 E C 1.075 177.665 176.600 -0.016 0.000 0.988 290 E CA 0.891 57.282 56.400 -0.016 0.000 0.828 290 E CB -0.560 29.133 29.700 -0.011 0.000 0.763 290 E HN 0.334 nan 8.360 nan 0.000 0.478 291 D N -0.180 120.214 120.400 -0.010 0.000 2.328 291 D HA 0.043 4.686 4.640 0.005 0.000 0.226 291 D C 0.822 177.115 176.300 -0.012 0.000 1.066 291 D CA 0.302 54.299 54.000 -0.006 0.000 0.861 291 D CB 0.291 41.095 40.800 0.007 0.000 0.912 291 D HN 0.061 nan 8.370 nan 0.000 0.521 292 R N 0.389 120.874 120.500 -0.025 0.000 2.535 292 R HA 0.061 4.403 4.340 0.005 0.000 0.323 292 R C 0.895 177.164 176.300 -0.052 0.000 0.979 292 R CA -0.035 56.038 56.100 -0.045 0.000 1.120 292 R CB 0.395 30.660 30.300 -0.059 0.000 1.306 292 R HN 0.006 nan 8.270 nan 0.000 0.540 293 N N -0.315 118.364 118.700 -0.036 0.000 2.336 293 N HA -0.062 4.681 4.740 0.005 0.000 0.189 293 N C -0.357 175.138 175.510 -0.025 0.000 1.113 293 N CA 0.212 53.244 53.050 -0.030 0.000 0.858 293 N CB 0.343 38.814 38.487 -0.026 0.000 0.970 293 N HN -0.058 nan 8.380 nan 0.000 0.471 294 D N 1.430 121.813 120.400 -0.029 0.000 2.441 294 D HA 0.247 4.890 4.640 0.005 0.000 0.231 294 D C -1.780 174.508 176.300 -0.020 0.000 1.073 294 D CA -2.199 51.781 54.000 -0.034 0.000 0.850 294 D CB 2.028 42.804 40.800 -0.040 0.000 1.062 294 D HN -0.038 nan 8.370 nan 0.000 0.524 295 P HA -0.091 nan 4.420 nan 0.000 0.223 295 P C 1.563 178.874 177.300 0.020 0.000 1.151 295 P CA 0.457 63.570 63.100 0.021 0.000 0.787 295 P CB 0.345 32.074 31.700 0.049 0.000 0.788 296 M N -0.845 118.730 119.600 -0.042 0.000 2.254 296 M HA -0.001 4.482 4.480 0.005 0.000 0.265 296 M C 2.193 178.524 176.300 0.053 0.000 1.066 296 M CA 1.176 56.461 55.300 -0.026 0.000 1.123 296 M CB -1.062 31.492 32.600 -0.077 0.000 1.388 296 M HN -0.005 nan 8.290 nan 0.000 0.425 297 L N -1.034 120.212 121.223 0.037 0.000 2.131 297 L HA -0.133 4.210 4.340 0.005 0.000 0.206 297 L C 2.358 179.284 176.870 0.094 0.000 1.087 297 L CA 0.619 55.491 54.840 0.054 0.000 0.767 297 L CB -0.622 41.451 42.059 0.023 0.000 0.917 297 L HN 0.261 nan 8.230 nan 0.000 0.441 298 L N -0.696 120.586 121.223 0.099 0.000 2.141 298 L HA -0.164 4.179 4.340 0.005 0.000 0.209 298 L C 0.835 177.887 176.870 0.304 0.000 1.094 298 L CA 0.892 55.808 54.840 0.127 0.000 0.763 298 L CB -0.191 41.848 42.059 -0.033 0.000 0.908 298 L HN 0.204 nan 8.230 nan 0.000 0.437 299 Y N 2.526 122.932 120.300 0.176 0.000 2.624 299 Y HA 0.097 4.650 4.550 0.005 0.000 0.354 299 Y C -0.045 175.905 175.900 0.084 0.000 1.051 299 Y CA -0.242 57.968 58.100 0.183 0.000 1.377 299 Y CB -0.189 38.338 38.460 0.113 0.000 1.168 299 Y HN 0.101 nan 8.280 nan 0.000 0.525 300 N N 7.024 125.620 118.700 -0.174 0.000 2.626 300 N HA 0.113 4.856 4.740 0.005 0.000 0.249 300 N C -1.082 174.243 175.510 -0.308 0.000 1.021 300 N CA -0.617 52.346 53.050 -0.145 0.000 0.886 300 N CB 1.412 39.882 38.487 -0.028 0.000 1.149 300 N HN 0.561 nan 8.380 nan 0.000 0.517 301 K N 2.488 122.695 120.400 -0.322 0.000 2.276 301 K HA 0.402 4.725 4.320 0.005 0.000 0.283 301 K C -0.734 175.775 176.600 -0.152 0.000 1.044 301 K CA 0.070 56.176 56.287 -0.302 0.000 0.944 301 K CB 0.907 33.291 32.500 -0.194 0.000 1.012 301 K HN 0.435 nan 8.250 nan 0.000 0.472 302 M N 2.522 122.025 119.600 -0.163 0.000 2.421 302 M HA 0.135 4.618 4.480 0.005 0.000 0.287 302 M C -0.780 175.455 176.300 -0.109 0.000 1.183 302 M CA -0.649 54.585 55.300 -0.110 0.000 0.916 302 M CB 2.373 34.915 32.600 -0.097 0.000 1.701 302 M HN 0.768 nan 8.290 nan 0.000 0.470 303 T N 0.714 115.222 114.554 -0.077 0.000 2.907 303 T HA 0.299 4.652 4.350 0.005 0.000 0.298 303 T C 1.222 175.883 174.700 -0.065 0.000 1.017 303 T CA -0.656 61.406 62.100 -0.065 0.000 1.118 303 T CB 0.616 69.459 68.868 -0.042 0.000 0.948 303 T HN 0.738 nan 8.240 nan 0.000 0.531 304 L N 2.217 123.408 121.223 -0.053 0.000 2.211 304 L HA -0.221 4.122 4.340 0.005 0.000 0.216 304 L C 2.925 179.793 176.870 -0.003 0.000 1.092 304 L CA 1.859 56.684 54.840 -0.025 0.000 0.767 304 L CB -0.866 41.206 42.059 0.023 0.000 0.894 304 L HN 0.989 nan 8.230 nan 0.000 0.437 305 A N -0.557 122.259 122.820 -0.006 0.000 1.897 305 A HA -0.197 4.126 4.320 0.005 0.000 0.215 305 A C 2.131 179.706 177.584 -0.016 0.000 1.181 305 A CA 1.092 53.131 52.037 0.004 0.000 0.620 305 A CB -0.323 18.677 19.000 -0.000 0.000 0.821 305 A HN 0.524 nan 8.150 nan 0.000 0.443 306 Q N -0.203 119.573 119.800 -0.039 0.000 2.096 306 Q HA -0.172 4.171 4.340 0.005 0.000 0.204 306 Q C 2.034 177.986 176.000 -0.079 0.000 0.982 306 Q CA 1.648 57.414 55.803 -0.061 0.000 0.850 306 Q CB -0.511 28.191 28.738 -0.061 0.000 0.901 306 Q HN 0.703 nan 8.270 nan 0.000 0.422 307 I N 0.804 121.324 120.570 -0.083 0.000 2.226 307 I HA -0.297 3.876 4.170 0.005 0.000 0.245 307 I C 2.643 178.680 176.117 -0.133 0.000 1.100 307 I CA 1.308 62.529 61.300 -0.131 0.000 1.374 307 I CB -0.202 37.577 38.000 -0.368 0.000 1.057 307 I HN 0.204 nan 8.210 nan 0.000 0.413 308 Q N 1.192 120.980 119.800 -0.020 0.000 2.170 308 Q HA -0.209 4.134 4.340 0.005 0.000 0.203 308 Q C 1.723 177.796 176.000 0.122 0.000 0.976 308 Q CA 1.920 57.837 55.803 0.190 0.000 0.858 308 Q CB -0.166 28.698 28.738 0.210 0.000 0.907 308 Q HN 0.444 nan 8.270 nan 0.000 0.433 309 N N -0.597 118.111 118.700 0.013 0.000 2.333 309 N HA -0.012 4.731 4.740 0.005 0.000 0.178 309 N C 0.706 176.151 175.510 -0.108 0.000 1.018 309 N CA 0.994 54.028 53.050 -0.027 0.000 0.882 309 N CB 0.124 38.583 38.487 -0.046 0.000 0.984 309 N HN 0.219 nan 8.380 nan 0.000 0.434 310 N N -0.808 117.744 118.700 -0.246 0.000 2.356 310 N HA 0.119 4.862 4.740 0.005 0.000 0.178 310 N C -0.754 174.296 175.510 -0.766 0.000 1.075 310 N CA 0.364 53.076 53.050 -0.564 0.000 0.889 310 N CB 0.437 38.431 38.487 -0.822 0.000 0.999 310 N HN 0.103 nan 8.380 nan 0.000 0.464 311 F N 0.667 120.618 119.950 0.003 0.000 2.564 311 F HA 0.281 4.811 4.527 0.004 0.000 0.329 311 F C 0.261 176.222 175.800 0.269 0.000 1.458 311 F CA -1.371 56.668 58.000 0.065 0.000 1.117 311 F CB -0.048 38.921 39.000 -0.051 0.000 1.383 311 F HN -0.229 nan 8.300 nan 0.000 0.571 312 S N 1.206 117.089 115.700 0.306 0.000 2.562 312 S HA 0.714 5.187 4.470 0.005 0.000 0.281 312 S C -0.440 174.312 174.600 0.254 0.000 1.333 312 S CA -0.355 58.029 58.200 0.307 0.000 1.052 312 S CB 1.223 64.527 63.200 0.173 0.000 0.884 312 S HN 0.404 nan 8.310 nan 0.000 0.506 313 L N 1.144 122.498 121.223 0.219 0.000 2.371 313 L HA 0.618 4.961 4.340 0.005 0.000 0.262 313 L C -0.398 176.529 176.870 0.095 0.000 1.006 313 L CA -0.684 54.197 54.840 0.069 0.000 0.818 313 L CB 2.190 44.148 42.059 -0.168 0.000 1.354 313 L HN 0.828 nan 8.230 nan 0.000 0.415 314 E N 2.402 122.637 120.200 0.058 0.000 2.267 314 E HA 0.536 4.889 4.350 0.005 0.000 0.248 314 E C -1.563 175.082 176.600 0.076 0.000 0.899 314 E CA -0.325 56.122 56.400 0.079 0.000 0.764 314 E CB 1.004 30.744 29.700 0.067 0.000 1.227 314 E HN 0.425 nan 8.360 nan 0.000 0.421 315 I N 4.201 124.839 120.570 0.113 0.000 2.377 315 I HA 0.267 4.440 4.170 0.005 0.000 0.293 315 I C 0.997 177.239 176.117 0.208 0.000 0.987 315 I CA -0.648 60.742 61.300 0.150 0.000 1.185 315 I CB 1.517 39.620 38.000 0.172 0.000 1.341 315 I HN 0.720 nan 8.210 nan 0.000 0.455 316 N N 4.671 123.482 118.700 0.185 0.000 2.661 316 N HA -0.222 4.521 4.740 0.005 0.000 0.249 316 N C 0.687 176.279 175.510 0.136 0.000 1.142 316 N CA 0.688 53.836 53.050 0.163 0.000 0.727 316 N CB -0.293 38.352 38.487 0.264 0.000 1.099 316 N HN 1.232 nan 8.380 nan 0.000 0.558 317 G N 0.321 109.188 108.800 0.111 0.000 2.385 317 G HA2 -0.297 3.666 3.960 0.005 0.000 0.294 317 G HA3 -0.297 3.666 3.960 0.005 0.000 0.294 317 G C 0.678 175.636 174.900 0.098 0.000 1.070 317 G CA 0.605 45.759 45.100 0.089 0.000 1.172 317 G HN 0.435 nan 8.290 nan 0.000 0.516 318 K N 0.764 121.229 120.400 0.108 0.000 1.992 318 K HA 0.095 4.418 4.320 0.005 0.000 0.225 318 K C -0.075 176.560 176.600 0.058 0.000 1.020 318 K CA 1.441 57.779 56.287 0.085 0.000 1.042 318 K CB -0.957 31.604 32.500 0.102 0.000 0.772 318 K HN 0.550 nan 8.250 nan 0.000 0.444 319 P HA 0.080 nan 4.420 nan 0.000 0.277 319 P C -0.421 176.927 177.300 0.080 0.000 1.271 319 P CA -0.413 62.740 63.100 0.088 0.000 0.795 319 P CB 0.311 32.065 31.700 0.089 0.000 1.101 320 F N 0.510 120.421 119.950 -0.064 0.000 2.412 320 F HA 0.303 4.833 4.527 0.005 0.000 0.348 320 F C 0.537 176.241 175.800 -0.159 0.000 1.102 320 F CA 0.275 58.167 58.000 -0.180 0.000 1.196 320 F CB 0.846 39.662 39.000 -0.306 0.000 1.144 320 F HN 0.183 nan 8.300 nan 0.000 0.541 321 S N 5.972 121.251 115.700 -0.703 0.000 2.640 321 S HA 0.198 4.670 4.470 0.005 0.000 0.320 321 S C 0.212 174.555 174.600 -0.429 0.000 1.097 321 S CA -0.717 57.275 58.200 -0.347 0.000 1.092 321 S CB 0.214 63.284 63.200 -0.216 0.000 0.988 321 S HN 0.851 nan 8.310 nan 0.000 0.470 322 W N 3.643 124.931 121.300 -0.020 0.000 2.388 322 W HA 0.013 4.676 4.660 0.004 0.000 0.294 322 W C 1.968 178.532 176.519 0.076 0.000 1.212 322 W CA 0.327 57.767 57.345 0.159 0.000 1.271 322 W CB -0.197 29.412 29.460 0.249 0.000 1.126 322 W HN 0.678 nan 8.180 nan 0.000 0.535 323 L N 1.013 122.363 121.223 0.211 0.000 2.083 323 L HA -0.229 4.114 4.340 0.005 0.000 0.209 323 L C 2.123 179.001 176.870 0.014 0.000 1.083 323 L CA 1.967 56.863 54.840 0.093 0.000 0.752 323 L CB -1.093 41.002 42.059 0.059 0.000 0.899 323 L HN 0.095 nan 8.230 nan 0.000 0.433 324 N N -0.925 117.751 118.700 -0.041 0.000 2.135 324 N HA -0.251 4.492 4.740 0.005 0.000 0.186 324 N C 2.203 177.677 175.510 -0.061 0.000 1.027 324 N CA 1.442 54.443 53.050 -0.082 0.000 0.849 324 N CB -0.298 38.102 38.487 -0.145 0.000 1.002 324 N HN 0.464 nan 8.380 nan 0.000 0.425 325 F N 1.817 121.585 119.950 -0.303 0.000 2.043 325 F HA -0.294 4.235 4.527 0.004 0.000 0.297 325 F C 2.325 178.092 175.800 -0.055 0.000 1.118 325 F CA 2.010 59.872 58.000 -0.229 0.000 1.202 325 F CB -0.595 38.214 39.000 -0.318 0.000 0.965 325 F HN 0.011 nan 8.300 nan 0.000 0.482 326 T N 0.717 115.136 114.554 -0.225 0.000 2.746 326 T HA -0.187 4.166 4.350 0.005 0.000 0.267 326 T C 1.623 176.206 174.700 -0.194 0.000 1.039 326 T CA 1.494 63.406 62.100 -0.312 0.000 1.142 326 T CB -0.376 68.432 68.868 -0.100 0.000 0.866 326 T HN 0.347 nan 8.240 nan 0.000 0.444 327 N N 0.764 119.399 118.700 -0.107 0.000 2.270 327 N HA -0.033 4.710 4.740 0.005 0.000 0.181 327 N C 1.834 177.299 175.510 -0.075 0.000 1.016 327 N CA 0.622 53.625 53.050 -0.078 0.000 0.870 327 N CB -0.055 38.402 38.487 -0.050 0.000 0.979 327 N HN 0.420 nan 8.380 nan 0.000 0.431 328 E N 0.751 120.907 120.200 -0.073 0.000 2.268 328 E HA -0.053 4.300 4.350 0.005 0.000 0.195 328 E C 1.903 178.470 176.600 -0.054 0.000 0.995 328 E CA 0.389 56.764 56.400 -0.043 0.000 0.836 328 E CB 0.145 29.840 29.700 -0.009 0.000 0.763 328 E HN 0.450 nan 8.360 nan 0.000 0.491 329 I N 0.226 120.729 120.570 -0.112 0.000 2.270 329 I HA -0.188 3.985 4.170 0.005 0.000 0.239 329 I C 2.228 178.289 176.117 -0.093 0.000 1.080 329 I CA 0.674 61.906 61.300 -0.113 0.000 1.383 329 I CB -0.143 37.738 38.000 -0.197 0.000 1.097 329 I HN 0.035 nan 8.210 nan 0.000 0.420 330 M N 0.539 120.077 119.600 -0.102 0.000 2.476 330 M HA -0.040 4.443 4.480 0.005 0.000 0.262 330 M C 2.335 178.597 176.300 -0.063 0.000 1.079 330 M CA 1.057 56.309 55.300 -0.080 0.000 1.104 330 M CB -1.341 31.211 32.600 -0.079 0.000 1.409 330 M HN 0.330 nan 8.290 nan 0.000 0.467 331 S N -1.370 114.296 115.700 -0.058 0.000 2.653 331 S HA -0.036 4.437 4.470 0.005 0.000 0.233 331 S C 1.523 176.096 174.600 -0.044 0.000 0.970 331 S CA 1.033 59.205 58.200 -0.046 0.000 0.947 331 S CB -0.536 62.641 63.200 -0.038 0.000 0.771 331 S HN 0.399 nan 8.310 nan 0.000 0.538 332 T N 0.659 115.182 114.554 -0.052 0.000 2.990 332 T HA 0.203 4.556 4.350 0.005 0.000 0.249 332 T C 1.122 175.787 174.700 -0.058 0.000 1.039 332 T CA 0.585 62.653 62.100 -0.054 0.000 1.036 332 T CB 0.478 69.309 68.868 -0.061 0.000 0.994 332 T HN 0.373 nan 8.240 nan 0.000 0.489 333 V N 2.071 121.949 119.914 -0.060 0.000 3.249 333 V HA 0.392 4.515 4.120 0.005 0.000 0.338 333 V C 0.360 176.423 176.094 -0.051 0.000 1.363 333 V CA -0.129 62.134 62.300 -0.061 0.000 1.205 333 V CB -1.463 30.320 31.823 -0.068 0.000 1.164 333 V HN 0.529 nan 8.190 nan 0.000 0.458 334 N N 1.007 119.679 118.700 -0.045 0.000 2.714 334 N HA -0.185 4.558 4.740 0.005 0.000 0.252 334 N C -0.327 175.159 175.510 -0.040 0.000 1.014 334 N CA 0.893 53.920 53.050 -0.039 0.000 0.735 334 N CB -0.587 37.879 38.487 -0.034 0.000 0.924 334 N HN 0.608 nan 8.380 nan 0.000 0.540 335 I N 0.531 121.075 120.570 -0.044 0.000 2.562 335 I HA 0.244 4.417 4.170 0.005 0.000 0.301 335 I C 0.373 176.466 176.117 -0.041 0.000 1.003 335 I CA -0.560 60.714 61.300 -0.043 0.000 1.127 335 I CB 1.946 39.918 38.000 -0.047 0.000 1.304 335 I HN 0.080 nan 8.210 nan 0.000 0.446 336 S N 6.015 121.694 115.700 -0.036 0.000 2.437 336 S HA 0.722 5.195 4.470 0.005 0.000 0.305 336 S C -0.743 173.837 174.600 -0.033 0.000 1.109 336 S CA -0.712 57.468 58.200 -0.033 0.000 1.099 336 S CB 1.198 64.382 63.200 -0.027 0.000 1.004 336 S HN 0.287 nan 8.310 nan 0.000 0.475 337 I N 3.396 123.947 120.570 -0.033 0.000 2.436 337 I HA 0.469 4.642 4.170 0.005 0.000 0.289 337 I C 0.664 176.770 176.117 -0.019 0.000 1.010 337 I CA -0.507 60.776 61.300 -0.030 0.000 1.098 337 I CB 1.150 39.127 38.000 -0.038 0.000 1.266 337 I HN 0.918 nan 8.210 nan 0.000 0.434 338 T N 1.331 115.876 114.554 -0.016 0.000 2.938 338 T HA 0.375 4.728 4.350 0.005 0.000 0.285 338 T C 0.683 175.381 174.700 -0.003 0.000 1.028 338 T CA -0.675 61.420 62.100 -0.007 0.000 1.005 338 T CB 1.078 69.940 68.868 -0.009 0.000 1.157 338 T HN 0.404 nan 8.240 nan 0.000 0.550 339 N N 0.306 119.009 118.700 0.005 0.000 2.515 339 N HA 0.041 4.784 4.740 0.005 0.000 0.191 339 N C 1.104 176.612 175.510 -0.002 0.000 1.182 339 N CA 0.079 53.136 53.050 0.012 0.000 0.879 339 N CB -0.047 38.454 38.487 0.023 0.000 0.984 339 N HN 0.759 nan 8.380 nan 0.000 0.453 340 E N -0.563 119.631 120.200 -0.010 0.000 2.474 340 E HA 0.025 4.377 4.350 0.005 0.000 0.194 340 E C 0.108 176.692 176.600 -0.027 0.000 1.041 340 E CA -0.102 56.287 56.400 -0.017 0.000 0.874 340 E CB 0.040 29.731 29.700 -0.015 0.000 0.914 340 E HN 0.142 nan 8.360 nan 0.000 0.498 341 E N 2.206 122.388 120.200 -0.030 0.000 2.608 341 E HA -0.053 4.300 4.350 0.005 0.000 0.259 341 E C -0.657 175.905 176.600 -0.063 0.000 0.951 341 E CA 0.124 56.498 56.400 -0.044 0.000 0.945 341 E CB 0.244 29.917 29.700 -0.046 0.000 0.916 341 E HN 0.025 nan 8.360 nan 0.000 0.477 342 D N 2.650 123.006 120.400 -0.073 0.000 2.350 342 D HA 0.240 4.883 4.640 0.005 0.000 0.249 342 D C -0.814 175.392 176.300 -0.158 0.000 1.119 342 D CA -0.077 53.861 54.000 -0.103 0.000 0.886 342 D CB 1.059 41.807 40.800 -0.086 0.000 1.195 342 D HN 0.094 nan 8.370 nan 0.000 0.437 343 V N 2.145 121.935 119.914 -0.207 0.000 2.760 343 V HA 0.242 4.365 4.120 0.005 0.000 0.309 343 V C -0.040 175.807 176.094 -0.413 0.000 1.077 343 V CA -0.997 61.124 62.300 -0.298 0.000 0.910 343 V CB 2.302 33.977 31.823 -0.246 0.000 1.008 343 V HN 0.217 nan 8.190 nan 0.000 0.424 344 V N 4.861 124.399 119.914 -0.627 0.000 2.368 344 V HA 0.281 4.404 4.120 0.005 0.000 0.266 344 V C 0.010 175.711 176.094 -0.655 0.000 1.045 344 V CA -0.332 61.496 62.300 -0.787 0.000 0.899 344 V CB 1.396 32.525 31.823 -1.157 0.000 1.006 344 V HN 0.627 nan 8.190 nan 0.000 0.470 345 V N 6.475 126.122 119.914 -0.445 0.000 2.364 345 V HA 0.257 4.380 4.120 0.005 0.000 0.272 345 V C 0.305 176.336 176.094 -0.105 0.000 1.036 345 V CA -0.355 61.772 62.300 -0.288 0.000 0.880 345 V CB 0.858 32.531 31.823 -0.251 0.000 0.991 345 V HN 0.780 nan 8.190 nan 0.000 0.460 346 Y N 3.156 123.416 120.300 -0.066 0.000 2.503 346 Y HA 0.413 4.966 4.550 0.005 0.000 0.278 346 Y C 1.587 177.485 175.900 -0.003 0.000 1.111 346 Y CA 0.100 58.202 58.100 0.003 0.000 1.270 346 Y CB 0.354 38.867 38.460 0.088 0.000 1.063 346 Y HN 0.644 nan 8.280 nan 0.000 0.548 347 A N -0.214 122.682 122.820 0.127 0.000 3.253 347 A HA 0.421 4.744 4.320 0.005 0.000 0.290 347 A C -1.916 175.656 177.584 -0.020 0.000 0.950 347 A CA -1.078 51.011 52.037 0.087 0.000 0.986 347 A CB -0.026 19.046 19.000 0.121 0.000 1.104 347 A HN -0.028 nan 8.150 nan 0.000 0.481 348 P HA -0.248 nan 4.420 nan 0.000 0.216 348 P C 1.173 178.474 177.300 0.001 0.000 1.157 348 P CA 1.753 64.747 63.100 -0.178 0.000 0.880 348 P CB 0.274 32.068 31.700 0.157 0.000 0.791 349 E N -2.228 118.031 120.200 0.098 0.000 2.158 349 E HA -0.176 4.177 4.350 0.005 0.000 0.191 349 E C 2.082 178.751 176.600 0.114 0.000 0.982 349 E CA 0.518 56.995 56.400 0.129 0.000 0.823 349 E CB -0.670 29.096 29.700 0.111 0.000 0.766 349 E HN 0.350 nan 8.360 nan 0.000 0.468 350 Y N 2.077 122.375 120.300 -0.004 0.000 2.128 350 Y HA -0.242 4.312 4.550 0.006 0.000 0.284 350 Y C 2.029 177.920 175.900 -0.014 0.000 1.154 350 Y CA 1.434 59.528 58.100 -0.009 0.000 1.149 350 Y CB -0.107 38.343 38.460 -0.016 0.000 0.976 350 Y HN -0.074 nan 8.280 nan 0.000 0.505 351 L N -0.675 120.453 121.223 -0.158 0.000 2.042 351 L HA -0.257 4.085 4.340 0.005 0.000 0.210 351 L C 2.375 179.221 176.870 -0.040 0.000 1.076 351 L CA 1.936 56.639 54.840 -0.228 0.000 0.749 351 L CB -1.067 40.710 42.059 -0.470 0.000 0.893 351 L HN 0.263 nan 8.230 nan 0.000 0.432 352 T N -0.624 114.004 114.554 0.124 0.000 2.746 352 T HA -0.186 4.167 4.350 0.005 0.000 0.267 352 T C 1.965 176.690 174.700 0.041 0.000 1.039 352 T CA 1.330 63.544 62.100 0.189 0.000 1.142 352 T CB -0.041 68.961 68.868 0.224 0.000 0.866 352 T HN 0.158 nan 8.240 nan 0.000 0.444 353 K N 0.528 120.913 120.400 -0.025 0.000 2.148 353 K HA 0.105 4.427 4.320 0.005 0.000 0.204 353 K C 1.938 178.460 176.600 -0.129 0.000 1.050 353 K CA 0.358 56.612 56.287 -0.055 0.000 0.942 353 K CB -0.434 32.047 32.500 -0.032 0.000 0.724 353 K HN 0.059 nan 8.250 nan 0.000 0.446 354 L N 1.848 122.899 121.223 -0.286 0.000 2.089 354 L HA -0.249 4.093 4.340 0.005 0.000 0.213 354 L C 2.040 178.829 176.870 -0.136 0.000 1.079 354 L CA 1.781 56.433 54.840 -0.314 0.000 0.758 354 L CB -0.544 41.234 42.059 -0.468 0.000 0.891 354 L HN 0.159 nan 8.230 nan 0.000 0.433 355 K N -0.201 120.155 120.400 -0.073 0.000 1.987 355 K HA -0.158 4.165 4.320 0.005 0.000 0.216 355 K C -0.670 175.928 176.600 -0.004 0.000 1.051 355 K CA 2.069 58.344 56.287 -0.020 0.000 0.942 355 K CB -1.123 31.392 32.500 0.024 0.000 0.722 355 K HN 0.270 nan 8.250 nan 0.000 0.444 356 P HA -0.059 nan 4.420 nan 0.000 0.233 356 P C 1.236 178.555 177.300 0.031 0.000 1.167 356 P CA 1.034 64.144 63.100 0.016 0.000 0.770 356 P CB 0.008 31.716 31.700 0.014 0.000 0.837 357 I N -0.802 119.790 120.570 0.036 0.000 2.235 357 I HA -0.163 4.010 4.170 0.005 0.000 0.241 357 I C 2.177 178.400 176.117 0.176 0.000 1.085 357 I CA 0.888 62.250 61.300 0.104 0.000 1.378 357 I CB -0.807 37.230 38.000 0.062 0.000 1.076 357 I HN -0.170 nan 8.210 nan 0.000 0.415 358 L N 0.541 121.814 121.223 0.084 0.000 2.127 358 L HA -0.181 4.162 4.340 0.005 0.000 0.211 358 L C 2.566 179.517 176.870 0.135 0.000 1.089 358 L CA 1.967 56.865 54.840 0.097 0.000 0.757 358 L CB -1.457 40.594 42.059 -0.013 0.000 0.899 358 L HN 0.305 nan 8.230 nan 0.000 0.434 359 T N -1.740 112.863 114.554 0.082 0.000 2.929 359 T HA -0.181 4.172 4.350 0.005 0.000 0.271 359 T C 1.761 176.480 174.700 0.032 0.000 1.085 359 T CA 0.946 63.078 62.100 0.055 0.000 1.125 359 T CB -0.138 68.748 68.868 0.030 0.000 0.874 359 T HN 0.327 nan 8.240 nan 0.000 0.494 360 K N -0.261 120.151 120.400 0.019 0.000 2.426 360 K HA 0.139 4.462 4.320 0.005 0.000 0.193 360 K C -0.478 175.942 176.600 -0.301 0.000 1.028 360 K CA 0.359 56.538 56.287 -0.180 0.000 1.047 360 K CB 0.234 32.538 32.500 -0.327 0.000 0.821 360 K HN 0.395 nan 8.250 nan 0.000 0.513 361 Y N 0.176 120.464 120.300 -0.020 0.000 2.485 361 Y HA 0.116 4.668 4.550 0.004 0.000 0.345 361 Y C 0.406 176.276 175.900 -0.051 0.000 0.998 361 Y CA -1.262 56.816 58.100 -0.035 0.000 1.059 361 Y CB 1.611 40.052 38.460 -0.032 0.000 1.234 361 Y HN -0.122 nan 8.280 nan 0.000 0.461 362 S N 1.039 116.785 115.700 0.076 0.000 2.576 362 S HA 0.360 4.833 4.470 0.005 0.000 0.276 362 S C 1.277 175.806 174.600 -0.119 0.000 1.339 362 S CA -0.239 57.945 58.200 -0.026 0.000 1.039 362 S CB 1.362 64.528 63.200 -0.057 0.000 0.902 362 S HN 0.958 nan 8.310 nan 0.000 0.516 363 A N 2.892 125.572 122.820 -0.233 0.000 1.929 363 A HA -0.281 4.042 4.320 0.005 0.000 0.221 363 A C 2.277 179.462 177.584 -0.665 0.000 1.211 363 A CA 2.307 53.950 52.037 -0.656 0.000 0.657 363 A CB -1.142 17.426 19.000 -0.719 0.000 0.827 363 A HN 1.028 nan 8.150 nan 0.000 0.462 364 R N -0.698 119.497 120.500 -0.508 0.000 2.091 364 R HA -0.192 4.151 4.340 0.005 0.000 0.238 364 R C 1.543 177.524 176.300 -0.532 0.000 1.136 364 R CA 2.021 57.641 56.100 -0.800 0.000 0.959 364 R CB -0.431 29.601 30.300 -0.447 0.000 0.856 364 R HN 0.501 nan 8.270 nan 0.000 0.437 365 D N 0.645 120.882 120.400 -0.270 0.000 2.084 365 D HA -0.135 4.508 4.640 0.005 0.000 0.196 365 D C 2.098 178.320 176.300 -0.131 0.000 0.985 365 D CA 1.287 55.207 54.000 -0.133 0.000 0.826 365 D CB -0.237 40.601 40.800 0.063 0.000 0.978 365 D HN 0.260 nan 8.370 nan 0.000 0.456 366 L N 0.408 121.565 121.223 -0.111 0.000 1.990 366 L HA -0.255 4.088 4.340 0.005 0.000 0.213 366 L C 2.578 179.468 176.870 0.034 0.000 1.072 366 L CA 1.294 56.121 54.840 -0.022 0.000 0.755 366 L CB -0.454 41.662 42.059 0.094 0.000 0.889 366 L HN 0.034 nan 8.230 nan 0.000 0.432 367 Q N 0.284 120.069 119.800 -0.025 0.000 2.167 367 Q HA -0.159 4.184 4.340 0.005 0.000 0.202 367 Q C 1.787 177.837 176.000 0.082 0.000 0.970 367 Q CA 1.583 57.447 55.803 0.102 0.000 0.855 367 Q CB -0.236 28.527 28.738 0.041 0.000 0.911 367 Q HN 0.444 nan 8.270 nan 0.000 0.438 368 N N -1.027 117.646 118.700 -0.044 0.000 2.223 368 N HA -0.154 4.588 4.740 0.005 0.000 0.185 368 N C 1.330 177.023 175.510 0.305 0.000 1.016 368 N CA 0.886 54.017 53.050 0.134 0.000 0.863 368 N CB -0.013 38.416 38.487 -0.096 0.000 0.983 368 N HN 0.223 nan 8.380 nan 0.000 0.429 369 L N 0.700 122.019 121.223 0.160 0.000 2.049 369 L HA 0.047 4.389 4.340 0.005 0.000 0.203 369 L C 1.990 178.985 176.870 0.209 0.000 1.074 369 L CA 1.349 56.308 54.840 0.200 0.000 0.749 369 L CB -0.581 41.534 42.059 0.093 0.000 0.907 369 L HN 0.134 nan 8.230 nan 0.000 0.439 370 M N -0.669 119.027 119.600 0.160 0.000 2.088 370 M HA -0.279 4.204 4.480 0.005 0.000 0.256 370 M C 2.294 178.663 176.300 0.116 0.000 1.071 370 M CA 2.445 57.831 55.300 0.143 0.000 1.097 370 M CB -0.530 32.178 32.600 0.180 0.000 1.315 370 M HN 0.300 nan 8.290 nan 0.000 0.406 371 S N -0.749 115.024 115.700 0.121 0.000 2.383 371 S HA -0.155 4.318 4.470 0.005 0.000 0.227 371 S C 1.391 175.830 174.600 -0.268 0.000 1.026 371 S CA 0.861 59.048 58.200 -0.020 0.000 0.981 371 S CB -0.479 62.718 63.200 -0.005 0.000 0.818 371 S HN 0.659 nan 8.310 nan 0.000 0.472 372 W N 2.634 123.662 121.300 -0.452 0.000 2.325 372 W HA -0.169 4.494 4.660 0.004 0.000 0.299 372 W C 1.671 178.016 176.519 -0.290 0.000 1.215 372 W CA 1.012 58.035 57.345 -0.536 0.000 1.244 372 W CB -0.137 29.212 29.460 -0.185 0.000 1.140 372 W HN 0.193 nan 8.180 nan 0.000 0.523 373 R N -0.441 119.882 120.500 -0.295 0.000 2.189 373 R HA -0.131 4.212 4.340 0.005 0.000 0.218 373 R C 1.996 178.168 176.300 -0.214 0.000 1.074 373 R CA 0.952 56.862 56.100 -0.317 0.000 0.991 373 R CB -1.181 29.095 30.300 -0.041 0.000 0.883 373 R HN 0.239 nan 8.270 nan 0.000 0.457 374 F N 1.181 120.928 119.950 -0.338 0.000 2.179 374 F HA 0.059 4.589 4.527 0.005 0.000 0.292 374 F C 2.035 177.605 175.800 -0.383 0.000 1.089 374 F CA 0.485 58.309 58.000 -0.293 0.000 1.295 374 F CB -0.497 38.361 39.000 -0.237 0.000 1.041 374 F HN -0.205 nan 8.300 nan 0.000 0.487 375 I N -0.353 119.871 120.570 -0.578 0.000 2.286 375 I HA -0.357 3.816 4.170 0.005 0.000 0.248 375 I C 2.538 178.240 176.117 -0.692 0.000 1.115 375 I CA 1.029 61.913 61.300 -0.694 0.000 1.392 375 I CB -0.429 37.135 38.000 -0.726 0.000 1.065 375 I HN 0.178 nan 8.210 nan 0.000 0.418 376 M N 0.551 119.531 119.600 -1.033 0.000 2.405 376 M HA -0.369 4.114 4.480 0.005 0.000 0.256 376 M C 1.796 177.892 176.300 -0.341 0.000 1.067 376 M CA 2.319 57.062 55.300 -0.929 0.000 1.073 376 M CB -0.485 31.584 32.600 -0.886 0.000 1.273 376 M HN 0.230 nan 8.290 nan 0.000 0.443 377 D N -0.197 120.042 120.400 -0.267 0.000 2.178 377 D HA -0.084 4.559 4.640 0.005 0.000 0.202 377 D C 1.910 178.144 176.300 -0.111 0.000 0.974 377 D CA 1.211 55.150 54.000 -0.101 0.000 0.841 377 D CB -0.304 40.476 40.800 -0.033 0.000 0.953 377 D HN 0.419 nan 8.370 nan 0.000 0.478 378 L N -0.016 121.068 121.223 -0.233 0.000 2.341 378 L HA 0.016 4.359 4.340 0.005 0.000 0.214 378 L C 2.320 179.176 176.870 -0.023 0.000 1.115 378 L CA 0.136 54.865 54.840 -0.185 0.000 0.820 378 L CB -0.008 41.861 42.059 -0.316 0.000 0.944 378 L HN -0.098 nan 8.230 nan 0.000 0.452 379 V N -0.263 119.644 119.914 -0.013 0.000 2.809 379 V HA -0.168 3.955 4.120 0.005 0.000 0.256 379 V C 2.356 178.544 176.094 0.157 0.000 1.080 379 V CA 1.774 64.123 62.300 0.082 0.000 1.102 379 V CB 0.097 32.050 31.823 0.217 0.000 0.705 379 V HN 0.600 nan 8.190 nan 0.000 0.475 380 S N -1.583 114.197 115.700 0.134 0.000 2.631 380 S HA 0.069 4.542 4.470 0.005 0.000 0.217 380 S C 1.321 175.985 174.600 0.106 0.000 0.958 380 S CA 0.627 58.900 58.200 0.122 0.000 0.920 380 S CB 0.137 63.398 63.200 0.101 0.000 0.776 380 S HN 0.496 nan 8.310 nan 0.000 0.517 381 S N 0.934 116.712 115.700 0.130 0.000 2.568 381 S HA 0.463 4.936 4.470 0.005 0.000 0.232 381 S C 0.361 175.101 174.600 0.234 0.000 0.975 381 S CA -0.523 57.803 58.200 0.211 0.000 0.949 381 S CB 0.012 63.313 63.200 0.170 0.000 0.829 381 S HN 0.427 nan 8.310 nan 0.000 0.479 382 L N 0.732 122.030 121.223 0.125 0.000 2.693 382 L HA 0.510 4.853 4.340 0.005 0.000 0.253 382 L C 0.977 177.905 176.870 0.097 0.000 1.155 382 L CA -0.951 53.911 54.840 0.035 0.000 1.026 382 L CB 0.232 42.182 42.059 -0.181 0.000 1.817 382 L HN 0.181 nan 8.230 nan 0.000 0.556 383 S N -0.544 115.233 115.700 0.127 0.000 2.596 383 S HA 0.048 4.521 4.470 0.005 0.000 0.260 383 S C 0.807 175.503 174.600 0.161 0.000 1.336 383 S CA -0.299 57.985 58.200 0.140 0.000 0.993 383 S CB 1.014 64.305 63.200 0.152 0.000 0.923 383 S HN 0.578 nan 8.310 nan 0.000 0.567 384 R N 0.771 121.329 120.500 0.096 0.000 2.091 384 R HA -0.075 4.268 4.340 0.005 0.000 0.238 384 R C 2.098 178.442 176.300 0.074 0.000 1.136 384 R CA 2.506 58.648 56.100 0.070 0.000 0.959 384 R CB -1.782 28.541 30.300 0.037 0.000 0.856 384 R HN 0.836 nan 8.270 nan 0.000 0.437 385 T N -0.009 114.578 114.554 0.056 0.000 2.759 385 T HA -0.143 4.210 4.350 0.005 0.000 0.269 385 T C 1.332 176.004 174.700 -0.046 0.000 1.042 385 T CA 1.698 63.786 62.100 -0.021 0.000 1.140 385 T CB -0.390 68.425 68.868 -0.088 0.000 0.864 385 T HN 0.262 nan 8.240 nan 0.000 0.455 386 Y N 1.388 121.730 120.300 0.070 0.000 2.263 386 Y HA 0.040 4.593 4.550 0.005 0.000 0.292 386 Y C 2.474 178.449 175.900 0.125 0.000 1.130 386 Y CA 0.685 58.848 58.100 0.105 0.000 1.179 386 Y CB -0.117 38.391 38.460 0.080 0.000 0.998 386 Y HN 0.097 nan 8.280 nan 0.000 0.532 387 K N 0.256 120.793 120.400 0.228 0.000 2.026 387 K HA -0.225 4.098 4.320 0.005 0.000 0.208 387 K C 1.882 178.541 176.600 0.098 0.000 1.048 387 K CA 1.730 58.105 56.287 0.146 0.000 0.929 387 K CB -0.289 32.266 32.500 0.092 0.000 0.713 387 K HN 0.415 nan 8.250 nan 0.000 0.439 388 E N 0.762 121.005 120.200 0.071 0.000 2.130 388 E HA -0.191 4.162 4.350 0.005 0.000 0.196 388 E C 1.963 178.585 176.600 0.038 0.000 0.998 388 E CA 1.582 58.004 56.400 0.037 0.000 0.806 388 E CB -0.079 29.634 29.700 0.021 0.000 0.738 388 E HN 0.294 nan 8.360 nan 0.000 0.459 389 S N 0.290 116.046 115.700 0.093 0.000 2.547 389 S HA -0.121 4.352 4.470 0.005 0.000 0.235 389 S C 1.705 176.298 174.600 -0.012 0.000 0.980 389 S CA 0.728 59.018 58.200 0.150 0.000 0.941 389 S CB 0.025 63.411 63.200 0.310 0.000 0.763 389 S HN 0.133 nan 8.310 nan 0.000 0.532 390 R N 0.369 120.770 120.500 -0.164 0.000 2.362 390 R HA 0.272 4.615 4.340 0.005 0.000 0.227 390 R C 1.553 177.699 176.300 -0.257 0.000 0.905 390 R CA 0.028 55.777 56.100 -0.586 0.000 1.067 390 R CB -0.119 30.041 30.300 -0.233 0.000 1.078 390 R HN 0.346 nan 8.270 nan 0.000 0.516 391 N N 1.165 119.801 118.700 -0.107 0.000 2.025 391 N HA -0.190 4.553 4.740 0.005 0.000 0.194 391 N C 1.563 177.074 175.510 0.002 0.000 1.044 391 N CA 1.978 55.010 53.050 -0.029 0.000 0.851 391 N CB -0.188 38.294 38.487 -0.008 0.000 1.036 391 N HN 0.284 nan 8.380 nan 0.000 0.422 392 A N 0.717 123.548 122.820 0.017 0.000 1.930 392 A HA -0.087 4.236 4.320 0.005 0.000 0.217 392 A C 2.130 179.783 177.584 0.114 0.000 1.175 392 A CA 0.728 52.803 52.037 0.063 0.000 0.627 392 A CB -0.986 18.061 19.000 0.079 0.000 0.815 392 A HN 0.337 nan 8.150 nan 0.000 0.443 393 F N 1.485 121.401 119.950 -0.057 0.000 2.043 393 F HA -0.365 4.165 4.527 0.005 0.000 0.297 393 F C 2.641 178.464 175.800 0.037 0.000 1.118 393 F CA 2.467 60.469 58.000 0.003 0.000 1.202 393 F CB -0.059 38.886 39.000 -0.091 0.000 0.965 393 F HN 0.348 nan 8.300 nan 0.000 0.482 394 R N 0.467 120.982 120.500 0.025 0.000 2.148 394 R HA -0.104 4.239 4.340 0.005 0.000 0.223 394 R C 2.137 178.483 176.300 0.077 0.000 1.088 394 R CA 1.553 57.695 56.100 0.070 0.000 0.985 394 R CB -0.684 29.728 30.300 0.187 0.000 0.880 394 R HN 0.259 nan 8.270 nan 0.000 0.451 395 K N 0.882 121.307 120.400 0.042 0.000 2.063 395 K HA -0.104 4.219 4.320 0.005 0.000 0.208 395 K C 2.090 178.696 176.600 0.010 0.000 1.048 395 K CA 1.538 57.847 56.287 0.037 0.000 0.928 395 K CB -0.234 32.284 32.500 0.031 0.000 0.713 395 K HN 0.318 nan 8.250 nan 0.000 0.442 396 A N 0.976 123.782 122.820 -0.022 0.000 1.898 396 A HA -0.079 4.243 4.320 0.005 0.000 0.216 396 A C 2.026 179.553 177.584 -0.095 0.000 1.181 396 A CA 1.173 53.191 52.037 -0.031 0.000 0.620 396 A CB -0.419 18.587 19.000 0.010 0.000 0.819 396 A HN 0.304 nan 8.150 nan 0.000 0.442 397 L N -3.135 117.913 121.223 -0.293 0.000 2.209 397 L HA -0.003 4.340 4.340 0.005 0.000 0.207 397 L C 1.858 178.446 176.870 -0.470 0.000 1.094 397 L CA 1.061 55.588 54.840 -0.522 0.000 0.790 397 L CB -0.254 41.164 42.059 -1.068 0.000 0.932 397 L HN 0.477 nan 8.230 nan 0.000 0.447 398 Y N -1.076 119.227 120.300 0.005 0.000 2.441 398 Y HA 0.326 4.879 4.550 0.005 0.000 0.266 398 Y C 1.797 177.707 175.900 0.017 0.000 1.093 398 Y CA 0.169 58.273 58.100 0.006 0.000 1.246 398 Y CB 0.521 38.920 38.460 -0.101 0.000 1.262 398 Y HN 0.118 nan 8.280 nan 0.000 0.518 399 G N 0.795 109.676 108.800 0.135 0.000 2.176 399 G HA2 -0.303 3.660 3.960 0.005 0.000 0.253 399 G HA3 -0.303 3.660 3.960 0.005 0.000 0.253 399 G C 0.391 175.326 174.900 0.059 0.000 0.979 399 G CA 0.420 45.572 45.100 0.086 0.000 0.641 399 G HN 0.438 nan 8.290 nan 0.000 0.530 400 T N -0.971 113.621 114.554 0.063 0.000 2.897 400 T HA 0.535 4.888 4.350 0.005 0.000 0.294 400 T C 1.410 176.115 174.700 0.007 0.000 1.004 400 T CA 0.851 62.959 62.100 0.014 0.000 1.106 400 T CB 1.615 70.471 68.868 -0.021 0.000 0.949 400 T HN 0.893 nan 8.240 nan 0.000 0.520 401 T N -1.469 113.080 114.554 -0.010 0.000 3.040 401 T HA 0.329 4.682 4.350 0.005 0.000 0.250 401 T C 0.648 175.338 174.700 -0.017 0.000 1.058 401 T CA -0.064 62.031 62.100 -0.009 0.000 0.988 401 T CB 0.061 68.922 68.868 -0.011 0.000 0.993 401 T HN 0.726 nan 8.240 nan 0.000 0.519 402 S N -0.172 115.510 115.700 -0.029 0.000 2.570 402 S HA 0.465 4.938 4.470 0.005 0.000 0.270 402 S C -1.707 172.860 174.600 -0.054 0.000 1.149 402 S CA -0.761 57.416 58.200 -0.038 0.000 0.837 402 S CB 2.177 65.352 63.200 -0.042 0.000 1.124 402 S HN 0.391 nan 8.310 nan 0.000 0.465 403 E N 1.036 121.202 120.200 -0.057 0.000 2.343 403 E HA 0.321 4.674 4.350 0.005 0.000 0.269 403 E C 0.001 176.539 176.600 -0.104 0.000 1.047 403 E CA -0.173 56.180 56.400 -0.079 0.000 0.874 403 E CB 1.016 30.677 29.700 -0.065 0.000 1.033 403 E HN 0.637 nan 8.360 nan 0.000 0.409 404 T N 2.095 116.569 114.554 -0.133 0.000 2.939 404 T HA 0.083 4.436 4.350 0.005 0.000 0.319 404 T C 0.027 174.603 174.700 -0.208 0.000 1.082 404 T CA 0.074 62.069 62.100 -0.176 0.000 1.133 404 T CB 0.215 68.967 68.868 -0.194 0.000 1.019 404 T HN 0.549 nan 8.240 nan 0.000 0.548 405 A N 4.451 127.100 122.820 -0.285 0.000 2.587 405 A HA 0.175 4.498 4.320 0.005 0.000 0.233 405 A C 1.759 179.132 177.584 -0.351 0.000 1.049 405 A CA 0.523 52.360 52.037 -0.333 0.000 0.754 405 A CB -0.306 18.371 19.000 -0.539 0.000 0.977 405 A HN 1.043 nan 8.150 nan 0.000 0.509 406 T N 2.405 116.841 114.554 -0.195 0.000 2.746 406 T HA -0.163 4.190 4.350 0.005 0.000 0.267 406 T C 1.658 176.291 174.700 -0.111 0.000 1.039 406 T CA 1.938 63.952 62.100 -0.144 0.000 1.142 406 T CB -0.294 68.519 68.868 -0.092 0.000 0.866 406 T HN 0.924 nan 8.240 nan 0.000 0.444 407 W N 2.063 123.333 121.300 -0.051 0.000 2.374 407 W HA -0.060 4.603 4.660 0.005 0.000 0.288 407 W C 1.789 178.375 176.519 0.111 0.000 1.218 407 W CA 0.439 57.796 57.345 0.019 0.000 1.245 407 W CB -0.788 28.732 29.460 0.101 0.000 1.126 407 W HN 0.213 nan 8.180 nan 0.000 0.545 408 R N 0.657 120.798 120.500 -0.598 0.000 2.062 408 R HA -0.027 4.316 4.340 0.005 0.000 0.229 408 R C 2.676 178.874 176.300 -0.170 0.000 1.128 408 R CA 1.476 57.234 56.100 -0.569 0.000 0.960 408 R CB -0.409 29.357 30.300 -0.890 0.000 0.855 408 R HN 0.098 nan 8.270 nan 0.000 0.432 409 R N -0.012 120.384 120.500 -0.173 0.000 2.103 409 R HA -0.187 4.156 4.340 0.005 0.000 0.242 409 R C 2.364 178.686 176.300 0.037 0.000 1.142 409 R CA 1.737 57.797 56.100 -0.068 0.000 0.960 409 R CB -0.556 29.686 30.300 -0.097 0.000 0.858 409 R HN 0.314 nan 8.270 nan 0.000 0.439 410 c N -0.218 118.407 118.600 0.042 0.000 2.500 410 c HA 0.086 4.659 4.570 0.005 0.000 0.279 410 c C 2.981 177.265 174.090 0.324 0.000 1.288 410 c CA 0.413 56.802 56.329 0.101 0.000 1.710 410 c CB -0.919 41.519 42.510 -0.119 0.000 2.052 410 c HN 0.599 nan 8.230 nan 0.000 0.488 411 A N 1.797 124.880 122.820 0.439 0.000 1.896 411 A HA -0.281 4.042 4.320 0.005 0.000 0.220 411 A C 1.882 179.582 177.584 0.194 0.000 1.206 411 A CA 2.497 54.736 52.037 0.338 0.000 0.647 411 A CB -0.841 18.358 19.000 0.332 0.000 0.828 411 A HN 0.671 nan 8.150 nan 0.000 0.455 412 N N -1.787 117.002 118.700 0.149 0.000 2.120 412 N HA -0.177 4.565 4.740 0.005 0.000 0.188 412 N C 1.611 177.188 175.510 0.113 0.000 1.024 412 N CA 1.781 54.887 53.050 0.094 0.000 0.852 412 N CB -0.621 37.902 38.487 0.059 0.000 1.003 412 N HN 0.714 nan 8.380 nan 0.000 0.424 413 Y N 2.027 122.358 120.300 0.052 0.000 2.145 413 Y HA -0.208 4.345 4.550 0.005 0.000 0.286 413 Y C 2.360 178.288 175.900 0.047 0.000 1.145 413 Y CA 1.651 59.784 58.100 0.055 0.000 1.148 413 Y CB -0.354 38.158 38.460 0.087 0.000 0.981 413 Y HN -0.054 nan 8.280 nan 0.000 0.507 414 V N -0.678 119.338 119.914 0.171 0.000 2.343 414 V HA -0.266 3.857 4.120 0.005 0.000 0.247 414 V C 2.209 178.275 176.094 -0.047 0.000 1.051 414 V CA 2.271 64.598 62.300 0.045 0.000 1.036 414 V CB -1.291 30.608 31.823 0.127 0.000 0.654 414 V HN 0.450 nan 8.190 nan 0.000 0.451 415 N N 2.330 121.025 118.700 -0.009 0.000 2.060 415 N HA -0.140 4.603 4.740 0.005 0.000 0.195 415 N C 1.812 177.287 175.510 -0.059 0.000 1.028 415 N CA 2.382 55.414 53.050 -0.030 0.000 0.861 415 N CB -0.995 37.482 38.487 -0.017 0.000 1.029 415 N HN 0.638 nan 8.380 nan 0.000 0.428 416 G N -0.964 107.775 108.800 -0.101 0.000 2.511 416 G HA2 -0.114 3.849 3.960 0.005 0.000 0.217 416 G HA3 -0.114 3.849 3.960 0.005 0.000 0.217 416 G C 1.385 176.197 174.900 -0.148 0.000 1.133 416 G CA 0.258 45.286 45.100 -0.119 0.000 0.792 416 G HN 0.352 nan 8.290 nan 0.000 0.539 417 N N -0.254 118.318 118.700 -0.215 0.000 2.250 417 N HA 0.174 4.917 4.740 0.005 0.000 0.190 417 N C 0.528 176.038 175.510 0.001 0.000 1.116 417 N CA 0.197 53.154 53.050 -0.155 0.000 0.881 417 N CB 0.512 38.800 38.487 -0.332 0.000 1.006 417 N HN 0.279 nan 8.380 nan 0.000 0.491 418 M N 0.992 120.582 119.600 -0.017 0.000 3.287 418 M HA 0.144 4.627 4.480 0.005 0.000 0.336 418 M C 0.626 176.972 176.300 0.077 0.000 1.573 418 M CA -0.083 55.239 55.300 0.038 0.000 0.609 418 M CB 0.946 33.385 32.600 -0.268 0.000 1.421 418 M HN 0.023 nan 8.290 nan 0.000 0.476 419 E N -0.428 119.827 120.200 0.091 0.000 2.150 419 E HA -0.134 4.219 4.350 0.005 0.000 0.193 419 E C 0.928 177.555 176.600 0.045 0.000 0.985 419 E CA 1.163 57.584 56.400 0.036 0.000 0.814 419 E CB 0.057 29.764 29.700 0.012 0.000 0.752 419 E HN 0.463 nan 8.360 nan 0.000 0.466 420 N N 1.426 120.188 118.700 0.103 0.000 2.207 420 N HA -0.006 4.737 4.740 0.005 0.000 0.182 420 N C 1.888 177.459 175.510 0.101 0.000 1.020 420 N CA 1.477 54.568 53.050 0.068 0.000 0.858 420 N CB -0.388 38.125 38.487 0.044 0.000 0.991 420 N HN 0.309 nan 8.380 nan 0.000 0.427 421 A N 0.616 123.559 122.820 0.205 0.000 1.908 421 A HA -0.099 4.223 4.320 0.005 0.000 0.218 421 A C 2.381 179.978 177.584 0.021 0.000 1.181 421 A CA 1.520 53.620 52.037 0.105 0.000 0.627 421 A CB -0.728 18.245 19.000 -0.045 0.000 0.818 421 A HN 0.121 nan 8.150 nan 0.000 0.445 422 V N -0.488 119.432 119.914 0.009 0.000 2.649 422 V HA -0.047 4.076 4.120 0.005 0.000 0.248 422 V C 2.705 178.813 176.094 0.022 0.000 1.054 422 V CA 1.459 63.758 62.300 -0.001 0.000 1.073 422 V CB -1.021 30.793 31.823 -0.015 0.000 0.699 422 V HN 0.610 nan 8.190 nan 0.000 0.463 423 G N 0.286 109.093 108.800 0.010 0.000 2.422 423 G HA2 -0.263 3.700 3.960 0.005 0.000 0.218 423 G HA3 -0.263 3.700 3.960 0.005 0.000 0.218 423 G C 1.679 176.566 174.900 -0.023 0.000 1.140 423 G CA 0.875 45.983 45.100 0.012 0.000 0.775 423 G HN 0.475 nan 8.290 nan 0.000 0.545 424 R N 0.131 120.605 120.500 -0.044 0.000 2.066 424 R HA 0.063 4.406 4.340 0.005 0.000 0.232 424 R C 2.421 178.675 176.300 -0.076 0.000 1.131 424 R CA 1.121 57.167 56.100 -0.090 0.000 0.955 424 R CB -0.479 29.796 30.300 -0.042 0.000 0.851 424 R HN 0.366 nan 8.270 nan 0.000 0.432 425 L N -0.035 121.173 121.223 -0.026 0.000 2.046 425 L HA -0.197 4.146 4.340 0.005 0.000 0.208 425 L C 2.596 179.464 176.870 -0.004 0.000 1.077 425 L CA 1.515 56.342 54.840 -0.021 0.000 0.747 425 L CB -0.720 41.332 42.059 -0.012 0.000 0.896 425 L HN 0.259 nan 8.230 nan 0.000 0.432 426 Y N 0.828 121.080 120.300 -0.080 0.000 2.145 426 Y HA -0.235 4.318 4.550 0.005 0.000 0.286 426 Y C 2.450 178.317 175.900 -0.055 0.000 1.145 426 Y CA 1.945 60.009 58.100 -0.059 0.000 1.148 426 Y CB -0.317 38.111 38.460 -0.053 0.000 0.981 426 Y HN 0.043 nan 8.280 nan 0.000 0.507 427 V N -1.999 117.811 119.914 -0.172 0.000 2.453 427 V HA -0.149 3.974 4.120 0.005 0.000 0.247 427 V C 1.880 177.858 176.094 -0.193 0.000 1.048 427 V CA 1.936 64.091 62.300 -0.242 0.000 1.049 427 V CB -0.877 30.673 31.823 -0.455 0.000 0.672 427 V HN 0.385 nan 8.190 nan 0.000 0.457 428 E N 1.260 121.351 120.200 -0.180 0.000 2.153 428 E HA -0.091 4.262 4.350 0.005 0.000 0.194 428 E C 2.322 178.851 176.600 -0.118 0.000 0.988 428 E CA 1.353 57.679 56.400 -0.122 0.000 0.811 428 E CB -0.291 29.353 29.700 -0.093 0.000 0.746 428 E HN 0.731 nan 8.360 nan 0.000 0.466 429 A N 0.584 123.312 122.820 -0.154 0.000 1.930 429 A HA 0.145 4.468 4.320 0.005 0.000 0.215 429 A C 2.040 179.516 177.584 -0.179 0.000 1.176 429 A CA 1.524 53.472 52.037 -0.147 0.000 0.632 429 A CB 0.115 19.037 19.000 -0.131 0.000 0.819 429 A HN 0.263 nan 8.150 nan 0.000 0.445 430 A N -3.001 119.650 122.820 -0.282 0.000 2.425 430 A HA 0.566 4.888 4.320 0.005 0.000 0.201 430 A C 0.094 177.579 177.584 -0.164 0.000 1.431 430 A CA -0.127 51.714 52.037 -0.328 0.000 1.066 430 A CB 0.213 18.762 19.000 -0.751 0.000 1.318 430 A HN 0.476 nan 8.150 nan 0.000 0.534 431 F N -0.824 118.956 119.950 -0.283 0.000 2.546 431 F HA 0.633 5.163 4.527 0.005 0.000 0.320 431 F C 0.962 176.745 175.800 -0.028 0.000 1.076 431 F CA -0.204 57.726 58.000 -0.117 0.000 0.928 431 F CB 2.049 40.999 39.000 -0.083 0.000 1.189 431 F HN 0.018 nan 8.300 nan 0.000 0.465 432 A N 2.827 125.054 122.820 -0.987 0.000 1.887 432 A HA 0.460 4.783 4.320 0.005 0.000 0.212 432 A C 1.656 178.994 177.584 -0.410 0.000 1.198 432 A CA 1.193 52.920 52.037 -0.517 0.000 0.628 432 A CB -0.962 17.808 19.000 -0.382 0.000 0.847 432 A HN 1.756 nan 8.150 nan 0.000 0.449 433 G N -1.372 107.065 108.800 -0.605 0.000 2.561 433 G HA2 -0.206 3.757 3.960 0.005 0.000 0.203 433 G HA3 -0.206 3.757 3.960 0.005 0.000 0.203 433 G C 0.842 175.774 174.900 0.054 0.000 1.101 433 G CA 0.502 45.544 45.100 -0.098 0.000 0.711 433 G HN 0.293 nan 8.290 nan 0.000 0.511 434 E N 1.445 121.675 120.200 0.050 0.000 2.435 434 E HA 0.122 4.475 4.350 0.005 0.000 0.195 434 E C 2.456 179.168 176.600 0.187 0.000 1.029 434 E CA 0.921 57.450 56.400 0.216 0.000 0.865 434 E CB -0.096 29.662 29.700 0.097 0.000 0.833 434 E HN 0.475 nan 8.360 nan 0.000 0.510 435 S N 1.532 117.266 115.700 0.056 0.000 2.372 435 S HA -0.236 4.237 4.470 0.005 0.000 0.227 435 S C 1.890 176.569 174.600 0.132 0.000 1.044 435 S CA 1.600 59.898 58.200 0.164 0.000 1.050 435 S CB -0.151 63.091 63.200 0.069 0.000 0.901 435 S HN 0.259 nan 8.310 nan 0.000 0.447 436 K N 0.089 120.590 120.400 0.169 0.000 2.044 436 K HA -0.207 4.116 4.320 0.005 0.000 0.210 436 K C 1.952 178.507 176.600 -0.075 0.000 1.049 436 K CA 1.797 58.122 56.287 0.063 0.000 0.927 436 K CB -0.176 32.305 32.500 -0.031 0.000 0.713 436 K HN 0.495 nan 8.250 nan 0.000 0.443 437 H N -0.912 118.189 119.070 0.051 0.000 2.389 437 H HA -0.076 4.483 4.556 0.005 0.000 0.299 437 H C 1.968 177.304 175.328 0.012 0.000 1.081 437 H CA 1.442 57.509 56.048 0.031 0.000 1.345 437 H CB 0.084 29.869 29.762 0.039 0.000 1.393 437 H HN -0.036 nan 8.280 nan 0.000 0.520 438 V N -0.018 119.978 119.914 0.136 0.000 2.379 438 V HA -0.190 3.933 4.120 0.005 0.000 0.245 438 V C 2.270 178.312 176.094 -0.085 0.000 1.044 438 V CA 1.278 63.628 62.300 0.084 0.000 1.036 438 V CB -0.334 31.632 31.823 0.239 0.000 0.664 438 V HN 0.268 nan 8.190 nan 0.000 0.453 439 V N -0.035 119.731 119.914 -0.247 0.000 2.427 439 V HA -0.252 3.871 4.120 0.005 0.000 0.248 439 V C 2.376 178.339 176.094 -0.219 0.000 1.051 439 V CA 1.915 63.995 62.300 -0.367 0.000 1.048 439 V CB -0.711 30.838 31.823 -0.457 0.000 0.666 439 V HN 0.609 nan 8.190 nan 0.000 0.456 440 E N 0.267 120.395 120.200 -0.120 0.000 2.070 440 E HA -0.323 4.030 4.350 0.005 0.000 0.197 440 E C 1.979 178.554 176.600 -0.042 0.000 1.004 440 E CA 1.920 58.280 56.400 -0.066 0.000 0.805 440 E CB -0.233 29.451 29.700 -0.025 0.000 0.744 440 E HN 0.750 nan 8.360 nan 0.000 0.451 441 D N 0.365 120.755 120.400 -0.016 0.000 2.123 441 D HA -0.119 4.524 4.640 0.005 0.000 0.200 441 D C 2.004 178.303 176.300 -0.002 0.000 0.976 441 D CA 0.598 54.608 54.000 0.016 0.000 0.831 441 D CB -0.053 40.778 40.800 0.051 0.000 0.974 441 D HN 0.051 nan 8.370 nan 0.000 0.469 442 L N 0.181 121.368 121.223 -0.061 0.000 2.021 442 L HA -0.217 4.126 4.340 0.005 0.000 0.215 442 L C 2.453 179.271 176.870 -0.086 0.000 1.074 442 L CA 1.223 55.994 54.840 -0.114 0.000 0.760 442 L CB -0.315 41.595 42.059 -0.248 0.000 0.889 442 L HN 0.247 nan 8.230 nan 0.000 0.433 443 I N -0.859 119.638 120.570 -0.122 0.000 2.286 443 I HA -0.293 3.880 4.170 0.005 0.000 0.248 443 I C 2.686 178.799 176.117 -0.006 0.000 1.115 443 I CA 1.101 62.348 61.300 -0.087 0.000 1.392 443 I CB -0.436 37.505 38.000 -0.098 0.000 1.065 443 I HN 0.260 nan 8.210 nan 0.000 0.418 444 A N 0.236 123.059 122.820 0.005 0.000 1.902 444 A HA -0.265 4.058 4.320 0.005 0.000 0.217 444 A C 2.256 179.874 177.584 0.057 0.000 1.181 444 A CA 1.624 53.680 52.037 0.032 0.000 0.623 444 A CB -0.581 18.439 19.000 0.034 0.000 0.818 444 A HN 0.482 nan 8.150 nan 0.000 0.443 445 Q N -0.896 118.946 119.800 0.070 0.000 2.050 445 Q HA -0.109 4.234 4.340 0.005 0.000 0.202 445 Q C 1.971 178.046 176.000 0.125 0.000 0.980 445 Q CA 1.607 57.479 55.803 0.114 0.000 0.840 445 Q CB -0.280 28.561 28.738 0.171 0.000 0.898 445 Q HN 0.687 nan 8.270 nan 0.000 0.424 446 I N 0.296 120.936 120.570 0.117 0.000 2.439 446 I HA -0.206 3.967 4.170 0.005 0.000 0.251 446 I C 2.537 178.737 176.117 0.138 0.000 1.139 446 I CA 0.715 62.101 61.300 0.143 0.000 1.438 446 I CB -0.129 37.946 38.000 0.125 0.000 1.085 446 I HN 0.108 nan 8.210 nan 0.000 0.427 447 R N 0.583 121.142 120.500 0.098 0.000 2.081 447 R HA -0.191 4.152 4.340 0.005 0.000 0.235 447 R C 2.183 178.560 176.300 0.129 0.000 1.131 447 R CA 1.399 57.552 56.100 0.089 0.000 0.960 447 R CB -0.118 30.214 30.300 0.052 0.000 0.856 447 R HN 0.239 nan 8.270 nan 0.000 0.436 448 E N 0.303 120.566 120.200 0.105 0.000 2.051 448 E HA -0.137 4.215 4.350 0.005 0.000 0.192 448 E C 2.004 178.668 176.600 0.105 0.000 0.991 448 E CA 1.160 57.616 56.400 0.094 0.000 0.799 448 E CB -0.217 29.527 29.700 0.074 0.000 0.748 448 E HN 0.160 nan 8.360 nan 0.000 0.449 449 V N 1.104 121.091 119.914 0.122 0.000 2.392 449 V HA -0.244 3.879 4.120 0.005 0.000 0.249 449 V C 2.178 178.342 176.094 0.115 0.000 1.059 449 V CA 1.781 64.148 62.300 0.112 0.000 1.051 449 V CB -0.601 31.303 31.823 0.135 0.000 0.658 449 V HN 0.215 nan 8.190 nan 0.000 0.455 450 F N 0.548 120.499 119.950 0.002 0.000 2.075 450 F HA -0.186 4.344 4.527 0.005 0.000 0.297 450 F C 2.162 177.918 175.800 -0.074 0.000 1.113 450 F CA 1.849 59.814 58.000 -0.059 0.000 1.218 450 F CB -0.244 38.672 39.000 -0.141 0.000 0.984 450 F HN 0.046 nan 8.300 nan 0.000 0.472 451 I N 0.298 120.974 120.570 0.177 0.000 2.118 451 I HA -0.398 3.774 4.170 0.005 0.000 0.241 451 I C 2.395 178.486 176.117 -0.044 0.000 1.070 451 I CA 1.928 63.264 61.300 0.060 0.000 1.327 451 I CB -0.861 37.193 38.000 0.091 0.000 1.034 451 I HN 0.307 nan 8.210 nan 0.000 0.405 452 Q N -0.175 119.617 119.800 -0.013 0.000 2.224 452 Q HA -0.149 4.194 4.340 0.005 0.000 0.203 452 Q C 2.127 178.094 176.000 -0.054 0.000 0.970 452 Q CA 1.720 57.509 55.803 -0.024 0.000 0.865 452 Q CB -0.109 28.630 28.738 0.002 0.000 0.922 452 Q HN 0.512 nan 8.270 nan 0.000 0.445 453 T N 1.100 115.601 114.554 -0.088 0.000 2.904 453 T HA -0.031 4.321 4.350 0.005 0.000 0.267 453 T C 1.741 176.357 174.700 -0.139 0.000 1.059 453 T CA 0.504 62.546 62.100 -0.097 0.000 1.137 453 T CB -0.061 68.745 68.868 -0.104 0.000 0.879 453 T HN 0.212 nan 8.240 nan 0.000 0.467 454 L N 1.071 122.168 121.223 -0.209 0.000 2.129 454 L HA -0.185 4.158 4.340 0.005 0.000 0.212 454 L C 2.147 178.924 176.870 -0.156 0.000 1.087 454 L CA 1.149 55.870 54.840 -0.197 0.000 0.757 454 L CB -0.585 41.365 42.059 -0.181 0.000 0.896 454 L HN 0.189 nan 8.230 nan 0.000 0.434 455 D N -0.437 119.896 120.400 -0.111 0.000 2.224 455 D HA -0.138 4.505 4.640 0.005 0.000 0.205 455 D C 1.596 177.847 176.300 -0.082 0.000 0.965 455 D CA 0.961 54.909 54.000 -0.086 0.000 0.852 455 D CB -0.107 40.658 40.800 -0.058 0.000 0.947 455 D HN 0.320 nan 8.370 nan 0.000 0.494 456 D N -0.138 120.217 120.400 -0.075 0.000 2.349 456 D HA 0.034 4.677 4.640 0.005 0.000 0.215 456 D C 0.445 176.702 176.300 -0.071 0.000 1.016 456 D CA 0.036 54.005 54.000 -0.052 0.000 0.870 456 D CB 0.668 41.456 40.800 -0.020 0.000 0.917 456 D HN 0.222 nan 8.370 nan 0.000 0.524 457 L N 1.948 123.080 121.223 -0.151 0.000 2.325 457 L HA 0.100 4.443 4.340 0.005 0.000 0.284 457 L C 1.754 178.441 176.870 -0.304 0.000 1.089 457 L CA -0.076 54.602 54.840 -0.271 0.000 0.836 457 L CB 0.982 42.717 42.059 -0.540 0.000 1.184 457 L HN -0.081 nan 8.230 nan 0.000 0.444 458 T N -1.612 112.867 114.554 -0.124 0.000 3.129 458 T HA -0.042 4.311 4.350 0.005 0.000 0.251 458 T C 1.083 175.788 174.700 0.008 0.000 1.117 458 T CA -0.262 61.812 62.100 -0.044 0.000 1.034 458 T CB -0.053 68.835 68.868 0.033 0.000 0.968 458 T HN 0.786 nan 8.240 nan 0.000 0.526 459 W N 0.341 121.620 121.300 -0.035 0.000 3.239 459 W HA 0.599 5.261 4.660 0.005 0.000 0.348 459 W C -0.200 176.332 176.519 0.021 0.000 1.183 459 W CA -1.078 56.253 57.345 -0.022 0.000 1.819 459 W CB -0.589 28.835 29.460 -0.060 0.000 1.091 459 W HN 0.167 nan 8.180 nan 0.000 0.629 460 M N 1.863 121.265 119.600 -0.329 0.000 2.724 460 M HA 0.217 4.700 4.480 0.005 0.000 0.310 460 M C -0.637 175.594 176.300 -0.116 0.000 1.217 460 M CA -0.524 54.635 55.300 -0.234 0.000 0.894 460 M CB 2.190 34.493 32.600 -0.495 0.000 1.719 460 M HN -0.163 nan 8.290 nan 0.000 0.479 461 D N 0.118 120.483 120.400 -0.059 0.000 2.385 461 D HA 0.570 5.213 4.640 0.005 0.000 0.254 461 D C 0.499 176.762 176.300 -0.060 0.000 1.053 461 D CA -0.699 53.277 54.000 -0.040 0.000 0.992 461 D CB 0.928 41.731 40.800 0.004 0.000 1.145 461 D HN 0.575 nan 8.370 nan 0.000 0.523 462 A N 0.494 123.288 122.820 -0.043 0.000 1.908 462 A HA -0.246 4.077 4.320 0.005 0.000 0.218 462 A C 1.889 179.451 177.584 -0.037 0.000 1.181 462 A CA 1.716 53.726 52.037 -0.044 0.000 0.627 462 A CB -0.978 18.004 19.000 -0.030 0.000 0.818 462 A HN 0.762 nan 8.150 nan 0.000 0.445 463 E N -0.536 119.652 120.200 -0.021 0.000 2.085 463 E HA -0.186 4.167 4.350 0.005 0.000 0.194 463 E C 1.816 178.408 176.600 -0.012 0.000 0.994 463 E CA 1.797 58.192 56.400 -0.008 0.000 0.801 463 E CB -1.112 28.594 29.700 0.011 0.000 0.743 463 E HN 0.464 nan 8.360 nan 0.000 0.453 464 T N 1.407 115.939 114.554 -0.037 0.000 2.812 464 T HA -0.067 4.286 4.350 0.005 0.000 0.264 464 T C 1.825 176.481 174.700 -0.074 0.000 1.042 464 T CA 1.332 63.381 62.100 -0.085 0.000 1.140 464 T CB -0.078 68.660 68.868 -0.217 0.000 0.870 464 T HN 0.183 nan 8.240 nan 0.000 0.445 465 K N 1.062 121.406 120.400 -0.094 0.000 2.044 465 K HA -0.156 4.167 4.320 0.005 0.000 0.210 465 K C 2.407 178.983 176.600 -0.041 0.000 1.049 465 K CA 1.285 57.527 56.287 -0.074 0.000 0.927 465 K CB -0.149 32.290 32.500 -0.102 0.000 0.713 465 K HN 0.256 nan 8.250 nan 0.000 0.443 466 K N 1.268 121.641 120.400 -0.044 0.000 2.148 466 K HA -0.121 4.202 4.320 0.005 0.000 0.204 466 K C 1.944 178.503 176.600 -0.069 0.000 1.050 466 K CA 1.066 57.326 56.287 -0.044 0.000 0.942 466 K CB 0.092 32.570 32.500 -0.036 0.000 0.724 466 K HN 0.062 nan 8.250 nan 0.000 0.446 467 R N -0.014 120.436 120.500 -0.083 0.000 2.115 467 R HA -0.018 4.324 4.340 0.005 0.000 0.226 467 R C 2.364 178.423 176.300 -0.401 0.000 1.100 467 R CA 0.946 56.921 56.100 -0.209 0.000 0.980 467 R CB -0.185 30.051 30.300 -0.107 0.000 0.875 467 R HN 0.223 nan 8.270 nan 0.000 0.445 468 A N 1.358 124.069 122.820 -0.181 0.000 1.873 468 A HA -0.226 4.097 4.320 0.005 0.000 0.215 468 A C 2.034 179.674 177.584 0.093 0.000 1.186 468 A CA 1.506 53.558 52.037 0.024 0.000 0.616 468 A CB -0.449 18.722 19.000 0.285 0.000 0.823 468 A HN 0.399 nan 8.150 nan 0.000 0.442 469 E N 0.110 120.332 120.200 0.035 0.000 2.065 469 E HA -0.301 4.052 4.350 0.005 0.000 0.201 469 E C 1.838 178.441 176.600 0.005 0.000 1.016 469 E CA 1.912 58.336 56.400 0.040 0.000 0.818 469 E CB -0.272 29.429 29.700 0.001 0.000 0.749 469 E HN 0.718 nan 8.360 nan 0.000 0.453 470 E N 0.129 120.287 120.200 -0.071 0.000 2.130 470 E HA -0.228 4.125 4.350 0.005 0.000 0.196 470 E C 2.105 178.645 176.600 -0.100 0.000 0.998 470 E CA 1.194 57.535 56.400 -0.098 0.000 0.806 470 E CB -0.026 29.581 29.700 -0.154 0.000 0.738 470 E HN 0.173 nan 8.360 nan 0.000 0.459 471 K N 0.146 120.471 120.400 -0.126 0.000 2.044 471 K HA -0.073 4.250 4.320 0.005 0.000 0.204 471 K C 2.184 178.789 176.600 0.009 0.000 1.049 471 K CA 0.788 57.003 56.287 -0.119 0.000 0.945 471 K CB -0.098 32.270 32.500 -0.220 0.000 0.724 471 K HN 0.064 nan 8.250 nan 0.000 0.440 472 A N 2.024 124.936 122.820 0.153 0.000 1.863 472 A HA -0.249 4.074 4.320 0.005 0.000 0.218 472 A C 2.130 179.730 177.584 0.027 0.000 1.233 472 A CA 1.992 54.084 52.037 0.092 0.000 0.655 472 A CB -1.187 17.874 19.000 0.102 0.000 0.839 472 A HN 0.340 nan 8.150 nan 0.000 0.454 473 L N -1.197 120.041 121.223 0.025 0.000 2.189 473 L HA -0.237 4.106 4.340 0.005 0.000 0.214 473 L C 2.736 179.602 176.870 -0.007 0.000 1.097 473 L CA 1.086 55.932 54.840 0.009 0.000 0.764 473 L CB -0.440 41.621 42.059 0.003 0.000 0.900 473 L HN 0.510 nan 8.230 nan 0.000 0.436 474 A N -0.629 122.179 122.820 -0.020 0.000 2.218 474 A HA 0.201 4.524 4.320 0.005 0.000 0.209 474 A C 1.062 178.629 177.584 -0.029 0.000 1.168 474 A CA -0.261 51.757 52.037 -0.032 0.000 0.804 474 A CB -0.295 18.673 19.000 -0.052 0.000 0.834 474 A HN 0.229 nan 8.150 nan 0.000 0.482 475 I N 1.443 122.003 120.570 -0.015 0.000 2.683 475 I HA -0.028 4.145 4.170 0.005 0.000 0.286 475 I C 0.058 176.165 176.117 -0.016 0.000 1.175 475 I CA 0.504 61.803 61.300 -0.002 0.000 1.429 475 I CB 0.644 38.655 38.000 0.020 0.000 1.371 475 I HN 0.167 nan 8.210 nan 0.000 0.569 476 K N 7.422 127.795 120.400 -0.044 0.000 2.240 476 K HA 0.221 4.544 4.320 0.005 0.000 0.271 476 K C -0.226 176.313 176.600 -0.102 0.000 1.018 476 K CA -0.606 55.635 56.287 -0.076 0.000 0.874 476 K CB 1.213 33.648 32.500 -0.108 0.000 1.098 476 K HN 0.522 nan 8.250 nan 0.000 0.458 477 E N 4.757 124.910 120.200 -0.079 0.000 2.216 477 E HA 0.259 4.612 4.350 0.005 0.000 0.279 477 E C -0.679 175.803 176.600 -0.198 0.000 0.997 477 E CA -0.780 55.582 56.400 -0.064 0.000 0.817 477 E CB 1.263 30.993 29.700 0.050 0.000 1.096 477 E HN 0.299 nan 8.360 nan 0.000 0.393 478 R N 3.835 124.131 120.500 -0.341 0.000 2.480 478 R HA 0.536 4.878 4.340 0.005 0.000 0.306 478 R C -0.411 175.661 176.300 -0.381 0.000 0.958 478 R CA -0.753 54.898 56.100 -0.748 0.000 0.861 478 R CB 0.987 30.281 30.300 -1.677 0.000 1.171 478 R HN 0.596 nan 8.270 nan 0.000 0.445 479 I N 1.184 121.723 120.570 -0.051 0.000 2.418 479 I HA 0.383 4.556 4.170 0.005 0.000 0.287 479 I C 1.082 177.399 176.117 0.333 0.000 1.008 479 I CA -0.294 61.111 61.300 0.176 0.000 1.104 479 I CB 1.949 39.997 38.000 0.079 0.000 1.264 479 I HN 0.843 nan 8.210 nan 0.000 0.438 480 G N 5.968 114.928 108.800 0.267 0.000 5.426 480 G HA2 -0.308 3.655 3.960 0.005 0.000 0.297 480 G HA3 -0.308 3.655 3.960 0.005 0.000 0.297 480 G C -0.262 174.761 174.900 0.204 0.000 1.422 480 G CA 0.774 45.893 45.100 0.032 0.000 0.938 480 G HN 0.953 nan 8.290 nan 0.000 0.754 481 Y N -1.864 118.415 120.300 -0.035 0.000 2.713 481 Y HA 0.682 5.235 4.550 0.005 0.000 0.335 481 Y C -3.068 172.346 175.900 -0.811 0.000 1.222 481 Y CA -2.068 55.711 58.100 -0.534 0.000 1.061 481 Y CB 0.678 38.955 38.460 -0.306 0.000 1.314 481 Y HN 0.325 nan 8.280 nan 0.000 0.453 482 P HA 0.191 nan 4.420 nan 0.000 0.287 482 P C 0.004 177.151 177.300 -0.254 0.000 1.281 482 P CA 0.016 62.661 63.100 -0.759 0.000 0.781 482 P CB 1.253 32.386 31.700 -0.946 0.000 0.903 483 D N 1.819 122.102 120.400 -0.196 0.000 2.190 483 D HA -0.190 4.453 4.640 0.005 0.000 0.200 483 D C 0.749 177.077 176.300 0.047 0.000 0.992 483 D CA 1.457 55.441 54.000 -0.026 0.000 0.854 483 D CB 0.086 40.866 40.800 -0.033 0.000 0.936 483 D HN 0.405 nan 8.370 nan 0.000 0.462 484 D N 0.616 121.004 120.400 -0.018 0.000 2.149 484 D HA -0.141 4.502 4.640 0.005 0.000 0.198 484 D C 2.168 178.467 176.300 -0.001 0.000 0.990 484 D CA 0.439 54.432 54.000 -0.012 0.000 0.839 484 D CB -0.331 40.446 40.800 -0.039 0.000 0.948 484 D HN 0.487 nan 8.370 nan 0.000 0.460 485 I N -2.288 118.277 120.570 -0.008 0.000 3.001 485 I HA -0.106 4.067 4.170 0.005 0.000 0.268 485 I C 1.419 177.546 176.117 0.017 0.000 1.267 485 I CA 0.665 61.961 61.300 -0.007 0.000 1.472 485 I CB 0.077 38.057 38.000 -0.034 0.000 1.089 485 I HN -0.172 nan 8.210 nan 0.000 0.468 486 V N 1.200 121.144 119.914 0.050 0.000 2.672 486 V HA -0.034 4.089 4.120 0.005 0.000 0.242 486 V C 2.406 178.525 176.094 0.042 0.000 1.059 486 V CA 1.548 63.875 62.300 0.044 0.000 1.081 486 V CB 0.159 32.035 31.823 0.088 0.000 0.752 486 V HN 0.661 nan 8.190 nan 0.000 0.472 487 S N -0.720 115.009 115.700 0.048 0.000 2.540 487 S HA 0.165 4.638 4.470 0.005 0.000 0.218 487 S C 0.678 175.293 174.600 0.024 0.000 0.977 487 S CA -0.051 58.172 58.200 0.039 0.000 0.918 487 S CB -0.105 63.122 63.200 0.046 0.000 0.806 487 S HN 0.458 nan 8.310 nan 0.000 0.496 488 N N 1.421 120.131 118.700 0.018 0.000 2.762 488 N HA 0.249 4.992 4.740 0.005 0.000 0.252 488 N C -0.743 174.772 175.510 0.009 0.000 1.269 488 N CA -0.170 52.886 53.050 0.010 0.000 0.799 488 N CB 1.239 39.728 38.487 0.002 0.000 1.173 488 N HN -0.043 nan 8.380 nan 0.000 0.516 489 D N 1.342 121.750 120.400 0.013 0.000 2.104 489 D HA -0.145 4.497 4.640 0.005 0.000 0.194 489 D C 1.273 177.581 176.300 0.014 0.000 0.994 489 D CA 1.357 55.367 54.000 0.017 0.000 0.830 489 D CB 0.044 40.854 40.800 0.017 0.000 0.959 489 D HN 0.584 nan 8.370 nan 0.000 0.452 490 N N 0.336 119.040 118.700 0.007 0.000 2.037 490 N HA -0.200 4.542 4.740 0.005 0.000 0.196 490 N C 1.713 177.218 175.510 -0.007 0.000 1.034 490 N CA 1.217 54.269 53.050 0.002 0.000 0.861 490 N CB -0.008 38.479 38.487 -0.000 0.000 1.039 490 N HN 0.098 nan 8.380 nan 0.000 0.427 491 K N 0.933 121.324 120.400 -0.014 0.000 2.103 491 K HA -0.129 4.194 4.320 0.005 0.000 0.207 491 K C 2.005 178.573 176.600 -0.053 0.000 1.048 491 K CA 0.894 57.162 56.287 -0.033 0.000 0.930 491 K CB -0.097 32.385 32.500 -0.031 0.000 0.716 491 K HN 0.207 nan 8.250 nan 0.000 0.444 492 L N 0.938 122.146 121.223 -0.024 0.000 2.044 492 L HA -0.188 4.155 4.340 0.005 0.000 0.205 492 L C 1.858 178.740 176.870 0.019 0.000 1.075 492 L CA 1.290 56.126 54.840 -0.008 0.000 0.747 492 L CB -0.492 41.600 42.059 0.054 0.000 0.903 492 L HN 0.306 nan 8.230 nan 0.000 0.435 493 N N 0.579 119.310 118.700 0.053 0.000 2.137 493 N HA -0.208 4.535 4.740 0.005 0.000 0.190 493 N C 1.457 176.981 175.510 0.023 0.000 1.017 493 N CA 1.306 54.404 53.050 0.079 0.000 0.859 493 N CB -0.516 37.999 38.487 0.047 0.000 1.002 493 N HN 0.356 nan 8.380 nan 0.000 0.428 494 N N 0.966 119.646 118.700 -0.033 0.000 2.409 494 N HA -0.100 4.643 4.740 0.005 0.000 0.179 494 N C 1.454 176.907 175.510 -0.094 0.000 1.032 494 N CA 0.292 53.316 53.050 -0.043 0.000 0.898 494 N CB -0.108 38.359 38.487 -0.035 0.000 0.971 494 N HN 0.517 nan 8.380 nan 0.000 0.441 495 E N -0.570 119.490 120.200 -0.233 0.000 2.338 495 E HA -0.142 4.210 4.350 0.005 0.000 0.197 495 E C 0.214 176.544 176.600 -0.450 0.000 1.007 495 E CA 0.919 57.090 56.400 -0.381 0.000 0.849 495 E CB 0.108 29.437 29.700 -0.618 0.000 0.774 495 E HN 0.405 nan 8.360 nan 0.000 0.506 496 Y N -0.645 119.629 120.300 -0.045 0.000 2.500 496 Y HA 0.199 4.752 4.550 0.005 0.000 0.246 496 Y C 1.529 177.324 175.900 -0.176 0.000 1.146 496 Y CA -0.529 57.474 58.100 -0.162 0.000 1.230 496 Y CB 0.112 38.493 38.460 -0.132 0.000 1.214 496 Y HN 0.020 nan 8.280 nan 0.000 0.526 497 L N 0.527 121.755 121.223 0.009 0.000 2.064 497 L HA -0.326 4.017 4.340 0.005 0.000 0.216 497 L C 1.639 178.487 176.870 -0.037 0.000 1.077 497 L CA 2.205 57.042 54.840 -0.004 0.000 0.766 497 L CB -0.032 42.031 42.059 0.008 0.000 0.890 497 L HN 0.372 nan 8.230 nan 0.000 0.435 498 E N -0.932 119.247 120.200 -0.034 0.000 2.479 498 E HA 0.110 4.463 4.350 0.005 0.000 0.193 498 E C 0.090 176.612 176.600 -0.130 0.000 1.049 498 E CA -0.293 56.106 56.400 -0.002 0.000 0.870 498 E CB 0.296 30.113 29.700 0.195 0.000 0.944 498 E HN 0.387 nan 8.360 nan 0.000 0.492 499 L N 0.790 121.834 121.223 -0.298 0.000 2.334 499 L HA 0.389 4.732 4.340 0.005 0.000 0.275 499 L C -0.120 176.471 176.870 -0.465 0.000 1.036 499 L CA -0.515 54.048 54.840 -0.462 0.000 0.807 499 L CB 1.450 43.095 42.059 -0.691 0.000 1.231 499 L HN -0.050 nan 8.230 nan 0.000 0.438 500 N N 1.408 119.811 118.700 -0.494 0.000 2.519 500 N HA 0.283 5.026 4.740 0.005 0.000 0.291 500 N C -1.847 173.501 175.510 -0.270 0.000 1.107 500 N CA -0.507 52.328 53.050 -0.358 0.000 0.904 500 N CB 1.464 39.861 38.487 -0.150 0.000 1.500 500 N HN 0.317 nan 8.380 nan 0.000 0.510 501 Y N 1.624 121.923 120.300 -0.003 0.000 2.361 501 Y HA 0.398 4.951 4.550 0.005 0.000 0.332 501 Y C 0.264 176.180 175.900 0.027 0.000 1.101 501 Y CA -0.438 57.671 58.100 0.015 0.000 1.137 501 Y CB 1.223 39.696 38.460 0.022 0.000 1.207 501 Y HN 0.165 nan 8.280 nan 0.000 0.463 502 K N 2.045 122.571 120.400 0.211 0.000 2.182 502 K HA 0.282 4.605 4.320 0.005 0.000 0.262 502 K C 0.221 176.894 176.600 0.122 0.000 0.957 502 K CA -0.647 55.720 56.287 0.133 0.000 0.842 502 K CB 1.704 34.264 32.500 0.100 0.000 1.099 502 K HN 0.706 nan 8.250 nan 0.000 0.438 503 E N 1.279 121.535 120.200 0.093 0.000 2.427 503 E HA -0.130 4.223 4.350 0.005 0.000 0.196 503 E C 0.175 176.811 176.600 0.061 0.000 1.028 503 E CA 0.804 57.249 56.400 0.074 0.000 0.864 503 E CB 0.174 29.909 29.700 0.058 0.000 0.813 503 E HN 0.554 nan 8.360 nan 0.000 0.514 504 D N 0.058 120.497 120.400 0.065 0.000 2.501 504 D HA 0.026 4.669 4.640 0.005 0.000 0.226 504 D C 0.358 176.705 176.300 0.079 0.000 1.198 504 D CA 0.018 54.053 54.000 0.058 0.000 0.830 504 D CB 0.187 41.013 40.800 0.044 0.000 1.014 504 D HN -0.073 nan 8.370 nan 0.000 0.496 505 E N 0.110 120.374 120.200 0.107 0.000 4.230 505 E HA 0.014 4.367 4.350 0.005 0.000 0.216 505 E C -0.206 176.483 176.600 0.149 0.000 1.132 505 E CA -0.409 56.065 56.400 0.122 0.000 1.404 505 E CB 0.307 30.072 29.700 0.108 0.000 1.183 505 E HN 0.258 nan 8.360 nan 0.000 0.431 506 Y N 0.174 120.491 120.300 0.028 0.000 2.128 506 Y HA -0.308 4.245 4.550 0.005 0.000 0.284 506 Y C 1.810 177.711 175.900 0.002 0.000 1.154 506 Y CA 1.778 59.861 58.100 -0.028 0.000 1.149 506 Y CB 0.037 38.453 38.460 -0.073 0.000 0.976 506 Y HN 0.334 nan 8.280 nan 0.000 0.505 507 F N 1.299 121.160 119.950 -0.149 0.000 2.134 507 F HA -0.175 4.355 4.527 0.004 0.000 0.299 507 F C 1.981 177.680 175.800 -0.169 0.000 1.097 507 F CA 2.092 59.952 58.000 -0.233 0.000 1.264 507 F CB -0.254 38.680 39.000 -0.110 0.000 1.001 507 F HN 0.061 nan 8.300 nan 0.000 0.479 508 E N 0.259 120.547 120.200 0.146 0.000 2.153 508 E HA -0.189 4.164 4.350 0.005 0.000 0.194 508 E C 1.780 178.398 176.600 0.031 0.000 0.988 508 E CA 1.576 58.043 56.400 0.112 0.000 0.811 508 E CB -0.542 29.242 29.700 0.142 0.000 0.746 508 E HN 0.573 nan 8.360 nan 0.000 0.466 509 N N 0.367 119.058 118.700 -0.015 0.000 2.084 509 N HA -0.127 4.616 4.740 0.005 0.000 0.190 509 N C 2.006 177.470 175.510 -0.077 0.000 1.030 509 N CA 1.407 54.471 53.050 0.024 0.000 0.849 509 N CB -0.339 38.099 38.487 -0.082 0.000 1.012 509 N HN 0.271 nan 8.380 nan 0.000 0.423 510 I N -0.930 119.423 120.570 -0.362 0.000 2.252 510 I HA -0.155 4.018 4.170 0.005 0.000 0.245 510 I C 1.728 177.759 176.117 -0.144 0.000 1.102 510 I CA 1.071 62.179 61.300 -0.319 0.000 1.385 510 I CB -0.400 37.175 38.000 -0.707 0.000 1.064 510 I HN 0.002 nan 8.210 nan 0.000 0.414 511 I N 1.480 121.930 120.570 -0.201 0.000 2.226 511 I HA -0.268 3.905 4.170 0.005 0.000 0.245 511 I C 2.818 178.991 176.117 0.094 0.000 1.100 511 I CA 1.645 62.941 61.300 -0.007 0.000 1.374 511 I CB -1.440 36.589 38.000 0.047 0.000 1.057 511 I HN 0.512 nan 8.210 nan 0.000 0.413 512 Q N 0.834 120.690 119.800 0.092 0.000 2.096 512 Q HA -0.245 4.098 4.340 0.005 0.000 0.204 512 Q C 1.906 178.010 176.000 0.173 0.000 0.982 512 Q CA 1.827 57.708 55.803 0.129 0.000 0.850 512 Q CB 0.040 28.861 28.738 0.138 0.000 0.901 512 Q HN 0.456 nan 8.270 nan 0.000 0.422 513 N N 0.431 119.241 118.700 0.184 0.000 2.120 513 N HA -0.120 4.623 4.740 0.005 0.000 0.188 513 N C 1.851 177.481 175.510 0.199 0.000 1.024 513 N CA 0.965 54.140 53.050 0.209 0.000 0.852 513 N CB -0.311 38.285 38.487 0.181 0.000 1.003 513 N HN 0.276 nan 8.380 nan 0.000 0.424 514 L N 1.066 122.380 121.223 0.152 0.000 2.012 514 L HA -0.175 4.168 4.340 0.005 0.000 0.210 514 L C 2.154 179.078 176.870 0.090 0.000 1.073 514 L CA 1.372 56.292 54.840 0.133 0.000 0.748 514 L CB -0.305 41.865 42.059 0.185 0.000 0.891 514 L HN 0.172 nan 8.230 nan 0.000 0.431 515 K N -0.663 119.779 120.400 0.070 0.000 2.025 515 K HA -0.198 4.125 4.320 0.005 0.000 0.207 515 K C 2.045 178.673 176.600 0.047 0.000 1.049 515 K CA 1.505 57.785 56.287 -0.012 0.000 0.933 515 K CB -0.374 32.097 32.500 -0.049 0.000 0.714 515 K HN 0.073 nan 8.250 nan 0.000 0.438 516 F N 2.102 122.047 119.950 -0.008 0.000 2.069 516 F HA -0.283 4.247 4.527 0.005 0.000 0.298 516 F C 2.296 178.096 175.800 -0.001 0.000 1.113 516 F CA 1.649 59.649 58.000 0.001 0.000 1.214 516 F CB -0.271 38.746 39.000 0.028 0.000 0.978 516 F HN -0.109 nan 8.300 nan 0.000 0.474 517 S N -0.335 115.454 115.700 0.148 0.000 2.370 517 S HA -0.283 4.190 4.470 0.005 0.000 0.226 517 S C 1.821 176.374 174.600 -0.078 0.000 1.033 517 S CA 1.497 59.719 58.200 0.037 0.000 1.011 517 S CB -0.428 62.835 63.200 0.106 0.000 0.852 517 S HN 0.470 nan 8.310 nan 0.000 0.457 518 Q N 1.203 120.969 119.800 -0.056 0.000 2.049 518 Q HA 0.051 4.394 4.340 0.005 0.000 0.198 518 Q C 2.303 178.238 176.000 -0.107 0.000 0.971 518 Q CA 1.632 57.395 55.803 -0.065 0.000 0.833 518 Q CB -0.822 27.882 28.738 -0.055 0.000 0.896 518 Q HN 0.358 nan 8.270 nan 0.000 0.434 519 S N -0.163 115.449 115.700 -0.148 0.000 2.374 519 S HA -0.195 4.278 4.470 0.005 0.000 0.227 519 S C 1.758 176.230 174.600 -0.214 0.000 1.037 519 S CA 1.602 59.699 58.200 -0.172 0.000 1.024 519 S CB -0.275 62.814 63.200 -0.185 0.000 0.861 519 S HN 0.419 nan 8.310 nan 0.000 0.456 520 K N 0.242 120.447 120.400 -0.326 0.000 2.026 520 K HA -0.151 4.172 4.320 0.005 0.000 0.208 520 K C 2.306 178.811 176.600 -0.158 0.000 1.048 520 K CA 1.569 57.663 56.287 -0.321 0.000 0.929 520 K CB -0.308 31.909 32.500 -0.472 0.000 0.713 520 K HN 0.213 nan 8.250 nan 0.000 0.439 521 Q N 1.159 120.894 119.800 -0.108 0.000 2.084 521 Q HA -0.074 4.269 4.340 0.005 0.000 0.202 521 Q C 2.043 178.043 176.000 0.000 0.000 0.978 521 Q CA 1.525 57.313 55.803 -0.025 0.000 0.844 521 Q CB -0.275 28.459 28.738 -0.007 0.000 0.898 521 Q HN 0.394 nan 8.270 nan 0.000 0.426 522 L N 0.053 121.256 121.223 -0.034 0.000 2.201 522 L HA -0.114 4.229 4.340 0.005 0.000 0.212 522 L C 2.192 179.040 176.870 -0.037 0.000 1.105 522 L CA 1.160 55.984 54.840 -0.026 0.000 0.775 522 L CB -0.281 41.748 42.059 -0.049 0.000 0.913 522 L HN 0.139 nan 8.230 nan 0.000 0.440 523 K N 0.342 120.702 120.400 -0.066 0.000 2.442 523 K HA -0.105 4.218 4.320 0.005 0.000 0.198 523 K C 1.835 178.384 176.600 -0.086 0.000 1.042 523 K CA 0.898 57.136 56.287 -0.082 0.000 0.958 523 K CB 0.152 32.586 32.500 -0.109 0.000 0.766 523 K HN 0.114 nan 8.250 nan 0.000 0.474 524 K N 0.133 120.496 120.400 -0.062 0.000 2.365 524 K HA -0.050 4.273 4.320 0.005 0.000 0.197 524 K C 1.605 178.088 176.600 -0.195 0.000 1.042 524 K CA 0.249 56.437 56.287 -0.166 0.000 0.987 524 K CB -0.068 32.441 32.500 0.016 0.000 0.779 524 K HN 0.107 nan 8.250 nan 0.000 0.484 525 L N 1.855 123.061 121.223 -0.029 0.000 2.030 525 L HA -0.256 4.087 4.340 0.005 0.000 0.222 525 L C 1.730 178.583 176.870 -0.029 0.000 1.082 525 L CA 1.972 56.822 54.840 0.018 0.000 0.785 525 L CB -0.267 41.788 42.059 -0.007 0.000 0.895 525 L HN 0.102 nan 8.230 nan 0.000 0.439 526 R N -0.471 119.984 120.500 -0.076 0.000 2.334 526 R HA 0.205 4.548 4.340 0.005 0.000 0.216 526 R C 0.235 176.472 176.300 -0.105 0.000 0.905 526 R CA -0.093 55.966 56.100 -0.069 0.000 1.064 526 R CB -0.110 30.157 30.300 -0.055 0.000 1.046 526 R HN 0.388 nan 8.270 nan 0.000 0.508 527 E N 1.416 121.503 120.200 -0.189 0.000 2.280 527 E HA 0.247 4.600 4.350 0.005 0.000 0.264 527 E C -0.179 176.275 176.600 -0.245 0.000 1.064 527 E CA -0.446 55.831 56.400 -0.206 0.000 0.900 527 E CB 1.282 30.843 29.700 -0.231 0.000 1.123 527 E HN -0.111 nan 8.360 nan 0.000 0.418 528 K N 0.177 120.490 120.400 -0.146 0.000 2.202 528 K HA 0.227 4.550 4.320 0.005 0.000 0.264 528 K C -0.286 176.268 176.600 -0.077 0.000 1.010 528 K CA -0.522 55.718 56.287 -0.078 0.000 0.940 528 K CB 0.806 33.287 32.500 -0.031 0.000 0.983 528 K HN 0.152 nan 8.250 nan 0.000 0.475 529 V N 2.788 122.746 119.914 0.073 0.000 2.599 529 V HA -0.089 4.034 4.120 0.005 0.000 0.300 529 V C 0.374 176.503 176.094 0.059 0.000 1.034 529 V CA 0.135 62.537 62.300 0.169 0.000 1.115 529 V CB 0.540 32.479 31.823 0.193 0.000 0.934 529 V HN 0.711 nan 8.190 nan 0.000 0.485 530 D N 4.759 125.187 120.400 0.047 0.000 2.358 530 D HA 0.070 4.713 4.640 0.005 0.000 0.258 530 D C 1.037 177.349 176.300 0.020 0.000 1.223 530 D CA -0.152 53.861 54.000 0.022 0.000 0.886 530 D CB 0.987 41.798 40.800 0.018 0.000 1.120 530 D HN 0.601 nan 8.370 nan 0.000 0.482 531 K N 2.172 122.579 120.400 0.012 0.000 2.486 531 K HA -0.004 4.319 4.320 0.005 0.000 0.194 531 K C 0.364 176.969 176.600 0.008 0.000 1.033 531 K CA 0.254 56.541 56.287 -0.001 0.000 1.004 531 K CB 0.717 33.214 32.500 -0.005 0.000 0.798 531 K HN 0.206 nan 8.250 nan 0.000 0.495 532 D N 1.460 121.881 120.400 0.036 0.000 2.367 532 D HA -0.001 4.642 4.640 0.005 0.000 0.207 532 D C -0.047 176.346 176.300 0.155 0.000 1.034 532 D CA 0.241 54.291 54.000 0.083 0.000 0.861 532 D CB 0.239 41.084 40.800 0.074 0.000 0.943 532 D HN 0.226 nan 8.370 nan 0.000 0.515 533 E N 0.225 120.487 120.200 0.103 0.000 2.414 533 E HA -0.003 4.350 4.350 0.005 0.000 0.263 533 E C -0.452 176.270 176.600 0.202 0.000 1.000 533 E CA -0.285 56.194 56.400 0.132 0.000 0.914 533 E CB 0.604 30.337 29.700 0.055 0.000 0.948 533 E HN -0.039 nan 8.360 nan 0.000 0.444 534 W N 3.851 125.111 121.300 -0.067 0.000 2.313 534 W HA 0.208 4.870 4.660 0.005 0.000 0.328 534 W C 1.088 177.532 176.519 -0.125 0.000 1.197 534 W CA -0.565 56.728 57.345 -0.086 0.000 1.235 534 W CB 0.368 29.790 29.460 -0.062 0.000 1.158 534 W HN 0.510 nan 8.180 nan 0.000 0.578 535 I N -0.230 120.336 120.570 -0.006 0.000 3.883 535 I HA 0.227 4.400 4.170 0.005 0.000 0.326 535 I C 0.515 176.462 176.117 -0.284 0.000 1.283 535 I CA 0.165 61.365 61.300 -0.167 0.000 1.161 535 I CB 0.009 37.852 38.000 -0.261 0.000 1.012 535 I HN 0.153 nan 8.210 nan 0.000 0.421 536 S N 0.686 116.319 115.700 -0.111 0.000 2.540 536 S HA 0.692 5.165 4.470 0.005 0.000 0.275 536 S C 0.205 174.846 174.600 0.069 0.000 1.123 536 S CA -0.312 57.811 58.200 -0.129 0.000 0.907 536 S CB 1.360 64.486 63.200 -0.124 0.000 1.081 536 S HN 0.406 nan 8.310 nan 0.000 0.476 537 G N 1.601 110.409 108.800 0.015 0.000 2.720 537 G HA2 0.416 4.379 3.960 0.005 0.000 0.237 537 G HA3 0.416 4.379 3.960 0.005 0.000 0.237 537 G C 1.049 175.982 174.900 0.054 0.000 1.239 537 G CA 0.099 45.212 45.100 0.020 0.000 0.847 537 G HN 1.218 nan 8.290 nan 0.000 0.593 538 A N 0.541 123.370 122.820 0.015 0.000 2.132 538 A HA 0.494 4.817 4.320 0.005 0.000 0.213 538 A C 2.008 179.556 177.584 -0.060 0.000 1.154 538 A CA 1.334 53.388 52.037 0.029 0.000 0.753 538 A CB 0.089 19.102 19.000 0.021 0.000 0.826 538 A HN 1.421 nan 8.150 nan 0.000 0.469 539 A N 0.287 123.015 122.820 -0.153 0.000 2.988 539 A HA 0.547 4.869 4.320 0.005 0.000 0.288 539 A C -0.247 177.141 177.584 -0.327 0.000 1.385 539 A CA -0.076 51.688 52.037 -0.455 0.000 1.001 539 A CB -0.533 18.252 19.000 -0.359 0.000 1.071 539 A HN 0.203 nan 8.150 nan 0.000 0.608 540 V N 0.197 120.007 119.914 -0.173 0.000 2.588 540 V HA 0.201 4.324 4.120 0.005 0.000 0.304 540 V C -0.160 175.914 176.094 -0.034 0.000 1.042 540 V CA -0.563 61.717 62.300 -0.034 0.000 0.877 540 V CB 2.062 33.958 31.823 0.120 0.000 0.996 540 V HN 0.118 nan 8.190 nan 0.000 0.425 541 V N 5.277 125.168 119.914 -0.038 0.000 2.223 541 V HA 0.465 4.587 4.120 0.005 0.000 0.249 541 V C 0.154 176.265 176.094 0.029 0.000 1.233 541 V CA 0.225 62.448 62.300 -0.128 0.000 1.131 541 V CB -0.749 30.899 31.823 -0.292 0.000 1.298 541 V HN 0.909 nan 8.190 nan 0.000 0.498 542 N N 1.748 120.448 118.700 -0.000 0.000 3.533 542 N HA 0.717 5.460 4.740 0.005 0.000 0.229 542 N C -1.230 174.130 175.510 -0.249 0.000 1.418 542 N CA 0.148 53.168 53.050 -0.050 0.000 0.880 542 N CB 2.165 40.564 38.487 -0.147 0.000 1.415 542 N HN 0.505 nan 8.380 nan 0.000 0.491 543 A N 0.251 122.765 122.820 -0.509 0.000 2.530 543 A HA 0.912 5.235 4.320 0.005 0.000 0.288 543 A C -1.845 175.258 177.584 -0.801 0.000 1.172 543 A CA -0.320 51.430 52.037 -0.477 0.000 0.733 543 A CB 1.110 20.003 19.000 -0.179 0.000 1.320 543 A HN 0.348 nan 8.150 nan 0.000 0.419 544 F N -1.195 118.662 119.950 -0.156 0.000 2.641 544 F HA 0.552 5.082 4.527 0.005 0.000 0.308 544 F C -1.050 174.705 175.800 -0.076 0.000 1.105 544 F CA -0.319 57.627 58.000 -0.089 0.000 0.964 544 F CB 2.026 40.948 39.000 -0.129 0.000 1.294 544 F HN 0.637 nan 8.300 nan 0.000 0.442 545 Y N 1.014 121.335 120.300 0.036 0.000 2.391 545 Y HA 0.655 5.208 4.550 0.005 0.000 0.341 545 Y C -0.917 174.914 175.900 -0.114 0.000 0.965 545 Y CA -0.841 57.221 58.100 -0.063 0.000 1.067 545 Y CB 2.047 40.491 38.460 -0.027 0.000 1.199 545 Y HN 0.489 nan 8.280 nan 0.000 0.450 546 S N 3.152 118.285 115.700 -0.945 0.000 2.456 546 S HA 0.317 4.790 4.470 0.005 0.000 0.316 546 S C 0.632 174.484 174.600 -1.247 0.000 1.089 546 S CA 0.024 57.722 58.200 -0.836 0.000 1.101 546 S CB 0.650 63.541 63.200 -0.514 0.000 0.995 546 S HN 0.874 nan 8.310 nan 0.000 0.468 547 S N 4.300 119.463 115.700 -0.896 0.000 2.357 547 S HA 0.017 4.490 4.470 0.005 0.000 0.221 547 S C 2.115 176.310 174.600 -0.675 0.000 1.031 547 S CA 0.940 58.694 58.200 -0.743 0.000 0.982 547 S CB -1.223 61.430 63.200 -0.911 0.000 0.853 547 S HN 0.844 nan 8.310 nan 0.000 0.458 548 G N 1.553 109.982 108.800 -0.619 0.000 2.475 548 G HA2 -0.186 3.777 3.960 0.005 0.000 0.220 548 G HA3 -0.186 3.777 3.960 0.005 0.000 0.220 548 G C 1.693 176.459 174.900 -0.224 0.000 1.125 548 G CA 0.713 45.614 45.100 -0.332 0.000 0.755 548 G HN 0.555 nan 8.290 nan 0.000 0.565 549 R N -1.010 119.310 120.500 -0.301 0.000 2.373 549 R HA 0.175 4.518 4.340 0.005 0.000 0.221 549 R C 0.678 176.840 176.300 -0.231 0.000 0.893 549 R CA 0.085 56.048 56.100 -0.230 0.000 1.049 549 R CB 0.080 30.233 30.300 -0.244 0.000 1.119 549 R HN 0.388 nan 8.270 nan 0.000 0.535 550 N N 2.173 120.685 118.700 -0.314 0.000 2.688 550 N HA -0.237 4.506 4.740 0.005 0.000 0.258 550 N C -0.981 174.423 175.510 -0.178 0.000 1.016 550 N CA 0.359 53.277 53.050 -0.219 0.000 0.747 550 N CB -0.233 38.211 38.487 -0.072 0.000 0.895 550 N HN 0.343 nan 8.380 nan 0.000 0.543 551 Q N 1.851 121.449 119.800 -0.336 0.000 2.305 551 Q HA 0.517 4.860 4.340 0.005 0.000 0.271 551 Q C -0.602 175.286 176.000 -0.187 0.000 1.046 551 Q CA -0.929 54.735 55.803 -0.231 0.000 0.798 551 Q CB 1.427 29.997 28.738 -0.281 0.000 1.286 551 Q HN 0.434 nan 8.270 nan 0.000 0.435 552 I N 0.383 120.894 120.570 -0.097 0.000 2.498 552 I HA 0.782 4.955 4.170 0.005 0.000 0.301 552 I C -0.961 174.905 176.117 -0.418 0.000 0.984 552 I CA -1.051 60.146 61.300 -0.171 0.000 1.204 552 I CB 1.810 39.792 38.000 -0.030 0.000 1.362 552 I HN 0.301 nan 8.210 nan 0.000 0.471 553 V N 5.509 125.031 119.914 -0.653 0.000 2.686 553 V HA 0.463 4.586 4.120 0.005 0.000 0.306 553 V C -1.077 174.559 176.094 -0.763 0.000 1.065 553 V CA -0.354 61.606 62.300 -0.567 0.000 0.894 553 V CB 1.808 33.465 31.823 -0.276 0.000 1.004 553 V HN 0.615 nan 8.190 nan 0.000 0.424 554 F N 4.619 124.559 119.950 -0.016 0.000 2.676 554 F HA 0.502 5.032 4.527 0.005 0.000 0.371 554 F C -2.499 173.326 175.800 0.041 0.000 1.141 554 F CA -2.311 55.687 58.000 -0.004 0.000 1.133 554 F CB 1.398 40.361 39.000 -0.062 0.000 1.376 554 F HN 0.288 nan 8.300 nan 0.000 0.491 555 P HA 0.050 nan 4.420 nan 0.000 0.269 555 P C 0.761 178.083 177.300 0.037 0.000 1.215 555 P CA 0.192 63.393 63.100 0.169 0.000 0.780 555 P CB 1.003 32.795 31.700 0.154 0.000 0.898 556 A N 3.157 125.912 122.820 -0.109 0.000 1.997 556 A HA -0.207 4.116 4.320 0.005 0.000 0.221 556 A C 2.331 179.939 177.584 0.039 0.000 1.172 556 A CA 2.448 54.266 52.037 -0.365 0.000 0.645 556 A CB -1.915 16.708 19.000 -0.628 0.000 0.813 556 A HN 0.668 nan 8.150 nan 0.000 0.454 557 G N -0.746 108.092 108.800 0.063 0.000 2.432 557 G HA2 -0.155 3.808 3.960 0.005 0.000 0.219 557 G HA3 -0.155 3.808 3.960 0.005 0.000 0.219 557 G C 1.469 176.377 174.900 0.012 0.000 1.135 557 G CA 1.020 46.148 45.100 0.048 0.000 0.767 557 G HN 0.551 nan 8.290 nan 0.000 0.550 558 I N 0.405 120.944 120.570 -0.052 0.000 3.419 558 I HA 0.245 4.418 4.170 0.005 0.000 0.286 558 I C 0.608 176.715 176.117 -0.017 0.000 1.268 558 I CA -0.030 61.161 61.300 -0.182 0.000 1.414 558 I CB 0.188 37.970 38.000 -0.362 0.000 1.074 558 I HN -0.041 nan 8.210 nan 0.000 0.457 559 L N 3.323 124.619 121.223 0.121 0.000 2.437 559 L HA 0.165 4.508 4.340 0.005 0.000 0.243 559 L C -0.230 176.896 176.870 0.427 0.000 1.346 559 L CA 0.106 55.108 54.840 0.270 0.000 1.233 559 L CB -0.848 41.402 42.059 0.317 0.000 1.436 559 L HN 0.382 nan 8.230 nan 0.000 0.416 560 Q N 0.204 120.222 119.800 0.363 0.000 2.633 560 Q HA 0.538 4.881 4.340 0.005 0.000 0.289 560 Q C -3.023 173.109 176.000 0.221 0.000 0.940 560 Q CA -2.133 53.832 55.803 0.271 0.000 0.785 560 Q CB 1.556 30.420 28.738 0.211 0.000 1.467 560 Q HN -0.135 nan 8.270 nan 0.000 0.401 561 P HA 0.085 nan 4.420 nan 0.000 0.268 561 P C -2.032 175.216 177.300 -0.087 0.000 1.205 561 P CA -0.831 62.256 63.100 -0.022 0.000 0.771 561 P CB 0.249 31.915 31.700 -0.058 0.000 0.858 562 P HA 0.083 nan 4.420 nan 0.000 0.261 562 P C 0.748 177.859 177.300 -0.315 0.000 1.268 562 P CA 0.434 63.341 63.100 -0.322 0.000 0.833 562 P CB 0.014 31.461 31.700 -0.422 0.000 1.231 563 F N -0.250 119.663 119.950 -0.062 0.000 2.113 563 F HA 0.099 4.629 4.527 0.005 0.000 0.297 563 F C 1.244 177.095 175.800 0.086 0.000 1.103 563 F CA 1.059 59.051 58.000 -0.014 0.000 1.248 563 F CB -0.454 38.540 39.000 -0.010 0.000 0.999 563 F HN -0.152 nan 8.300 nan 0.000 0.475 564 F N -0.291 119.731 119.950 0.120 0.000 2.574 564 F HA 0.584 5.114 4.527 0.005 0.000 0.313 564 F C -0.642 175.175 175.800 0.027 0.000 1.130 564 F CA -1.230 56.797 58.000 0.045 0.000 0.936 564 F CB 1.717 40.750 39.000 0.055 0.000 1.219 564 F HN -0.307 nan 8.300 nan 0.000 0.445 565 S N 3.443 118.594 115.700 -0.916 0.000 2.533 565 S HA 0.648 5.121 4.470 0.005 0.000 0.271 565 S C 0.333 174.293 174.600 -1.067 0.000 1.143 565 S CA 0.005 57.589 58.200 -1.027 0.000 0.891 565 S CB 1.549 64.508 63.200 -0.402 0.000 1.105 565 S HN 1.170 nan 8.310 nan 0.000 0.468 566 A N 2.847 125.147 122.820 -0.867 0.000 2.076 566 A HA -0.086 4.237 4.320 0.005 0.000 0.220 566 A C 1.575 179.035 177.584 -0.207 0.000 1.160 566 A CA 1.738 53.564 52.037 -0.350 0.000 0.653 566 A CB -0.408 18.529 19.000 -0.106 0.000 0.801 566 A HN 0.752 nan 8.150 nan 0.000 0.455 567 Q N -0.900 118.769 119.800 -0.218 0.000 2.317 567 Q HA 0.112 4.455 4.340 0.005 0.000 0.220 567 Q C 0.966 176.904 176.000 -0.104 0.000 0.873 567 Q CA 0.457 56.189 55.803 -0.118 0.000 0.936 567 Q CB 0.310 28.992 28.738 -0.093 0.000 1.105 567 Q HN 0.924 nan 8.270 nan 0.000 0.520 568 Q N -0.565 119.143 119.800 -0.154 0.000 2.249 568 Q HA 0.450 4.793 4.340 0.005 0.000 0.226 568 Q C -0.530 175.417 176.000 -0.088 0.000 0.983 568 Q CA -0.554 55.184 55.803 -0.109 0.000 0.930 568 Q CB 0.873 29.532 28.738 -0.132 0.000 1.193 568 Q HN -0.121 nan 8.270 nan 0.000 0.508 569 S N 1.645 117.309 115.700 -0.059 0.000 2.562 569 S HA 0.020 4.493 4.470 0.005 0.000 0.281 569 S C 0.803 175.332 174.600 -0.118 0.000 1.333 569 S CA -0.591 57.565 58.200 -0.073 0.000 1.052 569 S CB 0.440 63.584 63.200 -0.093 0.000 0.884 569 S HN 0.635 nan 8.310 nan 0.000 0.506 570 N N 2.359 121.005 118.700 -0.090 0.000 2.223 570 N HA -0.139 4.604 4.740 0.005 0.000 0.185 570 N C 2.150 177.573 175.510 -0.146 0.000 1.016 570 N CA 1.391 54.410 53.050 -0.052 0.000 0.863 570 N CB -0.650 37.753 38.487 -0.140 0.000 0.983 570 N HN 0.767 nan 8.380 nan 0.000 0.429 571 S N 1.624 117.062 115.700 -0.435 0.000 2.381 571 S HA -0.164 4.309 4.470 0.005 0.000 0.230 571 S C 2.088 176.507 174.600 -0.302 0.000 1.052 571 S CA 1.062 58.822 58.200 -0.735 0.000 1.068 571 S CB -0.839 62.074 63.200 -0.479 0.000 0.918 571 S HN 0.289 nan 8.310 nan 0.000 0.448 572 L N 1.168 122.280 121.223 -0.184 0.000 2.131 572 L HA -0.008 4.335 4.340 0.005 0.000 0.206 572 L C 2.749 179.564 176.870 -0.091 0.000 1.087 572 L CA 1.092 55.864 54.840 -0.115 0.000 0.767 572 L CB -0.767 41.239 42.059 -0.089 0.000 0.917 572 L HN 0.324 nan 8.230 nan 0.000 0.441 573 N N -0.281 118.380 118.700 -0.065 0.000 2.106 573 N HA -0.173 4.570 4.740 0.005 0.000 0.188 573 N C 1.874 177.356 175.510 -0.045 0.000 1.029 573 N CA 1.411 54.447 53.050 -0.024 0.000 0.848 573 N CB -0.323 38.144 38.487 -0.034 0.000 1.007 573 N HN 0.279 nan 8.380 nan 0.000 0.423 574 Y N 0.853 121.126 120.300 -0.045 0.000 2.181 574 Y HA -0.064 4.489 4.550 0.005 0.000 0.288 574 Y C 2.552 178.451 175.900 -0.002 0.000 1.146 574 Y CA 1.422 59.563 58.100 0.069 0.000 1.164 574 Y CB -0.695 37.861 38.460 0.160 0.000 0.982 574 Y HN 0.104 nan 8.280 nan 0.000 0.515 575 G N -1.005 107.681 108.800 -0.189 0.000 2.598 575 G HA2 0.029 3.992 3.960 0.005 0.000 0.215 575 G HA3 0.029 3.992 3.960 0.005 0.000 0.215 575 G C 1.536 176.316 174.900 -0.200 0.000 1.131 575 G CA 0.813 45.451 45.100 -0.770 0.000 0.785 575 G HN 0.519 nan 8.290 nan 0.000 0.539 576 G N 0.713 109.482 108.800 -0.051 0.000 2.606 576 G HA2 0.197 4.160 3.960 0.005 0.000 0.213 576 G HA3 0.197 4.160 3.960 0.005 0.000 0.213 576 G C 1.327 176.376 174.900 0.248 0.000 2.020 576 G CA 0.410 45.557 45.100 0.079 0.000 0.814 576 G HN 0.136 nan 8.290 nan 0.000 0.685 577 I N 2.037 122.746 120.570 0.232 0.000 2.493 577 I HA 0.069 4.242 4.170 0.005 0.000 0.254 577 I C 2.634 178.758 176.117 0.012 0.000 1.160 577 I CA 1.499 62.872 61.300 0.122 0.000 1.445 577 I CB -0.544 37.480 38.000 0.039 0.000 1.086 577 I HN 0.223 nan 8.210 nan 0.000 0.433 578 G N 1.076 109.882 108.800 0.010 0.000 2.476 578 G HA2 -0.346 3.617 3.960 0.005 0.000 0.218 578 G HA3 -0.346 3.617 3.960 0.005 0.000 0.218 578 G C 1.577 176.569 174.900 0.153 0.000 1.164 578 G CA 1.396 46.517 45.100 0.035 0.000 0.768 578 G HN 0.555 nan 8.290 nan 0.000 0.560 579 M N 0.194 119.916 119.600 0.203 0.000 2.447 579 M HA 0.283 4.765 4.480 0.005 0.000 0.264 579 M C 2.012 178.498 176.300 0.311 0.000 1.095 579 M CA 1.078 56.542 55.300 0.274 0.000 1.125 579 M CB -0.221 32.552 32.600 0.290 0.000 1.389 579 M HN -0.071 nan 8.290 nan 0.000 0.459 580 V N 0.911 120.982 119.914 0.263 0.000 2.427 580 V HA -0.207 3.916 4.120 0.005 0.000 0.248 580 V C 2.525 178.828 176.094 0.349 0.000 1.051 580 V CA 1.892 64.348 62.300 0.261 0.000 1.048 580 V CB -0.778 31.129 31.823 0.139 0.000 0.666 580 V HN 0.601 nan 8.190 nan 0.000 0.456 581 I N 0.703 121.402 120.570 0.215 0.000 2.252 581 I HA -0.136 4.037 4.170 0.005 0.000 0.245 581 I C 2.599 178.880 176.117 0.273 0.000 1.102 581 I CA 1.687 63.114 61.300 0.212 0.000 1.385 581 I CB -0.948 36.993 38.000 -0.099 0.000 1.064 581 I HN 0.408 nan 8.210 nan 0.000 0.414 582 G N -0.259 108.682 108.800 0.234 0.000 2.402 582 G HA2 -0.321 3.642 3.960 0.005 0.000 0.216 582 G HA3 -0.321 3.642 3.960 0.005 0.000 0.216 582 G C 1.438 176.464 174.900 0.210 0.000 1.162 582 G CA 1.161 46.392 45.100 0.217 0.000 0.777 582 G HN 0.416 nan 8.290 nan 0.000 0.539 583 H N 0.799 119.973 119.070 0.174 0.000 2.265 583 H HA -0.126 4.433 4.556 0.005 0.000 0.293 583 H C 2.507 177.871 175.328 0.060 0.000 1.089 583 H CA 2.312 58.430 56.048 0.116 0.000 1.244 583 H CB 0.157 30.041 29.762 0.204 0.000 1.355 583 H HN 0.251 nan 8.280 nan 0.000 0.485 584 E N 0.194 120.599 120.200 0.341 0.000 2.106 584 E HA -0.113 4.240 4.350 0.005 0.000 0.192 584 E C 2.633 179.267 176.600 0.058 0.000 0.984 584 E CA 1.043 57.623 56.400 0.300 0.000 0.806 584 E CB -0.120 29.737 29.700 0.261 0.000 0.750 584 E HN 0.635 nan 8.360 nan 0.000 0.458 585 I N 1.002 121.594 120.570 0.036 0.000 2.252 585 I HA -0.191 3.982 4.170 0.005 0.000 0.245 585 I C 2.025 178.018 176.117 -0.206 0.000 1.102 585 I CA 1.132 62.363 61.300 -0.114 0.000 1.385 585 I CB -0.313 37.627 38.000 -0.099 0.000 1.064 585 I HN 0.027 nan 8.210 nan 0.000 0.414 586 T N -0.822 113.644 114.554 -0.146 0.000 3.007 586 T HA -0.151 4.202 4.350 0.005 0.000 0.270 586 T C 1.744 176.369 174.700 -0.124 0.000 1.107 586 T CA 0.878 62.920 62.100 -0.098 0.000 1.118 586 T CB -0.368 68.475 68.868 -0.041 0.000 0.889 586 T HN 0.313 nan 8.240 nan 0.000 0.506 587 H N 0.704 119.599 119.070 -0.291 0.000 2.491 587 H HA 0.056 4.615 4.556 0.005 0.000 0.290 587 H C 2.522 177.486 175.328 -0.608 0.000 1.050 587 H CA 1.030 56.862 56.048 -0.359 0.000 1.309 587 H CB -0.527 29.044 29.762 -0.320 0.000 1.392 587 H HN 0.452 nan 8.280 nan 0.000 0.554 588 G N -0.823 107.408 108.800 -0.949 0.000 2.509 588 G HA2 -0.156 3.807 3.960 0.005 0.000 0.218 588 G HA3 -0.156 3.807 3.960 0.005 0.000 0.218 588 G C 0.536 174.958 174.900 -0.798 0.000 1.124 588 G CA 0.270 44.715 45.100 -1.092 0.000 0.776 588 G HN 0.301 nan 8.290 nan 0.000 0.547 589 F N 0.701 120.636 119.950 -0.026 0.000 2.815 589 F HA 0.260 4.790 4.527 0.005 0.000 0.335 589 F C 0.324 176.447 175.800 0.538 0.000 1.179 589 F CA -1.224 56.955 58.000 0.298 0.000 1.204 589 F CB 0.337 39.371 39.000 0.057 0.000 1.050 589 F HN 0.023 nan 8.300 nan 0.000 0.510 590 D N -0.938 119.731 120.400 0.448 0.000 2.539 590 D HA 0.043 4.686 4.640 0.005 0.000 0.280 590 D C 1.135 177.595 176.300 0.268 0.000 1.208 590 D CA -0.308 53.996 54.000 0.507 0.000 1.088 590 D CB 0.263 41.263 40.800 0.333 0.000 1.149 590 D HN 0.035 nan 8.370 nan 0.000 0.596 591 D N -1.418 119.147 120.400 0.275 0.000 2.310 591 D HA -0.194 4.449 4.640 0.005 0.000 0.212 591 D C 0.986 177.296 176.300 0.017 0.000 0.965 591 D CA 0.664 54.741 54.000 0.129 0.000 0.879 591 D CB -0.367 40.529 40.800 0.160 0.000 0.921 591 D HN 0.482 nan 8.370 nan 0.000 0.510 592 N N 0.650 119.407 118.700 0.095 0.000 2.333 592 N HA -0.041 4.702 4.740 0.005 0.000 0.183 592 N C 1.877 177.530 175.510 0.238 0.000 1.030 592 N CA 1.038 54.171 53.050 0.138 0.000 0.867 592 N CB -0.018 38.556 38.487 0.145 0.000 1.027 592 N HN 0.209 nan 8.380 nan 0.000 0.435 593 G N 1.129 110.071 108.800 0.236 0.000 2.985 593 G HA2 -0.078 3.885 3.960 0.005 0.000 0.209 593 G HA3 -0.078 3.885 3.960 0.005 0.000 0.209 593 G C 1.518 176.583 174.900 0.275 0.000 1.165 593 G CA -0.142 45.140 45.100 0.304 0.000 0.776 593 G HN 0.495 nan 8.290 nan 0.000 0.541 594 R N -0.259 120.353 120.500 0.187 0.000 2.236 594 R HA 0.146 4.489 4.340 0.005 0.000 0.208 594 R C 1.271 177.652 176.300 0.134 0.000 1.036 594 R CA 0.601 56.843 56.100 0.238 0.000 1.001 594 R CB -0.272 29.918 30.300 -0.184 0.000 0.896 594 R HN 0.079 nan 8.270 nan 0.000 0.464 595 N N 0.093 118.821 118.700 0.047 0.000 2.467 595 N HA 0.032 4.775 4.740 0.005 0.000 0.184 595 N C -0.716 174.721 175.510 -0.121 0.000 1.106 595 N CA 0.569 53.534 53.050 -0.141 0.000 0.892 595 N CB 0.181 38.505 38.487 -0.271 0.000 0.969 595 N HN 0.118 nan 8.380 nan 0.000 0.454 596 F N 0.943 121.046 119.950 0.255 0.000 2.492 596 F HA 0.288 4.817 4.527 0.005 0.000 0.327 596 F C 0.961 176.973 175.800 0.354 0.000 1.079 596 F CA -1.208 56.938 58.000 0.242 0.000 0.967 596 F CB 1.206 40.283 39.000 0.129 0.000 1.169 596 F HN -0.081 nan 8.300 nan 0.000 0.472 597 N N 1.387 120.305 118.700 0.364 0.000 2.566 597 N HA 0.245 4.988 4.740 0.005 0.000 0.299 597 N C 0.596 176.094 175.510 -0.020 0.000 1.277 597 N CA -0.796 52.296 53.050 0.069 0.000 0.965 597 N CB 0.913 39.422 38.487 0.036 0.000 1.142 597 N HN 0.700 nan 8.380 nan 0.000 0.596 598 K N -1.090 119.227 120.400 -0.138 0.000 2.442 598 K HA -0.098 4.224 4.320 0.005 0.000 0.198 598 K C -0.217 176.354 176.600 -0.050 0.000 1.044 598 K CA 1.384 57.602 56.287 -0.114 0.000 0.948 598 K CB -0.039 32.381 32.500 -0.132 0.000 0.762 598 K HN 0.460 nan 8.250 nan 0.000 0.472 599 D N 0.067 120.458 120.400 -0.014 0.000 2.433 599 D HA 0.103 4.746 4.640 0.005 0.000 0.211 599 D C 0.713 177.027 176.300 0.024 0.000 1.114 599 D CA 0.687 54.686 54.000 -0.001 0.000 0.837 599 D CB 1.034 41.837 40.800 0.004 0.000 0.984 599 D HN 0.466 nan 8.370 nan 0.000 0.505 600 G N 1.523 110.361 108.800 0.065 0.000 2.143 600 G HA2 -0.208 3.755 3.960 0.005 0.000 0.249 600 G HA3 -0.208 3.755 3.960 0.005 0.000 0.249 600 G C -0.296 174.776 174.900 0.286 0.000 0.981 600 G CA -0.242 44.920 45.100 0.103 0.000 0.665 600 G HN 0.173 nan 8.290 nan 0.000 0.528 601 D N 0.153 120.699 120.400 0.244 0.000 2.225 601 D HA 0.305 4.948 4.640 0.005 0.000 0.248 601 D C 0.853 177.214 176.300 0.102 0.000 1.096 601 D CA -0.497 53.613 54.000 0.184 0.000 0.863 601 D CB 1.348 42.192 40.800 0.073 0.000 1.156 601 D HN 0.139 nan 8.370 nan 0.000 0.450 602 L N 3.455 124.582 121.223 -0.159 0.000 2.699 602 L HA 0.072 4.415 4.340 0.005 0.000 0.283 602 L C -0.430 176.266 176.870 -0.289 0.000 1.166 602 L CA 0.292 54.783 54.840 -0.583 0.000 1.043 602 L CB -0.194 41.455 42.059 -0.685 0.000 1.369 602 L HN 0.078 nan 8.230 nan 0.000 0.462 603 V N 3.834 123.673 119.914 -0.126 0.000 2.932 603 V HA 0.350 4.473 4.120 0.005 0.000 0.307 603 V C -0.826 175.318 176.094 0.084 0.000 1.147 603 V CA -0.937 61.351 62.300 -0.020 0.000 0.951 603 V CB 2.417 34.265 31.823 0.041 0.000 1.031 603 V HN 0.542 nan 8.190 nan 0.000 0.426 604 D N 6.740 127.162 120.400 0.036 0.000 2.339 604 D HA 0.205 4.848 4.640 0.005 0.000 0.256 604 D C 0.518 176.923 176.300 0.175 0.000 1.214 604 D CA -0.255 53.765 54.000 0.034 0.000 0.877 604 D CB 0.625 41.422 40.800 -0.005 0.000 1.111 604 D HN 0.773 nan 8.370 nan 0.000 0.478 605 W N 3.094 124.509 121.300 0.192 0.000 2.846 605 W HA 0.274 4.937 4.660 0.005 0.000 0.391 605 W C -0.953 175.596 176.519 0.050 0.000 1.011 605 W CA -0.900 56.502 57.345 0.095 0.000 1.832 605 W CB -0.969 28.512 29.460 0.034 0.000 1.151 605 W HN 0.186 nan 8.180 nan 0.000 0.582 606 W N 3.410 124.578 121.300 -0.220 0.000 2.438 606 W HA 0.398 5.061 4.660 0.005 0.000 0.324 606 W C 1.069 177.564 176.519 -0.039 0.000 1.119 606 W CA -0.367 56.874 57.345 -0.174 0.000 1.221 606 W CB 0.972 30.228 29.460 -0.340 0.000 1.253 606 W HN -0.216 nan 8.180 nan 0.000 0.555 607 T N -0.643 114.024 114.554 0.189 0.000 2.856 607 T HA 0.024 4.377 4.350 0.005 0.000 0.306 607 T C 0.912 175.712 174.700 0.167 0.000 1.062 607 T CA -0.253 61.935 62.100 0.147 0.000 1.083 607 T CB 1.009 69.943 68.868 0.110 0.000 0.984 607 T HN 0.490 nan 8.240 nan 0.000 0.542 608 Q N 0.184 120.049 119.800 0.108 0.000 2.096 608 Q HA -0.145 4.198 4.340 0.005 0.000 0.204 608 Q C 2.456 178.517 176.000 0.101 0.000 0.982 608 Q CA 1.857 57.710 55.803 0.083 0.000 0.850 608 Q CB -0.357 28.414 28.738 0.054 0.000 0.901 608 Q HN 0.808 nan 8.270 nan 0.000 0.422 609 Q N -0.585 119.283 119.800 0.113 0.000 2.046 609 Q HA -0.061 4.282 4.340 0.005 0.000 0.200 609 Q C 2.060 178.175 176.000 0.191 0.000 0.975 609 Q CA 2.010 57.885 55.803 0.120 0.000 0.836 609 Q CB -0.386 28.413 28.738 0.101 0.000 0.896 609 Q HN 0.279 nan 8.270 nan 0.000 0.428 610 S N 0.043 115.902 115.700 0.266 0.000 2.383 610 S HA -0.090 4.382 4.470 0.005 0.000 0.227 610 S C 1.865 176.798 174.600 0.555 0.000 1.026 610 S CA 0.892 59.366 58.200 0.457 0.000 0.981 610 S CB -0.501 62.977 63.200 0.464 0.000 0.818 610 S HN 0.570 nan 8.310 nan 0.000 0.472 611 A N 1.075 124.116 122.820 0.369 0.000 1.902 611 A HA -0.097 4.226 4.320 0.005 0.000 0.217 611 A C 2.297 179.896 177.584 0.026 0.000 1.181 611 A CA 1.978 54.030 52.037 0.025 0.000 0.623 611 A CB -1.024 17.937 19.000 -0.065 0.000 0.818 611 A HN 0.511 nan 8.150 nan 0.000 0.443 612 S N 0.031 115.772 115.700 0.069 0.000 2.383 612 S HA -0.171 4.302 4.470 0.005 0.000 0.227 612 S C 1.868 176.485 174.600 0.028 0.000 1.026 612 S CA 1.530 59.748 58.200 0.030 0.000 0.981 612 S CB -0.587 62.633 63.200 0.034 0.000 0.818 612 S HN 0.589 nan 8.310 nan 0.000 0.472 613 N N 0.895 119.659 118.700 0.107 0.000 2.120 613 N HA -0.046 4.697 4.740 0.005 0.000 0.188 613 N C 1.346 176.783 175.510 -0.122 0.000 1.024 613 N CA 1.352 54.449 53.050 0.078 0.000 0.852 613 N CB -0.886 37.790 38.487 0.315 0.000 1.003 613 N HN 0.529 nan 8.380 nan 0.000 0.424 614 F N 2.266 122.115 119.950 -0.168 0.000 2.091 614 F HA -0.205 4.325 4.527 0.005 0.000 0.299 614 F C 1.983 177.530 175.800 -0.421 0.000 1.103 614 F CA 1.607 59.339 58.000 -0.447 0.000 1.228 614 F CB -0.015 38.740 39.000 -0.407 0.000 0.984 614 F HN -0.033 nan 8.300 nan 0.000 0.477 615 K N -0.111 120.245 120.400 -0.074 0.000 2.063 615 K HA -0.223 4.100 4.320 0.005 0.000 0.208 615 K C 2.089 178.531 176.600 -0.264 0.000 1.048 615 K CA 1.831 58.035 56.287 -0.139 0.000 0.928 615 K CB -0.445 32.008 32.500 -0.079 0.000 0.713 615 K HN 0.416 nan 8.250 nan 0.000 0.442 616 E N 0.610 120.662 120.200 -0.246 0.000 2.051 616 E HA -0.189 4.164 4.350 0.005 0.000 0.192 616 E C 2.274 178.657 176.600 -0.363 0.000 0.991 616 E CA 1.057 57.308 56.400 -0.248 0.000 0.799 616 E CB 0.199 29.796 29.700 -0.172 0.000 0.748 616 E HN 0.239 nan 8.360 nan 0.000 0.449 617 Q N -0.157 119.308 119.800 -0.557 0.000 2.079 617 Q HA -0.114 4.229 4.340 0.005 0.000 0.200 617 Q C 2.369 178.006 176.000 -0.605 0.000 0.974 617 Q CA 1.625 57.023 55.803 -0.676 0.000 0.840 617 Q CB -0.318 27.718 28.738 -1.170 0.000 0.898 617 Q HN 0.268 nan 8.270 nan 0.000 0.430 618 S N 0.069 115.351 115.700 -0.698 0.000 2.428 618 S HA -0.154 4.319 4.470 0.005 0.000 0.230 618 S C 1.943 176.308 174.600 -0.391 0.000 1.014 618 S CA 1.030 58.889 58.200 -0.570 0.000 0.957 618 S CB -0.102 62.705 63.200 -0.655 0.000 0.784 618 S HN 0.165 nan 8.310 nan 0.000 0.499 619 Q N 1.076 120.647 119.800 -0.383 0.000 2.181 619 Q HA -0.110 4.233 4.340 0.005 0.000 0.205 619 Q C 2.243 177.993 176.000 -0.416 0.000 0.980 619 Q CA 1.717 57.268 55.803 -0.420 0.000 0.862 619 Q CB -1.318 27.182 28.738 -0.397 0.000 0.905 619 Q HN 0.692 nan 8.270 nan 0.000 0.429 620 c N -0.551 117.889 118.600 -0.268 0.000 2.413 620 c HA -0.124 4.449 4.570 0.005 0.000 0.276 620 c C 2.423 176.457 174.090 -0.094 0.000 1.248 620 c CA 1.274 57.523 56.329 -0.134 0.000 1.742 620 c CB -0.844 41.584 42.510 -0.138 0.000 2.017 620 c HN 0.693 nan 8.230 nan 0.000 0.481 621 M N -0.281 119.244 119.600 -0.125 0.000 2.254 621 M HA -0.074 4.409 4.480 0.005 0.000 0.265 621 M C 2.064 178.357 176.300 -0.012 0.000 1.066 621 M CA 1.213 56.508 55.300 -0.008 0.000 1.123 621 M CB -0.290 32.264 32.600 -0.077 0.000 1.388 621 M HN 0.290 nan 8.290 nan 0.000 0.425 622 V N -0.339 119.478 119.914 -0.162 0.000 2.282 622 V HA -0.302 3.821 4.120 0.005 0.000 0.249 622 V C 2.137 178.190 176.094 -0.068 0.000 1.057 622 V CA 1.941 64.136 62.300 -0.175 0.000 1.032 622 V CB -0.904 30.725 31.823 -0.324 0.000 0.645 622 V HN 0.342 nan 8.190 nan 0.000 0.447 623 Y N 0.216 120.464 120.300 -0.087 0.000 2.184 623 Y HA -0.169 4.384 4.550 0.005 0.000 0.290 623 Y C 2.678 178.465 175.900 -0.189 0.000 1.129 623 Y CA 1.271 59.302 58.100 -0.116 0.000 1.144 623 Y CB -1.043 37.348 38.460 -0.114 0.000 0.995 623 Y HN 0.311 nan 8.280 nan 0.000 0.513 624 Q N -0.673 119.107 119.800 -0.034 0.000 2.014 624 Q HA -0.267 4.076 4.340 0.005 0.000 0.207 624 Q C 1.938 177.549 176.000 -0.648 0.000 0.993 624 Q CA 2.389 58.003 55.803 -0.315 0.000 0.850 624 Q CB -0.520 28.079 28.738 -0.233 0.000 0.916 624 Q HN 0.487 nan 8.270 nan 0.000 0.417 625 Y N -0.372 119.665 120.300 -0.437 0.000 2.263 625 Y HA 0.032 4.585 4.550 0.005 0.000 0.292 625 Y C 2.399 178.097 175.900 -0.336 0.000 1.130 625 Y CA 1.150 59.012 58.100 -0.397 0.000 1.179 625 Y CB -0.666 37.737 38.460 -0.095 0.000 0.998 625 Y HN 0.325 nan 8.280 nan 0.000 0.532 626 G N -0.442 108.332 108.800 -0.045 0.000 2.527 626 G HA2 -0.239 3.724 3.960 0.005 0.000 0.219 626 G HA3 -0.239 3.724 3.960 0.005 0.000 0.219 626 G C 1.494 176.356 174.900 -0.063 0.000 1.117 626 G CA 0.979 46.074 45.100 -0.008 0.000 0.759 626 G HN 0.354 nan 8.290 nan 0.000 0.556 627 N N -0.532 118.007 118.700 -0.269 0.000 2.282 627 N HA 0.085 4.828 4.740 0.005 0.000 0.185 627 N C -0.361 174.869 175.510 -0.467 0.000 1.099 627 N CA -0.240 52.619 53.050 -0.319 0.000 0.878 627 N CB 0.301 38.600 38.487 -0.314 0.000 0.993 627 N HN 0.084 nan 8.380 nan 0.000 0.481 628 F N 2.135 121.825 119.950 -0.433 0.000 2.578 628 F HA 0.034 4.564 4.527 0.005 0.000 0.381 628 F C 1.367 176.783 175.800 -0.640 0.000 1.069 628 F CA -0.845 56.765 58.000 -0.651 0.000 1.231 628 F CB 0.226 38.462 39.000 -1.274 0.000 1.086 628 F HN -0.161 nan 8.300 nan 0.000 0.564 629 S N 3.723 119.249 115.700 -0.290 0.000 2.537 629 S HA 0.561 5.034 4.470 0.005 0.000 0.301 629 S C -1.448 173.289 174.600 0.229 0.000 1.092 629 S CA -0.776 57.367 58.200 -0.094 0.000 1.048 629 S CB 1.477 64.608 63.200 -0.115 0.000 1.053 629 S HN 0.573 nan 8.310 nan 0.000 0.501 630 W N 4.374 125.725 121.300 0.086 0.000 2.362 630 W HA 0.350 5.013 4.660 0.005 0.000 0.316 630 W C 0.231 176.804 176.519 0.090 0.000 1.024 630 W CA -1.645 55.793 57.345 0.155 0.000 1.270 630 W CB 0.936 30.462 29.460 0.109 0.000 1.273 630 W HN 0.973 nan 8.180 nan 0.000 0.424 631 D N 2.932 123.521 120.400 0.315 0.000 2.133 631 D HA -0.289 4.354 4.640 0.005 0.000 0.195 631 D C 1.743 177.966 176.300 -0.129 0.000 0.997 631 D CA 1.626 55.676 54.000 0.083 0.000 0.840 631 D CB -0.575 40.287 40.800 0.103 0.000 0.947 631 D HN 0.506 nan 8.370 nan 0.000 0.452 632 L N -0.314 120.676 121.223 -0.389 0.000 2.362 632 L HA 0.054 4.397 4.340 0.005 0.000 0.219 632 L C 1.863 178.351 176.870 -0.638 0.000 1.134 632 L CA 0.896 55.411 54.840 -0.541 0.000 0.807 632 L CB -0.306 41.342 42.059 -0.685 0.000 0.927 632 L HN 0.111 nan 8.230 nan 0.000 0.447 633 A N -0.318 122.098 122.820 -0.674 0.000 2.708 633 A HA 0.480 4.803 4.320 0.005 0.000 0.293 633 A C 1.364 178.838 177.584 -0.184 0.000 1.303 633 A CA 0.316 52.115 52.037 -0.397 0.000 0.949 633 A CB -0.372 18.437 19.000 -0.319 0.000 1.121 633 A HN 0.394 nan 8.150 nan 0.000 0.542 634 G N -1.194 107.516 108.800 -0.150 0.000 2.273 634 G HA2 0.114 4.077 3.960 0.005 0.000 0.280 634 G HA3 0.114 4.077 3.960 0.005 0.000 0.280 634 G C 1.471 176.363 174.900 -0.014 0.000 1.047 634 G CA 0.880 45.930 45.100 -0.082 0.000 0.869 634 G HN 2.173 nan 8.290 nan 0.000 0.502 635 G N -1.734 107.094 108.800 0.046 0.000 2.234 635 G HA2 -0.306 3.656 3.960 0.005 0.000 0.260 635 G HA3 -0.306 3.656 3.960 0.005 0.000 0.260 635 G C 0.536 175.567 174.900 0.218 0.000 0.987 635 G CA 1.081 46.260 45.100 0.130 0.000 0.625 635 G HN 1.200 nan 8.290 nan 0.000 0.532 636 Q N 0.559 120.447 119.800 0.146 0.000 2.369 636 Q HA 0.226 4.569 4.340 0.005 0.000 0.295 636 Q C 0.214 176.432 176.000 0.363 0.000 1.075 636 Q CA 0.267 56.169 55.803 0.165 0.000 0.941 636 Q CB 0.235 29.013 28.738 0.066 0.000 1.260 636 Q HN 0.600 nan 8.270 nan 0.000 0.417 637 H N 1.103 120.205 119.070 0.052 0.000 2.482 637 H HA 0.268 4.827 4.556 0.005 0.000 0.344 637 H C -0.139 175.207 175.328 0.031 0.000 1.151 637 H CA -0.693 55.374 56.048 0.031 0.000 1.300 637 H CB 0.392 30.155 29.762 0.002 0.000 1.494 637 H HN 0.452 nan 8.280 nan 0.000 0.542 638 L N 1.652 122.930 121.223 0.092 0.000 2.506 638 L HA -0.021 4.322 4.340 0.005 0.000 0.281 638 L C 1.192 178.101 176.870 0.064 0.000 1.228 638 L CA 0.059 54.925 54.840 0.043 0.000 0.850 638 L CB 0.158 42.195 42.059 -0.037 0.000 1.110 638 L HN 0.554 nan 8.230 nan 0.000 0.496 639 N N 1.700 120.429 118.700 0.048 0.000 2.399 639 N HA 0.031 4.774 4.740 0.005 0.000 0.259 639 N C 0.812 176.324 175.510 0.003 0.000 1.160 639 N CA 0.255 53.324 53.050 0.031 0.000 0.946 639 N CB 1.632 40.134 38.487 0.025 0.000 1.156 639 N HN 0.779 nan 8.380 nan 0.000 0.489 640 G N 3.641 112.443 108.800 0.004 0.000 2.484 640 G HA2 -0.091 3.872 3.960 0.005 0.000 0.218 640 G HA3 -0.091 3.872 3.960 0.005 0.000 0.218 640 G C 1.532 176.389 174.900 -0.072 0.000 1.130 640 G CA 0.310 45.397 45.100 -0.023 0.000 0.784 640 G HN 0.643 nan 8.290 nan 0.000 0.543 641 I N 0.746 121.281 120.570 -0.058 0.000 2.339 641 I HA -0.047 4.126 4.170 0.005 0.000 0.245 641 I C 2.135 178.217 176.117 -0.059 0.000 1.096 641 I CA 0.497 61.757 61.300 -0.067 0.000 1.408 641 I CB -0.056 37.913 38.000 -0.052 0.000 1.092 641 I HN -0.017 nan 8.210 nan 0.000 0.423 642 N N 0.329 119.003 118.700 -0.043 0.000 2.453 642 N HA -0.114 4.629 4.740 0.005 0.000 0.183 642 N C 1.622 177.095 175.510 -0.061 0.000 1.041 642 N CA 1.715 54.741 53.050 -0.040 0.000 0.900 642 N CB -0.430 38.045 38.487 -0.020 0.000 0.961 642 N HN 0.453 nan 8.380 nan 0.000 0.443 643 T N -2.367 112.137 114.554 -0.083 0.000 3.086 643 T HA 0.145 4.498 4.350 0.005 0.000 0.250 643 T C 1.708 176.313 174.700 -0.159 0.000 1.074 643 T CA -0.288 61.740 62.100 -0.120 0.000 0.988 643 T CB -0.067 68.720 68.868 -0.134 0.000 0.988 643 T HN -0.033 nan 8.240 nan 0.000 0.530 644 L N 2.696 123.840 121.223 -0.132 0.000 1.989 644 L HA 0.170 4.513 4.340 0.005 0.000 0.211 644 L C 2.503 179.316 176.870 -0.095 0.000 1.071 644 L CA 2.338 57.090 54.840 -0.147 0.000 0.749 644 L CB -1.279 40.719 42.059 -0.101 0.000 0.890 644 L HN 0.326 nan 8.230 nan 0.000 0.431 645 G N -1.125 107.664 108.800 -0.017 0.000 2.446 645 G HA2 -0.240 3.722 3.960 0.005 0.000 0.217 645 G HA3 -0.240 3.722 3.960 0.005 0.000 0.217 645 G C 1.438 176.358 174.900 0.034 0.000 1.168 645 G CA 0.755 45.896 45.100 0.069 0.000 0.771 645 G HN 0.481 nan 8.290 nan 0.000 0.551 646 E N 1.012 121.232 120.200 0.033 0.000 2.107 646 E HA -0.074 4.279 4.350 0.005 0.000 0.191 646 E C 2.472 179.080 176.600 0.013 0.000 0.982 646 E CA 0.557 57.010 56.400 0.087 0.000 0.809 646 E CB -0.283 29.466 29.700 0.082 0.000 0.756 646 E HN 0.327 nan 8.360 nan 0.000 0.459 647 N N 1.075 119.691 118.700 -0.139 0.000 2.120 647 N HA -0.109 4.634 4.740 0.005 0.000 0.188 647 N C 2.096 177.542 175.510 -0.107 0.000 1.024 647 N CA 0.743 53.634 53.050 -0.264 0.000 0.852 647 N CB -0.300 37.721 38.487 -0.778 0.000 1.003 647 N HN 0.205 nan 8.380 nan 0.000 0.424 648 I N 1.226 121.746 120.570 -0.083 0.000 2.179 648 I HA -0.232 3.941 4.170 0.005 0.000 0.242 648 I C 2.308 178.454 176.117 0.049 0.000 1.088 648 I CA 0.980 62.292 61.300 0.022 0.000 1.357 648 I CB -0.271 37.784 38.000 0.091 0.000 1.051 648 I HN 0.059 nan 8.210 nan 0.000 0.409 649 A N 0.333 123.065 122.820 -0.147 0.000 1.940 649 A HA -0.266 4.057 4.320 0.005 0.000 0.219 649 A C 1.958 179.536 177.584 -0.010 0.000 1.176 649 A CA 2.236 54.041 52.037 -0.387 0.000 0.631 649 A CB -0.595 17.564 19.000 -1.402 0.000 0.814 649 A HN 0.360 nan 8.150 nan 0.000 0.446 650 D N -0.194 120.320 120.400 0.189 0.000 2.091 650 D HA -0.100 4.543 4.640 0.005 0.000 0.199 650 D C 1.813 178.294 176.300 0.301 0.000 0.980 650 D CA 1.056 55.292 54.000 0.393 0.000 0.831 650 D CB -0.456 40.572 40.800 0.379 0.000 0.987 650 D HN 0.443 nan 8.370 nan 0.000 0.460 651 N N 0.435 119.271 118.700 0.227 0.000 2.166 651 N HA -0.096 4.647 4.740 0.005 0.000 0.186 651 N C 1.902 177.539 175.510 0.212 0.000 1.019 651 N CA 1.156 54.324 53.050 0.198 0.000 0.856 651 N CB -0.102 38.483 38.487 0.163 0.000 0.993 651 N HN 0.176 nan 8.380 nan 0.000 0.426 652 G N 0.536 109.483 108.800 0.244 0.000 2.404 652 G HA2 -0.136 3.826 3.960 0.005 0.000 0.215 652 G HA3 -0.136 3.826 3.960 0.005 0.000 0.215 652 G C 1.564 176.628 174.900 0.273 0.000 1.174 652 G CA 0.965 46.250 45.100 0.308 0.000 0.780 652 G HN 0.378 nan 8.290 nan 0.000 0.537 653 G N 0.722 109.674 108.800 0.252 0.000 2.418 653 G HA2 -0.119 3.843 3.960 0.005 0.000 0.217 653 G HA3 -0.119 3.843 3.960 0.005 0.000 0.217 653 G C 1.746 176.810 174.900 0.274 0.000 1.158 653 G CA 1.007 46.271 45.100 0.273 0.000 0.771 653 G HN 0.377 nan 8.290 nan 0.000 0.545 654 L N 1.478 122.839 121.223 0.231 0.000 1.994 654 L HA 0.129 4.472 4.340 0.005 0.000 0.208 654 L C 2.888 179.919 176.870 0.268 0.000 1.071 654 L CA 2.433 57.363 54.840 0.150 0.000 0.745 654 L CB -1.021 40.984 42.059 -0.090 0.000 0.892 654 L HN 0.176 nan 8.230 nan 0.000 0.431 655 G N -1.636 107.308 108.800 0.240 0.000 2.440 655 G HA2 -0.324 3.639 3.960 0.005 0.000 0.218 655 G HA3 -0.324 3.639 3.960 0.005 0.000 0.218 655 G C 1.485 176.551 174.900 0.275 0.000 1.154 655 G CA 0.943 46.196 45.100 0.255 0.000 0.767 655 G HN 0.514 nan 8.290 nan 0.000 0.552 656 Q N 0.108 120.069 119.800 0.269 0.000 2.050 656 Q HA 0.060 4.403 4.340 0.005 0.000 0.202 656 Q C 2.995 179.161 176.000 0.277 0.000 0.980 656 Q CA 1.622 57.578 55.803 0.254 0.000 0.840 656 Q CB -0.289 28.608 28.738 0.265 0.000 0.898 656 Q HN 0.475 nan 8.270 nan 0.000 0.424 657 A N -0.285 122.743 122.820 0.346 0.000 1.898 657 A HA -0.214 4.109 4.320 0.005 0.000 0.216 657 A C 1.898 179.737 177.584 0.426 0.000 1.181 657 A CA 1.308 53.613 52.037 0.446 0.000 0.620 657 A CB -0.945 18.349 19.000 0.491 0.000 0.819 657 A HN 0.514 nan 8.150 nan 0.000 0.442 658 Y N 0.580 120.996 120.300 0.193 0.000 2.151 658 Y HA -0.251 4.302 4.550 0.005 0.000 0.284 658 Y C 2.535 178.335 175.900 -0.167 0.000 1.166 658 Y CA 2.197 60.080 58.100 -0.361 0.000 1.163 658 Y CB -0.303 37.950 38.460 -0.345 0.000 0.974 658 Y HN 0.260 nan 8.280 nan 0.000 0.511 659 R N -0.555 119.968 120.500 0.038 0.000 2.096 659 R HA -0.136 4.207 4.340 0.005 0.000 0.235 659 R C 2.494 178.748 176.300 -0.077 0.000 1.127 659 R CA 1.113 57.194 56.100 -0.031 0.000 0.968 659 R CB -0.551 29.795 30.300 0.077 0.000 0.861 659 R HN 0.424 nan 8.270 nan 0.000 0.440 660 A N 0.036 122.875 122.820 0.033 0.000 1.930 660 A HA -0.205 4.118 4.320 0.005 0.000 0.217 660 A C 1.905 179.367 177.584 -0.205 0.000 1.175 660 A CA 1.058 53.139 52.037 0.074 0.000 0.627 660 A CB -0.607 18.598 19.000 0.341 0.000 0.815 660 A HN 0.421 nan 8.150 nan 0.000 0.443 661 Y N 0.562 120.488 120.300 -0.624 0.000 2.200 661 Y HA -0.196 4.357 4.550 0.005 0.000 0.290 661 Y C 2.479 178.059 175.900 -0.533 0.000 1.137 661 Y CA 1.958 59.477 58.100 -0.969 0.000 1.163 661 Y CB -0.621 37.336 38.460 -0.838 0.000 0.988 661 Y HN 0.451 nan 8.280 nan 0.000 0.518 662 Q N -0.169 119.269 119.800 -0.603 0.000 2.030 662 Q HA -0.246 4.097 4.340 0.005 0.000 0.204 662 Q C 1.965 177.757 176.000 -0.346 0.000 0.986 662 Q CA 1.715 57.203 55.803 -0.524 0.000 0.843 662 Q CB -0.281 28.189 28.738 -0.447 0.000 0.904 662 Q HN 0.481 nan 8.270 nan 0.000 0.420 663 N N 0.024 118.585 118.700 -0.232 0.000 2.104 663 N HA -0.205 4.538 4.740 0.005 0.000 0.190 663 N C 1.465 176.894 175.510 -0.134 0.000 1.024 663 N CA 1.241 54.210 53.050 -0.135 0.000 0.853 663 N CB -0.527 37.931 38.487 -0.048 0.000 1.008 663 N HN 0.366 nan 8.380 nan 0.000 0.424 664 Y N 1.349 121.476 120.300 -0.287 0.000 2.145 664 Y HA -0.085 4.468 4.550 0.005 0.000 0.286 664 Y C 2.206 177.948 175.900 -0.264 0.000 1.145 664 Y CA 1.357 59.320 58.100 -0.228 0.000 1.148 664 Y CB -0.352 37.946 38.460 -0.270 0.000 0.981 664 Y HN -0.030 nan 8.280 nan 0.000 0.507 665 I N 0.377 120.702 120.570 -0.408 0.000 2.163 665 I HA -0.356 3.817 4.170 0.005 0.000 0.243 665 I C 2.572 178.497 176.117 -0.320 0.000 1.085 665 I CA 1.693 62.744 61.300 -0.416 0.000 1.347 665 I CB -0.504 37.233 38.000 -0.437 0.000 1.044 665 I HN 0.214 nan 8.210 nan 0.000 0.408 666 K N 0.887 121.130 120.400 -0.261 0.000 2.052 666 K HA -0.314 4.009 4.320 0.005 0.000 0.215 666 K C 2.228 178.716 176.600 -0.186 0.000 1.053 666 K CA 2.198 58.373 56.287 -0.186 0.000 0.934 666 K CB -0.160 32.252 32.500 -0.147 0.000 0.717 666 K HN 0.188 nan 8.250 nan 0.000 0.450 667 K N -0.402 119.867 120.400 -0.218 0.000 2.116 667 K HA -0.063 4.260 4.320 0.005 0.000 0.203 667 K C 1.270 177.731 176.600 -0.232 0.000 1.052 667 K CA 1.278 57.453 56.287 -0.187 0.000 0.952 667 K CB 0.227 32.634 32.500 -0.156 0.000 0.729 667 K HN 0.131 nan 8.250 nan 0.000 0.446 668 N N -0.510 117.963 118.700 -0.378 0.000 2.257 668 N HA 0.112 4.855 4.740 0.005 0.000 0.200 668 N C 0.027 175.360 175.510 -0.294 0.000 1.163 668 N CA 0.867 53.670 53.050 -0.412 0.000 0.891 668 N CB 1.551 39.535 38.487 -0.839 0.000 1.067 668 N HN 0.327 nan 8.380 nan 0.000 0.497 669 G N 1.621 110.258 108.800 -0.270 0.000 2.707 669 G HA2 -0.181 3.782 3.960 0.005 0.000 0.686 669 G HA3 -0.181 3.782 3.960 0.005 0.000 0.686 669 G C -0.864 173.964 174.900 -0.119 0.000 1.315 669 G CA -0.572 44.434 45.100 -0.157 0.000 0.832 669 G HN 0.247 nan 8.290 nan 0.000 0.573 670 E N -0.028 120.151 120.200 -0.035 0.000 2.280 670 E HA 0.611 4.964 4.350 0.005 0.000 0.264 670 E C 0.439 177.129 176.600 0.150 0.000 1.064 670 E CA -0.414 56.017 56.400 0.053 0.000 0.900 670 E CB 0.681 30.405 29.700 0.040 0.000 1.123 670 E HN 0.517 nan 8.360 nan 0.000 0.418 671 E N 1.621 122.013 120.200 0.320 0.000 2.242 671 E HA 0.206 4.559 4.350 0.005 0.000 0.275 671 E C -0.422 176.347 176.600 0.281 0.000 1.002 671 E CA -0.868 55.759 56.400 0.379 0.000 0.841 671 E CB 1.050 31.062 29.700 0.521 0.000 1.109 671 E HN 0.308 nan 8.360 nan 0.000 0.394 672 K N 1.960 122.487 120.400 0.212 0.000 2.527 672 K HA -0.002 4.321 4.320 0.005 0.000 0.278 672 K C 0.157 176.828 176.600 0.117 0.000 0.981 672 K CA 0.294 56.659 56.287 0.129 0.000 1.009 672 K CB 0.294 32.859 32.500 0.109 0.000 0.895 672 K HN 0.355 nan 8.250 nan 0.000 0.493 673 L N 3.219 124.429 121.223 -0.023 0.000 2.466 673 L HA 0.237 4.579 4.340 0.005 0.000 0.257 673 L C 0.603 177.481 176.870 0.013 0.000 1.189 673 L CA -0.548 54.219 54.840 -0.122 0.000 0.813 673 L CB 0.137 42.132 42.059 -0.107 0.000 1.118 673 L HN 0.333 nan 8.230 nan 0.000 0.471 674 L N 2.305 123.548 121.223 0.033 0.000 2.307 674 L HA 0.406 4.749 4.340 0.005 0.000 0.282 674 L C -2.055 174.841 176.870 0.043 0.000 1.051 674 L CA -1.925 52.957 54.840 0.070 0.000 0.804 674 L CB 1.297 43.420 42.059 0.108 0.000 1.197 674 L HN 0.349 nan 8.230 nan 0.000 0.431 675 P HA 0.122 nan 4.420 nan 0.000 0.271 675 P C 0.635 177.953 177.300 0.031 0.000 1.218 675 P CA 0.334 63.452 63.100 0.030 0.000 0.780 675 P CB 1.351 33.066 31.700 0.025 0.000 0.901 676 G N 1.517 110.334 108.800 0.028 0.000 2.241 676 G HA2 -0.208 3.755 3.960 0.005 0.000 0.244 676 G HA3 -0.208 3.755 3.960 0.005 0.000 0.244 676 G C -0.237 174.685 174.900 0.037 0.000 0.998 676 G CA -0.159 44.958 45.100 0.028 0.000 0.621 676 G HN 0.499 nan 8.290 nan 0.000 0.519 677 L N 1.599 122.849 121.223 0.046 0.000 2.343 677 L HA 0.441 4.784 4.340 0.005 0.000 0.278 677 L C -0.812 176.098 176.870 0.068 0.000 0.996 677 L CA -0.907 53.972 54.840 0.065 0.000 0.831 677 L CB 1.744 43.852 42.059 0.081 0.000 1.232 677 L HN -0.063 nan 8.230 nan 0.000 0.413 678 D N 5.695 126.144 120.400 0.082 0.000 2.994 678 D HA 0.337 4.980 4.640 0.005 0.000 0.240 678 D C -0.385 175.977 176.300 0.104 0.000 1.195 678 D CA 0.447 54.495 54.000 0.080 0.000 0.957 678 D CB 0.083 40.933 40.800 0.082 0.000 1.105 678 D HN 0.236 nan 8.370 nan 0.000 0.477 679 L N 1.136 122.417 121.223 0.097 0.000 2.401 679 L HA 0.310 4.653 4.340 0.005 0.000 0.266 679 L C 0.272 177.173 176.870 0.051 0.000 0.991 679 L CA -1.242 53.662 54.840 0.107 0.000 0.818 679 L CB 1.957 44.137 42.059 0.202 0.000 1.321 679 L HN -0.048 nan 8.230 nan 0.000 0.413 680 N N -0.996 117.720 118.700 0.028 0.000 2.405 680 N HA 0.142 4.885 4.740 0.005 0.000 0.269 680 N C 0.558 176.142 175.510 0.124 0.000 1.249 680 N CA -0.354 52.700 53.050 0.005 0.000 0.974 680 N CB 0.347 38.842 38.487 0.013 0.000 1.204 680 N HN 0.443 nan 8.380 nan 0.000 0.565 681 H N -0.693 118.475 119.070 0.163 0.000 2.470 681 H HA 0.114 4.673 4.556 0.005 0.000 0.289 681 H C 1.034 176.543 175.328 0.302 0.000 1.033 681 H CA 0.833 57.023 56.048 0.237 0.000 1.331 681 H CB 0.179 30.124 29.762 0.305 0.000 1.414 681 H HN 0.548 nan 8.280 nan 0.000 0.545 682 K N 0.699 121.331 120.400 0.387 0.000 2.032 682 K HA -0.174 4.149 4.320 0.005 0.000 0.209 682 K C 2.000 178.856 176.600 0.427 0.000 1.048 682 K CA 1.231 57.747 56.287 0.381 0.000 0.927 682 K CB -0.186 32.473 32.500 0.266 0.000 0.712 682 K HN 0.427 nan 8.250 nan 0.000 0.441 683 Q N 0.777 120.722 119.800 0.241 0.000 2.079 683 Q HA -0.054 4.288 4.340 0.005 0.000 0.200 683 Q C 2.339 178.681 176.000 0.570 0.000 0.974 683 Q CA 1.054 56.987 55.803 0.217 0.000 0.840 683 Q CB -0.164 28.499 28.738 -0.125 0.000 0.898 683 Q HN 0.268 nan 8.270 nan 0.000 0.430 684 L N -0.344 121.147 121.223 0.447 0.000 2.141 684 L HA -0.150 4.193 4.340 0.005 0.000 0.209 684 L C 2.229 179.312 176.870 0.356 0.000 1.094 684 L CA 0.727 55.810 54.840 0.405 0.000 0.763 684 L CB -0.423 41.858 42.059 0.370 0.000 0.908 684 L HN 0.212 nan 8.230 nan 0.000 0.437 685 F N 0.672 120.719 119.950 0.162 0.000 2.063 685 F HA -0.326 4.204 4.527 0.005 0.000 0.298 685 F C 2.095 177.958 175.800 0.106 0.000 1.109 685 F CA 1.848 59.840 58.000 -0.014 0.000 1.212 685 F CB -0.365 38.542 39.000 -0.155 0.000 0.973 685 F HN -0.111 nan 8.300 nan 0.000 0.480 686 F N -0.345 119.950 119.950 0.575 0.000 2.234 686 F HA -0.103 4.427 4.527 0.005 0.000 0.296 686 F C 2.411 178.615 175.800 0.674 0.000 1.089 686 F CA 0.721 59.061 58.000 0.566 0.000 1.343 686 F CB -0.566 38.823 39.000 0.648 0.000 1.040 686 F HN -0.016 nan 8.300 nan 0.000 0.498 687 L N 0.331 122.073 121.223 0.865 0.000 1.990 687 L HA -0.345 3.998 4.340 0.005 0.000 0.213 687 L C 2.414 179.489 176.870 0.341 0.000 1.072 687 L CA 1.904 57.124 54.840 0.633 0.000 0.755 687 L CB -0.552 41.797 42.059 0.483 0.000 0.889 687 L HN 0.294 nan 8.230 nan 0.000 0.432 688 N N -0.672 118.155 118.700 0.212 0.000 2.171 688 N HA -0.242 4.501 4.740 0.005 0.000 0.184 688 N C 2.053 177.562 175.510 -0.001 0.000 1.021 688 N CA 1.204 54.272 53.050 0.030 0.000 0.854 688 N CB -0.108 38.352 38.487 -0.046 0.000 0.994 688 N HN 0.293 nan 8.380 nan 0.000 0.426 689 F N 1.982 121.882 119.950 -0.083 0.000 2.063 689 F HA -0.343 4.187 4.527 0.005 0.000 0.298 689 F C 2.301 178.185 175.800 0.140 0.000 1.105 689 F CA 2.192 60.185 58.000 -0.012 0.000 1.215 689 F CB -0.437 38.576 39.000 0.022 0.000 0.972 689 F HN 0.066 nan 8.300 nan 0.000 0.483 690 A N -0.468 122.429 122.820 0.129 0.000 1.930 690 A HA -0.207 4.116 4.320 0.005 0.000 0.217 690 A C 2.111 179.685 177.584 -0.017 0.000 1.175 690 A CA 1.740 53.834 52.037 0.096 0.000 0.627 690 A CB -0.745 18.520 19.000 0.442 0.000 0.815 690 A HN 0.676 nan 8.150 nan 0.000 0.443 691 Q N -0.642 119.109 119.800 -0.082 0.000 2.389 691 Q HA 0.018 4.361 4.340 0.005 0.000 0.204 691 Q C 1.841 177.652 176.000 -0.315 0.000 0.944 691 Q CA 0.647 56.352 55.803 -0.163 0.000 0.908 691 Q CB -0.056 28.595 28.738 -0.145 0.000 1.002 691 Q HN 0.461 nan 8.270 nan 0.000 0.493 692 V N -0.354 119.287 119.914 -0.455 0.000 2.527 692 V HA -0.256 3.867 4.120 0.005 0.000 0.255 692 V C 0.819 176.489 176.094 -0.707 0.000 1.081 692 V CA 1.789 63.641 62.300 -0.748 0.000 1.092 692 V CB -0.352 30.890 31.823 -0.967 0.000 0.673 692 V HN 0.522 nan 8.190 nan 0.000 0.470 693 W N -2.768 118.410 121.300 -0.204 0.000 2.818 693 W HA 0.347 5.010 4.660 0.005 0.000 0.403 693 W C 0.607 177.055 176.519 -0.119 0.000 0.991 693 W CA -0.952 56.299 57.345 -0.157 0.000 1.925 693 W CB 0.152 29.502 29.460 -0.183 0.000 1.166 693 W HN 0.024 nan 8.180 nan 0.000 0.605 694 c N 2.161 120.714 118.600 -0.080 0.000 2.633 694 c HA 0.623 5.196 4.570 0.005 0.000 0.415 694 c C 1.145 174.907 174.090 -0.547 0.000 1.393 694 c CA 0.629 56.811 56.329 -0.245 0.000 1.700 694 c CB -0.893 41.292 42.510 -0.542 0.000 2.541 694 c HN 0.574 nan 8.230 nan 0.000 0.603 695 G N 2.306 110.961 108.800 -0.241 0.000 2.320 695 G HA2 0.533 4.496 3.960 0.005 0.000 0.297 695 G HA3 0.533 4.496 3.960 0.005 0.000 0.297 695 G C -1.086 173.998 174.900 0.306 0.000 1.344 695 G CA 0.331 45.313 45.100 -0.197 0.000 0.851 695 G HN 0.849 nan 8.290 nan 0.000 0.567 696 T N -1.780 112.984 114.554 0.350 0.000 2.739 696 T HA 0.710 5.062 4.350 0.005 0.000 0.303 696 T C -2.039 172.890 174.700 0.382 0.000 1.389 696 T CA -0.532 61.859 62.100 0.485 0.000 1.001 696 T CB 1.302 70.454 68.868 0.475 0.000 1.436 696 T HN 0.741 nan 8.240 nan 0.000 0.500 697 Y N 0.622 121.120 120.300 0.329 0.000 2.499 697 Y HA 0.624 5.177 4.550 0.005 0.000 0.347 697 Y C 0.734 176.741 175.900 0.179 0.000 0.987 697 Y CA -1.238 57.046 58.100 0.306 0.000 1.044 697 Y CB 1.757 40.412 38.460 0.325 0.000 1.245 697 Y HN 0.455 nan 8.280 nan 0.000 0.461 698 R N 3.005 123.694 120.500 0.315 0.000 2.543 698 R HA 0.094 4.437 4.340 0.005 0.000 0.277 698 R C -1.887 174.487 176.300 0.123 0.000 1.074 698 R CA -1.362 54.851 56.100 0.189 0.000 1.076 698 R CB 0.277 30.679 30.300 0.169 0.000 0.993 698 R HN 0.407 nan 8.270 nan 0.000 0.459 699 P HA -0.219 nan 4.420 nan 0.000 0.216 699 P C 0.463 177.719 177.300 -0.074 0.000 1.157 699 P CA 1.455 64.498 63.100 -0.095 0.000 0.880 699 P CB 0.278 31.931 31.700 -0.078 0.000 0.791 700 E N -1.921 118.285 120.200 0.010 0.000 2.077 700 E HA -0.203 4.150 4.350 0.005 0.000 0.193 700 E C 2.065 178.725 176.600 0.101 0.000 0.989 700 E CA 1.122 57.539 56.400 0.028 0.000 0.800 700 E CB -1.008 28.721 29.700 0.047 0.000 0.746 700 E HN 0.406 nan 8.360 nan 0.000 0.452 701 Y N 0.198 120.524 120.300 0.044 0.000 2.337 701 Y HA -0.071 4.482 4.550 0.005 0.000 0.293 701 Y C 2.177 178.163 175.900 0.143 0.000 1.123 701 Y CA 0.743 58.921 58.100 0.130 0.000 1.201 701 Y CB 0.021 38.630 38.460 0.249 0.000 1.011 701 Y HN 0.068 nan 8.280 nan 0.000 0.545 702 A N -0.459 122.300 122.820 -0.103 0.000 1.908 702 A HA -0.190 4.133 4.320 0.005 0.000 0.218 702 A C 2.179 179.562 177.584 -0.336 0.000 1.181 702 A CA 1.945 53.670 52.037 -0.520 0.000 0.627 702 A CB -1.242 17.106 19.000 -1.086 0.000 0.818 702 A HN 0.325 nan 8.150 nan 0.000 0.445 703 V N 0.376 120.162 119.914 -0.215 0.000 2.626 703 V HA -0.244 3.879 4.120 0.005 0.000 0.252 703 V C 2.221 178.345 176.094 0.051 0.000 1.067 703 V CA 2.151 64.382 62.300 -0.115 0.000 1.081 703 V CB -1.096 30.627 31.823 -0.167 0.000 0.686 703 V HN 0.789 nan 8.190 nan 0.000 0.468 704 N N 0.238 118.963 118.700 0.041 0.000 2.148 704 N HA -0.143 4.600 4.740 0.005 0.000 0.186 704 N C 2.038 177.548 175.510 -0.001 0.000 1.031 704 N CA 1.348 54.458 53.050 0.099 0.000 0.848 704 N CB 0.006 38.515 38.487 0.037 0.000 1.005 704 N HN 0.506 nan 8.380 nan 0.000 0.427 705 S N 0.164 115.754 115.700 -0.185 0.000 2.446 705 S HA 0.029 4.502 4.470 0.005 0.000 0.225 705 S C 2.031 176.657 174.600 0.044 0.000 1.016 705 S CA 0.064 58.199 58.200 -0.108 0.000 0.943 705 S CB -0.451 62.614 63.200 -0.226 0.000 0.786 705 S HN 0.335 nan 8.310 nan 0.000 0.508 706 I N 1.105 121.747 120.570 0.119 0.000 2.315 706 I HA -0.211 3.962 4.170 0.005 0.000 0.251 706 I C 2.133 178.313 176.117 0.106 0.000 1.125 706 I CA 1.319 62.712 61.300 0.156 0.000 1.392 706 I CB 0.008 38.139 38.000 0.218 0.000 1.065 706 I HN 0.258 nan 8.210 nan 0.000 0.424 707 K N -0.565 119.902 120.400 0.112 0.000 2.276 707 K HA 0.068 4.390 4.320 0.005 0.000 0.198 707 K C 1.770 178.418 176.600 0.080 0.000 1.052 707 K CA 1.544 57.899 56.287 0.113 0.000 0.984 707 K CB -0.012 32.596 32.500 0.181 0.000 0.836 707 K HN 0.411 nan 8.250 nan 0.000 0.490 708 T N -2.131 112.467 114.554 0.073 0.000 2.985 708 T HA 0.099 4.452 4.350 0.005 0.000 0.254 708 T C 0.359 175.099 174.700 0.067 0.000 1.021 708 T CA -0.322 61.815 62.100 0.062 0.000 0.957 708 T CB 0.323 69.231 68.868 0.066 0.000 1.047 708 T HN -0.198 nan 8.240 nan 0.000 0.511 709 D N 2.337 122.780 120.400 0.071 0.000 2.232 709 D HA 0.277 4.920 4.640 0.005 0.000 0.242 709 D C 1.506 177.821 176.300 0.024 0.000 1.093 709 D CA -0.518 53.538 54.000 0.093 0.000 0.845 709 D CB 2.094 42.978 40.800 0.141 0.000 1.124 709 D HN 0.090 nan 8.370 nan 0.000 0.467 710 V N 1.725 121.608 119.914 -0.051 0.000 3.217 710 V HA 0.072 4.195 4.120 0.005 0.000 0.264 710 V C 0.443 176.402 176.094 -0.225 0.000 1.135 710 V CA 0.663 62.873 62.300 -0.150 0.000 1.142 710 V CB -1.265 30.440 31.823 -0.197 0.000 0.754 710 V HN 0.411 nan 8.190 nan 0.000 0.484 711 H N 0.812 119.882 119.070 0.001 0.000 2.525 711 H HA 0.564 5.123 4.556 0.005 0.000 0.339 711 H C 0.666 175.931 175.328 -0.104 0.000 1.109 711 H CA 0.071 56.091 56.048 -0.047 0.000 1.352 711 H CB 0.913 30.634 29.762 -0.068 0.000 1.461 711 H HN 0.260 nan 8.280 nan 0.000 0.533 712 S N 4.093 119.777 115.700 -0.028 0.000 2.560 712 S HA 0.055 4.528 4.470 0.005 0.000 0.284 712 S C -2.124 172.337 174.600 -0.231 0.000 1.327 712 S CA -1.056 57.085 58.200 -0.099 0.000 1.055 712 S CB 0.211 63.423 63.200 0.019 0.000 0.868 712 S HN 0.521 nan 8.310 nan 0.000 0.506 713 P HA 0.053 nan 4.420 nan 0.000 0.266 713 P C 1.120 178.115 177.300 -0.509 0.000 1.193 713 P CA 0.100 62.885 63.100 -0.525 0.000 0.770 713 P CB 0.216 31.200 31.700 -1.193 0.000 0.836 714 G N 3.129 111.674 108.800 -0.425 0.000 2.442 714 G HA2 -0.281 3.682 3.960 0.005 0.000 0.219 714 G HA3 -0.281 3.682 3.960 0.005 0.000 0.219 714 G C 1.242 175.774 174.900 -0.614 0.000 1.141 714 G CA 0.595 45.339 45.100 -0.593 0.000 0.763 714 G HN 0.640 nan 8.290 nan 0.000 0.554 715 N N 0.819 119.014 118.700 -0.842 0.000 2.149 715 N HA -0.127 4.616 4.740 0.005 0.000 0.188 715 N C 1.774 176.685 175.510 -0.999 0.000 1.019 715 N CA 1.249 53.484 53.050 -1.358 0.000 0.857 715 N CB -0.831 36.471 38.487 -1.975 0.000 0.997 715 N HN 0.436 nan 8.380 nan 0.000 0.426 716 F N 0.638 120.168 119.950 -0.701 0.000 2.743 716 F HA 0.290 4.820 4.527 0.005 0.000 0.297 716 F C 2.502 178.096 175.800 -0.342 0.000 1.131 716 F CA -0.310 57.281 58.000 -0.681 0.000 1.426 716 F CB 0.201 38.747 39.000 -0.756 0.000 1.116 716 F HN -0.101 nan 8.300 nan 0.000 0.583 717 R N 0.515 120.898 120.500 -0.195 0.000 2.062 717 R HA -0.077 4.266 4.340 0.005 0.000 0.229 717 R C 2.094 178.409 176.300 0.024 0.000 1.128 717 R CA 1.417 57.462 56.100 -0.092 0.000 0.960 717 R CB -0.510 29.481 30.300 -0.514 0.000 0.855 717 R HN 0.283 nan 8.270 nan 0.000 0.432 718 I N 0.906 121.411 120.570 -0.108 0.000 2.091 718 I HA -0.349 3.824 4.170 0.005 0.000 0.239 718 I C 2.437 178.573 176.117 0.030 0.000 1.061 718 I CA 1.652 62.994 61.300 0.070 0.000 1.317 718 I CB -0.354 37.680 38.000 0.055 0.000 1.031 718 I HN 0.134 nan 8.210 nan 0.000 0.401 719 I N 0.497 120.993 120.570 -0.123 0.000 2.179 719 I HA -0.214 3.959 4.170 0.005 0.000 0.242 719 I C 2.651 178.703 176.117 -0.108 0.000 1.088 719 I CA 1.731 62.943 61.300 -0.147 0.000 1.357 719 I CB -0.837 37.009 38.000 -0.257 0.000 1.051 719 I HN 0.313 nan 8.210 nan 0.000 0.409 720 G N -0.217 108.534 108.800 -0.082 0.000 2.418 720 G HA2 -0.207 3.756 3.960 0.005 0.000 0.217 720 G HA3 -0.207 3.756 3.960 0.005 0.000 0.217 720 G C 1.650 176.569 174.900 0.032 0.000 1.158 720 G CA 1.294 46.329 45.100 -0.109 0.000 0.771 720 G HN 0.264 nan 8.290 nan 0.000 0.545 721 T N 1.482 116.125 114.554 0.149 0.000 2.770 721 T HA -0.004 4.349 4.350 0.005 0.000 0.263 721 T C 2.424 177.122 174.700 -0.003 0.000 1.039 721 T CA 1.038 63.241 62.100 0.171 0.000 1.142 721 T CB -0.195 68.875 68.868 0.336 0.000 0.868 721 T HN 0.190 nan 8.240 nan 0.000 0.435 722 L N 0.619 121.762 121.223 -0.133 0.000 2.156 722 L HA 0.013 4.356 4.340 0.005 0.000 0.208 722 L C 2.724 179.326 176.870 -0.448 0.000 1.095 722 L CA 1.033 55.579 54.840 -0.489 0.000 0.770 722 L CB -0.901 40.529 42.059 -1.048 0.000 0.914 722 L HN 0.249 nan 8.230 nan 0.000 0.439 723 Q N 0.698 120.313 119.800 -0.308 0.000 2.173 723 Q HA -0.205 4.138 4.340 0.005 0.000 0.208 723 Q C 1.599 177.522 176.000 -0.128 0.000 0.989 723 Q CA 1.568 57.242 55.803 -0.215 0.000 0.872 723 Q CB -0.102 28.520 28.738 -0.193 0.000 0.909 723 Q HN 0.521 nan 8.270 nan 0.000 0.420 724 N N -0.300 118.349 118.700 -0.085 0.000 2.398 724 N HA -0.018 4.725 4.740 0.005 0.000 0.188 724 N C -0.234 175.263 175.510 -0.021 0.000 1.122 724 N CA 0.211 53.240 53.050 -0.034 0.000 0.866 724 N CB 0.625 39.121 38.487 0.015 0.000 0.970 724 N HN -0.065 nan 8.380 nan 0.000 0.462 725 S N 0.147 115.816 115.700 -0.050 0.000 2.423 725 S HA 0.530 5.002 4.470 0.005 0.000 0.317 725 S C 1.090 175.683 174.600 -0.011 0.000 1.065 725 S CA -0.650 57.534 58.200 -0.026 0.000 1.111 725 S CB 0.928 64.092 63.200 -0.060 0.000 0.968 725 S HN 0.252 nan 8.310 nan 0.000 0.474 726 A N 4.670 127.491 122.820 0.002 0.000 1.933 726 A HA -0.041 4.282 4.320 0.005 0.000 0.218 726 A C 1.831 179.401 177.584 -0.023 0.000 1.175 726 A CA 1.660 53.698 52.037 0.002 0.000 0.628 726 A CB -0.653 18.357 19.000 0.016 0.000 0.814 726 A HN 0.771 nan 8.150 nan 0.000 0.444 727 E N -0.938 119.237 120.200 -0.041 0.000 2.153 727 E HA -0.126 4.226 4.350 0.005 0.000 0.194 727 E C 1.544 178.050 176.600 -0.157 0.000 0.988 727 E CA 1.191 57.534 56.400 -0.096 0.000 0.811 727 E CB -0.459 29.037 29.700 -0.340 0.000 0.746 727 E HN 0.753 nan 8.360 nan 0.000 0.466 728 F N 0.689 120.336 119.950 -0.504 0.000 2.113 728 F HA -0.147 4.383 4.527 0.005 0.000 0.297 728 F C 2.046 177.631 175.800 -0.359 0.000 1.103 728 F CA 1.342 58.814 58.000 -0.881 0.000 1.248 728 F CB -0.210 38.087 39.000 -1.171 0.000 0.999 728 F HN -0.131 nan 8.300 nan 0.000 0.475 729 S N 0.216 115.738 115.700 -0.297 0.000 2.428 729 S HA -0.153 4.319 4.470 0.005 0.000 0.230 729 S C 1.897 176.338 174.600 -0.264 0.000 1.014 729 S CA 0.884 58.903 58.200 -0.301 0.000 0.957 729 S CB -0.422 62.761 63.200 -0.029 0.000 0.784 729 S HN 0.468 nan 8.310 nan 0.000 0.499 730 E N 2.176 122.258 120.200 -0.196 0.000 2.017 730 E HA -0.101 4.252 4.350 0.005 0.000 0.193 730 E C 2.261 178.693 176.600 -0.280 0.000 0.997 730 E CA 1.291 57.608 56.400 -0.138 0.000 0.804 730 E CB -0.410 29.264 29.700 -0.044 0.000 0.757 730 E HN 0.399 nan 8.360 nan 0.000 0.448 731 A N -0.165 122.467 122.820 -0.313 0.000 1.948 731 A HA -0.168 4.155 4.320 0.005 0.000 0.220 731 A C 1.770 178.777 177.584 -0.961 0.000 1.177 731 A CA 1.516 53.271 52.037 -0.470 0.000 0.636 731 A CB -0.624 18.222 19.000 -0.257 0.000 0.815 731 A HN 0.298 nan 8.150 nan 0.000 0.449 732 F N -1.812 117.670 119.950 -0.780 0.000 2.654 732 F HA 0.258 4.787 4.527 0.005 0.000 0.303 732 F C 0.252 175.732 175.800 -0.533 0.000 1.099 732 F CA 0.020 57.587 58.000 -0.722 0.000 1.270 732 F CB -0.235 38.321 39.000 -0.740 0.000 1.024 732 F HN 0.450 nan 8.300 nan 0.000 0.548 733 H N -2.166 116.848 119.070 -0.094 0.000 2.748 733 H HA -0.193 4.366 4.556 0.005 0.000 0.322 733 H C -0.291 175.018 175.328 -0.031 0.000 1.208 733 H CA -0.199 55.818 56.048 -0.053 0.000 1.151 733 H CB -2.280 27.464 29.762 -0.030 0.000 1.505 733 H HN 0.175 nan 8.280 nan 0.000 0.429 734 c N 1.581 120.182 118.600 0.001 0.000 2.415 734 c HA 0.258 4.831 4.570 0.005 0.000 0.369 734 c C 1.408 175.521 174.090 0.039 0.000 1.279 734 c CA -0.641 55.700 56.329 0.021 0.000 1.886 734 c CB 0.025 42.538 42.510 0.004 0.000 2.468 734 c HN 0.532 nan 8.230 nan 0.000 0.553 735 R N 2.197 122.727 120.500 0.051 0.000 2.585 735 R HA 0.068 4.411 4.340 0.005 0.000 0.275 735 R C 0.302 176.626 176.300 0.039 0.000 1.018 735 R CA 0.126 56.252 56.100 0.043 0.000 1.072 735 R CB 0.350 30.677 30.300 0.045 0.000 0.953 735 R HN 0.616 nan 8.270 nan 0.000 0.419 736 K N 2.868 123.286 120.400 0.029 0.000 2.579 736 K HA -0.255 4.068 4.320 0.005 0.000 0.277 736 K C 0.480 177.097 176.600 0.029 0.000 0.985 736 K CA 0.800 57.100 56.287 0.023 0.000 1.088 736 K CB 0.032 32.543 32.500 0.017 0.000 0.836 736 K HN 0.615 nan 8.250 nan 0.000 0.487 737 N N -0.088 118.626 118.700 0.022 0.000 2.678 737 N HA -0.222 4.520 4.740 0.005 0.000 0.250 737 N C -0.631 174.913 175.510 0.057 0.000 1.136 737 N CA 1.409 54.476 53.050 0.028 0.000 0.757 737 N CB -1.478 37.023 38.487 0.023 0.000 1.135 737 N HN 0.765 nan 8.380 nan 0.000 0.565 738 S N -0.707 115.032 115.700 0.066 0.000 2.558 738 S HA -0.025 4.447 4.470 0.005 0.000 0.287 738 S C 1.283 175.956 174.600 0.121 0.000 1.321 738 S CA -0.082 58.179 58.200 0.103 0.000 1.048 738 S CB 0.639 63.898 63.200 0.098 0.000 0.844 738 S HN 0.323 nan 8.310 nan 0.000 0.512 739 Y N 2.945 123.276 120.300 0.051 0.000 2.193 739 Y HA -0.164 4.389 4.550 0.005 0.000 0.285 739 Y C 2.060 177.989 175.900 0.048 0.000 1.166 739 Y CA 1.879 60.009 58.100 0.050 0.000 1.181 739 Y CB -0.077 38.417 38.460 0.057 0.000 0.976 739 Y HN 0.617 nan 8.280 nan 0.000 0.520 740 M N -0.246 119.366 119.600 0.020 0.000 2.595 740 M HA 0.005 4.488 4.480 0.005 0.000 0.248 740 M C 0.115 176.393 176.300 -0.038 0.000 1.119 740 M CA 0.739 55.999 55.300 -0.066 0.000 1.079 740 M CB -0.772 31.895 32.600 0.111 0.000 1.472 740 M HN 0.248 nan 8.290 nan 0.000 0.501 741 N N 1.471 120.166 118.700 -0.008 0.000 2.765 741 N HA 0.241 4.984 4.740 0.005 0.000 0.277 741 N C -2.810 172.686 175.510 -0.023 0.000 1.750 741 N CA -1.747 51.307 53.050 0.007 0.000 0.827 741 N CB 1.265 39.781 38.487 0.049 0.000 1.200 741 N HN -0.039 nan 8.380 nan 0.000 0.494 742 P HA 0.063 nan 4.420 nan 0.000 0.271 742 P C 0.780 178.056 177.300 -0.040 0.000 1.216 742 P CA -0.029 63.035 63.100 -0.061 0.000 0.776 742 P CB 1.429 33.067 31.700 -0.103 0.000 0.881 743 E N 2.941 123.124 120.200 -0.028 0.000 2.058 743 E HA -0.178 4.175 4.350 0.005 0.000 0.194 743 E C 0.402 176.986 176.600 -0.028 0.000 0.997 743 E CA 1.270 57.657 56.400 -0.021 0.000 0.801 743 E CB 0.123 29.814 29.700 -0.016 0.000 0.746 743 E HN 0.350 nan 8.360 nan 0.000 0.450 744 K N 1.475 121.851 120.400 -0.039 0.000 2.276 744 K HA 0.119 4.442 4.320 0.005 0.000 0.285 744 K C -0.750 175.819 176.600 -0.053 0.000 1.062 744 K CA 0.036 56.296 56.287 -0.044 0.000 0.918 744 K CB 0.585 33.056 32.500 -0.048 0.000 1.055 744 K HN -0.092 nan 8.250 nan 0.000 0.477 745 K N 3.113 123.486 120.400 -0.045 0.000 2.345 745 K HA 0.305 4.628 4.320 0.005 0.000 0.255 745 K C -0.777 175.793 176.600 -0.049 0.000 0.934 745 K CA -0.775 55.484 56.287 -0.045 0.000 0.801 745 K CB 1.703 34.184 32.500 -0.030 0.000 1.137 745 K HN 0.579 nan 8.250 nan 0.000 0.424 746 c N 1.971 120.541 118.600 -0.050 0.000 2.536 746 c HA 0.453 5.025 4.570 0.005 0.000 0.396 746 c C 0.403 174.456 174.090 -0.061 0.000 1.279 746 c CA -0.488 55.799 56.329 -0.070 0.000 2.148 746 c CB -0.330 42.148 42.510 -0.055 0.000 2.584 746 c HN 0.827 nan 8.230 nan 0.000 0.579 747 R N 1.432 121.863 120.500 -0.115 0.000 2.548 747 R HA 0.561 4.904 4.340 0.005 0.000 0.280 747 R C -0.101 176.046 176.300 -0.256 0.000 1.061 747 R CA -0.334 55.710 56.100 -0.094 0.000 0.915 747 R CB 1.315 31.604 30.300 -0.018 0.000 1.210 747 R HN 0.612 nan 8.270 nan 0.000 0.442 748 V N 2.702 122.467 119.914 -0.249 0.000 3.240 748 V HA 0.629 4.752 4.120 0.005 0.000 0.218 748 V C -0.169 175.884 176.094 -0.068 0.000 1.190 748 V CA -0.042 61.966 62.300 -0.487 0.000 1.280 748 V CB -0.400 30.947 31.823 -0.795 0.000 1.244 748 V HN 0.596 nan 8.190 nan 0.000 0.512 749 W N 0.000 121.453 121.300 0.255 0.000 2.388 749 W HA 0.000 4.663 4.660 0.005 0.000 0.303 749 W CA 0.000 57.494 57.345 0.248 0.000 1.226 749 W CB 0.000 29.620 29.460 0.267 0.000 1.126 749 W HN 0.000 nan 8.180 nan 0.000 0.535