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 2qpj_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 3.959 3.960 -0.002 0.000 0.244 54 G C 0.000 174.933 174.900 0.055 0.000 0.946 54 G CA 0.000 45.126 45.100 0.043 0.000 0.502 55 I N 1.395 121.994 120.570 0.048 0.000 2.396 55 I HA 0.298 4.467 4.170 -0.002 0.000 0.292 55 I C 0.984 177.134 176.117 0.055 0.000 0.999 55 I CA -0.951 60.381 61.300 0.052 0.000 1.310 55 I CB 1.093 39.117 38.000 0.040 0.000 1.404 55 I HN 0.122 nan 8.210 nan 0.000 0.496 56 c N 6.990 125.632 118.600 0.070 0.000 2.648 56 c HA 0.101 4.670 4.570 -0.002 0.000 0.419 56 c C 1.413 175.531 174.090 0.047 0.000 1.352 56 c CA 0.030 56.398 56.329 0.065 0.000 1.816 56 c CB -0.609 41.954 42.510 0.087 0.000 2.598 56 c HN 0.896 nan 8.230 nan 0.000 0.598 57 K N 2.792 123.214 120.400 0.037 0.000 2.447 57 K HA 0.137 4.456 4.320 -0.002 0.000 0.205 57 K C 0.711 177.324 176.600 0.022 0.000 1.059 57 K CA -0.040 56.263 56.287 0.027 0.000 1.065 57 K CB 0.377 32.892 32.500 0.024 0.000 0.885 57 K HN 0.827 nan 8.250 nan 0.000 0.545 58 S N -1.105 114.609 115.700 0.024 0.000 2.601 58 S HA 0.142 4.610 4.470 -0.002 0.000 0.271 58 S C 1.214 175.821 174.600 0.011 0.000 1.305 58 S CA -0.422 57.788 58.200 0.017 0.000 1.022 58 S CB 1.736 64.947 63.200 0.018 0.000 0.940 58 S HN 0.084 nan 8.310 nan 0.000 0.525 59 S N 1.662 117.365 115.700 0.006 0.000 2.425 59 S HA -0.225 4.244 4.470 -0.002 0.000 0.256 59 S C 1.402 176.002 174.600 -0.001 0.000 1.101 59 S CA 2.235 60.435 58.200 0.001 0.000 1.188 59 S CB -0.822 62.376 63.200 -0.003 0.000 1.085 59 S HN 0.877 nan 8.310 nan 0.000 0.439 60 D N -0.250 120.148 120.400 -0.003 0.000 2.183 60 D HA -0.008 4.631 4.640 -0.002 0.000 0.203 60 D C 2.095 178.395 176.300 -0.001 0.000 0.969 60 D CA 0.801 54.795 54.000 -0.010 0.000 0.842 60 D CB -0.385 40.403 40.800 -0.020 0.000 0.957 60 D HN 0.412 nan 8.370 nan 0.000 0.484 61 c N 0.834 119.441 118.600 0.012 0.000 2.440 61 c HA -0.098 4.471 4.570 -0.002 0.000 0.278 61 c C 2.670 176.771 174.090 0.018 0.000 1.295 61 c CA -0.100 56.244 56.329 0.025 0.000 1.738 61 c CB -0.694 41.839 42.510 0.039 0.000 1.987 61 c HN 0.263 nan 8.230 nan 0.000 0.492 62 I N 1.569 122.146 120.570 0.012 0.000 2.163 62 I HA -0.172 3.997 4.170 -0.002 0.000 0.243 62 I C 2.345 178.463 176.117 0.003 0.000 1.085 62 I CA 1.540 62.845 61.300 0.008 0.000 1.347 62 I CB -1.140 36.864 38.000 0.006 0.000 1.044 62 I HN 0.346 nan 8.210 nan 0.000 0.408 63 K N 0.072 120.471 120.400 -0.001 0.000 2.026 63 K HA -0.124 4.195 4.320 -0.002 0.000 0.208 63 K C 2.290 178.885 176.600 -0.008 0.000 1.048 63 K CA 1.806 58.090 56.287 -0.006 0.000 0.929 63 K CB -0.314 32.180 32.500 -0.010 0.000 0.713 63 K HN 0.166 nan 8.250 nan 0.000 0.439 64 S N 0.816 116.511 115.700 -0.007 0.000 2.353 64 S HA -0.209 4.260 4.470 -0.002 0.000 0.222 64 S C 2.170 176.768 174.600 -0.004 0.000 1.035 64 S CA 1.418 59.614 58.200 -0.008 0.000 1.025 64 S CB -0.414 62.787 63.200 0.003 0.000 0.902 64 S HN 0.468 nan 8.310 nan 0.000 0.440 65 A N 1.456 124.280 122.820 0.005 0.000 1.908 65 A HA 0.043 4.361 4.320 -0.002 0.000 0.218 65 A C 2.338 179.920 177.584 -0.003 0.000 1.181 65 A CA 1.863 53.903 52.037 0.006 0.000 0.627 65 A CB -1.066 17.941 19.000 0.011 0.000 0.818 65 A HN 0.536 nan 8.150 nan 0.000 0.445 66 A N -0.672 122.145 122.820 -0.004 0.000 1.930 66 A HA -0.117 4.201 4.320 -0.002 0.000 0.217 66 A C 2.274 179.851 177.584 -0.011 0.000 1.175 66 A CA 1.512 53.545 52.037 -0.006 0.000 0.627 66 A CB -0.482 18.516 19.000 -0.004 0.000 0.815 66 A HN 0.443 nan 8.150 nan 0.000 0.443 67 R N 0.094 120.587 120.500 -0.013 0.000 2.073 67 R HA -0.074 4.265 4.340 -0.002 0.000 0.234 67 R C 1.966 178.249 176.300 -0.028 0.000 1.134 67 R CA 1.738 57.827 56.100 -0.017 0.000 0.952 67 R CB -0.716 29.568 30.300 -0.026 0.000 0.850 67 R HN 0.536 nan 8.270 nan 0.000 0.433 68 L N 0.479 121.683 121.223 -0.031 0.000 1.994 68 L HA -0.191 4.148 4.340 -0.002 0.000 0.208 68 L C 2.621 179.458 176.870 -0.056 0.000 1.071 68 L CA 1.377 56.193 54.840 -0.041 0.000 0.745 68 L CB -0.425 41.626 42.059 -0.014 0.000 0.892 68 L HN 0.154 nan 8.230 nan 0.000 0.431 69 I N -0.609 119.938 120.570 -0.038 0.000 2.118 69 I HA -0.373 3.796 4.170 -0.002 0.000 0.241 69 I C 2.594 178.677 176.117 -0.055 0.000 1.070 69 I CA 1.554 62.827 61.300 -0.046 0.000 1.327 69 I CB -0.356 37.630 38.000 -0.023 0.000 1.034 69 I HN 0.323 nan 8.210 nan 0.000 0.405 70 Q N 0.228 120.007 119.800 -0.036 0.000 2.224 70 Q HA -0.159 4.180 4.340 -0.002 0.000 0.203 70 Q C 1.903 177.889 176.000 -0.023 0.000 0.970 70 Q CA 1.135 56.922 55.803 -0.027 0.000 0.865 70 Q CB -0.061 28.671 28.738 -0.011 0.000 0.922 70 Q HN 0.474 nan 8.270 nan 0.000 0.445 71 N N 0.188 118.871 118.700 -0.029 0.000 2.300 71 N HA -0.013 4.726 4.740 -0.002 0.000 0.179 71 N C 0.766 176.213 175.510 -0.105 0.000 1.016 71 N CA 0.625 53.665 53.050 -0.016 0.000 0.876 71 N CB 0.041 38.499 38.487 -0.048 0.000 0.979 71 N HN 0.385 nan 8.380 nan 0.000 0.432 72 M N -0.297 119.197 119.600 -0.176 0.000 2.368 72 M HA 0.366 4.845 4.480 -0.002 0.000 0.311 72 M C -0.896 175.245 176.300 -0.263 0.000 1.168 72 M CA -0.414 54.696 55.300 -0.317 0.000 1.044 72 M CB 1.396 33.732 32.600 -0.440 0.000 1.506 72 M HN -0.275 nan 8.290 nan 0.000 0.475 73 D N 1.539 121.748 120.400 -0.318 0.000 2.420 73 D HA 0.509 5.148 4.640 -0.002 0.000 0.255 73 D C 0.170 176.391 176.300 -0.132 0.000 1.185 73 D CA -0.390 53.507 54.000 -0.173 0.000 0.904 73 D CB 1.456 42.194 40.800 -0.104 0.000 1.102 73 D HN 0.749 nan 8.370 nan 0.000 0.534 74 A N 2.567 125.338 122.820 -0.082 0.000 2.235 74 A HA -0.012 4.307 4.320 -0.002 0.000 0.208 74 A C 1.848 179.527 177.584 0.159 0.000 1.172 74 A CA 1.207 53.298 52.037 0.089 0.000 0.786 74 A CB -0.532 18.520 19.000 0.086 0.000 0.804 74 A HN 0.582 nan 8.150 nan 0.000 0.479 75 T N -3.343 111.264 114.554 0.088 0.000 3.118 75 T HA 0.058 4.407 4.350 -0.002 0.000 0.260 75 T C 0.688 175.448 174.700 0.101 0.000 1.139 75 T CA 1.000 63.150 62.100 0.083 0.000 1.085 75 T CB -0.473 68.422 68.868 0.045 0.000 0.934 75 T HN 0.160 nan 8.240 nan 0.000 0.518 76 T N 2.881 117.521 114.554 0.143 0.000 2.837 76 T HA 0.377 4.726 4.350 -0.002 0.000 0.285 76 T C -0.349 174.461 174.700 0.183 0.000 0.984 76 T CA -0.484 61.706 62.100 0.149 0.000 1.049 76 T CB 1.456 70.405 68.868 0.135 0.000 0.947 76 T HN 0.331 nan 8.240 nan 0.000 0.472 77 E N 4.872 125.133 120.200 0.101 0.000 2.328 77 E HA 0.123 4.472 4.350 -0.002 0.000 0.265 77 E C -1.775 174.822 176.600 -0.004 0.000 1.057 77 E CA -1.942 54.486 56.400 0.046 0.000 0.916 77 E CB 0.821 30.555 29.700 0.056 0.000 0.993 77 E HN 0.180 nan 8.360 nan 0.000 0.446 78 P HA -0.164 nan 4.420 nan 0.000 0.218 78 P C 0.407 177.754 177.300 0.077 0.000 1.146 78 P CA 1.061 63.986 63.100 -0.292 0.000 0.813 78 P CB 0.217 31.453 31.700 -0.772 0.000 0.778 79 c N -2.687 115.942 118.600 0.049 0.000 2.696 79 c HA 0.124 4.693 4.570 -0.002 0.000 0.264 79 c C 2.397 176.596 174.090 0.181 0.000 1.288 79 c CA 0.824 57.227 56.329 0.123 0.000 1.717 79 c CB -1.492 41.056 42.510 0.064 0.000 1.893 79 c HN 0.285 nan 8.230 nan 0.000 0.577 80 T N -0.899 113.754 114.554 0.166 0.000 3.033 80 T HA 0.017 4.365 4.350 -0.002 0.000 0.248 80 T C 0.178 175.017 174.700 0.232 0.000 1.040 80 T CA 1.188 63.398 62.100 0.184 0.000 1.133 80 T CB 0.053 68.983 68.868 0.103 0.000 0.895 80 T HN 0.373 nan 8.240 nan 0.000 0.465 81 D N -0.274 120.254 120.400 0.214 0.000 2.351 81 D HA 0.164 4.803 4.640 -0.002 0.000 0.235 81 D C -0.325 176.126 176.300 0.252 0.000 1.331 81 D CA -0.524 53.612 54.000 0.227 0.000 0.959 81 D CB 0.135 41.012 40.800 0.128 0.000 1.432 81 D HN -0.034 nan 8.370 nan 0.000 0.544 82 F N 2.798 122.826 119.950 0.129 0.000 2.325 82 F HA 0.063 4.589 4.527 -0.002 0.000 0.299 82 F C 1.513 177.426 175.800 0.187 0.000 1.090 82 F CA 0.709 58.785 58.000 0.128 0.000 1.392 82 F CB -0.108 38.897 39.000 0.008 0.000 1.053 82 F HN 0.428 nan 8.300 nan 0.000 0.521 83 F N 0.789 120.757 119.950 0.030 0.000 2.102 83 F HA -0.202 4.323 4.527 -0.002 0.000 0.298 83 F C 2.513 178.254 175.800 -0.099 0.000 1.105 83 F CA 1.937 59.892 58.000 -0.074 0.000 1.239 83 F CB -0.333 38.606 39.000 -0.101 0.000 0.991 83 F HN -0.168 nan 8.300 nan 0.000 0.474 84 K N -0.875 119.481 120.400 -0.073 0.000 2.057 84 K HA -0.247 4.072 4.320 -0.002 0.000 0.206 84 K C 2.139 178.646 176.600 -0.155 0.000 1.050 84 K CA 1.517 57.719 56.287 -0.142 0.000 0.935 84 K CB -0.580 31.926 32.500 0.011 0.000 0.715 84 K HN 0.409 nan 8.250 nan 0.000 0.439 85 Y N 0.804 120.962 120.300 -0.238 0.000 2.128 85 Y HA -0.258 4.291 4.550 -0.002 0.000 0.284 85 Y C 1.910 177.567 175.900 -0.404 0.000 1.154 85 Y CA 1.914 59.840 58.100 -0.291 0.000 1.149 85 Y CB -0.407 37.854 38.460 -0.331 0.000 0.976 85 Y HN 0.122 nan 8.280 nan 0.000 0.505 86 A N -2.102 120.353 122.820 -0.609 0.000 2.016 86 A HA -0.044 4.274 4.320 -0.002 0.000 0.217 86 A C 1.885 179.192 177.584 -0.462 0.000 1.162 86 A CA 1.423 53.087 52.037 -0.622 0.000 0.662 86 A CB -0.908 17.756 19.000 -0.560 0.000 0.812 86 A HN 0.568 nan 8.150 nan 0.000 0.450 87 c N -2.151 116.151 118.600 -0.498 0.000 3.642 87 c HA 0.339 4.908 4.570 -0.002 0.000 0.305 87 c C 2.441 176.368 174.090 -0.271 0.000 1.492 87 c CA -0.471 55.590 56.329 -0.447 0.000 1.809 87 c CB -0.345 41.662 42.510 -0.840 0.000 2.639 87 c HN 0.636 nan 8.230 nan 0.000 0.672 88 G N 1.398 110.045 108.800 -0.255 0.000 2.432 88 G HA2 0.005 3.964 3.960 -0.002 0.000 0.219 88 G HA3 0.005 3.964 3.960 -0.002 0.000 0.219 88 G C 1.686 176.547 174.900 -0.066 0.000 1.135 88 G CA 1.361 46.378 45.100 -0.137 0.000 0.767 88 G HN 0.555 nan 8.290 nan 0.000 0.550 89 G N -0.143 108.613 108.800 -0.074 0.000 2.402 89 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.216 89 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.216 89 G C 1.545 176.446 174.900 0.002 0.000 1.162 89 G CA 0.805 45.879 45.100 -0.043 0.000 0.777 89 G HN 0.463 nan 8.290 nan 0.000 0.539 90 W N 0.578 121.801 121.300 -0.128 0.000 2.335 90 W HA -0.075 4.584 4.660 -0.002 0.000 0.311 90 W C 2.186 178.672 176.519 -0.055 0.000 1.213 90 W CA 0.862 58.153 57.345 -0.090 0.000 1.274 90 W CB -0.165 29.228 29.460 -0.113 0.000 1.148 90 W HN 0.097 nan 8.180 nan 0.000 0.498 91 L N 1.251 122.624 121.223 0.250 0.000 2.141 91 L HA -0.167 4.172 4.340 -0.002 0.000 0.209 91 L C 2.400 179.257 176.870 -0.023 0.000 1.094 91 L CA 1.831 56.785 54.840 0.189 0.000 0.763 91 L CB -1.543 40.616 42.059 0.166 0.000 0.908 91 L HN 0.072 nan 8.230 nan 0.000 0.437 92 K N -0.397 119.969 120.400 -0.055 0.000 2.155 92 K HA -0.103 4.215 4.320 -0.002 0.000 0.203 92 K C 1.974 178.493 176.600 -0.134 0.000 1.052 92 K CA 0.947 57.189 56.287 -0.075 0.000 0.948 92 K CB 0.189 32.655 32.500 -0.058 0.000 0.728 92 K HN 0.265 nan 8.250 nan 0.000 0.448 93 R N -0.029 120.342 120.500 -0.216 0.000 2.254 93 R HA 0.133 4.472 4.340 -0.002 0.000 0.195 93 R C 0.069 176.174 176.300 -0.325 0.000 0.957 93 R CA 0.092 56.050 56.100 -0.237 0.000 1.024 93 R CB 0.291 30.455 30.300 -0.227 0.000 0.952 93 R HN 0.135 nan 8.270 nan 0.000 0.484 94 N N 0.863 119.262 118.700 -0.501 0.000 2.321 94 N HA 0.270 5.008 4.740 -0.002 0.000 0.299 94 N C -0.927 174.386 175.510 -0.328 0.000 1.048 94 N CA -0.299 52.411 53.050 -0.566 0.000 0.836 94 N CB 2.991 40.704 38.487 -1.290 0.000 1.269 94 N HN -0.227 nan 8.380 nan 0.000 0.486 95 V N 2.009 121.805 119.914 -0.196 0.000 2.732 95 V HA 0.466 4.584 4.120 -0.002 0.000 0.310 95 V C 0.625 176.655 176.094 -0.107 0.000 1.053 95 V CA -0.925 61.313 62.300 -0.104 0.000 0.957 95 V CB 1.846 33.615 31.823 -0.090 0.000 1.018 95 V HN 0.505 nan 8.190 nan 0.000 0.452 96 I N 4.553 125.103 120.570 -0.033 0.000 2.533 96 I HA 0.184 4.353 4.170 -0.002 0.000 0.284 96 I C -2.007 173.982 176.117 -0.214 0.000 1.109 96 I CA -1.213 60.030 61.300 -0.095 0.000 1.412 96 I CB 0.495 38.528 38.000 0.054 0.000 1.396 96 I HN 0.452 nan 8.210 nan 0.000 0.543 97 P HA -0.016 nan 4.420 nan 0.000 0.268 97 P C 0.461 177.662 177.300 -0.166 0.000 1.208 97 P CA -0.151 62.774 63.100 -0.292 0.000 0.777 97 P CB 0.525 31.996 31.700 -0.382 0.000 0.875 98 E N 0.449 120.578 120.200 -0.118 0.000 2.265 98 E HA -0.106 4.243 4.350 -0.002 0.000 0.196 98 E C 1.362 177.918 176.600 -0.075 0.000 0.996 98 E CA 1.625 57.979 56.400 -0.076 0.000 0.832 98 E CB -0.734 28.930 29.700 -0.061 0.000 0.756 98 E HN 0.604 nan 8.360 nan 0.000 0.491 99 T N -2.572 111.923 114.554 -0.098 0.000 3.086 99 T HA 0.206 4.555 4.350 -0.002 0.000 0.250 99 T C 0.824 175.460 174.700 -0.107 0.000 1.074 99 T CA -0.306 61.733 62.100 -0.101 0.000 0.988 99 T CB 0.322 69.122 68.868 -0.114 0.000 0.988 99 T HN -0.212 nan 8.240 nan 0.000 0.530 100 S N 1.556 117.196 115.700 -0.100 0.000 2.472 100 S HA 0.478 4.947 4.470 -0.002 0.000 0.303 100 S C 1.102 175.671 174.600 -0.052 0.000 1.099 100 S CA -0.588 57.567 58.200 -0.074 0.000 1.077 100 S CB 1.818 64.989 63.200 -0.048 0.000 1.031 100 S HN 0.516 nan 8.310 nan 0.000 0.487 101 S N 2.407 118.045 115.700 -0.102 0.000 2.486 101 S HA 0.218 4.687 4.470 -0.002 0.000 0.220 101 S C 0.644 175.221 174.600 -0.038 0.000 1.011 101 S CA -0.175 57.967 58.200 -0.096 0.000 0.921 101 S CB 0.190 63.193 63.200 -0.329 0.000 0.785 101 S HN 0.665 nan 8.310 nan 0.000 0.517 102 R N -0.914 119.538 120.500 -0.079 0.000 2.698 102 R HA 0.574 4.913 4.340 -0.002 0.000 0.275 102 R C -2.413 173.965 176.300 0.130 0.000 1.001 102 R CA -0.718 55.335 56.100 -0.078 0.000 0.896 102 R CB 1.620 31.757 30.300 -0.272 0.000 1.218 102 R HN 0.270 nan 8.270 nan 0.000 0.462 103 Y N 0.751 121.051 120.300 0.001 0.000 2.544 103 Y HA 0.649 5.198 4.550 -0.002 0.000 0.342 103 Y C -0.535 175.435 175.900 0.118 0.000 1.062 103 Y CA 0.415 58.594 58.100 0.132 0.000 1.023 103 Y CB 2.560 41.168 38.460 0.247 0.000 1.308 103 Y HN 0.885 nan 8.280 nan 0.000 0.457 104 G N 2.579 111.120 108.800 -0.433 0.000 2.337 104 G HA2 -0.014 3.945 3.960 -0.002 0.000 0.298 104 G HA3 -0.014 3.945 3.960 -0.002 0.000 0.298 104 G C -0.521 174.065 174.900 -0.524 0.000 1.335 104 G CA -0.449 44.232 45.100 -0.699 0.000 0.875 104 G HN 0.655 nan 8.290 nan 0.000 0.579 105 N N -1.159 117.208 118.700 -0.555 0.000 2.137 105 N HA -0.134 4.605 4.740 -0.002 0.000 0.190 105 N C 1.894 177.287 175.510 -0.194 0.000 1.017 105 N CA 1.620 54.467 53.050 -0.338 0.000 0.859 105 N CB -0.083 38.185 38.487 -0.366 0.000 1.002 105 N HN 0.355 nan 8.380 nan 0.000 0.428 106 F N 2.098 121.865 119.950 -0.304 0.000 2.113 106 F HA -0.131 4.395 4.527 -0.002 0.000 0.297 106 F C 1.930 177.661 175.800 -0.115 0.000 1.103 106 F CA 1.356 59.240 58.000 -0.193 0.000 1.248 106 F CB -0.164 38.721 39.000 -0.192 0.000 0.999 106 F HN 0.006 nan 8.300 nan 0.000 0.475 107 D N 0.183 120.556 120.400 -0.045 0.000 2.219 107 D HA -0.128 4.510 4.640 -0.002 0.000 0.205 107 D C 2.467 178.682 176.300 -0.143 0.000 0.970 107 D CA 1.210 55.157 54.000 -0.089 0.000 0.851 107 D CB -0.137 40.664 40.800 0.001 0.000 0.943 107 D HN 0.360 nan 8.370 nan 0.000 0.488 108 I N 0.825 121.261 120.570 -0.224 0.000 2.315 108 I HA -0.217 3.952 4.170 -0.002 0.000 0.248 108 I C 2.440 178.507 176.117 -0.083 0.000 1.117 108 I CA 0.558 61.776 61.300 -0.136 0.000 1.404 108 I CB -0.080 37.835 38.000 -0.143 0.000 1.071 108 I HN -0.043 nan 8.210 nan 0.000 0.419 109 L N 0.222 121.361 121.223 -0.140 0.000 2.079 109 L HA -0.220 4.119 4.340 -0.002 0.000 0.210 109 L C 2.739 179.530 176.870 -0.131 0.000 1.081 109 L CA 1.464 56.229 54.840 -0.125 0.000 0.752 109 L CB -0.563 41.388 42.059 -0.181 0.000 0.896 109 L HN 0.224 nan 8.230 nan 0.000 0.433 110 R N -0.285 120.101 120.500 -0.190 0.000 2.073 110 R HA -0.121 4.217 4.340 -0.002 0.000 0.229 110 R C 1.900 178.165 176.300 -0.058 0.000 1.120 110 R CA 1.312 57.324 56.100 -0.148 0.000 0.967 110 R CB -0.339 29.860 30.300 -0.168 0.000 0.862 110 R HN 0.296 nan 8.270 nan 0.000 0.436 111 D N 0.812 121.200 120.400 -0.019 0.000 2.123 111 D HA -0.167 4.471 4.640 -0.002 0.000 0.196 111 D C 1.604 177.949 176.300 0.076 0.000 0.992 111 D CA 1.323 55.345 54.000 0.036 0.000 0.833 111 D CB -0.081 40.773 40.800 0.091 0.000 0.954 111 D HN 0.314 nan 8.370 nan 0.000 0.455 112 E N -0.242 119.994 120.200 0.059 0.000 2.152 112 E HA -0.054 4.295 4.350 -0.002 0.000 0.192 112 E C 2.133 178.795 176.600 0.102 0.000 0.983 112 E CA 0.028 56.480 56.400 0.086 0.000 0.818 112 E CB 0.011 29.748 29.700 0.062 0.000 0.758 112 E HN 0.206 nan 8.360 nan 0.000 0.467 113 L N 1.044 122.306 121.223 0.065 0.000 2.093 113 L HA -0.170 4.169 4.340 -0.002 0.000 0.208 113 L C 1.946 178.864 176.870 0.079 0.000 1.085 113 L CA 1.421 56.301 54.840 0.067 0.000 0.755 113 L CB 0.034 42.050 42.059 -0.072 0.000 0.904 113 L HN 0.057 nan 8.230 nan 0.000 0.435 114 E N -0.800 119.450 120.200 0.083 0.000 2.118 114 E HA -0.226 4.123 4.350 -0.002 0.000 0.195 114 E C 2.162 178.963 176.600 0.335 0.000 0.992 114 E CA 1.560 58.056 56.400 0.159 0.000 0.804 114 E CB -0.087 29.664 29.700 0.085 0.000 0.741 114 E HN 0.401 nan 8.360 nan 0.000 0.458 115 V N 0.606 120.706 119.914 0.310 0.000 2.343 115 V HA -0.244 3.875 4.120 -0.002 0.000 0.247 115 V C 2.273 178.428 176.094 0.100 0.000 1.051 115 V CA 1.345 63.781 62.300 0.227 0.000 1.036 115 V CB -0.356 31.563 31.823 0.161 0.000 0.654 115 V HN 0.156 nan 8.190 nan 0.000 0.451 116 V N -0.231 119.759 119.914 0.125 0.000 2.343 116 V HA -0.255 3.864 4.120 -0.002 0.000 0.247 116 V C 2.298 178.443 176.094 0.084 0.000 1.051 116 V CA 1.903 64.271 62.300 0.113 0.000 1.036 116 V CB -0.543 31.419 31.823 0.232 0.000 0.654 116 V HN 0.444 nan 8.190 nan 0.000 0.451 117 L N -0.212 121.070 121.223 0.098 0.000 2.056 117 L HA -0.188 4.151 4.340 -0.002 0.000 0.207 117 L C 2.624 179.447 176.870 -0.079 0.000 1.078 117 L CA 1.803 56.658 54.840 0.024 0.000 0.749 117 L CB -0.695 41.380 42.059 0.027 0.000 0.901 117 L HN 0.342 nan 8.230 nan 0.000 0.433 118 K N 0.363 120.753 120.400 -0.016 0.000 2.032 118 K HA -0.229 4.090 4.320 -0.002 0.000 0.209 118 K C 1.614 178.090 176.600 -0.207 0.000 1.048 118 K CA 1.983 58.184 56.287 -0.143 0.000 0.927 118 K CB -0.017 32.357 32.500 -0.211 0.000 0.712 118 K HN 0.240 nan 8.250 nan 0.000 0.441 119 D N 0.262 120.580 120.400 -0.137 0.000 2.117 119 D HA -0.147 4.492 4.640 -0.002 0.000 0.197 119 D C 1.840 178.071 176.300 -0.115 0.000 0.987 119 D CA 1.634 55.562 54.000 -0.120 0.000 0.829 119 D CB -0.115 40.638 40.800 -0.079 0.000 0.961 119 D HN 0.289 nan 8.370 nan 0.000 0.460 120 V N -1.537 118.313 119.914 -0.107 0.000 3.129 120 V HA 0.065 4.184 4.120 -0.002 0.000 0.259 120 V C 1.991 178.002 176.094 -0.139 0.000 1.116 120 V CA 0.739 62.981 62.300 -0.096 0.000 1.127 120 V CB -0.549 31.239 31.823 -0.059 0.000 0.742 120 V HN 0.074 nan 8.190 nan 0.000 0.474 121 L N 0.583 121.658 121.223 -0.246 0.000 2.513 121 L HA 0.126 4.465 4.340 -0.002 0.000 0.222 121 L C 2.683 179.391 176.870 -0.271 0.000 1.096 121 L CA 1.038 55.671 54.840 -0.345 0.000 0.857 121 L CB -0.108 41.530 42.059 -0.702 0.000 1.026 121 L HN 0.487 nan 8.230 nan 0.000 0.469 122 Q N -0.209 119.471 119.800 -0.199 0.000 2.408 122 Q HA 0.067 4.406 4.340 -0.002 0.000 0.205 122 Q C 0.378 176.390 176.000 0.020 0.000 0.919 122 Q CA 0.310 56.109 55.803 -0.007 0.000 0.932 122 Q CB 0.406 29.154 28.738 0.016 0.000 1.058 122 Q HN 0.340 nan 8.270 nan 0.000 0.517 123 E N 2.255 122.441 120.200 -0.023 0.000 2.155 123 E HA 0.331 4.679 4.350 -0.002 0.000 0.264 123 E C -2.535 174.059 176.600 -0.011 0.000 0.886 123 E CA -2.972 53.421 56.400 -0.013 0.000 0.752 123 E CB 1.581 31.265 29.700 -0.027 0.000 1.133 123 E HN 0.082 nan 8.360 nan 0.000 0.414 124 P HA -0.053 nan 4.420 nan 0.000 0.262 124 P C -0.898 176.399 177.300 -0.005 0.000 1.182 124 P CA 0.494 63.596 63.100 0.004 0.000 0.761 124 P CB 0.489 32.196 31.700 0.012 0.000 0.795 125 K N 1.721 122.116 120.400 -0.008 0.000 2.221 125 K HA 0.332 4.651 4.320 -0.002 0.000 0.243 125 K C 1.035 177.632 176.600 -0.005 0.000 0.968 125 K CA -0.589 55.692 56.287 -0.010 0.000 0.846 125 K CB 1.252 33.743 32.500 -0.015 0.000 1.141 125 K HN 0.201 nan 8.250 nan 0.000 0.434 126 T N 1.021 115.572 114.554 -0.005 0.000 3.054 126 T HA -0.027 4.322 4.350 -0.002 0.000 0.259 126 T C 0.852 175.551 174.700 -0.002 0.000 1.092 126 T CA 0.960 63.059 62.100 -0.002 0.000 1.121 126 T CB 0.146 69.013 68.868 -0.002 0.000 0.912 126 T HN 0.390 nan 8.240 nan 0.000 0.489 127 E N 1.387 121.584 120.200 -0.005 0.000 2.489 127 E HA 0.067 4.415 4.350 -0.002 0.000 0.193 127 E C -0.128 176.470 176.600 -0.004 0.000 1.057 127 E CA 0.134 56.531 56.400 -0.004 0.000 0.866 127 E CB -0.131 29.565 29.700 -0.007 0.000 0.916 127 E HN 0.415 nan 8.360 nan 0.000 0.500 128 D N 1.538 121.935 120.400 -0.004 0.000 2.434 128 D HA 0.029 4.667 4.640 -0.002 0.000 0.252 128 D C 0.879 177.180 176.300 0.001 0.000 1.185 128 D CA 0.061 54.059 54.000 -0.004 0.000 0.886 128 D CB 0.465 41.262 40.800 -0.004 0.000 1.148 128 D HN 0.162 nan 8.370 nan 0.000 0.483 129 I N -0.622 119.950 120.570 0.003 0.000 3.060 129 I HA 0.007 4.176 4.170 -0.002 0.000 0.285 129 I C 1.400 177.524 176.117 0.013 0.000 1.190 129 I CA -0.909 60.397 61.300 0.010 0.000 1.363 129 I CB 0.519 38.528 38.000 0.015 0.000 1.396 129 I HN 0.054 nan 8.210 nan 0.000 0.607 130 V N 3.411 123.336 119.914 0.018 0.000 2.392 130 V HA -0.284 3.834 4.120 -0.002 0.000 0.249 130 V C 2.759 178.863 176.094 0.018 0.000 1.059 130 V CA 2.459 64.769 62.300 0.016 0.000 1.051 130 V CB -1.158 30.674 31.823 0.016 0.000 0.658 130 V HN 1.035 nan 8.190 nan 0.000 0.455 131 A N -0.599 122.248 122.820 0.045 0.000 1.940 131 A HA -0.166 4.153 4.320 -0.002 0.000 0.219 131 A C 2.365 179.925 177.584 -0.039 0.000 1.176 131 A CA 2.149 54.218 52.037 0.055 0.000 0.631 131 A CB -0.520 18.590 19.000 0.184 0.000 0.814 131 A HN 0.364 nan 8.150 nan 0.000 0.446 132 V N -0.532 119.374 119.914 -0.014 0.000 2.407 132 V HA -0.233 3.885 4.120 -0.002 0.000 0.245 132 V C 2.526 178.611 176.094 -0.015 0.000 1.041 132 V CA 1.885 64.168 62.300 -0.028 0.000 1.040 132 V CB -0.750 31.062 31.823 -0.019 0.000 0.671 132 V HN 0.627 nan 8.190 nan 0.000 0.455 133 Q N -0.111 119.690 119.800 0.001 0.000 2.152 133 Q HA -0.272 4.067 4.340 -0.002 0.000 0.206 133 Q C 2.279 178.305 176.000 0.043 0.000 0.985 133 Q CA 1.767 57.581 55.803 0.019 0.000 0.863 133 Q CB -0.184 28.566 28.738 0.019 0.000 0.904 133 Q HN 0.591 nan 8.270 nan 0.000 0.422 134 K N -0.188 120.230 120.400 0.030 0.000 2.116 134 K HA -0.022 4.297 4.320 -0.002 0.000 0.203 134 K C 2.116 178.809 176.600 0.154 0.000 1.052 134 K CA 0.889 57.238 56.287 0.103 0.000 0.952 134 K CB -0.072 32.420 32.500 -0.013 0.000 0.729 134 K HN 0.121 nan 8.250 nan 0.000 0.446 135 A N 2.114 124.938 122.820 0.008 0.000 1.902 135 A HA -0.191 4.128 4.320 -0.002 0.000 0.217 135 A C 1.917 179.527 177.584 0.043 0.000 1.181 135 A CA 1.508 53.533 52.037 -0.020 0.000 0.623 135 A CB -0.261 18.684 19.000 -0.092 0.000 0.818 135 A HN 0.178 nan 8.150 nan 0.000 0.443 136 K N -0.376 120.052 120.400 0.046 0.000 2.057 136 K HA -0.018 4.301 4.320 -0.002 0.000 0.206 136 K C 2.283 178.963 176.600 0.134 0.000 1.050 136 K CA 1.071 57.408 56.287 0.085 0.000 0.935 136 K CB -0.311 32.216 32.500 0.046 0.000 0.715 136 K HN 0.425 nan 8.250 nan 0.000 0.439 137 A N 1.251 124.140 122.820 0.115 0.000 1.972 137 A HA -0.143 4.176 4.320 -0.002 0.000 0.219 137 A C 2.055 179.685 177.584 0.077 0.000 1.169 137 A CA 1.090 53.197 52.037 0.116 0.000 0.635 137 A CB -0.383 18.710 19.000 0.155 0.000 0.810 137 A HN 0.219 nan 8.150 nan 0.000 0.446 138 L N -1.861 119.375 121.223 0.022 0.000 2.044 138 L HA -0.064 4.275 4.340 -0.002 0.000 0.205 138 L C 2.248 179.134 176.870 0.025 0.000 1.075 138 L CA 2.124 56.875 54.840 -0.149 0.000 0.747 138 L CB -0.946 40.882 42.059 -0.385 0.000 0.903 138 L HN 0.493 nan 8.230 nan 0.000 0.435 139 Y N 0.688 120.972 120.300 -0.028 0.000 2.069 139 Y HA -0.332 4.217 4.550 -0.002 0.000 0.278 139 Y C 2.740 178.624 175.900 -0.027 0.000 1.175 139 Y CA 2.234 60.329 58.100 -0.007 0.000 1.134 139 Y CB -0.252 38.212 38.460 0.007 0.000 0.965 139 Y HN 0.157 nan 8.280 nan 0.000 0.498 140 R N -0.308 120.189 120.500 -0.006 0.000 2.081 140 R HA -0.156 4.183 4.340 -0.002 0.000 0.235 140 R C 2.642 178.863 176.300 -0.132 0.000 1.131 140 R CA 1.677 57.720 56.100 -0.094 0.000 0.960 140 R CB -0.646 29.666 30.300 0.020 0.000 0.856 140 R HN 0.541 nan 8.270 nan 0.000 0.436 141 S N -0.015 115.646 115.700 -0.065 0.000 2.399 141 S HA -0.204 4.264 4.470 -0.002 0.000 0.231 141 S C 2.278 176.765 174.600 -0.188 0.000 1.022 141 S CA 1.309 59.490 58.200 -0.032 0.000 0.983 141 S CB -0.599 62.652 63.200 0.085 0.000 0.803 141 S HN 0.511 nan 8.310 nan 0.000 0.480 142 c N 1.907 120.289 118.600 -0.364 0.000 2.492 142 c HA 0.332 4.901 4.570 -0.002 0.000 0.279 142 c C 2.482 176.201 174.090 -0.619 0.000 1.335 142 c CA 0.202 56.020 56.329 -0.852 0.000 1.734 142 c CB -1.418 40.716 42.510 -0.628 0.000 2.027 142 c HN 0.779 nan 8.230 nan 0.000 0.496 143 I N -0.548 119.736 120.570 -0.476 0.000 3.251 143 I HA 0.161 4.330 4.170 -0.002 0.000 0.277 143 I C 0.777 176.752 176.117 -0.237 0.000 1.268 143 I CA 0.696 61.776 61.300 -0.368 0.000 1.449 143 I CB -0.752 36.978 38.000 -0.450 0.000 1.083 143 I HN 0.173 nan 8.210 nan 0.000 0.464 144 N N 3.083 121.655 118.700 -0.213 0.000 2.671 144 N HA 0.011 4.749 4.740 -0.002 0.000 0.274 144 N C 0.733 176.181 175.510 -0.104 0.000 1.188 144 N CA 0.263 53.239 53.050 -0.124 0.000 1.065 144 N CB 0.219 38.656 38.487 -0.083 0.000 1.415 144 N HN 0.443 nan 8.380 nan 0.000 0.511 145 E N 0.189 120.334 120.200 -0.092 0.000 2.150 145 E HA -0.171 4.177 4.350 -0.002 0.000 0.193 145 E C 1.574 178.154 176.600 -0.032 0.000 0.985 145 E CA 0.860 57.220 56.400 -0.066 0.000 0.814 145 E CB 0.143 29.811 29.700 -0.052 0.000 0.752 145 E HN 0.579 nan 8.360 nan 0.000 0.466 146 S N 1.273 116.956 115.700 -0.027 0.000 2.345 146 S HA -0.147 4.322 4.470 -0.002 0.000 0.220 146 S C 2.294 176.892 174.600 -0.005 0.000 1.031 146 S CA 1.179 59.372 58.200 -0.012 0.000 0.996 146 S CB -0.175 63.019 63.200 -0.011 0.000 0.882 146 S HN 0.268 nan 8.310 nan 0.000 0.445 147 A N 1.616 124.432 122.820 -0.007 0.000 1.892 147 A HA -0.060 4.258 4.320 -0.002 0.000 0.218 147 A C 2.270 179.863 177.584 0.015 0.000 1.188 147 A CA 1.892 53.932 52.037 0.005 0.000 0.631 147 A CB -1.004 18.000 19.000 0.007 0.000 0.822 147 A HN 0.661 nan 8.150 nan 0.000 0.447 148 I N -0.509 120.067 120.570 0.011 0.000 2.252 148 I HA -0.199 3.970 4.170 -0.002 0.000 0.245 148 I C 1.852 177.983 176.117 0.024 0.000 1.102 148 I CA 1.401 62.719 61.300 0.031 0.000 1.385 148 I CB -0.365 37.650 38.000 0.025 0.000 1.064 148 I HN 0.247 nan 8.210 nan 0.000 0.414 149 D N 0.333 120.744 120.400 0.018 0.000 2.178 149 D HA -0.142 4.497 4.640 -0.002 0.000 0.201 149 D C 2.326 178.641 176.300 0.025 0.000 0.980 149 D CA 1.725 55.742 54.000 0.027 0.000 0.842 149 D CB -0.080 40.732 40.800 0.021 0.000 0.948 149 D HN 0.347 nan 8.370 nan 0.000 0.472 150 S N -0.170 115.540 115.700 0.016 0.000 2.515 150 S HA -0.017 4.452 4.470 -0.002 0.000 0.231 150 S C 1.757 176.362 174.600 0.009 0.000 0.987 150 S CA 0.248 58.456 58.200 0.014 0.000 0.936 150 S CB 0.038 63.245 63.200 0.011 0.000 0.766 150 S HN 0.081 nan 8.310 nan 0.000 0.528 151 R N 0.823 121.324 120.500 0.002 0.000 2.300 151 R HA 0.316 4.655 4.340 -0.002 0.000 0.199 151 R C 1.818 178.094 176.300 -0.040 0.000 0.920 151 R CA 0.468 56.554 56.100 -0.023 0.000 1.046 151 R CB -0.408 29.870 30.300 -0.036 0.000 0.984 151 R HN 0.548 nan 8.270 nan 0.000 0.493 152 G N 0.077 108.877 108.800 0.000 0.000 2.651 152 G HA2 -0.383 3.576 3.960 -0.002 0.000 0.315 152 G HA3 -0.383 3.576 3.960 -0.002 0.000 0.315 152 G C 0.676 175.535 174.900 -0.068 0.000 1.258 152 G CA 0.165 45.292 45.100 0.045 0.000 1.002 152 G HN 0.449 nan 8.290 nan 0.000 0.551 153 G N -0.190 108.547 108.800 -0.105 0.000 3.277 153 G HA2 0.423 4.382 3.960 -0.002 0.000 0.243 153 G HA3 0.423 4.382 3.960 -0.002 0.000 0.243 153 G C 1.061 175.752 174.900 -0.347 0.000 1.107 153 G CA 1.417 46.233 45.100 -0.474 0.000 0.771 153 G HN 0.940 nan 8.290 nan 0.000 0.544 154 E N 2.027 122.101 120.200 -0.209 0.000 2.097 154 E HA -0.105 4.244 4.350 -0.002 0.000 0.196 154 E C -0.090 176.367 176.600 -0.238 0.000 1.000 154 E CA 1.621 57.927 56.400 -0.157 0.000 0.804 154 E CB -0.663 28.983 29.700 -0.090 0.000 0.740 154 E HN 0.339 nan 8.360 nan 0.000 0.454 155 P HA -0.141 nan 4.420 nan 0.000 0.216 155 P C 1.549 178.453 177.300 -0.661 0.000 1.150 155 P CA 0.999 63.772 63.100 -0.545 0.000 0.837 155 P CB -0.093 31.069 31.700 -0.897 0.000 0.786 156 L N -1.009 119.751 121.223 -0.771 0.000 2.027 156 L HA -0.141 4.197 4.340 -0.002 0.000 0.206 156 L C 2.311 179.064 176.870 -0.196 0.000 1.074 156 L CA 1.589 56.159 54.840 -0.451 0.000 0.745 156 L CB -0.794 40.994 42.059 -0.451 0.000 0.898 156 L HN -0.047 nan 8.230 nan 0.000 0.433 157 L N 0.280 121.405 121.223 -0.163 0.000 2.043 157 L HA -0.285 4.053 4.340 -0.002 0.000 0.212 157 L C 2.685 179.552 176.870 -0.005 0.000 1.075 157 L CA 1.971 56.788 54.840 -0.040 0.000 0.752 157 L CB -0.685 41.361 42.059 -0.022 0.000 0.891 157 L HN 0.386 nan 8.230 nan 0.000 0.432 158 K N 0.585 120.965 120.400 -0.032 0.000 2.365 158 K HA -0.162 4.157 4.320 -0.002 0.000 0.199 158 K C 2.017 178.647 176.600 0.050 0.000 1.045 158 K CA 1.067 57.362 56.287 0.014 0.000 0.962 158 K CB -0.015 32.488 32.500 0.004 0.000 0.759 158 K HN 0.269 nan 8.250 nan 0.000 0.469 159 L N 0.721 121.968 121.223 0.040 0.000 2.209 159 L HA -0.006 4.333 4.340 -0.002 0.000 0.207 159 L C 1.935 178.851 176.870 0.076 0.000 1.094 159 L CA 0.416 55.309 54.840 0.088 0.000 0.790 159 L CB -0.109 42.013 42.059 0.105 0.000 0.932 159 L HN 0.074 nan 8.230 nan 0.000 0.447 160 L N 0.637 121.902 121.223 0.070 0.000 2.046 160 L HA -0.083 4.256 4.340 -0.002 0.000 0.208 160 L C -0.277 176.687 176.870 0.158 0.000 1.077 160 L CA 2.001 56.905 54.840 0.107 0.000 0.747 160 L CB -2.282 39.863 42.059 0.143 0.000 0.896 160 L HN 0.176 nan 8.230 nan 0.000 0.432 161 P HA -0.184 nan 4.420 nan 0.000 0.217 161 P C 1.037 178.415 177.300 0.129 0.000 1.148 161 P CA 1.483 64.716 63.100 0.222 0.000 0.834 161 P CB 0.059 31.860 31.700 0.168 0.000 0.783 162 D N -1.039 119.422 120.400 0.102 0.000 2.349 162 D HA -0.027 4.612 4.640 -0.002 0.000 0.224 162 D C 1.165 177.513 176.300 0.080 0.000 1.029 162 D CA 0.309 54.360 54.000 0.086 0.000 0.879 162 D CB -0.415 40.501 40.800 0.193 0.000 0.906 162 D HN 0.243 nan 8.370 nan 0.000 0.528 163 I N -4.621 115.997 120.570 0.079 0.000 3.947 163 I HA 0.282 4.450 4.170 -0.002 0.000 0.327 163 I C -0.494 175.807 176.117 0.307 0.000 1.519 163 I CA -0.575 60.829 61.300 0.174 0.000 1.122 163 I CB -0.121 37.950 38.000 0.119 0.000 1.146 163 I HN -0.183 nan 8.210 nan 0.000 0.442 164 Y N 1.186 121.543 120.300 0.096 0.000 4.644 164 Y HA -0.096 4.453 4.550 -0.002 0.000 0.241 164 Y C 1.082 176.855 175.900 -0.212 0.000 1.077 164 Y CA 0.892 58.891 58.100 -0.169 0.000 2.080 164 Y CB -1.721 36.830 38.460 0.150 0.000 1.613 164 Y HN 0.844 nan 8.280 nan 0.000 0.686 165 G N -1.193 107.704 108.800 0.161 0.000 2.712 165 G HA2 -0.080 3.878 3.960 -0.002 0.000 0.683 165 G HA3 -0.080 3.878 3.960 -0.002 0.000 0.683 165 G C -1.220 173.903 174.900 0.373 0.000 1.320 165 G CA -0.550 44.753 45.100 0.338 0.000 0.847 165 G HN 0.647 nan 8.290 nan 0.000 0.553 166 W N 2.654 124.021 121.300 0.111 0.000 2.391 166 W HA 0.650 5.309 4.660 -0.002 0.000 0.312 166 W C -1.877 174.570 176.519 -0.120 0.000 1.003 166 W CA -2.545 54.782 57.345 -0.029 0.000 1.375 166 W CB 1.419 30.889 29.460 0.016 0.000 1.253 166 W HN 0.394 nan 8.180 nan 0.000 0.416 167 P HA -0.248 nan 4.420 nan 0.000 0.216 167 P C 1.827 178.887 177.300 -0.399 0.000 1.153 167 P CA 1.665 64.415 63.100 -0.583 0.000 0.858 167 P CB 0.139 31.140 31.700 -1.165 0.000 0.789 168 V N -0.470 119.059 119.914 -0.641 0.000 2.688 168 V HA -0.148 3.971 4.120 -0.002 0.000 0.256 168 V C 1.739 177.530 176.094 -0.506 0.000 1.084 168 V CA 2.264 64.191 62.300 -0.622 0.000 1.103 168 V CB -1.220 30.069 31.823 -0.890 0.000 0.688 168 V HN 0.108 nan 8.190 nan 0.000 0.480 169 A N -1.163 121.385 122.820 -0.453 0.000 2.430 169 A HA 0.414 4.733 4.320 -0.002 0.000 0.243 169 A C 0.919 178.499 177.584 -0.007 0.000 1.254 169 A CA 0.491 52.413 52.037 -0.192 0.000 0.914 169 A CB -0.022 18.960 19.000 -0.030 0.000 0.998 169 A HN 0.539 nan 8.150 nan 0.000 0.515 170 T N 0.787 115.352 114.554 0.018 0.000 2.940 170 T HA 0.470 4.819 4.350 -0.002 0.000 0.288 170 T C -0.446 174.309 174.700 0.091 0.000 1.045 170 T CA -0.814 61.362 62.100 0.126 0.000 1.018 170 T CB 1.334 70.382 68.868 0.301 0.000 1.151 170 T HN 0.456 nan 8.240 nan 0.000 0.529 171 E N 1.132 121.393 120.200 0.103 0.000 2.266 171 E HA 0.259 4.608 4.350 -0.002 0.000 0.277 171 E C -0.504 176.170 176.600 0.123 0.000 1.018 171 E CA -0.866 55.584 56.400 0.083 0.000 0.840 171 E CB 0.395 30.125 29.700 0.050 0.000 1.082 171 E HN 0.591 nan 8.360 nan 0.000 0.395 172 N N 1.195 119.961 118.700 0.110 0.000 2.740 172 N HA -0.213 4.526 4.740 -0.002 0.000 0.248 172 N C -0.113 175.488 175.510 0.150 0.000 1.062 172 N CA 0.958 54.067 53.050 0.099 0.000 0.704 172 N CB -1.337 37.175 38.487 0.042 0.000 0.968 172 N HN 0.848 nan 8.380 nan 0.000 0.547 173 W N 1.008 122.340 121.300 0.052 0.000 2.363 173 W HA -0.127 4.532 4.660 -0.002 0.000 0.296 173 W C 1.874 178.484 176.519 0.151 0.000 1.212 173 W CA 1.855 59.284 57.345 0.140 0.000 1.260 173 W CB 0.030 29.549 29.460 0.098 0.000 1.131 173 W HN 0.192 nan 8.180 nan 0.000 0.530 174 E N -0.164 120.147 120.200 0.184 0.000 2.110 174 E HA -0.261 4.087 4.350 -0.002 0.000 0.193 174 E C 2.192 178.701 176.600 -0.152 0.000 0.988 174 E CA 1.587 57.968 56.400 -0.032 0.000 0.804 174 E CB -0.445 29.318 29.700 0.106 0.000 0.745 174 E HN 0.247 nan 8.360 nan 0.000 0.458 175 Q N 0.191 119.938 119.800 -0.087 0.000 2.137 175 Q HA -0.049 4.290 4.340 -0.002 0.000 0.198 175 Q C 1.957 177.855 176.000 -0.170 0.000 0.960 175 Q CA 0.978 56.723 55.803 -0.096 0.000 0.847 175 Q CB 0.019 28.725 28.738 -0.053 0.000 0.915 175 Q HN 0.132 nan 8.270 nan 0.000 0.448 176 K N -0.443 119.811 120.400 -0.243 0.000 2.044 176 K HA -0.174 4.144 4.320 -0.002 0.000 0.210 176 K C 1.148 177.394 176.600 -0.589 0.000 1.049 176 K CA 1.569 57.587 56.287 -0.448 0.000 0.927 176 K CB -0.062 32.089 32.500 -0.581 0.000 0.713 176 K HN 0.177 nan 8.250 nan 0.000 0.443 177 Y N -1.194 118.886 120.300 -0.366 0.000 2.584 177 Y HA 0.248 4.796 4.550 -0.002 0.000 0.254 177 Y C 1.711 177.507 175.900 -0.172 0.000 1.177 177 Y CA -0.257 57.680 58.100 -0.272 0.000 1.216 177 Y CB 0.428 38.600 38.460 -0.481 0.000 1.172 177 Y HN 0.064 nan 8.280 nan 0.000 0.529 178 G N 0.525 109.271 108.800 -0.089 0.000 2.469 178 G HA2 -0.305 3.654 3.960 -0.002 0.000 0.219 178 G HA3 -0.305 3.654 3.960 -0.002 0.000 0.219 178 G C 1.844 176.773 174.900 0.049 0.000 1.150 178 G CA 1.180 46.267 45.100 -0.022 0.000 0.763 178 G HN 0.446 nan 8.290 nan 0.000 0.561 179 A N 0.561 123.403 122.820 0.036 0.000 1.968 179 A HA 0.150 4.469 4.320 -0.002 0.000 0.217 179 A C 2.609 180.257 177.584 0.107 0.000 1.169 179 A CA 2.291 54.360 52.037 0.053 0.000 0.638 179 A CB -0.214 18.798 19.000 0.021 0.000 0.812 179 A HN 0.630 nan 8.150 nan 0.000 0.446 180 S N -3.130 112.681 115.700 0.184 0.000 2.545 180 S HA 0.057 4.526 4.470 -0.002 0.000 0.232 180 S C 0.392 175.168 174.600 0.294 0.000 1.070 180 S CA -0.361 58.002 58.200 0.272 0.000 0.923 180 S CB -0.596 62.836 63.200 0.387 0.000 0.806 180 S HN 0.550 nan 8.310 nan 0.000 0.506 181 W N 4.471 125.838 121.300 0.111 0.000 2.308 181 W HA 0.464 5.123 4.660 -0.002 0.000 0.324 181 W C 0.024 176.491 176.519 -0.086 0.000 1.387 181 W CA 0.876 58.178 57.345 -0.071 0.000 1.250 181 W CB 0.523 29.955 29.460 -0.046 0.000 1.257 181 W HN 0.333 nan 8.180 nan 0.000 0.554 182 T N 1.993 116.086 114.554 -0.768 0.000 2.896 182 T HA 0.602 4.951 4.350 -0.002 0.000 0.297 182 T C 0.640 174.377 174.700 -1.605 0.000 1.108 182 T CA -0.335 61.225 62.100 -0.900 0.000 1.004 182 T CB 1.455 70.093 68.868 -0.384 0.000 1.159 182 T HN 0.593 nan 8.240 nan 0.000 0.499 183 A N 0.845 122.940 122.820 -1.208 0.000 1.908 183 A HA -0.066 4.253 4.320 -0.002 0.000 0.218 183 A C 2.019 179.360 177.584 -0.405 0.000 1.181 183 A CA 2.147 53.771 52.037 -0.688 0.000 0.627 183 A CB -1.204 17.714 19.000 -0.137 0.000 0.818 183 A HN 0.969 nan 8.150 nan 0.000 0.445 184 E N -0.152 119.846 120.200 -0.336 0.000 2.070 184 E HA -0.197 4.152 4.350 -0.002 0.000 0.197 184 E C 2.115 178.643 176.600 -0.120 0.000 1.004 184 E CA 1.814 58.049 56.400 -0.275 0.000 0.805 184 E CB -0.115 29.326 29.700 -0.433 0.000 0.744 184 E HN 0.595 nan 8.360 nan 0.000 0.451 185 K N -0.429 119.787 120.400 -0.308 0.000 2.116 185 K HA 0.064 4.383 4.320 -0.002 0.000 0.203 185 K C 2.112 178.563 176.600 -0.248 0.000 1.052 185 K CA 0.844 56.996 56.287 -0.224 0.000 0.952 185 K CB 0.039 32.378 32.500 -0.269 0.000 0.729 185 K HN 0.088 nan 8.250 nan 0.000 0.446 186 A N 1.395 123.858 122.820 -0.594 0.000 1.897 186 A HA -0.072 4.247 4.320 -0.002 0.000 0.215 186 A C 2.054 179.607 177.584 -0.052 0.000 1.181 186 A CA 0.971 52.744 52.037 -0.441 0.000 0.620 186 A CB -0.462 18.145 19.000 -0.656 0.000 0.821 186 A HN 0.134 nan 8.150 nan 0.000 0.443 187 I N -0.015 120.520 120.570 -0.059 0.000 2.226 187 I HA -0.280 3.888 4.170 -0.002 0.000 0.245 187 I C 2.885 179.148 176.117 0.242 0.000 1.100 187 I CA 1.141 62.495 61.300 0.090 0.000 1.374 187 I CB -0.273 37.724 38.000 -0.005 0.000 1.057 187 I HN 0.343 nan 8.210 nan 0.000 0.413 188 A N -0.266 122.724 122.820 0.284 0.000 1.929 188 A HA -0.174 4.145 4.320 -0.002 0.000 0.216 188 A C 2.323 179.972 177.584 0.109 0.000 1.176 188 A CA 1.103 53.261 52.037 0.201 0.000 0.628 188 A CB -0.373 18.703 19.000 0.128 0.000 0.816 188 A HN 0.361 nan 8.150 nan 0.000 0.444 189 Q N -0.416 119.476 119.800 0.153 0.000 2.079 189 Q HA -0.056 4.283 4.340 -0.002 0.000 0.200 189 Q C 2.165 178.276 176.000 0.186 0.000 0.974 189 Q CA 1.132 57.043 55.803 0.181 0.000 0.840 189 Q CB -0.284 28.638 28.738 0.306 0.000 0.898 189 Q HN 0.709 nan 8.270 nan 0.000 0.430 190 L N 1.305 122.621 121.223 0.155 0.000 2.046 190 L HA -0.204 4.134 4.340 -0.002 0.000 0.208 190 L C 2.442 179.313 176.870 0.002 0.000 1.077 190 L CA 1.087 55.956 54.840 0.049 0.000 0.747 190 L CB -0.480 41.571 42.059 -0.013 0.000 0.896 190 L HN 0.306 nan 8.230 nan 0.000 0.432 191 N N -0.285 118.440 118.700 0.041 0.000 2.106 191 N HA -0.184 4.555 4.740 -0.002 0.000 0.188 191 N C 1.909 177.406 175.510 -0.022 0.000 1.029 191 N CA 2.052 55.115 53.050 0.023 0.000 0.848 191 N CB 0.110 38.641 38.487 0.073 0.000 1.007 191 N HN 0.379 nan 8.380 nan 0.000 0.423 192 S N -1.073 114.606 115.700 -0.034 0.000 2.456 192 S HA 0.178 4.647 4.470 -0.002 0.000 0.224 192 S C 1.875 176.396 174.600 -0.132 0.000 1.035 192 S CA 0.174 58.328 58.200 -0.078 0.000 0.940 192 S CB 0.206 63.360 63.200 -0.076 0.000 0.799 192 S HN 0.188 nan 8.310 nan 0.000 0.508 193 K N -0.809 119.474 120.400 -0.193 0.000 2.308 193 K HA 0.282 4.601 4.320 -0.002 0.000 0.197 193 K C 0.324 176.570 176.600 -0.590 0.000 1.049 193 K CA 0.448 56.468 56.287 -0.445 0.000 0.991 193 K CB 0.225 32.334 32.500 -0.652 0.000 0.836 193 K HN 0.465 nan 8.250 nan 0.000 0.500 194 Y N -1.602 118.613 120.300 -0.141 0.000 2.499 194 Y HA 0.251 4.800 4.550 -0.002 0.000 0.253 194 Y C 1.010 176.760 175.900 -0.250 0.000 1.105 194 Y CA 0.011 57.967 58.100 -0.240 0.000 1.240 194 Y CB 1.505 39.606 38.460 -0.597 0.000 1.289 194 Y HN 0.103 nan 8.280 nan 0.000 0.534 195 G N 1.099 109.859 108.800 -0.065 0.000 2.168 195 G HA2 -0.349 3.610 3.960 -0.002 0.000 0.257 195 G HA3 -0.349 3.610 3.960 -0.002 0.000 0.257 195 G C 0.179 175.043 174.900 -0.059 0.000 0.997 195 G CA 0.446 45.518 45.100 -0.046 0.000 0.708 195 G HN 0.169 nan 8.290 nan 0.000 0.520 196 K N 0.949 121.263 120.400 -0.145 0.000 2.262 196 K HA 0.490 4.809 4.320 -0.002 0.000 0.282 196 K C 0.106 176.683 176.600 -0.039 0.000 1.066 196 K CA -0.719 55.492 56.287 -0.125 0.000 0.901 196 K CB 0.511 32.825 32.500 -0.309 0.000 1.089 196 K HN 0.025 nan 8.250 nan 0.000 0.476 197 K N 4.314 124.721 120.400 0.011 0.000 2.292 197 K HA 0.279 4.598 4.320 -0.002 0.000 0.270 197 K C -0.545 176.091 176.600 0.059 0.000 1.062 197 K CA -0.700 55.622 56.287 0.059 0.000 0.916 197 K CB 0.623 33.168 32.500 0.076 0.000 1.166 197 K HN 0.459 nan 8.250 nan 0.000 0.458 198 V N 0.372 120.326 119.914 0.068 0.000 2.769 198 V HA 0.478 4.596 4.120 -0.002 0.000 0.312 198 V C 1.152 177.277 176.094 0.051 0.000 1.061 198 V CA -1.055 61.279 62.300 0.057 0.000 0.931 198 V CB 1.388 33.242 31.823 0.052 0.000 1.010 198 V HN 0.786 nan 8.190 nan 0.000 0.433 199 L N 0.971 122.223 121.223 0.050 0.000 3.363 199 L HA -0.250 4.088 4.340 -0.002 0.000 0.346 199 L C 0.323 177.251 176.870 0.098 0.000 3.762 199 L CA 2.141 57.005 54.840 0.040 0.000 1.796 199 L CB -1.195 40.827 42.059 -0.061 0.000 3.000 199 L HN 0.689 nan 8.230 nan 0.000 0.779 200 I N 0.306 120.906 120.570 0.050 0.000 2.478 200 I HA 0.278 4.447 4.170 -0.002 0.000 0.287 200 I C -0.180 176.075 176.117 0.231 0.000 1.042 200 I CA -0.335 61.045 61.300 0.134 0.000 1.067 200 I CB 1.755 39.731 38.000 -0.040 0.000 1.233 200 I HN 0.090 nan 8.210 nan 0.000 0.431 201 N N 6.789 125.634 118.700 0.242 0.000 2.437 201 N HA 0.228 4.967 4.740 -0.002 0.000 0.243 201 N C -1.263 174.450 175.510 0.338 0.000 1.041 201 N CA -0.371 52.847 53.050 0.280 0.000 0.940 201 N CB 0.792 39.434 38.487 0.258 0.000 1.133 201 N HN 0.384 nan 8.380 nan 0.000 0.506 202 L N 5.935 127.352 121.223 0.323 0.000 2.275 202 L HA 0.633 4.972 4.340 -0.002 0.000 0.288 202 L C -1.272 175.702 176.870 0.174 0.000 1.046 202 L CA -0.628 54.320 54.840 0.181 0.000 0.805 202 L CB -0.454 41.648 42.059 0.072 0.000 1.193 202 L HN 0.453 nan 8.230 nan 0.000 0.426 203 F N 3.769 123.720 119.950 0.002 0.000 2.608 203 F HA 0.635 5.161 4.527 -0.002 0.000 0.309 203 F C -1.087 174.623 175.800 -0.151 0.000 1.103 203 F CA -1.293 56.661 58.000 -0.076 0.000 0.954 203 F CB 0.684 39.638 39.000 -0.077 0.000 1.267 203 F HN 0.075 nan 8.300 nan 0.000 0.444 204 V N 3.487 123.377 119.914 -0.039 0.000 2.479 204 V HA 0.653 4.772 4.120 -0.002 0.000 0.281 204 V C 0.579 176.606 176.094 -0.113 0.000 1.031 204 V CA 0.754 62.968 62.300 -0.144 0.000 1.038 204 V CB 0.127 31.875 31.823 -0.125 0.000 0.981 204 V HN 1.187 nan 8.190 nan 0.000 0.478 205 G N 3.121 111.718 108.800 -0.338 0.000 2.921 205 G HA2 0.531 4.490 3.960 -0.002 0.000 0.291 205 G HA3 0.531 4.490 3.960 -0.002 0.000 0.291 205 G C -0.542 174.321 174.900 -0.061 0.000 1.370 205 G CA -0.584 44.378 45.100 -0.230 0.000 0.847 205 G HN 0.491 nan 8.290 nan 0.000 0.532 206 T N 1.110 115.730 114.554 0.109 0.000 2.930 206 T HA 0.226 4.575 4.350 -0.002 0.000 0.306 206 T C -0.222 174.676 174.700 0.331 0.000 1.045 206 T CA 0.285 62.547 62.100 0.269 0.000 1.134 206 T CB 0.954 69.941 68.868 0.197 0.000 0.961 206 T HN 0.394 nan 8.240 nan 0.000 0.545 207 D N 1.873 122.450 120.400 0.296 0.000 2.325 207 D HA 0.045 4.684 4.640 -0.002 0.000 0.251 207 D C 0.748 177.228 176.300 0.300 0.000 1.196 207 D CA -0.387 53.808 54.000 0.325 0.000 0.866 207 D CB 0.792 41.728 40.800 0.227 0.000 1.101 207 D HN 0.394 nan 8.370 nan 0.000 0.476 208 D N 3.031 123.664 120.400 0.388 0.000 2.221 208 D HA -0.139 4.500 4.640 -0.002 0.000 0.204 208 D C 1.049 177.398 176.300 0.081 0.000 0.982 208 D CA 1.014 55.212 54.000 0.330 0.000 0.857 208 D CB 0.428 41.447 40.800 0.365 0.000 0.934 208 D HN 0.478 nan 8.370 nan 0.000 0.475 209 K N -0.217 120.126 120.400 -0.095 0.000 2.358 209 K HA 0.074 4.393 4.320 -0.002 0.000 0.197 209 K C 0.335 176.928 176.600 -0.012 0.000 1.025 209 K CA -0.097 56.086 56.287 -0.174 0.000 1.104 209 K CB 0.745 33.020 32.500 -0.376 0.000 0.855 209 K HN -0.112 nan 8.250 nan 0.000 0.531 210 N N 0.547 119.283 118.700 0.060 0.000 2.685 210 N HA -0.000 4.738 4.740 -0.002 0.000 0.252 210 N C 0.105 175.653 175.510 0.064 0.000 1.261 210 N CA 0.060 53.143 53.050 0.055 0.000 0.768 210 N CB 1.256 39.773 38.487 0.049 0.000 1.304 210 N HN -0.034 nan 8.380 nan 0.000 0.536 211 S N -0.366 115.371 115.700 0.063 0.000 2.547 211 S HA -0.095 4.374 4.470 -0.002 0.000 0.235 211 S C 1.671 176.281 174.600 0.016 0.000 0.980 211 S CA 0.887 59.125 58.200 0.063 0.000 0.941 211 S CB -0.291 62.943 63.200 0.056 0.000 0.763 211 S HN 0.310 nan 8.310 nan 0.000 0.532 212 V N -1.301 118.606 119.914 -0.012 0.000 3.649 212 V HA 0.362 4.481 4.120 -0.002 0.000 0.275 212 V C 0.070 176.084 176.094 -0.133 0.000 1.281 212 V CA -0.241 62.023 62.300 -0.060 0.000 1.143 212 V CB -0.738 31.056 31.823 -0.048 0.000 0.892 212 V HN 0.347 nan 8.190 nan 0.000 0.441 213 N N -0.251 118.384 118.700 -0.108 0.000 2.453 213 N HA 0.500 5.239 4.740 -0.002 0.000 0.290 213 N C -1.366 174.073 175.510 -0.120 0.000 1.250 213 N CA -0.486 52.458 53.050 -0.176 0.000 0.815 213 N CB 1.549 40.001 38.487 -0.058 0.000 1.381 213 N HN 0.522 nan 8.380 nan 0.000 0.510 214 H N -0.872 118.211 119.070 0.022 0.000 2.492 214 H HA 0.596 5.151 4.556 -0.002 0.000 0.345 214 H C -0.443 174.899 175.328 0.024 0.000 1.136 214 H CA -0.960 55.098 56.048 0.018 0.000 1.202 214 H CB 1.660 31.413 29.762 -0.016 0.000 1.524 214 H HN 0.109 nan 8.280 nan 0.000 0.506 215 V N 2.058 122.079 119.914 0.178 0.000 3.046 215 V HA 0.335 4.453 4.120 -0.002 0.000 0.316 215 V C 0.285 176.407 176.094 0.047 0.000 1.104 215 V CA -1.155 61.211 62.300 0.110 0.000 1.006 215 V CB 2.104 34.006 31.823 0.131 0.000 1.058 215 V HN 0.629 nan 8.190 nan 0.000 0.440 216 I N 2.095 122.659 120.570 -0.010 0.000 2.556 216 I HA 0.243 4.412 4.170 -0.002 0.000 0.284 216 I C -0.234 175.831 176.117 -0.086 0.000 1.114 216 I CA 0.211 61.459 61.300 -0.087 0.000 1.418 216 I CB 0.185 38.133 38.000 -0.087 0.000 1.394 216 I HN 0.630 nan 8.210 nan 0.000 0.552 217 H N 6.100 124.773 119.070 -0.663 0.000 2.499 217 H HA 0.571 5.125 4.556 -0.002 0.000 0.340 217 H C -0.414 174.550 175.328 -0.607 0.000 1.148 217 H CA -0.622 54.873 56.048 -0.921 0.000 1.215 217 H CB 1.543 30.136 29.762 -1.947 0.000 1.529 217 H HN 0.259 nan 8.280 nan 0.000 0.510 218 I N 2.150 122.532 120.570 -0.314 0.000 2.465 218 I HA 0.282 4.451 4.170 -0.002 0.000 0.291 218 I C -0.258 175.862 176.117 0.004 0.000 1.014 218 I CA -0.403 60.863 61.300 -0.056 0.000 1.093 218 I CB 1.733 39.741 38.000 0.013 0.000 1.267 218 I HN 0.556 nan 8.210 nan 0.000 0.431 219 D N 3.516 124.017 120.400 0.168 0.000 2.596 219 D HA 0.258 4.897 4.640 -0.002 0.000 0.262 219 D C -0.886 175.477 176.300 0.105 0.000 1.210 219 D CA -0.360 53.764 54.000 0.207 0.000 0.873 219 D CB 2.000 43.042 40.800 0.403 0.000 1.408 219 D HN 0.518 nan 8.370 nan 0.000 0.441 220 Q N 0.674 120.417 119.800 -0.096 0.000 2.392 220 Q HA 0.448 4.787 4.340 -0.002 0.000 0.262 220 Q C -2.218 173.649 176.000 -0.222 0.000 1.003 220 Q CA -1.258 54.239 55.803 -0.510 0.000 0.888 220 Q CB 0.633 28.812 28.738 -0.932 0.000 1.260 220 Q HN 0.130 nan 8.270 nan 0.000 0.435 221 P HA 0.191 nan 4.420 nan 0.000 0.278 221 P C -0.849 176.410 177.300 -0.069 0.000 1.258 221 P CA -0.493 62.572 63.100 -0.059 0.000 0.811 221 P CB 0.875 32.572 31.700 -0.004 0.000 1.063 222 R N 0.401 120.891 120.500 -0.016 0.000 2.738 222 R HA 0.362 4.701 4.340 -0.002 0.000 0.268 222 R C 0.260 176.574 176.300 0.024 0.000 1.062 222 R CA -0.359 55.742 56.100 0.003 0.000 1.158 222 R CB -0.140 30.173 30.300 0.022 0.000 1.046 222 R HN 0.429 nan 8.270 nan 0.000 0.493 223 L N -0.286 120.968 121.223 0.050 0.000 2.358 223 L HA 0.336 4.675 4.340 -0.002 0.000 0.268 223 L C 1.756 178.713 176.870 0.145 0.000 1.032 223 L CA -0.398 54.505 54.840 0.106 0.000 0.805 223 L CB 1.314 43.460 42.059 0.145 0.000 1.253 223 L HN 0.815 nan 8.230 nan 0.000 0.452 224 G N 1.070 110.007 108.800 0.228 0.000 2.422 224 G HA2 -0.026 3.933 3.960 -0.002 0.000 0.218 224 G HA3 -0.026 3.933 3.960 -0.002 0.000 0.218 224 G C 0.601 175.501 174.900 -0.000 0.000 1.146 224 G CA 0.335 45.552 45.100 0.194 0.000 0.769 224 G HN 0.261 nan 8.290 nan 0.000 0.547 225 L N 0.092 121.244 121.223 -0.120 0.000 2.399 225 L HA 0.274 4.612 4.340 -0.002 0.000 0.265 225 L C -1.269 175.423 176.870 -0.297 0.000 1.089 225 L CA -1.996 52.619 54.840 -0.374 0.000 0.802 225 L CB 1.843 43.486 42.059 -0.693 0.000 1.180 225 L HN -0.106 nan 8.230 nan 0.000 0.454 226 P HA -0.088 nan 4.420 nan 0.000 0.218 226 P C -0.092 177.128 177.300 -0.134 0.000 1.149 226 P CA 0.803 63.697 63.100 -0.343 0.000 0.817 226 P CB 0.249 31.653 31.700 -0.494 0.000 0.785 227 S N -2.405 113.245 115.700 -0.084 0.000 2.671 227 S HA 0.357 4.826 4.470 -0.002 0.000 0.277 227 S C 1.007 175.727 174.600 0.201 0.000 1.165 227 S CA -0.924 57.337 58.200 0.102 0.000 0.822 227 S CB 1.444 64.733 63.200 0.148 0.000 1.150 227 S HN 0.042 nan 8.310 nan 0.000 0.479 228 R N 0.336 120.933 120.500 0.162 0.000 2.148 228 R HA -0.047 4.292 4.340 -0.002 0.000 0.227 228 R C 0.397 176.798 176.300 0.169 0.000 1.103 228 R CA 1.991 58.205 56.100 0.191 0.000 0.983 228 R CB -1.135 29.213 30.300 0.080 0.000 0.874 228 R HN 0.680 nan 8.270 nan 0.000 0.451 229 D N 0.534 120.956 120.400 0.036 0.000 2.178 229 D HA -0.160 4.479 4.640 -0.002 0.000 0.201 229 D C 1.206 177.158 176.300 -0.579 0.000 0.980 229 D CA 1.086 54.961 54.000 -0.209 0.000 0.842 229 D CB -0.261 40.397 40.800 -0.237 0.000 0.948 229 D HN 0.246 nan 8.370 nan 0.000 0.472 230 Y N -0.487 119.445 120.300 -0.612 0.000 2.333 230 Y HA -0.166 4.383 4.550 -0.002 0.000 0.290 230 Y C 1.247 176.852 175.900 -0.491 0.000 1.144 230 Y CA 0.875 58.515 58.100 -0.766 0.000 1.228 230 Y CB -0.428 37.721 38.460 -0.518 0.000 0.985 230 Y HN 0.145 nan 8.280 nan 0.000 0.542 231 Y N -0.102 120.167 120.300 -0.053 0.000 2.529 231 Y HA -0.052 4.497 4.550 -0.002 0.000 0.290 231 Y C 1.738 177.647 175.900 0.015 0.000 1.177 231 Y CA 0.235 58.353 58.100 0.029 0.000 1.305 231 Y CB -0.441 38.049 38.460 0.050 0.000 1.047 231 Y HN 0.249 nan 8.280 nan 0.000 0.522 232 E N -1.260 118.965 120.200 0.043 0.000 2.110 232 E HA -0.200 4.149 4.350 -0.002 0.000 0.193 232 E C 1.105 177.763 176.600 0.096 0.000 0.988 232 E CA 1.237 57.675 56.400 0.063 0.000 0.804 232 E CB -0.260 29.470 29.700 0.049 0.000 0.745 232 E HN 0.397 nan 8.360 nan 0.000 0.458 233 c N 1.202 119.857 118.600 0.093 0.000 4.358 233 c HA -0.140 4.428 4.570 -0.002 0.000 0.287 233 c C 0.834 174.997 174.090 0.120 0.000 1.414 233 c CA 0.855 57.256 56.329 0.120 0.000 1.949 233 c CB -2.995 39.585 42.510 0.116 0.000 1.274 233 c HN 0.635 nan 8.230 nan 0.000 0.793 234 T N -2.593 112.044 114.554 0.137 0.000 2.942 234 T HA 0.699 5.047 4.350 -0.002 0.000 0.289 234 T C 1.027 175.756 174.700 0.048 0.000 1.044 234 T CA 0.556 62.708 62.100 0.086 0.000 1.023 234 T CB 1.969 70.880 68.868 0.071 0.000 1.123 234 T HN 2.147 nan 8.240 nan 0.000 0.512 235 G N 1.870 110.665 108.800 -0.010 0.000 2.660 235 G HA2 -0.353 3.606 3.960 -0.002 0.000 0.321 235 G HA3 -0.353 3.606 3.960 -0.002 0.000 0.321 235 G C 1.088 175.887 174.900 -0.168 0.000 1.246 235 G CA 0.829 45.880 45.100 -0.081 0.000 1.000 235 G HN 1.789 nan 8.290 nan 0.000 0.550 236 I N -1.826 118.532 120.570 -0.354 0.000 3.083 236 I HA 0.136 4.305 4.170 -0.002 0.000 0.273 236 I C 1.886 177.659 176.117 -0.574 0.000 1.297 236 I CA 1.737 62.738 61.300 -0.498 0.000 1.452 236 I CB -0.331 37.267 38.000 -0.670 0.000 1.078 236 I HN 0.388 nan 8.210 nan 0.000 0.484 237 Y N 0.942 121.136 120.300 -0.178 0.000 2.445 237 Y HA 0.253 4.802 4.550 -0.002 0.000 0.247 237 Y C 2.263 178.125 175.900 -0.062 0.000 1.129 237 Y CA -0.379 57.593 58.100 -0.214 0.000 1.251 237 Y CB -0.159 38.130 38.460 -0.285 0.000 1.176 237 Y HN 0.074 nan 8.280 nan 0.000 0.522 238 K N 1.286 121.728 120.400 0.070 0.000 2.002 238 K HA -0.242 4.077 4.320 -0.002 0.000 0.209 238 K C 2.077 178.733 176.600 0.093 0.000 1.048 238 K CA 1.985 58.320 56.287 0.079 0.000 0.930 238 K CB 0.070 32.595 32.500 0.043 0.000 0.714 238 K HN 0.141 nan 8.250 nan 0.000 0.438 239 E N 0.605 120.846 120.200 0.068 0.000 2.085 239 E HA -0.182 4.167 4.350 -0.002 0.000 0.194 239 E C 1.658 178.342 176.600 0.140 0.000 0.994 239 E CA 1.769 58.220 56.400 0.084 0.000 0.801 239 E CB -0.414 29.317 29.700 0.051 0.000 0.743 239 E HN 0.401 nan 8.360 nan 0.000 0.453 240 A N -0.012 122.904 122.820 0.160 0.000 1.908 240 A HA -0.225 4.094 4.320 -0.002 0.000 0.218 240 A C 2.619 180.378 177.584 0.292 0.000 1.181 240 A CA 1.642 53.812 52.037 0.221 0.000 0.627 240 A CB -1.112 18.073 19.000 0.308 0.000 0.818 240 A HN 0.529 nan 8.150 nan 0.000 0.445 241 c N -1.321 117.421 118.600 0.237 0.000 2.453 241 c HA -0.054 4.515 4.570 -0.002 0.000 0.277 241 c C 3.076 177.324 174.090 0.264 0.000 1.262 241 c CA 1.488 57.965 56.329 0.248 0.000 1.718 241 c CB -1.433 41.177 42.510 0.167 0.000 2.031 241 c HN 0.662 nan 8.230 nan 0.000 0.480 242 T N 1.349 116.019 114.554 0.194 0.000 2.684 242 T HA -0.175 4.174 4.350 -0.002 0.000 0.267 242 T C 2.093 176.913 174.700 0.200 0.000 1.036 242 T CA 1.863 64.058 62.100 0.158 0.000 1.148 242 T CB -0.499 68.437 68.868 0.114 0.000 0.863 242 T HN 0.637 nan 8.240 nan 0.000 0.436 243 A N 0.240 123.212 122.820 0.254 0.000 1.933 243 A HA -0.079 4.240 4.320 -0.002 0.000 0.218 243 A C 2.064 179.926 177.584 0.464 0.000 1.175 243 A CA 1.440 53.665 52.037 0.314 0.000 0.628 243 A CB -1.096 18.090 19.000 0.312 0.000 0.814 243 A HN 0.669 nan 8.150 nan 0.000 0.444 244 Y N 0.121 120.659 120.300 0.396 0.000 2.097 244 Y HA -0.243 4.305 4.550 -0.002 0.000 0.282 244 Y C 2.393 178.391 175.900 0.163 0.000 1.152 244 Y CA 1.901 60.211 58.100 0.349 0.000 1.136 244 Y CB -0.052 38.618 38.460 0.351 0.000 0.975 244 Y HN 0.117 nan 8.280 nan 0.000 0.498 245 V N 0.320 120.272 119.914 0.063 0.000 2.453 245 V HA -0.247 3.872 4.120 -0.002 0.000 0.247 245 V C 1.712 177.725 176.094 -0.136 0.000 1.048 245 V CA 1.976 64.172 62.300 -0.173 0.000 1.049 245 V CB -0.592 31.195 31.823 -0.058 0.000 0.672 245 V HN 0.426 nan 8.190 nan 0.000 0.457 246 D N -0.273 120.137 120.400 0.017 0.000 2.123 246 D HA -0.216 4.423 4.640 -0.002 0.000 0.196 246 D C 1.881 178.238 176.300 0.095 0.000 0.992 246 D CA 1.445 55.473 54.000 0.046 0.000 0.833 246 D CB -0.333 40.528 40.800 0.102 0.000 0.954 246 D HN 0.492 nan 8.370 nan 0.000 0.455 247 F N 0.717 120.642 119.950 -0.041 0.000 2.069 247 F HA -0.269 4.257 4.527 -0.002 0.000 0.298 247 F C 2.372 178.066 175.800 -0.176 0.000 1.113 247 F CA 0.975 58.972 58.000 -0.005 0.000 1.214 247 F CB -0.032 39.011 39.000 0.071 0.000 0.978 247 F HN -0.121 nan 8.300 nan 0.000 0.474 248 M N 0.494 119.648 119.600 -0.744 0.000 2.089 248 M HA -0.306 4.173 4.480 -0.002 0.000 0.257 248 M C 2.122 178.137 176.300 -0.474 0.000 1.071 248 M CA 2.015 56.556 55.300 -1.265 0.000 1.096 248 M CB -0.745 31.060 32.600 -1.325 0.000 1.330 248 M HN 0.250 nan 8.290 nan 0.000 0.403 249 I N -0.577 119.812 120.570 -0.303 0.000 2.226 249 I HA -0.259 3.910 4.170 -0.002 0.000 0.245 249 I C 2.533 178.599 176.117 -0.086 0.000 1.100 249 I CA 1.144 62.333 61.300 -0.185 0.000 1.374 249 I CB -0.379 37.542 38.000 -0.132 0.000 1.057 249 I HN 0.245 nan 8.210 nan 0.000 0.413 250 S N 0.269 115.964 115.700 -0.007 0.000 2.370 250 S HA -0.140 4.328 4.470 -0.002 0.000 0.226 250 S C 2.039 176.678 174.600 0.065 0.000 1.033 250 S CA 1.293 59.525 58.200 0.053 0.000 1.011 250 S CB -0.180 63.109 63.200 0.149 0.000 0.852 250 S HN 0.228 nan 8.310 nan 0.000 0.457 251 V N 1.647 121.634 119.914 0.122 0.000 2.407 251 V HA -0.073 4.046 4.120 -0.002 0.000 0.245 251 V C 2.589 178.867 176.094 0.307 0.000 1.041 251 V CA 1.403 63.844 62.300 0.235 0.000 1.040 251 V CB -1.156 30.855 31.823 0.313 0.000 0.671 251 V HN 0.512 nan 8.190 nan 0.000 0.455 252 A N 0.160 123.116 122.820 0.228 0.000 1.940 252 A HA -0.288 4.031 4.320 -0.002 0.000 0.219 252 A C 2.383 179.941 177.584 -0.044 0.000 1.176 252 A CA 2.264 54.267 52.037 -0.057 0.000 0.631 252 A CB -0.562 18.140 19.000 -0.496 0.000 0.814 252 A HN 0.485 nan 8.150 nan 0.000 0.446 253 R N -0.608 119.869 120.500 -0.038 0.000 2.066 253 R HA -0.019 4.320 4.340 -0.002 0.000 0.232 253 R C 2.029 178.320 176.300 -0.016 0.000 1.131 253 R CA 1.437 57.512 56.100 -0.041 0.000 0.955 253 R CB -0.364 29.909 30.300 -0.045 0.000 0.851 253 R HN 0.532 nan 8.270 nan 0.000 0.432 254 L N 0.282 121.495 121.223 -0.016 0.000 2.046 254 L HA -0.176 4.163 4.340 -0.002 0.000 0.208 254 L C 2.344 179.252 176.870 0.064 0.000 1.077 254 L CA 1.182 55.976 54.840 -0.077 0.000 0.747 254 L CB -0.291 41.554 42.059 -0.357 0.000 0.896 254 L HN 0.278 nan 8.230 nan 0.000 0.432 255 I N -0.814 119.864 120.570 0.181 0.000 2.226 255 I HA -0.275 3.894 4.170 -0.002 0.000 0.245 255 I C 2.767 178.958 176.117 0.124 0.000 1.100 255 I CA 1.141 62.580 61.300 0.230 0.000 1.374 255 I CB -0.391 37.789 38.000 0.302 0.000 1.057 255 I HN 0.248 nan 8.210 nan 0.000 0.413 256 R N 0.628 121.167 120.500 0.065 0.000 2.073 256 R HA -0.187 4.152 4.340 -0.002 0.000 0.234 256 R C 2.294 178.609 176.300 0.025 0.000 1.134 256 R CA 1.470 57.584 56.100 0.024 0.000 0.952 256 R CB -0.429 29.858 30.300 -0.021 0.000 0.850 256 R HN 0.513 nan 8.270 nan 0.000 0.433 257 Q N 0.152 119.963 119.800 0.018 0.000 2.124 257 Q HA -0.198 4.141 4.340 -0.002 0.000 0.202 257 Q C 1.960 177.978 176.000 0.030 0.000 0.977 257 Q CA 1.443 57.253 55.803 0.012 0.000 0.850 257 Q CB -0.027 28.708 28.738 -0.005 0.000 0.901 257 Q HN 0.404 nan 8.270 nan 0.000 0.429 258 E N 0.404 120.639 120.200 0.058 0.000 2.152 258 E HA -0.152 4.196 4.350 -0.002 0.000 0.192 258 E C 1.386 178.022 176.600 0.059 0.000 0.983 258 E CA 0.603 57.047 56.400 0.073 0.000 0.818 258 E CB 0.332 30.110 29.700 0.130 0.000 0.758 258 E HN 0.183 nan 8.360 nan 0.000 0.467 259 E N 0.394 120.630 120.200 0.061 0.000 2.511 259 E HA -0.050 4.298 4.350 -0.002 0.000 0.196 259 E C 0.151 176.772 176.600 0.034 0.000 1.066 259 E CA 0.165 56.595 56.400 0.050 0.000 0.871 259 E CB 0.121 29.857 29.700 0.059 0.000 0.863 259 E HN 0.089 nan 8.360 nan 0.000 0.520 260 R N -0.209 120.308 120.500 0.028 0.000 3.531 260 R HA -0.157 4.182 4.340 -0.002 0.000 0.280 260 R C -0.524 175.784 176.300 0.013 0.000 1.130 260 R CA 0.260 56.370 56.100 0.018 0.000 0.757 260 R CB -2.172 28.138 30.300 0.016 0.000 1.218 260 R HN 0.124 nan 8.270 nan 0.000 0.454 261 L N 0.661 121.892 121.223 0.012 0.000 2.416 261 L HA 0.589 4.928 4.340 -0.002 0.000 0.262 261 L C -1.364 175.502 176.870 -0.006 0.000 1.093 261 L CA -2.190 52.652 54.840 0.004 0.000 0.801 261 L CB 0.494 42.556 42.059 0.004 0.000 1.191 261 L HN -0.046 nan 8.230 nan 0.000 0.459 262 P HA 0.228 nan 4.420 nan 0.000 0.275 262 P C -0.895 176.388 177.300 -0.029 0.000 1.227 262 P CA -0.119 62.970 63.100 -0.018 0.000 0.781 262 P CB 1.109 32.800 31.700 -0.016 0.000 0.906 263 I N 3.079 123.630 120.570 -0.031 0.000 2.330 263 I HA 0.183 4.352 4.170 -0.002 0.000 0.289 263 I C 0.112 176.202 176.117 -0.044 0.000 1.001 263 I CA 0.019 61.293 61.300 -0.043 0.000 1.193 263 I CB 0.946 38.923 38.000 -0.040 0.000 1.345 263 I HN 0.217 nan 8.210 nan 0.000 0.461 264 D N 6.672 127.039 120.400 -0.055 0.000 2.460 264 D HA 0.157 4.796 4.640 -0.002 0.000 0.232 264 D C 0.838 177.100 176.300 -0.063 0.000 1.079 264 D CA -0.220 53.749 54.000 -0.053 0.000 0.864 264 D CB 1.109 41.877 40.800 -0.052 0.000 1.048 264 D HN 0.394 nan 8.370 nan 0.000 0.523 265 E N 2.538 122.706 120.200 -0.054 0.000 2.153 265 E HA -0.148 4.200 4.350 -0.002 0.000 0.194 265 E C 1.119 177.681 176.600 -0.062 0.000 0.988 265 E CA 0.747 57.112 56.400 -0.058 0.000 0.811 265 E CB 0.114 29.788 29.700 -0.044 0.000 0.746 265 E HN 0.650 nan 8.360 nan 0.000 0.466 266 N N 0.429 119.097 118.700 -0.054 0.000 2.106 266 N HA -0.195 4.544 4.740 -0.002 0.000 0.188 266 N C 1.945 177.415 175.510 -0.066 0.000 1.029 266 N CA 0.876 53.895 53.050 -0.052 0.000 0.848 266 N CB -0.033 38.429 38.487 -0.041 0.000 1.007 266 N HN -0.003 nan 8.380 nan 0.000 0.423 267 Q N 1.382 121.138 119.800 -0.074 0.000 2.079 267 Q HA -0.016 4.323 4.340 -0.002 0.000 0.200 267 Q C 1.917 177.842 176.000 -0.125 0.000 0.974 267 Q CA 1.152 56.901 55.803 -0.091 0.000 0.840 267 Q CB -0.258 28.427 28.738 -0.088 0.000 0.898 267 Q HN 0.360 nan 8.270 nan 0.000 0.430 268 L N -0.389 120.753 121.223 -0.134 0.000 1.989 268 L HA -0.232 4.106 4.340 -0.002 0.000 0.211 268 L C 2.362 179.132 176.870 -0.165 0.000 1.071 268 L CA 1.402 56.137 54.840 -0.175 0.000 0.749 268 L CB -0.920 41.044 42.059 -0.158 0.000 0.890 268 L HN 0.348 nan 8.230 nan 0.000 0.431 269 A N -0.285 122.463 122.820 -0.120 0.000 1.908 269 A HA -0.241 4.078 4.320 -0.002 0.000 0.218 269 A C 2.219 179.745 177.584 -0.096 0.000 1.181 269 A CA 1.755 53.731 52.037 -0.102 0.000 0.627 269 A CB -0.701 18.258 19.000 -0.068 0.000 0.818 269 A HN 0.368 nan 8.150 nan 0.000 0.445 270 L N -0.527 120.642 121.223 -0.090 0.000 2.093 270 L HA -0.121 4.217 4.340 -0.002 0.000 0.208 270 L C 2.285 179.102 176.870 -0.089 0.000 1.085 270 L CA 2.077 56.873 54.840 -0.074 0.000 0.755 270 L CB -0.259 41.760 42.059 -0.066 0.000 0.904 270 L HN 0.482 nan 8.230 nan 0.000 0.435 271 E N -1.347 118.774 120.200 -0.131 0.000 2.112 271 E HA -0.125 4.224 4.350 -0.002 0.000 0.190 271 E C 2.031 178.527 176.600 -0.173 0.000 0.979 271 E CA 0.842 57.146 56.400 -0.159 0.000 0.814 271 E CB 0.060 29.625 29.700 -0.225 0.000 0.762 271 E HN 0.409 nan 8.360 nan 0.000 0.460 272 M N 0.611 120.091 119.600 -0.201 0.000 2.334 272 M HA -0.028 4.451 4.480 -0.002 0.000 0.266 272 M C 1.595 177.800 176.300 -0.158 0.000 1.082 272 M CA 0.803 55.962 55.300 -0.234 0.000 1.141 272 M CB -0.809 31.605 32.600 -0.310 0.000 1.380 272 M HN 0.017 nan 8.290 nan 0.000 0.440 273 N N 1.025 119.664 118.700 -0.102 0.000 2.120 273 N HA -0.177 4.561 4.740 -0.002 0.000 0.188 273 N C 1.669 177.179 175.510 -0.001 0.000 1.024 273 N CA 1.204 54.230 53.050 -0.039 0.000 0.852 273 N CB -0.283 38.191 38.487 -0.022 0.000 1.003 273 N HN 0.301 nan 8.380 nan 0.000 0.424 274 K N 1.243 121.638 120.400 -0.008 0.000 2.103 274 K HA -0.025 4.293 4.320 -0.002 0.000 0.207 274 K C 1.797 178.416 176.600 0.033 0.000 1.048 274 K CA 0.760 57.076 56.287 0.047 0.000 0.930 274 K CB -0.310 32.211 32.500 0.035 0.000 0.716 274 K HN -0.112 nan 8.250 nan 0.000 0.444 275 V N 0.793 120.685 119.914 -0.036 0.000 2.343 275 V HA -0.251 3.867 4.120 -0.002 0.000 0.247 275 V C 2.379 178.476 176.094 0.006 0.000 1.051 275 V CA 2.055 64.327 62.300 -0.047 0.000 1.036 275 V CB -0.475 31.292 31.823 -0.093 0.000 0.654 275 V HN 0.477 nan 8.190 nan 0.000 0.451 276 M N 0.184 119.803 119.600 0.031 0.000 2.175 276 M HA -0.118 4.361 4.480 -0.002 0.000 0.264 276 M C 1.897 178.291 176.300 0.156 0.000 1.063 276 M CA 1.851 57.240 55.300 0.148 0.000 1.119 276 M CB -0.575 32.111 32.600 0.143 0.000 1.377 276 M HN 0.297 nan 8.290 nan 0.000 0.415 277 E N 0.124 120.393 120.200 0.116 0.000 2.072 277 E HA -0.152 4.196 4.350 -0.002 0.000 0.191 277 E C 2.038 178.699 176.600 0.102 0.000 0.985 277 E CA 1.342 57.828 56.400 0.143 0.000 0.801 277 E CB -0.677 29.131 29.700 0.180 0.000 0.750 277 E HN 0.584 nan 8.360 nan 0.000 0.452 278 L N 0.536 121.731 121.223 -0.047 0.000 1.978 278 L HA -0.273 4.066 4.340 -0.002 0.000 0.218 278 L C 2.490 179.256 176.870 -0.173 0.000 1.075 278 L CA 2.369 56.975 54.840 -0.390 0.000 0.767 278 L CB -0.399 41.312 42.059 -0.580 0.000 0.890 278 L HN 0.338 nan 8.230 nan 0.000 0.434 279 E N -0.449 119.709 120.200 -0.070 0.000 2.106 279 E HA -0.241 4.107 4.350 -0.002 0.000 0.192 279 E C 2.175 178.624 176.600 -0.252 0.000 0.984 279 E CA 0.874 57.217 56.400 -0.094 0.000 0.806 279 E CB 0.134 29.884 29.700 0.082 0.000 0.750 279 E HN 0.380 nan 8.360 nan 0.000 0.458 280 K N 0.486 120.845 120.400 -0.070 0.000 2.034 280 K HA -0.225 4.093 4.320 -0.002 0.000 0.214 280 K C 2.104 178.667 176.600 -0.062 0.000 1.051 280 K CA 1.883 58.155 56.287 -0.026 0.000 0.931 280 K CB -0.067 32.528 32.500 0.159 0.000 0.715 280 K HN 0.202 nan 8.250 nan 0.000 0.446 281 E N 0.409 120.603 120.200 -0.010 0.000 2.051 281 E HA -0.191 4.158 4.350 -0.002 0.000 0.192 281 E C 2.120 178.711 176.600 -0.014 0.000 0.991 281 E CA 1.190 57.600 56.400 0.016 0.000 0.799 281 E CB -0.167 29.577 29.700 0.073 0.000 0.748 281 E HN 0.310 nan 8.360 nan 0.000 0.449 282 I N 1.268 121.807 120.570 -0.051 0.000 2.208 282 I HA -0.288 3.880 4.170 -0.002 0.000 0.245 282 I C 2.584 178.697 176.117 -0.006 0.000 1.097 282 I CA 1.019 62.323 61.300 0.008 0.000 1.363 282 I CB -0.334 37.662 38.000 -0.006 0.000 1.051 282 I HN 0.069 nan 8.210 nan 0.000 0.413 283 A N 0.588 123.296 122.820 -0.187 0.000 1.902 283 A HA -0.267 4.052 4.320 -0.002 0.000 0.217 283 A C 2.195 179.747 177.584 -0.053 0.000 1.181 283 A CA 2.082 53.982 52.037 -0.228 0.000 0.623 283 A CB -0.930 17.715 19.000 -0.592 0.000 0.818 283 A HN 0.558 nan 8.150 nan 0.000 0.443 284 N N 0.048 118.735 118.700 -0.022 0.000 2.331 284 N HA -0.057 4.682 4.740 -0.002 0.000 0.180 284 N C 1.742 177.285 175.510 0.055 0.000 1.019 284 N CA 1.004 54.071 53.050 0.028 0.000 0.881 284 N CB -0.124 38.384 38.487 0.035 0.000 0.972 284 N HN 0.387 nan 8.380 nan 0.000 0.435 285 A N 0.555 123.424 122.820 0.081 0.000 2.016 285 A HA -0.001 4.317 4.320 -0.002 0.000 0.217 285 A C 1.177 178.909 177.584 0.247 0.000 1.162 285 A CA 0.832 52.950 52.037 0.134 0.000 0.662 285 A CB -0.818 18.239 19.000 0.094 0.000 0.812 285 A HN 0.507 nan 8.150 nan 0.000 0.450 286 T N -0.919 113.755 114.554 0.200 0.000 2.932 286 T HA 0.479 4.827 4.350 -0.002 0.000 0.312 286 T C 0.313 175.050 174.700 0.061 0.000 1.071 286 T CA -0.280 61.871 62.100 0.084 0.000 1.128 286 T CB 0.839 69.668 68.868 -0.064 0.000 0.984 286 T HN 0.795 nan 8.240 nan 0.000 0.549 287 A N 2.985 125.827 122.820 0.036 0.000 2.440 287 A HA 0.325 4.643 4.320 -0.002 0.000 0.251 287 A C 0.693 178.283 177.584 0.009 0.000 1.089 287 A CA -0.608 51.447 52.037 0.029 0.000 0.779 287 A CB -0.128 18.887 19.000 0.025 0.000 1.022 287 A HN 0.903 nan 8.150 nan 0.000 0.492 288 K N 2.629 123.039 120.400 0.016 0.000 2.440 288 K HA 0.069 4.388 4.320 -0.002 0.000 0.270 288 K C -1.600 175.001 176.600 0.002 0.000 0.980 288 K CA -0.907 55.388 56.287 0.012 0.000 0.953 288 K CB 0.333 32.843 32.500 0.016 0.000 0.925 288 K HN 0.415 nan 8.250 nan 0.000 0.497 289 P HA -0.154 nan 4.420 nan 0.000 0.216 289 P C 0.241 177.534 177.300 -0.011 0.000 1.150 289 P CA 1.305 64.401 63.100 -0.007 0.000 0.837 289 P CB 0.222 31.922 31.700 -0.000 0.000 0.786 290 E N -0.614 119.583 120.200 -0.005 0.000 2.331 290 E HA -0.147 4.202 4.350 -0.002 0.000 0.199 290 E C 0.967 177.560 176.600 -0.012 0.000 1.008 290 E CA 0.986 57.381 56.400 -0.009 0.000 0.843 290 E CB -0.568 29.130 29.700 -0.004 0.000 0.761 290 E HN 0.318 nan 8.360 nan 0.000 0.507 291 D N -0.810 119.585 120.400 -0.008 0.000 2.369 291 D HA 0.104 4.743 4.640 -0.002 0.000 0.211 291 D C 0.668 176.959 176.300 -0.015 0.000 1.077 291 D CA 0.170 54.166 54.000 -0.007 0.000 0.842 291 D CB 0.418 41.221 40.800 0.004 0.000 0.947 291 D HN 0.040 nan 8.370 nan 0.000 0.509 292 R N 0.496 120.981 120.500 -0.026 0.000 2.565 292 R HA 0.082 4.421 4.340 -0.002 0.000 0.347 292 R C 1.039 177.307 176.300 -0.053 0.000 1.010 292 R CA -0.043 56.029 56.100 -0.047 0.000 1.126 292 R CB 0.353 30.621 30.300 -0.053 0.000 1.331 292 R HN -0.006 nan 8.270 nan 0.000 0.552 293 N N -0.147 118.532 118.700 -0.036 0.000 2.463 293 N HA -0.095 4.644 4.740 -0.002 0.000 0.181 293 N C -0.099 175.395 175.510 -0.027 0.000 1.078 293 N CA 0.535 53.568 53.050 -0.028 0.000 0.902 293 N CB 0.213 38.688 38.487 -0.021 0.000 0.970 293 N HN -0.027 nan 8.380 nan 0.000 0.451 294 D N 0.770 121.147 120.400 -0.037 0.000 2.427 294 D HA 0.272 4.911 4.640 -0.002 0.000 0.226 294 D C -1.904 174.370 176.300 -0.043 0.000 1.076 294 D CA -2.227 51.745 54.000 -0.046 0.000 0.849 294 D CB 1.944 42.714 40.800 -0.049 0.000 1.052 294 D HN -0.068 nan 8.370 nan 0.000 0.515 295 P HA -0.050 nan 4.420 nan 0.000 0.223 295 P C 1.688 178.972 177.300 -0.026 0.000 1.151 295 P CA 0.681 63.770 63.100 -0.017 0.000 0.787 295 P CB 0.247 31.956 31.700 0.015 0.000 0.788 296 M N -1.367 118.189 119.600 -0.073 0.000 2.200 296 M HA -0.023 4.455 4.480 -0.002 0.000 0.265 296 M C 2.024 178.338 176.300 0.024 0.000 1.066 296 M CA 1.362 56.631 55.300 -0.051 0.000 1.127 296 M CB -1.246 31.299 32.600 -0.092 0.000 1.379 296 M HN 0.025 nan 8.290 nan 0.000 0.420 297 L N -0.722 120.506 121.223 0.008 0.000 2.156 297 L HA -0.127 4.212 4.340 -0.002 0.000 0.208 297 L C 2.334 179.238 176.870 0.056 0.000 1.095 297 L CA 0.568 55.424 54.840 0.026 0.000 0.770 297 L CB -0.435 41.626 42.059 0.003 0.000 0.914 297 L HN 0.279 nan 8.230 nan 0.000 0.439 298 L N -1.067 120.187 121.223 0.051 0.000 2.217 298 L HA -0.156 4.183 4.340 -0.002 0.000 0.211 298 L C 0.780 177.786 176.870 0.227 0.000 1.107 298 L CA 0.756 55.632 54.840 0.060 0.000 0.783 298 L CB -0.169 41.810 42.059 -0.133 0.000 0.919 298 L HN 0.208 nan 8.230 nan 0.000 0.442 299 Y N 2.369 122.731 120.300 0.103 0.000 2.600 299 Y HA 0.161 4.710 4.550 -0.002 0.000 0.351 299 Y C -0.064 175.868 175.900 0.054 0.000 1.042 299 Y CA -0.428 57.746 58.100 0.124 0.000 1.333 299 Y CB -0.141 38.364 38.460 0.076 0.000 1.172 299 Y HN 0.071 nan 8.280 nan 0.000 0.517 300 N N 6.533 125.133 118.700 -0.165 0.000 2.626 300 N HA 0.105 4.843 4.740 -0.002 0.000 0.249 300 N C -1.231 174.104 175.510 -0.291 0.000 1.021 300 N CA -0.658 52.309 53.050 -0.139 0.000 0.886 300 N CB 1.496 39.969 38.487 -0.024 0.000 1.149 300 N HN 0.506 nan 8.380 nan 0.000 0.517 301 K N 3.744 123.948 120.400 -0.328 0.000 2.262 301 K HA 0.351 4.670 4.320 -0.002 0.000 0.282 301 K C -0.076 176.434 176.600 -0.149 0.000 1.066 301 K CA -0.263 55.835 56.287 -0.315 0.000 0.901 301 K CB 0.531 32.866 32.500 -0.274 0.000 1.089 301 K HN 0.471 nan 8.250 nan 0.000 0.476 302 M N 1.197 120.711 119.600 -0.143 0.000 2.727 302 M HA 0.453 4.931 4.480 -0.002 0.000 0.300 302 M C -0.342 175.901 176.300 -0.095 0.000 1.246 302 M CA -1.018 54.224 55.300 -0.097 0.000 0.835 302 M CB 1.513 34.062 32.600 -0.084 0.000 1.755 302 M HN 0.527 nan 8.290 nan 0.000 0.473 303 T N -1.280 113.230 114.554 -0.074 0.000 2.849 303 T HA 0.394 4.743 4.350 -0.002 0.000 0.284 303 T C 1.042 175.700 174.700 -0.071 0.000 1.004 303 T CA -0.855 61.208 62.100 -0.061 0.000 1.021 303 T CB 0.970 69.814 68.868 -0.041 0.000 1.013 303 T HN 0.718 nan 8.240 nan 0.000 0.527 304 L N 0.908 122.104 121.223 -0.045 0.000 2.261 304 L HA -0.074 4.265 4.340 -0.002 0.000 0.216 304 L C 2.991 179.849 176.870 -0.020 0.000 1.114 304 L CA 1.405 56.230 54.840 -0.025 0.000 0.777 304 L CB -0.945 41.140 42.059 0.044 0.000 0.910 304 L HN 0.980 nan 8.230 nan 0.000 0.440 305 A N -0.270 122.538 122.820 -0.019 0.000 1.841 305 A HA -0.235 4.084 4.320 -0.002 0.000 0.214 305 A C 2.133 179.686 177.584 -0.051 0.000 1.195 305 A CA 1.282 53.309 52.037 -0.016 0.000 0.611 305 A CB -0.495 18.497 19.000 -0.013 0.000 0.835 305 A HN 0.430 nan 8.150 nan 0.000 0.443 306 Q N -0.564 119.192 119.800 -0.073 0.000 2.152 306 Q HA -0.190 4.149 4.340 -0.002 0.000 0.206 306 Q C 2.006 177.912 176.000 -0.158 0.000 0.985 306 Q CA 1.685 57.425 55.803 -0.106 0.000 0.863 306 Q CB -0.422 28.257 28.738 -0.098 0.000 0.904 306 Q HN 0.752 nan 8.270 nan 0.000 0.422 307 I N 0.118 120.588 120.570 -0.167 0.000 2.286 307 I HA -0.247 3.921 4.170 -0.002 0.000 0.245 307 I C 2.499 178.452 176.117 -0.274 0.000 1.104 307 I CA 0.857 62.004 61.300 -0.256 0.000 1.397 307 I CB -0.112 37.611 38.000 -0.461 0.000 1.072 307 I HN 0.162 nan 8.210 nan 0.000 0.417 308 Q N 1.361 121.083 119.800 -0.131 0.000 2.181 308 Q HA -0.220 4.119 4.340 -0.002 0.000 0.205 308 Q C 1.443 177.493 176.000 0.084 0.000 0.980 308 Q CA 2.018 57.884 55.803 0.104 0.000 0.862 308 Q CB -0.195 28.633 28.738 0.151 0.000 0.905 308 Q HN 0.524 nan 8.270 nan 0.000 0.429 309 N N -1.617 117.064 118.700 -0.031 0.000 2.348 309 N HA 0.107 4.845 4.740 -0.002 0.000 0.183 309 N C 0.394 175.825 175.510 -0.132 0.000 1.094 309 N CA 0.365 53.388 53.050 -0.045 0.000 0.885 309 N CB 0.412 38.869 38.487 -0.050 0.000 1.065 309 N HN 0.167 nan 8.380 nan 0.000 0.472 310 N N -0.571 117.961 118.700 -0.281 0.000 2.325 310 N HA 0.162 4.901 4.740 -0.002 0.000 0.182 310 N C -0.834 174.232 175.510 -0.741 0.000 1.088 310 N CA 0.478 53.192 53.050 -0.561 0.000 0.879 310 N CB 0.479 38.473 38.487 -0.821 0.000 0.983 310 N HN 0.055 nan 8.380 nan 0.000 0.471 311 F N 0.332 120.263 119.950 -0.030 0.000 2.566 311 F HA 0.302 4.828 4.527 -0.002 0.000 0.347 311 F C 0.120 176.057 175.800 0.228 0.000 1.515 311 F CA -1.544 56.475 58.000 0.031 0.000 1.103 311 F CB -0.304 38.647 39.000 -0.081 0.000 1.385 311 F HN -0.211 nan 8.300 nan 0.000 0.560 312 S N 1.103 116.987 115.700 0.305 0.000 2.572 312 S HA 0.668 5.137 4.470 -0.002 0.000 0.279 312 S C -0.410 174.348 174.600 0.263 0.000 1.341 312 S CA -0.322 58.068 58.200 0.316 0.000 1.043 312 S CB 1.207 64.516 63.200 0.181 0.000 0.887 312 S HN 0.372 nan 8.310 nan 0.000 0.516 313 L N 1.318 122.677 121.223 0.227 0.000 2.401 313 L HA 0.591 4.930 4.340 -0.002 0.000 0.266 313 L C -0.286 176.646 176.870 0.103 0.000 0.991 313 L CA -0.633 54.248 54.840 0.068 0.000 0.818 313 L CB 2.112 44.062 42.059 -0.182 0.000 1.321 313 L HN 0.891 nan 8.230 nan 0.000 0.413 314 E N 3.724 123.964 120.200 0.067 0.000 2.165 314 E HA 0.550 4.899 4.350 -0.002 0.000 0.266 314 E C -1.578 175.068 176.600 0.076 0.000 0.889 314 E CA -0.631 55.819 56.400 0.084 0.000 0.756 314 E CB 1.533 31.277 29.700 0.072 0.000 1.131 314 E HN 0.371 nan 8.360 nan 0.000 0.411 315 I N 4.545 125.181 120.570 0.111 0.000 2.447 315 I HA 0.243 4.412 4.170 -0.002 0.000 0.287 315 I C 0.491 176.722 176.117 0.191 0.000 1.023 315 I CA -0.588 60.797 61.300 0.142 0.000 1.083 315 I CB 0.846 38.939 38.000 0.155 0.000 1.245 315 I HN 0.998 nan 8.210 nan 0.000 0.434 316 N N 4.402 123.205 118.700 0.172 0.000 2.725 316 N HA -0.182 4.556 4.740 -0.002 0.000 0.249 316 N C 0.643 176.231 175.510 0.130 0.000 1.103 316 N CA 0.787 53.935 53.050 0.163 0.000 0.707 316 N CB -0.228 38.416 38.487 0.262 0.000 1.043 316 N HN 1.201 nan 8.380 nan 0.000 0.553 317 G N 0.213 109.074 108.800 0.102 0.000 2.547 317 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.226 317 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.226 317 G C 0.258 175.210 174.900 0.087 0.000 0.871 317 G CA 0.650 45.799 45.100 0.081 0.000 1.142 317 G HN 0.435 nan 8.290 nan 0.000 0.362 318 K N 1.262 121.711 120.400 0.082 0.000 2.831 318 K HA 0.415 4.734 4.320 -0.002 0.000 0.251 318 K C -0.368 176.265 176.600 0.054 0.000 1.221 318 K CA 0.956 57.288 56.287 0.075 0.000 0.976 318 K CB -0.944 31.614 32.500 0.097 0.000 1.745 318 K HN 0.557 nan 8.250 nan 0.000 0.414 319 P HA 0.182 nan 4.420 nan 0.000 0.307 319 P C -0.625 176.729 177.300 0.089 0.000 1.306 319 P CA -0.430 62.726 63.100 0.094 0.000 0.742 319 P CB 0.248 32.011 31.700 0.105 0.000 1.349 320 F N 0.235 120.155 119.950 -0.051 0.000 2.411 320 F HA 0.321 4.847 4.527 -0.002 0.000 0.350 320 F C 0.486 176.208 175.800 -0.130 0.000 1.114 320 F CA -0.254 57.649 58.000 -0.162 0.000 1.135 320 F CB 0.945 39.767 39.000 -0.296 0.000 1.120 320 F HN 0.111 nan 8.300 nan 0.000 0.495 321 S N 6.528 121.821 115.700 -0.679 0.000 2.415 321 S HA 0.136 4.605 4.470 -0.002 0.000 0.313 321 S C 0.576 174.888 174.600 -0.479 0.000 1.067 321 S CA -0.625 57.353 58.200 -0.371 0.000 1.099 321 S CB -0.005 63.050 63.200 -0.242 0.000 0.991 321 S HN 0.855 nan 8.310 nan 0.000 0.491 322 W N 4.089 125.337 121.300 -0.086 0.000 2.358 322 W HA -0.084 4.575 4.660 -0.002 0.000 0.303 322 W C 2.020 178.578 176.519 0.066 0.000 1.208 322 W CA 0.452 57.875 57.345 0.130 0.000 1.274 322 W CB -0.338 29.265 29.460 0.238 0.000 1.138 322 W HN 0.663 nan 8.180 nan 0.000 0.515 323 L N 1.158 122.515 121.223 0.222 0.000 2.013 323 L HA -0.271 4.068 4.340 -0.002 0.000 0.212 323 L C 2.064 178.953 176.870 0.032 0.000 1.073 323 L CA 2.221 57.124 54.840 0.105 0.000 0.753 323 L CB -1.378 40.719 42.059 0.063 0.000 0.890 323 L HN 0.129 nan 8.230 nan 0.000 0.432 324 N N -1.054 117.626 118.700 -0.033 0.000 2.106 324 N HA -0.267 4.472 4.740 -0.002 0.000 0.188 324 N C 2.197 177.674 175.510 -0.055 0.000 1.029 324 N CA 1.624 54.627 53.050 -0.078 0.000 0.848 324 N CB -0.335 38.060 38.487 -0.153 0.000 1.007 324 N HN 0.487 nan 8.380 nan 0.000 0.423 325 F N 1.722 121.502 119.950 -0.282 0.000 2.043 325 F HA -0.257 4.269 4.527 -0.002 0.000 0.297 325 F C 2.400 178.168 175.800 -0.054 0.000 1.121 325 F CA 1.829 59.703 58.000 -0.210 0.000 1.199 325 F CB -0.578 38.271 39.000 -0.251 0.000 0.968 325 F HN 0.006 nan 8.300 nan 0.000 0.478 326 T N 0.530 115.001 114.554 -0.138 0.000 2.881 326 T HA -0.176 4.172 4.350 -0.002 0.000 0.270 326 T C 1.570 176.164 174.700 -0.177 0.000 1.068 326 T CA 1.417 63.383 62.100 -0.224 0.000 1.131 326 T CB -0.306 68.550 68.868 -0.020 0.000 0.871 326 T HN 0.328 nan 8.240 nan 0.000 0.479 327 N N 0.428 119.063 118.700 -0.107 0.000 2.395 327 N HA 0.016 4.755 4.740 -0.002 0.000 0.175 327 N C 1.841 177.300 175.510 -0.085 0.000 1.029 327 N CA 0.448 53.450 53.050 -0.080 0.000 0.897 327 N CB 0.064 38.523 38.487 -0.046 0.000 0.991 327 N HN 0.360 nan 8.380 nan 0.000 0.441 328 E N 1.002 121.147 120.200 -0.091 0.000 2.153 328 E HA -0.061 4.287 4.350 -0.002 0.000 0.194 328 E C 1.959 178.506 176.600 -0.089 0.000 0.988 328 E CA 0.446 56.807 56.400 -0.065 0.000 0.811 328 E CB 0.112 29.794 29.700 -0.031 0.000 0.746 328 E HN 0.431 nan 8.360 nan 0.000 0.466 329 I N 0.295 120.765 120.570 -0.166 0.000 2.235 329 I HA -0.211 3.958 4.170 -0.002 0.000 0.241 329 I C 2.216 178.257 176.117 -0.126 0.000 1.085 329 I CA 0.659 61.856 61.300 -0.171 0.000 1.378 329 I CB -0.114 37.711 38.000 -0.291 0.000 1.076 329 I HN 0.065 nan 8.210 nan 0.000 0.415 330 M N 0.504 120.029 119.600 -0.125 0.000 2.374 330 M HA -0.102 4.377 4.480 -0.002 0.000 0.264 330 M C 2.527 178.783 176.300 -0.073 0.000 1.067 330 M CA 1.437 56.681 55.300 -0.094 0.000 1.103 330 M CB -1.374 31.176 32.600 -0.084 0.000 1.402 330 M HN 0.327 nan 8.290 nan 0.000 0.444 331 S N -1.348 114.312 115.700 -0.067 0.000 2.436 331 S HA -0.073 4.396 4.470 -0.002 0.000 0.228 331 S C 1.850 176.420 174.600 -0.049 0.000 1.014 331 S CA 1.295 59.465 58.200 -0.050 0.000 0.950 331 S CB -0.941 62.234 63.200 -0.040 0.000 0.784 331 S HN 0.393 nan 8.310 nan 0.000 0.504 332 T N 1.551 116.071 114.554 -0.057 0.000 2.736 332 T HA -0.136 4.213 4.350 -0.002 0.000 0.265 332 T C 1.236 175.898 174.700 -0.063 0.000 1.031 332 T CA 1.793 63.856 62.100 -0.062 0.000 1.155 332 T CB -0.480 68.340 68.868 -0.079 0.000 0.849 332 T HN 0.345 nan 8.240 nan 0.000 0.471 333 V N 1.715 121.590 119.914 -0.064 0.000 3.070 333 V HA 0.331 4.450 4.120 -0.002 0.000 0.345 333 V C 0.576 176.639 176.094 -0.051 0.000 1.403 333 V CA -0.064 62.198 62.300 -0.063 0.000 1.155 333 V CB -0.561 31.216 31.823 -0.077 0.000 1.140 333 V HN 0.643 nan 8.190 nan 0.000 0.505 334 N N 1.206 119.879 118.700 -0.044 0.000 2.754 334 N HA -0.195 4.544 4.740 -0.002 0.000 0.248 334 N C -0.408 175.081 175.510 -0.034 0.000 1.093 334 N CA 0.826 53.855 53.050 -0.035 0.000 0.699 334 N CB -0.858 37.611 38.487 -0.030 0.000 1.016 334 N HN 0.572 nan 8.380 nan 0.000 0.552 335 I N 0.973 121.519 120.570 -0.039 0.000 2.530 335 I HA 0.283 4.451 4.170 -0.002 0.000 0.297 335 I C 0.494 176.590 176.117 -0.035 0.000 1.011 335 I CA -0.660 60.619 61.300 -0.036 0.000 1.107 335 I CB 1.964 39.940 38.000 -0.039 0.000 1.285 335 I HN 0.263 nan 8.210 nan 0.000 0.436 336 S N 6.546 122.229 115.700 -0.028 0.000 2.513 336 S HA 0.723 5.192 4.470 -0.002 0.000 0.299 336 S C -0.985 173.602 174.600 -0.022 0.000 1.087 336 S CA -0.668 57.517 58.200 -0.025 0.000 1.012 336 S CB 1.763 64.951 63.200 -0.020 0.000 1.044 336 S HN 0.344 nan 8.310 nan 0.000 0.485 337 I N 2.510 123.068 120.570 -0.021 0.000 2.545 337 I HA 0.428 4.597 4.170 -0.002 0.000 0.292 337 I C 0.258 176.370 176.117 -0.008 0.000 1.040 337 I CA -0.365 60.925 61.300 -0.017 0.000 1.068 337 I CB 1.918 39.904 38.000 -0.022 0.000 1.251 337 I HN 0.765 nan 8.210 nan 0.000 0.424 338 T N 4.516 119.067 114.554 -0.005 0.000 2.909 338 T HA 0.160 4.509 4.350 -0.002 0.000 0.286 338 T C 1.280 175.985 174.700 0.008 0.000 1.002 338 T CA -0.267 61.833 62.100 0.000 0.000 1.074 338 T CB 0.528 69.394 68.868 -0.003 0.000 0.984 338 T HN 0.465 nan 8.240 nan 0.000 0.495 339 N N 1.155 119.863 118.700 0.014 0.000 2.484 339 N HA -0.155 4.584 4.740 -0.002 0.000 0.193 339 N C 1.127 176.641 175.510 0.006 0.000 1.033 339 N CA 1.188 54.250 53.050 0.020 0.000 0.906 339 N CB 0.071 38.570 38.487 0.020 0.000 0.947 339 N HN 0.597 nan 8.380 nan 0.000 0.448 340 E N -0.686 119.514 120.200 -0.001 0.000 2.498 340 E HA 0.068 4.416 4.350 -0.002 0.000 0.203 340 E C -0.283 176.310 176.600 -0.013 0.000 1.013 340 E CA -0.172 56.223 56.400 -0.008 0.000 0.927 340 E CB 0.389 30.085 29.700 -0.007 0.000 1.012 340 E HN 0.253 nan 8.360 nan 0.000 0.482 341 E N 2.181 122.374 120.200 -0.011 0.000 2.529 341 E HA -0.073 4.276 4.350 -0.002 0.000 0.259 341 E C -0.612 175.971 176.600 -0.030 0.000 0.966 341 E CA 0.156 56.546 56.400 -0.017 0.000 0.937 341 E CB 0.254 29.946 29.700 -0.013 0.000 0.923 341 E HN -0.087 nan 8.360 nan 0.000 0.468 342 D N 2.668 123.049 120.400 -0.033 0.000 2.389 342 D HA 0.227 4.866 4.640 -0.002 0.000 0.247 342 D C -0.828 175.425 176.300 -0.079 0.000 1.128 342 D CA -0.020 53.949 54.000 -0.052 0.000 0.884 342 D CB 1.030 41.809 40.800 -0.035 0.000 1.194 342 D HN 0.109 nan 8.370 nan 0.000 0.441 343 V N 2.353 122.191 119.914 -0.127 0.000 2.760 343 V HA 0.222 4.340 4.120 -0.002 0.000 0.309 343 V C -0.136 175.778 176.094 -0.299 0.000 1.077 343 V CA -0.946 61.245 62.300 -0.182 0.000 0.910 343 V CB 2.341 34.071 31.823 -0.155 0.000 1.008 343 V HN 0.225 nan 8.190 nan 0.000 0.424 344 V N 5.135 124.780 119.914 -0.449 0.000 2.353 344 V HA 0.285 4.404 4.120 -0.002 0.000 0.264 344 V C 0.013 175.723 176.094 -0.641 0.000 1.049 344 V CA -0.419 61.467 62.300 -0.690 0.000 0.896 344 V CB 1.360 32.567 31.823 -1.027 0.000 1.025 344 V HN 0.614 nan 8.190 nan 0.000 0.475 345 V N 6.433 126.103 119.914 -0.406 0.000 2.348 345 V HA 0.220 4.339 4.120 -0.002 0.000 0.270 345 V C 0.512 176.550 176.094 -0.094 0.000 1.037 345 V CA -0.339 61.805 62.300 -0.260 0.000 0.872 345 V CB 0.625 32.330 31.823 -0.196 0.000 1.002 345 V HN 0.777 nan 8.190 nan 0.000 0.464 346 Y N 3.266 123.494 120.300 -0.120 0.000 2.519 346 Y HA 0.327 4.875 4.550 -0.002 0.000 0.287 346 Y C 1.597 177.479 175.900 -0.029 0.000 1.128 346 Y CA 0.187 58.258 58.100 -0.049 0.000 1.282 346 Y CB 0.226 38.703 38.460 0.029 0.000 1.027 346 Y HN 0.657 nan 8.280 nan 0.000 0.551 347 A N -0.643 122.239 122.820 0.103 0.000 3.308 347 A HA 0.416 4.735 4.320 -0.002 0.000 0.275 347 A C -1.918 175.645 177.584 -0.035 0.000 0.950 347 A CA -1.007 51.071 52.037 0.068 0.000 0.987 347 A CB 0.033 19.086 19.000 0.089 0.000 1.146 347 A HN -0.021 nan 8.150 nan 0.000 0.488 348 P HA -0.230 nan 4.420 nan 0.000 0.214 348 P C 1.154 178.377 177.300 -0.128 0.000 1.169 348 P CA 1.731 64.694 63.100 -0.227 0.000 0.908 348 P CB 0.283 32.041 31.700 0.097 0.000 0.791 349 E N -2.271 117.954 120.200 0.041 0.000 2.204 349 E HA -0.199 4.149 4.350 -0.002 0.000 0.194 349 E C 1.987 178.623 176.600 0.060 0.000 0.989 349 E CA 0.690 57.138 56.400 0.079 0.000 0.824 349 E CB -0.702 29.049 29.700 0.084 0.000 0.756 349 E HN 0.385 nan 8.360 nan 0.000 0.477 350 Y N 0.829 121.096 120.300 -0.056 0.000 2.200 350 Y HA -0.142 4.407 4.550 -0.002 0.000 0.290 350 Y C 1.717 177.576 175.900 -0.069 0.000 1.137 350 Y CA 1.201 59.271 58.100 -0.049 0.000 1.163 350 Y CB 0.041 38.476 38.460 -0.041 0.000 0.988 350 Y HN -0.044 nan 8.280 nan 0.000 0.518 351 L N -0.617 120.451 121.223 -0.258 0.000 2.017 351 L HA -0.224 4.115 4.340 -0.002 0.000 0.208 351 L C 2.375 179.151 176.870 -0.156 0.000 1.073 351 L CA 1.842 56.485 54.840 -0.328 0.000 0.745 351 L CB -1.008 40.740 42.059 -0.517 0.000 0.894 351 L HN 0.223 nan 8.230 nan 0.000 0.432 352 T N -0.244 114.302 114.554 -0.013 0.000 2.684 352 T HA -0.226 4.123 4.350 -0.002 0.000 0.267 352 T C 1.869 176.573 174.700 0.007 0.000 1.036 352 T CA 1.437 63.617 62.100 0.132 0.000 1.148 352 T CB -0.113 68.878 68.868 0.205 0.000 0.863 352 T HN 0.283 nan 8.240 nan 0.000 0.436 353 K N 0.237 120.598 120.400 -0.064 0.000 2.288 353 K HA 0.102 4.421 4.320 -0.002 0.000 0.201 353 K C 1.965 178.480 176.600 -0.142 0.000 1.048 353 K CA 0.309 56.552 56.287 -0.074 0.000 0.956 353 K CB -0.163 32.309 32.500 -0.045 0.000 0.746 353 K HN 0.126 nan 8.250 nan 0.000 0.461 354 L N 1.940 122.997 121.223 -0.278 0.000 2.201 354 L HA -0.134 4.205 4.340 -0.002 0.000 0.212 354 L C 2.176 178.963 176.870 -0.139 0.000 1.105 354 L CA 1.631 56.288 54.840 -0.304 0.000 0.775 354 L CB -0.376 41.397 42.059 -0.477 0.000 0.913 354 L HN 0.054 nan 8.230 nan 0.000 0.440 355 K N 0.066 120.419 120.400 -0.078 0.000 1.991 355 K HA -0.133 4.186 4.320 -0.002 0.000 0.212 355 K C -0.623 175.974 176.600 -0.004 0.000 1.049 355 K CA 1.845 58.119 56.287 -0.022 0.000 0.932 355 K CB -1.114 31.401 32.500 0.024 0.000 0.717 355 K HN 0.269 nan 8.250 nan 0.000 0.441 356 P HA -0.081 nan 4.420 nan 0.000 0.226 356 P C 1.404 178.724 177.300 0.033 0.000 1.153 356 P CA 1.101 64.211 63.100 0.015 0.000 0.777 356 P CB -0.001 31.707 31.700 0.013 0.000 0.794 357 I N -1.089 119.505 120.570 0.039 0.000 2.296 357 I HA -0.139 4.029 4.170 -0.002 0.000 0.242 357 I C 2.195 178.432 176.117 0.200 0.000 1.087 357 I CA 0.726 62.096 61.300 0.117 0.000 1.393 357 I CB -0.625 37.413 38.000 0.065 0.000 1.093 357 I HN -0.163 nan 8.210 nan 0.000 0.421 358 L N 0.727 122.006 121.223 0.094 0.000 2.083 358 L HA -0.173 4.166 4.340 -0.002 0.000 0.209 358 L C 2.873 179.826 176.870 0.139 0.000 1.083 358 L CA 2.382 57.284 54.840 0.104 0.000 0.752 358 L CB -1.448 40.601 42.059 -0.016 0.000 0.899 358 L HN 0.442 nan 8.230 nan 0.000 0.433 359 T N -3.652 110.952 114.554 0.083 0.000 2.803 359 T HA -0.248 4.100 4.350 -0.002 0.000 0.269 359 T C 1.881 176.608 174.700 0.045 0.000 1.052 359 T CA 1.238 63.374 62.100 0.061 0.000 1.136 359 T CB -0.298 68.591 68.868 0.035 0.000 0.864 359 T HN 0.278 nan 8.240 nan 0.000 0.467 360 K N -0.319 120.098 120.400 0.028 0.000 2.288 360 K HA 0.111 4.429 4.320 -0.002 0.000 0.201 360 K C -0.157 176.302 176.600 -0.235 0.000 1.048 360 K CA 0.495 56.693 56.287 -0.148 0.000 0.956 360 K CB 0.023 32.343 32.500 -0.299 0.000 0.746 360 K HN 0.480 nan 8.250 nan 0.000 0.461 361 Y N 0.329 120.626 120.300 -0.004 0.000 2.496 361 Y HA 0.100 4.649 4.550 -0.002 0.000 0.331 361 Y C 0.659 176.549 175.900 -0.016 0.000 1.140 361 Y CA -1.132 56.960 58.100 -0.013 0.000 1.166 361 Y CB 1.385 39.838 38.460 -0.013 0.000 1.249 361 Y HN -0.122 nan 8.280 nan 0.000 0.479 362 S N 0.670 116.443 115.700 0.122 0.000 2.592 362 S HA 0.396 4.865 4.470 -0.002 0.000 0.271 362 S C 1.198 175.781 174.600 -0.029 0.000 1.326 362 S CA -0.318 57.900 58.200 0.030 0.000 1.024 362 S CB 1.372 64.567 63.200 -0.008 0.000 0.921 362 S HN 0.940 nan 8.310 nan 0.000 0.527 363 A N 2.611 125.359 122.820 -0.119 0.000 1.929 363 A HA -0.276 4.043 4.320 -0.002 0.000 0.221 363 A C 2.264 179.572 177.584 -0.461 0.000 1.211 363 A CA 2.288 54.065 52.037 -0.433 0.000 0.657 363 A CB -1.128 17.478 19.000 -0.657 0.000 0.827 363 A HN 1.022 nan 8.150 nan 0.000 0.462 364 R N -0.572 119.719 120.500 -0.349 0.000 2.091 364 R HA -0.185 4.154 4.340 -0.002 0.000 0.238 364 R C 1.469 177.524 176.300 -0.407 0.000 1.136 364 R CA 1.990 57.746 56.100 -0.572 0.000 0.959 364 R CB -0.433 29.693 30.300 -0.290 0.000 0.856 364 R HN 0.527 nan 8.270 nan 0.000 0.437 365 D N 0.725 121.012 120.400 -0.188 0.000 2.097 365 D HA -0.145 4.494 4.640 -0.002 0.000 0.197 365 D C 2.104 178.344 176.300 -0.099 0.000 0.984 365 D CA 1.273 55.217 54.000 -0.092 0.000 0.826 365 D CB -0.211 40.638 40.800 0.080 0.000 0.973 365 D HN 0.292 nan 8.370 nan 0.000 0.460 366 L N 0.359 121.541 121.223 -0.068 0.000 2.012 366 L HA -0.221 4.117 4.340 -0.002 0.000 0.210 366 L C 2.566 179.466 176.870 0.050 0.000 1.073 366 L CA 1.158 56.004 54.840 0.010 0.000 0.748 366 L CB -0.355 41.789 42.059 0.141 0.000 0.891 366 L HN 0.008 nan 8.230 nan 0.000 0.431 367 Q N 0.198 119.989 119.800 -0.016 0.000 2.245 367 Q HA -0.117 4.221 4.340 -0.002 0.000 0.201 367 Q C 1.772 177.799 176.000 0.045 0.000 0.955 367 Q CA 1.358 57.191 55.803 0.049 0.000 0.870 367 Q CB -0.091 28.613 28.738 -0.057 0.000 0.945 367 Q HN 0.441 nan 8.270 nan 0.000 0.461 368 N N -0.810 117.859 118.700 -0.052 0.000 2.120 368 N HA -0.167 4.571 4.740 -0.002 0.000 0.188 368 N C 1.394 177.096 175.510 0.319 0.000 1.024 368 N CA 1.048 54.186 53.050 0.147 0.000 0.852 368 N CB -0.068 38.365 38.487 -0.089 0.000 1.003 368 N HN 0.217 nan 8.380 nan 0.000 0.424 369 L N 0.920 122.238 121.223 0.157 0.000 2.027 369 L HA -0.027 4.312 4.340 -0.002 0.000 0.206 369 L C 2.010 178.999 176.870 0.198 0.000 1.074 369 L CA 1.508 56.464 54.840 0.193 0.000 0.745 369 L CB -0.430 41.680 42.059 0.086 0.000 0.898 369 L HN 0.214 nan 8.230 nan 0.000 0.433 370 M N -1.387 118.300 119.600 0.144 0.000 2.132 370 M HA -0.177 4.302 4.480 -0.002 0.000 0.263 370 M C 2.236 178.590 176.300 0.089 0.000 1.065 370 M CA 1.848 57.218 55.300 0.117 0.000 1.122 370 M CB -0.233 32.450 32.600 0.138 0.000 1.365 370 M HN 0.260 nan 8.290 nan 0.000 0.411 371 S N -0.397 115.353 115.700 0.084 0.000 2.387 371 S HA -0.150 4.319 4.470 -0.002 0.000 0.226 371 S C 1.410 175.827 174.600 -0.304 0.000 1.026 371 S CA 0.752 58.915 58.200 -0.062 0.000 0.972 371 S CB -0.456 62.713 63.200 -0.051 0.000 0.814 371 S HN 0.653 nan 8.310 nan 0.000 0.477 372 W N 2.933 123.938 121.300 -0.492 0.000 2.321 372 W HA -0.199 4.459 4.660 -0.002 0.000 0.306 372 W C 1.720 178.069 176.519 -0.283 0.000 1.217 372 W CA 1.128 58.150 57.345 -0.538 0.000 1.257 372 W CB -0.160 29.189 29.460 -0.186 0.000 1.145 372 W HN 0.194 nan 8.180 nan 0.000 0.509 373 R N -0.372 119.963 120.500 -0.276 0.000 2.148 373 R HA -0.168 4.171 4.340 -0.002 0.000 0.227 373 R C 2.021 178.205 176.300 -0.194 0.000 1.103 373 R CA 1.169 57.094 56.100 -0.291 0.000 0.983 373 R CB -1.406 28.873 30.300 -0.034 0.000 0.874 373 R HN 0.254 nan 8.270 nan 0.000 0.451 374 F N 1.151 120.910 119.950 -0.319 0.000 2.149 374 F HA 0.047 4.573 4.527 -0.002 0.000 0.294 374 F C 2.092 177.680 175.800 -0.353 0.000 1.095 374 F CA 0.415 58.251 58.000 -0.273 0.000 1.276 374 F CB -0.474 38.394 39.000 -0.221 0.000 1.023 374 F HN -0.191 nan 8.300 nan 0.000 0.480 375 I N -0.369 119.883 120.570 -0.530 0.000 2.226 375 I HA -0.378 3.791 4.170 -0.002 0.000 0.245 375 I C 2.555 178.294 176.117 -0.630 0.000 1.100 375 I CA 1.253 62.171 61.300 -0.636 0.000 1.374 375 I CB -0.494 37.093 38.000 -0.688 0.000 1.057 375 I HN 0.122 nan 8.210 nan 0.000 0.413 376 M N 0.267 119.268 119.600 -0.998 0.000 2.186 376 M HA -0.365 4.114 4.480 -0.002 0.000 0.249 376 M C 1.392 177.523 176.300 -0.282 0.000 1.081 376 M CA 2.076 56.854 55.300 -0.869 0.000 1.072 376 M CB -0.550 31.505 32.600 -0.908 0.000 1.318 376 M HN 0.244 nan 8.290 nan 0.000 0.405 377 D N -0.767 119.482 120.400 -0.252 0.000 2.348 377 D HA 0.102 4.740 4.640 -0.002 0.000 0.211 377 D C 1.662 177.893 176.300 -0.114 0.000 0.998 377 D CA 0.734 54.678 54.000 -0.094 0.000 0.873 377 D CB 0.151 40.939 40.800 -0.021 0.000 0.925 377 D HN 0.387 nan 8.370 nan 0.000 0.524 378 L N -0.549 120.552 121.223 -0.203 0.000 2.575 378 L HA 0.097 4.435 4.340 -0.002 0.000 0.228 378 L C 2.037 178.905 176.870 -0.003 0.000 1.075 378 L CA 0.096 54.835 54.840 -0.167 0.000 0.867 378 L CB 0.464 42.334 42.059 -0.315 0.000 1.097 378 L HN -0.148 nan 8.230 nan 0.000 0.485 379 V N 0.279 120.202 119.914 0.015 0.000 2.490 379 V HA -0.248 3.871 4.120 -0.002 0.000 0.250 379 V C 2.552 178.742 176.094 0.160 0.000 1.061 379 V CA 2.198 64.575 62.300 0.127 0.000 1.064 379 V CB -0.233 31.763 31.823 0.288 0.000 0.670 379 V HN 0.614 nan 8.190 nan 0.000 0.461 380 S N -1.480 114.298 115.700 0.130 0.000 2.562 380 S HA -0.010 4.459 4.470 -0.002 0.000 0.221 380 S C 1.590 176.252 174.600 0.103 0.000 0.975 380 S CA 0.914 59.179 58.200 0.109 0.000 0.918 380 S CB 0.018 63.265 63.200 0.080 0.000 0.772 380 S HN 0.466 nan 8.310 nan 0.000 0.531 381 S N 0.867 116.648 115.700 0.134 0.000 2.577 381 S HA 0.454 4.923 4.470 -0.002 0.000 0.219 381 S C 0.438 175.196 174.600 0.263 0.000 0.962 381 S CA -0.395 57.949 58.200 0.240 0.000 0.921 381 S CB -0.126 63.173 63.200 0.165 0.000 0.789 381 S HN 0.420 nan 8.310 nan 0.000 0.497 382 L N 0.529 121.833 121.223 0.136 0.000 2.693 382 L HA 0.484 4.822 4.340 -0.002 0.000 0.253 382 L C 0.942 177.859 176.870 0.080 0.000 1.155 382 L CA -0.890 53.962 54.840 0.021 0.000 1.026 382 L CB 0.236 42.164 42.059 -0.218 0.000 1.817 382 L HN 0.133 nan 8.230 nan 0.000 0.556 383 S N -0.623 115.135 115.700 0.097 0.000 2.608 383 S HA 0.100 4.568 4.470 -0.002 0.000 0.261 383 S C 0.951 175.649 174.600 0.163 0.000 1.314 383 S CA -0.405 57.873 58.200 0.130 0.000 0.992 383 S CB 1.124 64.411 63.200 0.145 0.000 0.935 383 S HN 0.533 nan 8.310 nan 0.000 0.564 384 R N 1.029 121.589 120.500 0.101 0.000 2.113 384 R HA -0.114 4.224 4.340 -0.002 0.000 0.244 384 R C 2.169 178.520 176.300 0.085 0.000 1.142 384 R CA 2.616 58.761 56.100 0.075 0.000 0.953 384 R CB -2.121 28.205 30.300 0.043 0.000 0.860 384 R HN 0.884 nan 8.270 nan 0.000 0.438 385 T N 0.253 114.851 114.554 0.073 0.000 2.699 385 T HA -0.179 4.169 4.350 -0.002 0.000 0.268 385 T C 1.662 176.351 174.700 -0.018 0.000 1.036 385 T CA 1.887 63.987 62.100 -0.000 0.000 1.147 385 T CB -0.421 68.409 68.868 -0.064 0.000 0.862 385 T HN 0.301 nan 8.240 nan 0.000 0.446 386 Y N 1.232 121.572 120.300 0.066 0.000 2.220 386 Y HA 0.006 4.555 4.550 -0.002 0.000 0.291 386 Y C 2.531 178.502 175.900 0.119 0.000 1.129 386 Y CA 0.875 59.034 58.100 0.099 0.000 1.161 386 Y CB -0.159 38.344 38.460 0.073 0.000 0.997 386 Y HN 0.092 nan 8.280 nan 0.000 0.522 387 K N 0.279 120.819 120.400 0.234 0.000 2.074 387 K HA -0.252 4.066 4.320 -0.002 0.000 0.209 387 K C 1.870 178.534 176.600 0.106 0.000 1.048 387 K CA 1.990 58.366 56.287 0.148 0.000 0.926 387 K CB -0.234 32.322 32.500 0.093 0.000 0.713 387 K HN 0.440 nan 8.250 nan 0.000 0.444 388 E N 0.355 120.605 120.200 0.082 0.000 2.153 388 E HA -0.155 4.194 4.350 -0.002 0.000 0.194 388 E C 1.966 178.598 176.600 0.054 0.000 0.988 388 E CA 1.417 57.845 56.400 0.048 0.000 0.811 388 E CB -0.030 29.689 29.700 0.031 0.000 0.746 388 E HN 0.330 nan 8.360 nan 0.000 0.466 389 S N 0.554 116.318 115.700 0.107 0.000 2.500 389 S HA -0.129 4.339 4.470 -0.002 0.000 0.239 389 S C 1.795 176.413 174.600 0.030 0.000 0.989 389 S CA 0.653 58.953 58.200 0.168 0.000 0.951 389 S CB -0.057 63.335 63.200 0.321 0.000 0.759 389 S HN 0.132 nan 8.310 nan 0.000 0.523 390 R N 0.745 121.180 120.500 -0.108 0.000 2.275 390 R HA 0.172 4.510 4.340 -0.002 0.000 0.199 390 R C 1.309 177.472 176.300 -0.229 0.000 0.989 390 R CA 0.295 56.106 56.100 -0.482 0.000 1.016 390 R CB -0.150 30.044 30.300 -0.178 0.000 0.918 390 R HN 0.385 nan 8.270 nan 0.000 0.473 391 N N 1.035 119.687 118.700 -0.081 0.000 2.058 391 N HA -0.140 4.599 4.740 -0.002 0.000 0.191 391 N C 1.549 177.067 175.510 0.012 0.000 1.037 391 N CA 1.694 54.734 53.050 -0.016 0.000 0.848 391 N CB -0.299 38.190 38.487 0.002 0.000 1.021 391 N HN 0.188 nan 8.380 nan 0.000 0.422 392 A N 0.101 122.940 122.820 0.031 0.000 1.969 392 A HA -0.076 4.243 4.320 -0.002 0.000 0.218 392 A C 2.141 179.795 177.584 0.117 0.000 1.169 392 A CA 0.741 52.821 52.037 0.071 0.000 0.635 392 A CB -0.901 18.153 19.000 0.090 0.000 0.810 392 A HN 0.349 nan 8.150 nan 0.000 0.445 393 F N 1.420 121.338 119.950 -0.054 0.000 2.102 393 F HA -0.264 4.262 4.527 -0.002 0.000 0.298 393 F C 2.551 178.371 175.800 0.032 0.000 1.105 393 F CA 2.128 60.127 58.000 -0.002 0.000 1.239 393 F CB -0.047 38.883 39.000 -0.117 0.000 0.991 393 F HN 0.322 nan 8.300 nan 0.000 0.474 394 R N 0.632 121.126 120.500 -0.009 0.000 2.119 394 R HA -0.089 4.250 4.340 -0.002 0.000 0.222 394 R C 2.191 178.534 176.300 0.071 0.000 1.088 394 R CA 1.567 57.692 56.100 0.041 0.000 0.984 394 R CB -0.757 29.629 30.300 0.143 0.000 0.884 394 R HN 0.243 nan 8.270 nan 0.000 0.447 395 K N 0.867 121.288 120.400 0.036 0.000 2.032 395 K HA -0.131 4.188 4.320 -0.002 0.000 0.209 395 K C 2.092 178.693 176.600 0.003 0.000 1.048 395 K CA 1.682 57.990 56.287 0.034 0.000 0.927 395 K CB -0.322 32.195 32.500 0.028 0.000 0.712 395 K HN 0.313 nan 8.250 nan 0.000 0.441 396 A N 0.566 123.366 122.820 -0.032 0.000 1.933 396 A HA -0.120 4.199 4.320 -0.002 0.000 0.218 396 A C 1.920 179.438 177.584 -0.110 0.000 1.175 396 A CA 1.271 53.284 52.037 -0.040 0.000 0.628 396 A CB -0.308 18.694 19.000 0.003 0.000 0.814 396 A HN 0.293 nan 8.150 nan 0.000 0.444 397 L N -3.139 117.899 121.223 -0.308 0.000 2.307 397 L HA 0.127 4.466 4.340 -0.002 0.000 0.211 397 L C 1.515 178.069 176.870 -0.527 0.000 1.099 397 L CA 1.446 55.945 54.840 -0.569 0.000 0.816 397 L CB -0.348 41.039 42.059 -1.121 0.000 0.952 397 L HN 0.507 nan 8.230 nan 0.000 0.455 398 Y N -2.108 118.205 120.300 0.022 0.000 2.425 398 Y HA 0.468 5.016 4.550 -0.002 0.000 0.261 398 Y C 1.860 177.788 175.900 0.046 0.000 1.084 398 Y CA 0.071 58.205 58.100 0.056 0.000 1.248 398 Y CB 0.277 38.703 38.460 -0.056 0.000 1.270 398 Y HN 0.010 nan 8.280 nan 0.000 0.524 399 G N 0.735 109.620 108.800 0.141 0.000 2.199 399 G HA2 -0.312 3.646 3.960 -0.002 0.000 0.254 399 G HA3 -0.312 3.646 3.960 -0.002 0.000 0.254 399 G C 0.443 175.380 174.900 0.062 0.000 0.982 399 G CA 0.393 45.548 45.100 0.091 0.000 0.632 399 G HN 0.437 nan 8.290 nan 0.000 0.529 400 T N -0.674 113.921 114.554 0.069 0.000 2.907 400 T HA 0.517 4.866 4.350 -0.002 0.000 0.298 400 T C 1.339 176.044 174.700 0.009 0.000 1.017 400 T CA 0.960 63.071 62.100 0.018 0.000 1.118 400 T CB 1.586 70.447 68.868 -0.013 0.000 0.948 400 T HN 0.952 nan 8.240 nan 0.000 0.531 401 T N -1.748 112.800 114.554 -0.009 0.000 3.054 401 T HA 0.353 4.702 4.350 -0.002 0.000 0.255 401 T C 0.563 175.253 174.700 -0.017 0.000 1.035 401 T CA -0.097 61.998 62.100 -0.008 0.000 0.941 401 T CB 0.078 68.940 68.868 -0.010 0.000 1.026 401 T HN 0.773 nan 8.240 nan 0.000 0.533 402 S N 0.068 115.750 115.700 -0.029 0.000 2.556 402 S HA 0.410 4.878 4.470 -0.002 0.000 0.271 402 S C -1.483 173.086 174.600 -0.052 0.000 1.135 402 S CA -0.691 57.488 58.200 -0.036 0.000 0.858 402 S CB 1.943 65.118 63.200 -0.041 0.000 1.114 402 S HN 0.338 nan 8.310 nan 0.000 0.468 403 E N 1.846 122.015 120.200 -0.052 0.000 2.414 403 E HA 0.151 4.500 4.350 -0.002 0.000 0.263 403 E C -0.099 176.442 176.600 -0.098 0.000 1.000 403 E CA 0.269 56.627 56.400 -0.071 0.000 0.914 403 E CB 0.570 30.235 29.700 -0.058 0.000 0.948 403 E HN 0.618 nan 8.360 nan 0.000 0.444 404 T N 2.233 116.711 114.554 -0.127 0.000 2.939 404 T HA 0.042 4.391 4.350 -0.002 0.000 0.319 404 T C 0.117 174.695 174.700 -0.204 0.000 1.082 404 T CA -0.034 61.964 62.100 -0.171 0.000 1.133 404 T CB 0.573 69.330 68.868 -0.185 0.000 1.019 404 T HN 0.564 nan 8.240 nan 0.000 0.548 405 A N 3.424 126.073 122.820 -0.286 0.000 2.531 405 A HA 0.163 4.482 4.320 -0.002 0.000 0.236 405 A C 1.787 179.157 177.584 -0.357 0.000 1.062 405 A CA -0.069 51.770 52.037 -0.330 0.000 0.760 405 A CB -0.112 18.584 19.000 -0.507 0.000 0.995 405 A HN 0.942 nan 8.150 nan 0.000 0.501 406 T N 2.294 116.732 114.554 -0.194 0.000 2.684 406 T HA -0.166 4.183 4.350 -0.002 0.000 0.267 406 T C 1.658 176.293 174.700 -0.107 0.000 1.036 406 T CA 2.034 64.051 62.100 -0.139 0.000 1.148 406 T CB -0.295 68.521 68.868 -0.086 0.000 0.863 406 T HN 0.917 nan 8.240 nan 0.000 0.436 407 W N 2.137 123.408 121.300 -0.048 0.000 2.374 407 W HA -0.064 4.595 4.660 -0.002 0.000 0.288 407 W C 1.763 178.347 176.519 0.108 0.000 1.218 407 W CA 0.454 57.815 57.345 0.026 0.000 1.245 407 W CB -0.831 28.680 29.460 0.086 0.000 1.126 407 W HN 0.225 nan 8.180 nan 0.000 0.545 408 R N 0.700 120.793 120.500 -0.678 0.000 2.062 408 R HA -0.035 4.303 4.340 -0.002 0.000 0.229 408 R C 2.608 178.794 176.300 -0.190 0.000 1.128 408 R CA 1.556 57.314 56.100 -0.570 0.000 0.960 408 R CB -0.462 29.330 30.300 -0.847 0.000 0.855 408 R HN 0.122 nan 8.270 nan 0.000 0.432 409 R N -0.033 120.357 120.500 -0.183 0.000 2.081 409 R HA -0.112 4.227 4.340 -0.002 0.000 0.235 409 R C 2.408 178.723 176.300 0.024 0.000 1.131 409 R CA 1.537 57.589 56.100 -0.079 0.000 0.960 409 R CB -0.342 29.896 30.300 -0.104 0.000 0.856 409 R HN 0.271 nan 8.270 nan 0.000 0.436 410 c N -0.305 118.311 118.600 0.027 0.000 2.476 410 c HA 0.009 4.578 4.570 -0.002 0.000 0.278 410 c C 2.899 177.169 174.090 0.300 0.000 1.274 410 c CA 0.628 57.017 56.329 0.100 0.000 1.713 410 c CB -0.879 41.581 42.510 -0.084 0.000 2.039 410 c HN 0.602 nan 8.230 nan 0.000 0.484 411 A N 1.483 124.527 122.820 0.373 0.000 1.892 411 A HA -0.230 4.089 4.320 -0.002 0.000 0.218 411 A C 1.896 179.560 177.584 0.134 0.000 1.188 411 A CA 2.212 54.413 52.037 0.273 0.000 0.631 411 A CB -0.687 18.471 19.000 0.264 0.000 0.822 411 A HN 0.656 nan 8.150 nan 0.000 0.447 412 N N -1.655 117.104 118.700 0.098 0.000 2.166 412 N HA -0.164 4.574 4.740 -0.002 0.000 0.186 412 N C 1.575 177.128 175.510 0.072 0.000 1.019 412 N CA 1.705 54.785 53.050 0.049 0.000 0.856 412 N CB -0.598 37.901 38.487 0.021 0.000 0.993 412 N HN 0.714 nan 8.380 nan 0.000 0.426 413 Y N 1.950 122.265 120.300 0.025 0.000 2.163 413 Y HA -0.192 4.357 4.550 -0.002 0.000 0.288 413 Y C 2.304 178.218 175.900 0.024 0.000 1.136 413 Y CA 1.517 59.636 58.100 0.031 0.000 1.147 413 Y CB -0.324 38.172 38.460 0.059 0.000 0.987 413 Y HN -0.061 nan 8.280 nan 0.000 0.509 414 V N -0.525 119.440 119.914 0.086 0.000 2.343 414 V HA -0.270 3.849 4.120 -0.002 0.000 0.247 414 V C 2.175 178.202 176.094 -0.112 0.000 1.051 414 V CA 2.303 64.586 62.300 -0.028 0.000 1.036 414 V CB -1.309 30.564 31.823 0.085 0.000 0.654 414 V HN 0.463 nan 8.190 nan 0.000 0.451 415 N N 2.314 120.974 118.700 -0.067 0.000 2.104 415 N HA -0.089 4.650 4.740 -0.002 0.000 0.190 415 N C 1.898 177.349 175.510 -0.099 0.000 1.024 415 N CA 2.204 55.208 53.050 -0.078 0.000 0.853 415 N CB -0.993 37.456 38.487 -0.064 0.000 1.008 415 N HN 0.581 nan 8.380 nan 0.000 0.424 416 G N -0.354 108.365 108.800 -0.135 0.000 2.432 416 G HA2 -0.213 3.746 3.960 -0.002 0.000 0.219 416 G HA3 -0.213 3.746 3.960 -0.002 0.000 0.219 416 G C 1.440 176.239 174.900 -0.169 0.000 1.135 416 G CA 0.637 45.649 45.100 -0.146 0.000 0.767 416 G HN 0.402 nan 8.290 nan 0.000 0.550 417 N N -0.434 118.112 118.700 -0.257 0.000 2.282 417 N HA 0.172 4.911 4.740 -0.002 0.000 0.185 417 N C 0.622 176.101 175.510 -0.052 0.000 1.099 417 N CA 0.223 53.156 53.050 -0.195 0.000 0.878 417 N CB 0.452 38.718 38.487 -0.368 0.000 0.993 417 N HN 0.297 nan 8.380 nan 0.000 0.481 418 M N 1.035 120.589 119.600 -0.076 0.000 3.718 418 M HA 0.109 4.588 4.480 -0.002 0.000 0.421 418 M C 0.654 176.964 176.300 0.017 0.000 1.795 418 M CA -0.082 55.182 55.300 -0.060 0.000 0.603 418 M CB 1.027 33.408 32.600 -0.365 0.000 1.428 418 M HN 0.020 nan 8.290 nan 0.000 0.514 419 E N -0.403 119.833 120.200 0.060 0.000 2.268 419 E HA -0.138 4.210 4.350 -0.002 0.000 0.195 419 E C 0.696 177.315 176.600 0.033 0.000 0.995 419 E CA 1.124 57.534 56.400 0.017 0.000 0.836 419 E CB 0.063 29.766 29.700 0.006 0.000 0.763 419 E HN 0.494 nan 8.360 nan 0.000 0.491 420 N N 1.600 120.365 118.700 0.108 0.000 2.207 420 N HA -0.012 4.726 4.740 -0.002 0.000 0.182 420 N C 1.927 177.485 175.510 0.080 0.000 1.020 420 N CA 1.491 54.588 53.050 0.079 0.000 0.858 420 N CB -0.360 38.183 38.487 0.094 0.000 0.991 420 N HN 0.303 nan 8.380 nan 0.000 0.427 421 A N 0.956 123.858 122.820 0.137 0.000 1.877 421 A HA -0.093 4.226 4.320 -0.002 0.000 0.216 421 A C 2.468 180.037 177.584 -0.025 0.000 1.186 421 A CA 1.541 53.596 52.037 0.030 0.000 0.620 421 A CB -0.859 18.069 19.000 -0.119 0.000 0.822 421 A HN 0.098 nan 8.150 nan 0.000 0.443 422 V N -0.045 119.844 119.914 -0.041 0.000 2.427 422 V HA -0.136 3.983 4.120 -0.002 0.000 0.248 422 V C 2.813 178.902 176.094 -0.009 0.000 1.051 422 V CA 1.755 64.031 62.300 -0.039 0.000 1.048 422 V CB -1.526 30.263 31.823 -0.057 0.000 0.666 422 V HN 0.620 nan 8.190 nan 0.000 0.456 423 G N 0.033 108.821 108.800 -0.020 0.000 2.440 423 G HA2 -0.325 3.634 3.960 -0.002 0.000 0.218 423 G HA3 -0.325 3.634 3.960 -0.002 0.000 0.218 423 G C 1.706 176.581 174.900 -0.041 0.000 1.154 423 G CA 1.079 46.169 45.100 -0.017 0.000 0.767 423 G HN 0.442 nan 8.290 nan 0.000 0.552 424 R N 0.111 120.569 120.500 -0.071 0.000 2.080 424 R HA -0.007 4.332 4.340 -0.002 0.000 0.236 424 R C 2.602 178.843 176.300 -0.097 0.000 1.137 424 R CA 1.433 57.463 56.100 -0.116 0.000 0.943 424 R CB -0.474 29.785 30.300 -0.068 0.000 0.846 424 R HN 0.405 nan 8.270 nan 0.000 0.431 425 L N -0.229 120.967 121.223 -0.045 0.000 2.046 425 L HA -0.207 4.132 4.340 -0.002 0.000 0.208 425 L C 2.563 179.424 176.870 -0.016 0.000 1.077 425 L CA 1.461 56.279 54.840 -0.036 0.000 0.747 425 L CB -0.688 41.354 42.059 -0.029 0.000 0.896 425 L HN 0.280 nan 8.230 nan 0.000 0.432 426 Y N 0.800 121.039 120.300 -0.102 0.000 2.181 426 Y HA -0.222 4.327 4.550 -0.002 0.000 0.288 426 Y C 2.453 178.310 175.900 -0.072 0.000 1.146 426 Y CA 1.855 59.907 58.100 -0.079 0.000 1.164 426 Y CB -0.305 38.108 38.460 -0.078 0.000 0.982 426 Y HN 0.042 nan 8.280 nan 0.000 0.515 427 V N -1.890 117.909 119.914 -0.191 0.000 2.453 427 V HA -0.161 3.958 4.120 -0.002 0.000 0.247 427 V C 1.893 177.866 176.094 -0.201 0.000 1.048 427 V CA 1.924 64.071 62.300 -0.255 0.000 1.049 427 V CB -0.915 30.642 31.823 -0.443 0.000 0.672 427 V HN 0.395 nan 8.190 nan 0.000 0.457 428 E N 1.345 121.431 120.200 -0.190 0.000 2.118 428 E HA -0.172 4.177 4.350 -0.002 0.000 0.195 428 E C 2.328 178.855 176.600 -0.122 0.000 0.992 428 E CA 1.622 57.942 56.400 -0.133 0.000 0.804 428 E CB -0.362 29.275 29.700 -0.106 0.000 0.741 428 E HN 0.746 nan 8.360 nan 0.000 0.458 429 A N 0.412 123.140 122.820 -0.153 0.000 1.930 429 A HA 0.157 4.475 4.320 -0.002 0.000 0.215 429 A C 2.044 179.530 177.584 -0.164 0.000 1.176 429 A CA 1.523 53.475 52.037 -0.141 0.000 0.632 429 A CB 0.106 19.028 19.000 -0.130 0.000 0.819 429 A HN 0.271 nan 8.150 nan 0.000 0.445 430 A N -3.062 119.609 122.820 -0.249 0.000 2.377 430 A HA 0.564 4.883 4.320 -0.002 0.000 0.209 430 A C 0.026 177.533 177.584 -0.128 0.000 1.359 430 A CA -0.125 51.738 52.037 -0.290 0.000 1.026 430 A CB 0.282 18.865 19.000 -0.694 0.000 1.224 430 A HN 0.474 nan 8.150 nan 0.000 0.528 431 F N -0.340 119.455 119.950 -0.258 0.000 2.529 431 F HA 0.608 5.133 4.527 -0.002 0.000 0.320 431 F C 1.034 176.817 175.800 -0.030 0.000 1.118 431 F CA -0.379 57.551 58.000 -0.117 0.000 0.915 431 F CB 1.807 40.752 39.000 -0.090 0.000 1.161 431 F HN 0.120 nan 8.300 nan 0.000 0.445 432 A N 4.045 126.402 122.820 -0.772 0.000 1.827 432 A HA 0.333 4.652 4.320 -0.002 0.000 0.215 432 A C 1.717 179.069 177.584 -0.387 0.000 1.212 432 A CA 2.244 53.997 52.037 -0.473 0.000 0.624 432 A CB -1.309 17.451 19.000 -0.401 0.000 0.853 432 A HN 1.678 nan 8.150 nan 0.000 0.450 433 G N -2.719 105.777 108.800 -0.508 0.000 2.650 433 G HA2 -0.119 3.840 3.960 -0.002 0.000 0.193 433 G HA3 -0.119 3.840 3.960 -0.002 0.000 0.193 433 G C 0.575 175.328 174.900 -0.246 0.000 2.403 433 G CA 0.476 45.446 45.100 -0.216 0.000 1.493 433 G HN 0.312 nan 8.290 nan 0.000 0.459 434 E N 2.040 122.148 120.200 -0.153 0.000 2.489 434 E HA 0.110 4.458 4.350 -0.002 0.000 0.193 434 E C 2.460 179.053 176.600 -0.010 0.000 1.057 434 E CA 1.007 57.383 56.400 -0.041 0.000 0.866 434 E CB 0.371 30.115 29.700 0.074 0.000 0.916 434 E HN 0.567 nan 8.360 nan 0.000 0.500 435 S N 1.913 117.572 115.700 -0.069 0.000 2.359 435 S HA -0.265 4.204 4.470 -0.002 0.000 0.223 435 S C 2.007 176.593 174.600 -0.024 0.000 1.039 435 S CA 1.448 59.697 58.200 0.081 0.000 1.042 435 S CB -0.343 62.883 63.200 0.044 0.000 0.915 435 S HN 0.177 nan 8.310 nan 0.000 0.439 436 K N 1.104 121.464 120.400 -0.066 0.000 2.077 436 K HA -0.262 4.057 4.320 -0.002 0.000 0.213 436 K C 2.052 178.591 176.600 -0.102 0.000 1.051 436 K CA 2.089 58.331 56.287 -0.074 0.000 0.929 436 K CB -0.329 32.053 32.500 -0.196 0.000 0.715 436 K HN 0.688 nan 8.250 nan 0.000 0.451 437 H N -1.334 117.742 119.070 0.011 0.000 2.403 437 H HA -0.024 4.531 4.556 -0.002 0.000 0.298 437 H C 2.003 177.323 175.328 -0.014 0.000 1.059 437 H CA 0.912 56.962 56.048 0.003 0.000 1.363 437 H CB 0.327 30.099 29.762 0.017 0.000 1.410 437 H HN -0.031 nan 8.280 nan 0.000 0.528 438 V N 0.305 120.279 119.914 0.100 0.000 2.358 438 V HA -0.216 3.903 4.120 -0.002 0.000 0.246 438 V C 2.337 178.365 176.094 -0.111 0.000 1.047 438 V CA 1.288 63.620 62.300 0.054 0.000 1.035 438 V CB -0.342 31.596 31.823 0.191 0.000 0.658 438 V HN 0.255 nan 8.190 nan 0.000 0.452 439 V N -0.129 119.617 119.914 -0.279 0.000 2.343 439 V HA -0.292 3.827 4.120 -0.002 0.000 0.247 439 V C 2.439 178.393 176.094 -0.233 0.000 1.051 439 V CA 2.105 64.167 62.300 -0.397 0.000 1.036 439 V CB -0.677 30.866 31.823 -0.466 0.000 0.654 439 V HN 0.613 nan 8.190 nan 0.000 0.451 440 E N -0.246 119.890 120.200 -0.107 0.000 2.114 440 E HA -0.335 4.014 4.350 -0.002 0.000 0.199 440 E C 1.946 178.528 176.600 -0.031 0.000 1.008 440 E CA 1.931 58.311 56.400 -0.033 0.000 0.810 440 E CB -0.192 29.540 29.700 0.054 0.000 0.739 440 E HN 0.694 nan 8.360 nan 0.000 0.456 441 D N 0.025 120.411 120.400 -0.023 0.000 2.097 441 D HA -0.095 4.544 4.640 -0.002 0.000 0.197 441 D C 1.934 178.219 176.300 -0.025 0.000 0.984 441 D CA 0.722 54.722 54.000 0.001 0.000 0.826 441 D CB 0.084 40.903 40.800 0.031 0.000 0.973 441 D HN 0.045 nan 8.370 nan 0.000 0.460 442 L N 0.152 121.310 121.223 -0.109 0.000 2.079 442 L HA -0.145 4.193 4.340 -0.002 0.000 0.210 442 L C 2.347 179.150 176.870 -0.111 0.000 1.081 442 L CA 0.706 55.445 54.840 -0.168 0.000 0.752 442 L CB -0.401 41.458 42.059 -0.334 0.000 0.896 442 L HN 0.199 nan 8.230 nan 0.000 0.433 443 I N -0.231 120.264 120.570 -0.125 0.000 2.233 443 I HA -0.207 3.962 4.170 -0.002 0.000 0.243 443 I C 2.857 178.973 176.117 -0.001 0.000 1.093 443 I CA 0.900 62.152 61.300 -0.079 0.000 1.380 443 I CB -0.455 37.487 38.000 -0.095 0.000 1.067 443 I HN 0.160 nan 8.210 nan 0.000 0.413 444 A N 0.383 123.208 122.820 0.008 0.000 1.896 444 A HA -0.367 3.951 4.320 -0.002 0.000 0.220 444 A C 2.251 179.870 177.584 0.057 0.000 1.206 444 A CA 2.340 54.397 52.037 0.034 0.000 0.647 444 A CB -0.895 18.126 19.000 0.035 0.000 0.828 444 A HN 0.500 nan 8.150 nan 0.000 0.455 445 Q N -1.225 118.616 119.800 0.068 0.000 2.079 445 Q HA -0.031 4.308 4.340 -0.002 0.000 0.200 445 Q C 2.004 178.080 176.000 0.127 0.000 0.974 445 Q CA 1.530 57.401 55.803 0.113 0.000 0.840 445 Q CB -0.171 28.669 28.738 0.170 0.000 0.898 445 Q HN 0.784 nan 8.270 nan 0.000 0.430 446 I N -0.299 120.340 120.570 0.114 0.000 2.584 446 I HA -0.158 4.011 4.170 -0.002 0.000 0.255 446 I C 2.450 178.656 176.117 0.148 0.000 1.145 446 I CA 0.388 61.775 61.300 0.144 0.000 1.462 446 I CB -0.130 37.946 38.000 0.127 0.000 1.102 446 I HN 0.100 nan 8.210 nan 0.000 0.433 447 R N 1.135 121.699 120.500 0.106 0.000 2.091 447 R HA -0.254 4.085 4.340 -0.002 0.000 0.238 447 R C 2.165 178.548 176.300 0.137 0.000 1.136 447 R CA 1.979 58.139 56.100 0.100 0.000 0.959 447 R CB -0.083 30.253 30.300 0.060 0.000 0.856 447 R HN 0.213 nan 8.270 nan 0.000 0.437 448 E N 0.002 120.268 120.200 0.111 0.000 2.106 448 E HA -0.104 4.245 4.350 -0.002 0.000 0.192 448 E C 1.874 178.538 176.600 0.107 0.000 0.984 448 E CA 1.278 57.736 56.400 0.096 0.000 0.806 448 E CB -0.095 29.649 29.700 0.074 0.000 0.750 448 E HN 0.173 nan 8.360 nan 0.000 0.458 449 V N 0.691 120.681 119.914 0.127 0.000 2.343 449 V HA -0.204 3.915 4.120 -0.002 0.000 0.247 449 V C 2.109 178.280 176.094 0.128 0.000 1.051 449 V CA 1.903 64.275 62.300 0.119 0.000 1.036 449 V CB -0.684 31.225 31.823 0.143 0.000 0.654 449 V HN 0.343 nan 8.190 nan 0.000 0.451 450 F N 0.602 120.566 119.950 0.023 0.000 2.075 450 F HA -0.202 4.324 4.527 -0.002 0.000 0.297 450 F C 2.112 177.878 175.800 -0.056 0.000 1.113 450 F CA 1.819 59.804 58.000 -0.024 0.000 1.218 450 F CB -0.279 38.672 39.000 -0.081 0.000 0.984 450 F HN 0.048 nan 8.300 nan 0.000 0.472 451 I N 0.440 121.127 120.570 0.195 0.000 2.118 451 I HA -0.398 3.771 4.170 -0.002 0.000 0.241 451 I C 2.533 178.622 176.117 -0.047 0.000 1.070 451 I CA 1.899 63.235 61.300 0.061 0.000 1.327 451 I CB -0.705 37.351 38.000 0.092 0.000 1.034 451 I HN 0.275 nan 8.210 nan 0.000 0.405 452 Q N -0.274 119.518 119.800 -0.013 0.000 2.135 452 Q HA -0.214 4.124 4.340 -0.002 0.000 0.204 452 Q C 2.145 178.110 176.000 -0.059 0.000 0.981 452 Q CA 2.111 57.900 55.803 -0.025 0.000 0.856 452 Q CB -0.249 28.491 28.738 0.003 0.000 0.902 452 Q HN 0.504 nan 8.270 nan 0.000 0.425 453 T N 1.264 115.764 114.554 -0.090 0.000 3.007 453 T HA -0.030 4.319 4.350 -0.002 0.000 0.270 453 T C 1.702 176.318 174.700 -0.141 0.000 1.107 453 T CA 0.424 62.468 62.100 -0.095 0.000 1.118 453 T CB -0.047 68.768 68.868 -0.088 0.000 0.889 453 T HN 0.212 nan 8.240 nan 0.000 0.506 454 L N 0.903 122.004 121.223 -0.203 0.000 2.127 454 L HA -0.152 4.187 4.340 -0.002 0.000 0.211 454 L C 2.060 178.838 176.870 -0.152 0.000 1.089 454 L CA 1.151 55.870 54.840 -0.201 0.000 0.757 454 L CB -0.463 41.482 42.059 -0.190 0.000 0.899 454 L HN 0.194 nan 8.230 nan 0.000 0.434 455 D N -0.628 119.708 120.400 -0.107 0.000 2.234 455 D HA -0.124 4.515 4.640 -0.002 0.000 0.205 455 D C 1.566 177.822 176.300 -0.074 0.000 0.962 455 D CA 0.801 54.752 54.000 -0.083 0.000 0.855 455 D CB -0.116 40.650 40.800 -0.056 0.000 0.951 455 D HN 0.281 nan 8.370 nan 0.000 0.500 456 D N 0.002 120.363 120.400 -0.065 0.000 2.355 456 D HA 0.013 4.652 4.640 -0.002 0.000 0.218 456 D C 0.449 176.717 176.300 -0.053 0.000 1.004 456 D CA 0.155 54.130 54.000 -0.040 0.000 0.880 456 D CB 0.691 41.483 40.800 -0.013 0.000 0.911 456 D HN 0.219 nan 8.370 nan 0.000 0.528 457 L N 1.751 122.901 121.223 -0.122 0.000 2.261 457 L HA 0.128 4.467 4.340 -0.002 0.000 0.289 457 L C 1.501 178.203 176.870 -0.280 0.000 1.059 457 L CA -0.137 54.577 54.840 -0.211 0.000 0.816 457 L CB 1.344 43.174 42.059 -0.382 0.000 1.191 457 L HN -0.096 nan 8.230 nan 0.000 0.431 458 T N -1.846 112.637 114.554 -0.118 0.000 3.107 458 T HA -0.024 4.324 4.350 -0.002 0.000 0.249 458 T C 1.103 175.807 174.700 0.007 0.000 1.096 458 T CA -0.369 61.704 62.100 -0.045 0.000 1.012 458 T CB -0.044 68.844 68.868 0.033 0.000 0.977 458 T HN 0.761 nan 8.240 nan 0.000 0.527 459 W N 0.987 122.270 121.300 -0.028 0.000 3.239 459 W HA 0.554 5.214 4.660 -0.001 0.000 0.348 459 W C -0.333 176.200 176.519 0.024 0.000 1.183 459 W CA -0.997 56.337 57.345 -0.018 0.000 1.819 459 W CB -0.684 28.743 29.460 -0.055 0.000 1.091 459 W HN 0.172 nan 8.180 nan 0.000 0.629 460 M N 2.087 121.476 119.600 -0.352 0.000 2.598 460 M HA 0.215 4.693 4.480 -0.002 0.000 0.317 460 M C -0.407 175.820 176.300 -0.121 0.000 1.179 460 M CA -0.656 54.499 55.300 -0.240 0.000 0.936 460 M CB 2.118 34.427 32.600 -0.484 0.000 1.713 460 M HN -0.201 nan 8.290 nan 0.000 0.460 461 D N 0.990 121.365 120.400 -0.041 0.000 2.506 461 D HA 0.538 5.176 4.640 -0.002 0.000 0.272 461 D C 0.644 176.915 176.300 -0.048 0.000 1.214 461 D CA -0.650 53.333 54.000 -0.028 0.000 1.067 461 D CB 0.650 41.457 40.800 0.012 0.000 1.117 461 D HN 0.589 nan 8.370 nan 0.000 0.578 462 A N -0.660 122.141 122.820 -0.032 0.000 1.935 462 A HA -0.106 4.213 4.320 -0.002 0.000 0.214 462 A C 1.863 179.428 177.584 -0.032 0.000 1.178 462 A CA 1.142 53.156 52.037 -0.038 0.000 0.640 462 A CB -0.964 18.020 19.000 -0.027 0.000 0.825 462 A HN 0.744 nan 8.150 nan 0.000 0.447 463 E N -0.747 119.444 120.200 -0.015 0.000 2.106 463 E HA -0.134 4.215 4.350 -0.002 0.000 0.192 463 E C 1.665 178.261 176.600 -0.008 0.000 0.984 463 E CA 1.598 57.995 56.400 -0.006 0.000 0.806 463 E CB -0.723 28.985 29.700 0.014 0.000 0.750 463 E HN 0.375 nan 8.360 nan 0.000 0.458 464 T N 1.102 115.644 114.554 -0.021 0.000 2.812 464 T HA -0.048 4.301 4.350 -0.002 0.000 0.264 464 T C 1.694 176.358 174.700 -0.060 0.000 1.042 464 T CA 1.123 63.191 62.100 -0.053 0.000 1.140 464 T CB -0.059 68.735 68.868 -0.124 0.000 0.870 464 T HN 0.149 nan 8.240 nan 0.000 0.445 465 K N 1.070 121.419 120.400 -0.085 0.000 2.074 465 K HA -0.124 4.194 4.320 -0.002 0.000 0.209 465 K C 2.375 178.935 176.600 -0.066 0.000 1.048 465 K CA 1.106 57.340 56.287 -0.088 0.000 0.926 465 K CB -0.090 32.343 32.500 -0.111 0.000 0.713 465 K HN 0.191 nan 8.250 nan 0.000 0.444 466 K N 1.002 121.366 120.400 -0.061 0.000 2.228 466 K HA -0.098 4.221 4.320 -0.002 0.000 0.202 466 K C 1.985 178.528 176.600 -0.095 0.000 1.051 466 K CA 0.908 57.157 56.287 -0.063 0.000 0.960 466 K CB 0.164 32.635 32.500 -0.048 0.000 0.743 466 K HN -0.107 nan 8.250 nan 0.000 0.458 467 R N 0.502 120.937 120.500 -0.109 0.000 2.092 467 R HA 0.034 4.373 4.340 -0.002 0.000 0.231 467 R C 2.152 178.168 176.300 -0.474 0.000 1.119 467 R CA 1.462 57.410 56.100 -0.253 0.000 0.970 467 R CB -0.449 29.787 30.300 -0.106 0.000 0.864 467 R HN 0.295 nan 8.270 nan 0.000 0.440 468 A N 0.308 122.982 122.820 -0.244 0.000 1.873 468 A HA -0.198 4.120 4.320 -0.002 0.000 0.215 468 A C 2.033 179.607 177.584 -0.017 0.000 1.186 468 A CA 1.587 53.573 52.037 -0.086 0.000 0.616 468 A CB -0.564 18.509 19.000 0.121 0.000 0.823 468 A HN 0.456 nan 8.150 nan 0.000 0.442 469 E N 0.260 120.440 120.200 -0.033 0.000 2.065 469 E HA -0.295 4.054 4.350 -0.002 0.000 0.201 469 E C 1.846 178.429 176.600 -0.029 0.000 1.016 469 E CA 1.956 58.353 56.400 -0.004 0.000 0.818 469 E CB -0.262 29.421 29.700 -0.027 0.000 0.749 469 E HN 0.741 nan 8.360 nan 0.000 0.453 470 E N 0.424 120.565 120.200 -0.099 0.000 2.070 470 E HA -0.248 4.101 4.350 -0.002 0.000 0.197 470 E C 2.251 178.781 176.600 -0.117 0.000 1.004 470 E CA 1.223 57.554 56.400 -0.116 0.000 0.805 470 E CB -0.185 29.415 29.700 -0.167 0.000 0.744 470 E HN 0.187 nan 8.360 nan 0.000 0.451 471 K N 0.537 120.832 120.400 -0.176 0.000 2.057 471 K HA -0.150 4.169 4.320 -0.002 0.000 0.207 471 K C 2.231 178.846 176.600 0.026 0.000 1.049 471 K CA 1.059 57.270 56.287 -0.128 0.000 0.931 471 K CB -0.135 32.239 32.500 -0.211 0.000 0.714 471 K HN 0.096 nan 8.250 nan 0.000 0.440 472 A N 1.278 124.180 122.820 0.136 0.000 1.908 472 A HA -0.162 4.157 4.320 -0.002 0.000 0.218 472 A C 2.079 179.679 177.584 0.027 0.000 1.181 472 A CA 1.387 53.477 52.037 0.089 0.000 0.627 472 A CB -0.576 18.472 19.000 0.080 0.000 0.818 472 A HN 0.294 nan 8.150 nan 0.000 0.445 473 L N -1.227 120.005 121.223 0.014 0.000 2.217 473 L HA -0.064 4.275 4.340 -0.002 0.000 0.211 473 L C 2.750 179.616 176.870 -0.007 0.000 1.107 473 L CA 0.793 55.636 54.840 0.005 0.000 0.783 473 L CB -0.307 41.749 42.059 -0.004 0.000 0.919 473 L HN 0.415 nan 8.230 nan 0.000 0.442 474 A N -0.307 122.502 122.820 -0.019 0.000 2.178 474 A HA 0.170 4.488 4.320 -0.002 0.000 0.211 474 A C 1.114 178.685 177.584 -0.023 0.000 1.157 474 A CA -0.182 51.838 52.037 -0.028 0.000 0.780 474 A CB -0.332 18.640 19.000 -0.047 0.000 0.828 474 A HN 0.221 nan 8.150 nan 0.000 0.476 475 I N 1.445 122.010 120.570 -0.009 0.000 2.668 475 I HA -0.030 4.139 4.170 -0.002 0.000 0.285 475 I C 0.345 176.460 176.117 -0.004 0.000 1.168 475 I CA 0.381 61.684 61.300 0.004 0.000 1.424 475 I CB 0.497 38.515 38.000 0.030 0.000 1.377 475 I HN 0.046 nan 8.210 nan 0.000 0.560 476 K N 8.067 128.448 120.400 -0.031 0.000 2.234 476 K HA 0.207 4.525 4.320 -0.002 0.000 0.277 476 K C -0.148 176.417 176.600 -0.058 0.000 1.038 476 K CA -0.410 55.849 56.287 -0.047 0.000 0.888 476 K CB 1.157 33.611 32.500 -0.077 0.000 1.091 476 K HN 0.603 nan 8.250 nan 0.000 0.467 477 E N 4.206 124.393 120.200 -0.023 0.000 2.248 477 E HA 0.345 4.694 4.350 -0.002 0.000 0.272 477 E C -0.668 175.890 176.600 -0.071 0.000 1.008 477 E CA -0.732 55.673 56.400 0.008 0.000 0.856 477 E CB 1.367 31.125 29.700 0.098 0.000 1.120 477 E HN 0.220 nan 8.360 nan 0.000 0.397 478 R N 2.811 123.239 120.500 -0.120 0.000 2.510 478 R HA 0.481 4.820 4.340 -0.002 0.000 0.294 478 R C -0.822 175.423 176.300 -0.091 0.000 1.056 478 R CA -0.586 55.302 56.100 -0.353 0.000 0.918 478 R CB 1.043 30.717 30.300 -1.044 0.000 1.187 478 R HN 0.618 nan 8.270 nan 0.000 0.437 479 I N 1.272 121.973 120.570 0.218 0.000 2.439 479 I HA 0.394 4.563 4.170 -0.002 0.000 0.285 479 I C 1.063 177.412 176.117 0.387 0.000 1.021 479 I CA -0.258 61.226 61.300 0.305 0.000 1.091 479 I CB 1.989 40.083 38.000 0.157 0.000 1.242 479 I HN 0.841 nan 8.210 nan 0.000 0.439 480 G N 5.936 114.937 108.800 0.335 0.000 5.045 480 G HA2 -0.307 3.652 3.960 -0.002 0.000 0.229 480 G HA3 -0.307 3.652 3.960 -0.002 0.000 0.229 480 G C -0.266 174.666 174.900 0.054 0.000 1.440 480 G CA 0.722 45.842 45.100 0.033 0.000 0.936 480 G HN 0.995 nan 8.290 nan 0.000 0.690 481 Y N -1.902 118.299 120.300 -0.164 0.000 2.662 481 Y HA 0.649 5.198 4.550 -0.002 0.000 0.334 481 Y C -3.129 172.284 175.900 -0.812 0.000 1.185 481 Y CA -2.100 55.580 58.100 -0.700 0.000 1.074 481 Y CB 0.503 38.736 38.460 -0.379 0.000 1.330 481 Y HN 0.260 nan 8.280 nan 0.000 0.458 482 P HA 0.154 nan 4.420 nan 0.000 0.281 482 P C 0.272 177.503 177.300 -0.115 0.000 1.286 482 P CA 0.204 62.934 63.100 -0.615 0.000 0.772 482 P CB 1.038 32.261 31.700 -0.796 0.000 0.862 483 D N 2.481 122.831 120.400 -0.082 0.000 2.191 483 D HA -0.250 4.388 4.640 -0.002 0.000 0.190 483 D C 0.976 177.328 176.300 0.087 0.000 1.007 483 D CA 1.554 55.602 54.000 0.081 0.000 0.865 483 D CB -0.021 40.798 40.800 0.032 0.000 0.929 483 D HN 0.423 nan 8.370 nan 0.000 0.447 484 D N 0.446 120.861 120.400 0.025 0.000 2.339 484 D HA -0.224 4.415 4.640 -0.002 0.000 0.189 484 D C 2.120 178.428 176.300 0.013 0.000 1.022 484 D CA 1.379 55.386 54.000 0.011 0.000 0.884 484 D CB -0.515 40.276 40.800 -0.015 0.000 0.916 484 D HN 0.544 nan 8.370 nan 0.000 0.453 485 I N -2.524 118.049 120.570 0.005 0.000 3.059 485 I HA -0.065 4.104 4.170 -0.002 0.000 0.270 485 I C 1.812 177.924 176.117 -0.008 0.000 1.238 485 I CA 0.401 61.694 61.300 -0.012 0.000 1.478 485 I CB 0.088 38.059 38.000 -0.049 0.000 1.097 485 I HN -0.161 nan 8.210 nan 0.000 0.455 486 V N 1.047 120.971 119.914 0.017 0.000 2.672 486 V HA -0.026 4.093 4.120 -0.002 0.000 0.242 486 V C 2.425 178.533 176.094 0.023 0.000 1.059 486 V CA 1.535 63.837 62.300 0.004 0.000 1.081 486 V CB 0.029 31.859 31.823 0.011 0.000 0.752 486 V HN 0.644 nan 8.190 nan 0.000 0.472 487 S N -0.710 115.016 115.700 0.042 0.000 2.540 487 S HA 0.163 4.632 4.470 -0.002 0.000 0.218 487 S C 0.694 175.310 174.600 0.026 0.000 0.977 487 S CA -0.005 58.218 58.200 0.038 0.000 0.918 487 S CB -0.135 63.096 63.200 0.051 0.000 0.806 487 S HN 0.455 nan 8.310 nan 0.000 0.496 488 N N 1.379 120.092 118.700 0.022 0.000 2.762 488 N HA 0.290 5.029 4.740 -0.002 0.000 0.252 488 N C -0.718 174.800 175.510 0.013 0.000 1.269 488 N CA -0.197 52.862 53.050 0.016 0.000 0.799 488 N CB 1.294 39.789 38.487 0.014 0.000 1.173 488 N HN -0.040 nan 8.380 nan 0.000 0.516 489 D N 1.201 121.609 120.400 0.014 0.000 2.097 489 D HA -0.107 4.532 4.640 -0.002 0.000 0.195 489 D C 1.254 177.564 176.300 0.016 0.000 0.989 489 D CA 1.230 55.240 54.000 0.016 0.000 0.827 489 D CB 0.138 40.946 40.800 0.014 0.000 0.966 489 D HN 0.589 nan 8.370 nan 0.000 0.456 490 N N 0.276 118.982 118.700 0.011 0.000 2.060 490 N HA -0.198 4.541 4.740 -0.002 0.000 0.195 490 N C 1.713 177.223 175.510 0.001 0.000 1.028 490 N CA 1.090 54.144 53.050 0.007 0.000 0.861 490 N CB 0.021 38.511 38.487 0.005 0.000 1.029 490 N HN 0.103 nan 8.380 nan 0.000 0.428 491 K N 0.520 120.918 120.400 -0.003 0.000 2.155 491 K HA -0.094 4.225 4.320 -0.002 0.000 0.203 491 K C 1.865 178.445 176.600 -0.035 0.000 1.052 491 K CA 0.679 56.955 56.287 -0.017 0.000 0.948 491 K CB 0.031 32.523 32.500 -0.013 0.000 0.728 491 K HN 0.080 nan 8.250 nan 0.000 0.448 492 L N 1.520 122.738 121.223 -0.008 0.000 2.162 492 L HA -0.020 4.319 4.340 -0.002 0.000 0.205 492 L C 1.539 178.444 176.870 0.058 0.000 1.086 492 L CA 1.431 56.280 54.840 0.014 0.000 0.778 492 L CB -0.499 41.597 42.059 0.061 0.000 0.928 492 L HN 0.149 nan 8.230 nan 0.000 0.446 493 N N 0.222 118.957 118.700 0.058 0.000 2.166 493 N HA -0.163 4.576 4.740 -0.002 0.000 0.186 493 N C 1.486 177.016 175.510 0.032 0.000 1.019 493 N CA 1.246 54.340 53.050 0.075 0.000 0.856 493 N CB -0.449 38.064 38.487 0.043 0.000 0.993 493 N HN 0.392 nan 8.380 nan 0.000 0.426 494 N N 1.132 119.823 118.700 -0.015 0.000 2.331 494 N HA -0.102 4.637 4.740 -0.002 0.000 0.180 494 N C 1.501 176.963 175.510 -0.081 0.000 1.019 494 N CA 0.356 53.388 53.050 -0.030 0.000 0.881 494 N CB -0.162 38.310 38.487 -0.025 0.000 0.972 494 N HN 0.470 nan 8.380 nan 0.000 0.435 495 E N -0.314 119.760 120.200 -0.209 0.000 2.118 495 E HA -0.171 4.178 4.350 -0.002 0.000 0.195 495 E C 0.250 176.584 176.600 -0.443 0.000 0.992 495 E CA 1.085 57.240 56.400 -0.407 0.000 0.804 495 E CB 0.068 29.316 29.700 -0.753 0.000 0.741 495 E HN 0.453 nan 8.360 nan 0.000 0.458 496 Y N -0.402 119.880 120.300 -0.029 0.000 2.636 496 Y HA 0.190 4.739 4.550 -0.002 0.000 0.260 496 Y C 1.464 177.273 175.900 -0.152 0.000 1.177 496 Y CA -0.358 57.649 58.100 -0.155 0.000 1.209 496 Y CB 0.058 38.424 38.460 -0.157 0.000 1.166 496 Y HN 0.030 nan 8.280 nan 0.000 0.531 497 L N 0.280 121.516 121.223 0.023 0.000 2.021 497 L HA -0.293 4.046 4.340 -0.002 0.000 0.215 497 L C 1.494 178.357 176.870 -0.011 0.000 1.074 497 L CA 2.054 56.901 54.840 0.012 0.000 0.760 497 L CB -0.018 42.054 42.059 0.022 0.000 0.889 497 L HN 0.385 nan 8.230 nan 0.000 0.433 498 E N -0.587 119.629 120.200 0.026 0.000 2.489 498 E HA 0.066 4.414 4.350 -0.002 0.000 0.193 498 E C 0.211 176.768 176.600 -0.071 0.000 1.057 498 E CA -0.282 56.139 56.400 0.035 0.000 0.866 498 E CB 0.210 30.011 29.700 0.167 0.000 0.916 498 E HN 0.443 nan 8.360 nan 0.000 0.500 499 L N 1.628 122.714 121.223 -0.229 0.000 2.331 499 L HA 0.235 4.574 4.340 -0.002 0.000 0.278 499 L C 0.158 176.763 176.870 -0.442 0.000 1.106 499 L CA -0.033 54.547 54.840 -0.433 0.000 0.824 499 L CB 0.592 42.271 42.059 -0.633 0.000 1.142 499 L HN 0.021 nan 8.230 nan 0.000 0.443 500 N N 2.511 120.948 118.700 -0.438 0.000 2.533 500 N HA 0.285 5.024 4.740 -0.002 0.000 0.289 500 N C -1.652 173.730 175.510 -0.214 0.000 1.103 500 N CA -0.531 52.329 53.050 -0.316 0.000 0.877 500 N CB 1.522 39.934 38.487 -0.125 0.000 1.419 500 N HN 0.294 nan 8.380 nan 0.000 0.517 501 Y N 1.570 121.870 120.300 0.000 0.000 2.334 501 Y HA 0.383 4.932 4.550 -0.002 0.000 0.328 501 Y C 0.412 176.327 175.900 0.025 0.000 1.130 501 Y CA -0.504 57.605 58.100 0.015 0.000 1.163 501 Y CB 1.078 39.550 38.460 0.020 0.000 1.207 501 Y HN 0.136 nan 8.280 nan 0.000 0.471 502 K N 2.055 122.581 120.400 0.210 0.000 2.221 502 K HA 0.327 4.646 4.320 -0.002 0.000 0.258 502 K C 0.018 176.690 176.600 0.120 0.000 0.944 502 K CA -0.737 55.629 56.287 0.132 0.000 0.823 502 K CB 1.965 34.524 32.500 0.098 0.000 1.113 502 K HN 0.687 nan 8.250 nan 0.000 0.431 503 E N 1.323 121.577 120.200 0.091 0.000 2.482 503 E HA -0.122 4.227 4.350 -0.002 0.000 0.196 503 E C 0.300 176.935 176.600 0.058 0.000 1.047 503 E CA 0.724 57.166 56.400 0.070 0.000 0.869 503 E CB 0.153 29.885 29.700 0.053 0.000 0.836 503 E HN 0.574 nan 8.360 nan 0.000 0.520 504 D N 0.242 120.681 120.400 0.064 0.000 2.369 504 D HA 0.000 4.639 4.640 -0.002 0.000 0.211 504 D C 0.361 176.709 176.300 0.079 0.000 1.077 504 D CA 0.154 54.188 54.000 0.057 0.000 0.842 504 D CB 0.381 41.207 40.800 0.045 0.000 0.947 504 D HN -0.115 nan 8.370 nan 0.000 0.509 505 E N 0.207 120.468 120.200 0.102 0.000 4.052 505 E HA 0.108 4.456 4.350 -0.002 0.000 0.219 505 E C 0.138 176.820 176.600 0.137 0.000 1.166 505 E CA -0.689 55.781 56.400 0.116 0.000 1.338 505 E CB -0.345 29.416 29.700 0.101 0.000 1.212 505 E HN 0.256 nan 8.360 nan 0.000 0.432 506 Y N 0.239 120.554 120.300 0.026 0.000 2.128 506 Y HA -0.314 4.235 4.550 -0.002 0.000 0.284 506 Y C 1.626 177.523 175.900 -0.004 0.000 1.154 506 Y CA 1.653 59.737 58.100 -0.027 0.000 1.149 506 Y CB 0.016 38.440 38.460 -0.061 0.000 0.976 506 Y HN 0.365 nan 8.280 nan 0.000 0.505 507 F N 1.191 121.004 119.950 -0.229 0.000 2.134 507 F HA -0.169 4.356 4.527 -0.002 0.000 0.299 507 F C 2.068 177.753 175.800 -0.192 0.000 1.097 507 F CA 2.087 59.905 58.000 -0.303 0.000 1.264 507 F CB -0.235 38.675 39.000 -0.150 0.000 1.001 507 F HN 0.071 nan 8.300 nan 0.000 0.479 508 E N 0.186 120.457 120.200 0.118 0.000 2.110 508 E HA -0.214 4.135 4.350 -0.002 0.000 0.193 508 E C 1.791 178.399 176.600 0.014 0.000 0.988 508 E CA 1.635 58.089 56.400 0.089 0.000 0.804 508 E CB -0.470 29.302 29.700 0.120 0.000 0.745 508 E HN 0.548 nan 8.360 nan 0.000 0.458 509 N N 0.190 118.872 118.700 -0.030 0.000 2.120 509 N HA -0.142 4.597 4.740 -0.002 0.000 0.188 509 N C 2.042 177.507 175.510 -0.075 0.000 1.024 509 N CA 1.374 54.426 53.050 0.003 0.000 0.852 509 N CB -0.297 38.130 38.487 -0.100 0.000 1.003 509 N HN 0.300 nan 8.380 nan 0.000 0.424 510 I N -1.460 118.910 120.570 -0.333 0.000 2.500 510 I HA -0.075 4.093 4.170 -0.002 0.000 0.252 510 I C 1.603 177.636 176.117 -0.139 0.000 1.142 510 I CA 0.801 61.938 61.300 -0.272 0.000 1.451 510 I CB -0.131 37.474 38.000 -0.659 0.000 1.093 510 I HN -0.037 nan 8.210 nan 0.000 0.430 511 I N 1.449 121.906 120.570 -0.188 0.000 2.179 511 I HA -0.241 3.928 4.170 -0.002 0.000 0.242 511 I C 2.742 178.904 176.117 0.076 0.000 1.088 511 I CA 1.526 62.828 61.300 0.004 0.000 1.357 511 I CB -1.577 36.463 38.000 0.067 0.000 1.051 511 I HN 0.491 nan 8.210 nan 0.000 0.409 512 Q N 0.740 120.586 119.800 0.078 0.000 2.077 512 Q HA -0.255 4.083 4.340 -0.002 0.000 0.206 512 Q C 1.999 178.087 176.000 0.147 0.000 0.989 512 Q CA 1.861 57.731 55.803 0.112 0.000 0.853 512 Q CB 0.024 28.844 28.738 0.137 0.000 0.907 512 Q HN 0.482 nan 8.270 nan 0.000 0.418 513 N N 0.222 119.015 118.700 0.156 0.000 2.166 513 N HA -0.133 4.606 4.740 -0.002 0.000 0.186 513 N C 1.833 177.449 175.510 0.176 0.000 1.019 513 N CA 0.963 54.117 53.050 0.173 0.000 0.856 513 N CB -0.294 38.286 38.487 0.155 0.000 0.993 513 N HN 0.261 nan 8.380 nan 0.000 0.426 514 L N 0.986 122.289 121.223 0.133 0.000 2.027 514 L HA -0.128 4.211 4.340 -0.002 0.000 0.206 514 L C 2.231 179.133 176.870 0.053 0.000 1.074 514 L CA 1.209 56.113 54.840 0.107 0.000 0.745 514 L CB -0.349 41.801 42.059 0.151 0.000 0.898 514 L HN 0.102 nan 8.230 nan 0.000 0.433 515 K N -0.364 120.048 120.400 0.019 0.000 2.032 515 K HA -0.231 4.088 4.320 -0.002 0.000 0.209 515 K C 2.090 178.706 176.600 0.026 0.000 1.048 515 K CA 1.857 58.115 56.287 -0.048 0.000 0.927 515 K CB -0.362 32.098 32.500 -0.065 0.000 0.712 515 K HN 0.110 nan 8.250 nan 0.000 0.441 516 F N 1.381 121.312 119.950 -0.033 0.000 2.146 516 F HA -0.203 4.323 4.527 -0.002 0.000 0.298 516 F C 2.562 178.347 175.800 -0.024 0.000 1.096 516 F CA 1.493 59.481 58.000 -0.020 0.000 1.275 516 F CB -0.486 38.521 39.000 0.011 0.000 1.008 516 F HN -0.079 nan 8.300 nan 0.000 0.480 517 S N -0.289 115.529 115.700 0.196 0.000 2.359 517 S HA -0.223 4.246 4.470 -0.002 0.000 0.224 517 S C 2.086 176.633 174.600 -0.088 0.000 1.035 517 S CA 1.504 59.743 58.200 0.064 0.000 1.018 517 S CB -0.389 62.874 63.200 0.104 0.000 0.876 517 S HN 0.493 nan 8.310 nan 0.000 0.448 518 Q N 0.717 120.472 119.800 -0.075 0.000 2.119 518 Q HA -0.026 4.313 4.340 -0.002 0.000 0.201 518 Q C 2.546 178.460 176.000 -0.143 0.000 0.972 518 Q CA 1.460 57.203 55.803 -0.099 0.000 0.847 518 Q CB -1.001 27.684 28.738 -0.088 0.000 0.903 518 Q HN 0.638 nan 8.270 nan 0.000 0.433 519 S N 0.616 116.209 115.700 -0.178 0.000 2.356 519 S HA -0.176 4.293 4.470 -0.002 0.000 0.223 519 S C 1.945 176.398 174.600 -0.244 0.000 1.032 519 S CA 1.503 59.584 58.200 -0.199 0.000 1.005 519 S CB -0.027 63.052 63.200 -0.202 0.000 0.867 519 S HN 0.273 nan 8.310 nan 0.000 0.449 520 K N 0.029 120.208 120.400 -0.369 0.000 2.044 520 K HA -0.210 4.109 4.320 -0.002 0.000 0.210 520 K C 2.534 179.003 176.600 -0.218 0.000 1.049 520 K CA 1.907 57.985 56.287 -0.348 0.000 0.927 520 K CB -0.321 31.896 32.500 -0.472 0.000 0.713 520 K HN 0.322 nan 8.250 nan 0.000 0.443 521 Q N 0.840 120.526 119.800 -0.191 0.000 2.050 521 Q HA -0.090 4.249 4.340 -0.002 0.000 0.202 521 Q C 1.954 177.861 176.000 -0.154 0.000 0.980 521 Q CA 1.553 57.257 55.803 -0.165 0.000 0.840 521 Q CB -0.211 28.449 28.738 -0.131 0.000 0.898 521 Q HN 0.359 nan 8.270 nan 0.000 0.424 522 L N 0.741 121.886 121.223 -0.131 0.000 2.046 522 L HA -0.170 4.169 4.340 -0.002 0.000 0.208 522 L C 2.261 179.075 176.870 -0.093 0.000 1.077 522 L CA 1.738 56.513 54.840 -0.108 0.000 0.747 522 L CB -0.622 41.375 42.059 -0.103 0.000 0.896 522 L HN 0.301 nan 8.230 nan 0.000 0.432 523 K N 0.426 120.765 120.400 -0.100 0.000 2.555 523 K HA -0.118 4.200 4.320 -0.002 0.000 0.193 523 K C 1.312 177.889 176.600 -0.038 0.000 1.032 523 K CA 0.832 57.075 56.287 -0.073 0.000 1.004 523 K CB -0.009 32.438 32.500 -0.089 0.000 0.804 523 K HN 0.295 nan 8.250 nan 0.000 0.496 524 K N 0.667 121.041 120.400 -0.044 0.000 2.459 524 K HA -0.025 4.294 4.320 -0.002 0.000 0.193 524 K C 1.708 178.446 176.600 0.229 0.000 1.030 524 K CA 0.057 56.377 56.287 0.055 0.000 1.026 524 K CB -0.034 32.355 32.500 -0.185 0.000 0.809 524 K HN 0.097 nan 8.250 nan 0.000 0.504 525 L N 1.502 122.772 121.223 0.078 0.000 2.013 525 L HA -0.187 4.152 4.340 -0.002 0.000 0.212 525 L C 1.718 178.643 176.870 0.091 0.000 1.073 525 L CA 1.899 56.789 54.840 0.084 0.000 0.753 525 L CB -0.097 41.968 42.059 0.010 0.000 0.890 525 L HN 0.037 nan 8.230 nan 0.000 0.432 526 R N -0.331 120.199 120.500 0.050 0.000 2.334 526 R HA 0.219 4.558 4.340 -0.002 0.000 0.212 526 R C 0.206 176.504 176.300 -0.004 0.000 0.897 526 R CA -0.068 56.040 56.100 0.013 0.000 1.056 526 R CB -0.239 30.060 30.300 -0.001 0.000 1.046 526 R HN 0.377 nan 8.270 nan 0.000 0.513 527 E N 1.359 121.575 120.200 0.026 0.000 2.349 527 E HA 0.181 4.530 4.350 -0.002 0.000 0.262 527 E C -0.087 176.424 176.600 -0.149 0.000 1.088 527 E CA -0.243 56.149 56.400 -0.012 0.000 0.899 527 E CB 1.324 31.052 29.700 0.048 0.000 1.044 527 E HN -0.149 nan 8.360 nan 0.000 0.420 528 K N 0.412 120.726 120.400 -0.142 0.000 2.154 528 K HA 0.249 4.568 4.320 -0.002 0.000 0.264 528 K C -0.428 176.035 176.600 -0.229 0.000 1.008 528 K CA -0.598 55.561 56.287 -0.214 0.000 0.937 528 K CB 1.065 33.498 32.500 -0.111 0.000 1.002 528 K HN 0.174 nan 8.250 nan 0.000 0.469 529 V N 2.797 122.547 119.914 -0.274 0.000 2.572 529 V HA -0.072 4.047 4.120 -0.002 0.000 0.291 529 V C 0.245 176.325 176.094 -0.023 0.000 1.039 529 V CA -0.014 62.233 62.300 -0.089 0.000 1.055 529 V CB 0.900 32.697 31.823 -0.043 0.000 0.969 529 V HN 0.700 nan 8.190 nan 0.000 0.482 530 D N 4.324 124.738 120.400 0.023 0.000 2.352 530 D HA 0.130 4.769 4.640 -0.002 0.000 0.245 530 D C 1.148 177.449 176.300 0.002 0.000 1.224 530 D CA -0.196 53.811 54.000 0.012 0.000 0.879 530 D CB 1.026 41.841 40.800 0.025 0.000 1.057 530 D HN 0.555 nan 8.370 nan 0.000 0.491 531 K N 2.362 122.756 120.400 -0.010 0.000 2.113 531 K HA -0.174 4.145 4.320 -0.002 0.000 0.208 531 K C 0.830 177.420 176.600 -0.017 0.000 1.047 531 K CA 1.191 57.465 56.287 -0.022 0.000 0.928 531 K CB 0.170 32.657 32.500 -0.022 0.000 0.716 531 K HN 0.281 nan 8.250 nan 0.000 0.446 532 D N 0.694 121.103 120.400 0.015 0.000 2.347 532 D HA -0.030 4.609 4.640 -0.002 0.000 0.213 532 D C 0.142 176.507 176.300 0.109 0.000 0.985 532 D CA 0.308 54.340 54.000 0.053 0.000 0.879 532 D CB 0.156 40.996 40.800 0.068 0.000 0.919 532 D HN 0.230 nan 8.370 nan 0.000 0.526 533 E N 0.109 120.354 120.200 0.076 0.000 2.360 533 E HA 0.015 4.363 4.350 -0.002 0.000 0.269 533 E C -0.595 176.090 176.600 0.141 0.000 1.022 533 E CA -0.532 55.942 56.400 0.123 0.000 0.887 533 E CB 0.508 30.244 29.700 0.059 0.000 0.990 533 E HN -0.003 nan 8.360 nan 0.000 0.426 534 W N 4.421 125.693 121.300 -0.046 0.000 2.218 534 W HA 0.179 4.837 4.660 -0.002 0.000 0.326 534 W C 1.073 177.534 176.519 -0.097 0.000 1.276 534 W CA -0.423 56.886 57.345 -0.060 0.000 1.210 534 W CB 0.499 29.939 29.460 -0.034 0.000 1.143 534 W HN 0.544 nan 8.180 nan 0.000 0.563 535 I N 0.176 120.734 120.570 -0.021 0.000 3.793 535 I HA 0.248 4.417 4.170 -0.002 0.000 0.315 535 I C 0.512 176.503 176.117 -0.210 0.000 1.275 535 I CA 0.150 61.363 61.300 -0.145 0.000 1.214 535 I CB -0.034 37.810 38.000 -0.259 0.000 1.018 535 I HN 0.148 nan 8.210 nan 0.000 0.439 536 S N 0.303 115.992 115.700 -0.017 0.000 2.541 536 S HA 0.723 5.192 4.470 -0.002 0.000 0.271 536 S C 0.052 174.755 174.600 0.173 0.000 1.133 536 S CA -0.331 57.862 58.200 -0.011 0.000 0.876 536 S CB 1.378 64.575 63.200 -0.004 0.000 1.105 536 S HN 0.391 nan 8.310 nan 0.000 0.470 537 G N 1.201 110.047 108.800 0.076 0.000 2.636 537 G HA2 0.489 4.448 3.960 -0.002 0.000 0.246 537 G HA3 0.489 4.448 3.960 -0.002 0.000 0.246 537 G C 1.050 175.989 174.900 0.066 0.000 1.216 537 G CA 0.028 45.156 45.100 0.046 0.000 0.854 537 G HN 1.130 nan 8.290 nan 0.000 0.572 538 A N 0.500 123.318 122.820 -0.005 0.000 2.072 538 A HA 0.451 4.770 4.320 -0.002 0.000 0.216 538 A C 1.949 179.487 177.584 -0.076 0.000 1.156 538 A CA 1.395 53.434 52.037 0.003 0.000 0.701 538 A CB -0.098 18.889 19.000 -0.021 0.000 0.816 538 A HN 1.393 nan 8.150 nan 0.000 0.458 539 A N 0.534 123.236 122.820 -0.197 0.000 3.091 539 A HA 0.537 4.856 4.320 -0.002 0.000 0.264 539 A C -0.493 176.876 177.584 -0.358 0.000 1.673 539 A CA -0.073 51.623 52.037 -0.568 0.000 1.362 539 A CB -0.704 17.966 19.000 -0.550 0.000 1.137 539 A HN 0.344 nan 8.150 nan 0.000 0.617 540 V N 1.275 121.053 119.914 -0.227 0.000 2.655 540 V HA 0.134 4.253 4.120 -0.002 0.000 0.301 540 V C -0.306 175.731 176.094 -0.096 0.000 1.082 540 V CA -0.552 61.695 62.300 -0.088 0.000 0.899 540 V CB 2.124 33.995 31.823 0.079 0.000 1.014 540 V HN 0.229 nan 8.190 nan 0.000 0.429 541 V N 5.287 125.112 119.914 -0.148 0.000 2.223 541 V HA 0.487 4.606 4.120 -0.002 0.000 0.249 541 V C 0.212 176.216 176.094 -0.150 0.000 1.233 541 V CA 0.322 62.488 62.300 -0.223 0.000 1.131 541 V CB -0.524 31.050 31.823 -0.414 0.000 1.298 541 V HN 0.903 nan 8.190 nan 0.000 0.498 542 N N 1.784 120.414 118.700 -0.118 0.000 3.465 542 N HA 0.742 5.481 4.740 -0.002 0.000 0.244 542 N C -1.332 173.944 175.510 -0.390 0.000 1.454 542 N CA 0.197 53.130 53.050 -0.195 0.000 0.865 542 N CB 2.012 40.355 38.487 -0.240 0.000 1.439 542 N HN 0.520 nan 8.380 nan 0.000 0.480 543 A N -0.005 122.394 122.820 -0.701 0.000 2.593 543 A HA 0.871 5.190 4.320 -0.002 0.000 0.290 543 A C -1.966 175.042 177.584 -0.960 0.000 1.126 543 A CA -0.362 51.275 52.037 -0.667 0.000 0.695 543 A CB 1.039 19.851 19.000 -0.314 0.000 1.290 543 A HN 0.331 nan 8.150 nan 0.000 0.414 544 F N -0.885 118.955 119.950 -0.184 0.000 2.619 544 F HA 0.560 5.086 4.527 -0.002 0.000 0.308 544 F C -0.924 174.835 175.800 -0.068 0.000 1.097 544 F CA -0.376 57.578 58.000 -0.076 0.000 0.953 544 F CB 1.987 40.916 39.000 -0.117 0.000 1.287 544 F HN 0.648 nan 8.300 nan 0.000 0.446 545 Y N 1.117 121.485 120.300 0.113 0.000 2.376 545 Y HA 0.635 5.184 4.550 -0.002 0.000 0.340 545 Y C -0.707 175.156 175.900 -0.061 0.000 0.965 545 Y CA -0.811 57.289 58.100 0.000 0.000 1.078 545 Y CB 1.965 40.459 38.460 0.056 0.000 1.193 545 Y HN 0.514 nan 8.280 nan 0.000 0.452 546 S N 3.469 118.630 115.700 -0.897 0.000 2.438 546 S HA 0.259 4.727 4.470 -0.002 0.000 0.316 546 S C 0.694 174.581 174.600 -1.188 0.000 1.084 546 S CA -0.035 57.693 58.200 -0.787 0.000 1.107 546 S CB 0.434 63.340 63.200 -0.491 0.000 0.981 546 S HN 0.878 nan 8.310 nan 0.000 0.466 547 S N 4.204 119.401 115.700 -0.837 0.000 2.382 547 S HA -0.034 4.435 4.470 -0.002 0.000 0.228 547 S C 1.998 176.257 174.600 -0.568 0.000 1.027 547 S CA 1.046 58.862 58.200 -0.639 0.000 0.991 547 S CB -0.962 61.716 63.200 -0.871 0.000 0.823 547 S HN 0.830 nan 8.310 nan 0.000 0.469 548 G N 1.597 110.098 108.800 -0.499 0.000 2.422 548 G HA2 -0.081 3.878 3.960 -0.002 0.000 0.218 548 G HA3 -0.081 3.878 3.960 -0.002 0.000 0.218 548 G C 1.647 176.438 174.900 -0.183 0.000 1.140 548 G CA 0.239 45.185 45.100 -0.256 0.000 0.775 548 G HN 0.551 nan 8.290 nan 0.000 0.545 549 R N -0.550 119.793 120.500 -0.263 0.000 2.362 549 R HA 0.201 4.540 4.340 -0.002 0.000 0.227 549 R C 0.649 176.816 176.300 -0.222 0.000 0.905 549 R CA 0.011 55.985 56.100 -0.210 0.000 1.067 549 R CB -0.041 30.125 30.300 -0.222 0.000 1.078 549 R HN 0.376 nan 8.270 nan 0.000 0.516 550 N N 2.096 120.618 118.700 -0.296 0.000 2.686 550 N HA -0.250 4.489 4.740 -0.002 0.000 0.261 550 N C -1.006 174.377 175.510 -0.211 0.000 1.001 550 N CA 0.314 53.225 53.050 -0.231 0.000 0.764 550 N CB -0.221 38.223 38.487 -0.071 0.000 0.898 550 N HN 0.355 nan 8.380 nan 0.000 0.544 551 Q N 1.792 121.353 119.800 -0.400 0.000 2.323 551 Q HA 0.567 4.905 4.340 -0.002 0.000 0.271 551 Q C -0.532 175.335 176.000 -0.222 0.000 1.048 551 Q CA -0.927 54.713 55.803 -0.271 0.000 0.792 551 Q CB 1.375 29.925 28.738 -0.312 0.000 1.280 551 Q HN 0.449 nan 8.270 nan 0.000 0.441 552 I N 0.423 120.935 120.570 -0.097 0.000 2.460 552 I HA 0.786 4.955 4.170 -0.002 0.000 0.298 552 I C -0.980 174.922 176.117 -0.358 0.000 0.989 552 I CA -1.108 60.109 61.300 -0.138 0.000 1.173 552 I CB 1.819 39.851 38.000 0.053 0.000 1.338 552 I HN 0.262 nan 8.210 nan 0.000 0.456 553 V N 5.599 125.115 119.914 -0.663 0.000 2.623 553 V HA 0.444 4.563 4.120 -0.002 0.000 0.304 553 V C -1.071 174.560 176.094 -0.771 0.000 1.054 553 V CA -0.327 61.641 62.300 -0.554 0.000 0.882 553 V CB 1.514 33.170 31.823 -0.279 0.000 1.002 553 V HN 0.620 nan 8.190 nan 0.000 0.424 554 F N 4.848 124.802 119.950 0.007 0.000 2.564 554 F HA 0.494 5.020 4.527 -0.002 0.000 0.368 554 F C -2.447 173.405 175.800 0.087 0.000 1.127 554 F CA -2.408 55.602 58.000 0.016 0.000 1.170 554 F CB 1.381 40.359 39.000 -0.037 0.000 1.397 554 F HN 0.290 nan 8.300 nan 0.000 0.493 555 P HA -0.040 nan 4.420 nan 0.000 0.265 555 P C 0.830 178.160 177.300 0.051 0.000 1.187 555 P CA 0.392 63.618 63.100 0.210 0.000 0.766 555 P CB 0.966 32.775 31.700 0.181 0.000 0.820 556 A N 4.114 126.861 122.820 -0.120 0.000 1.971 556 A HA -0.232 4.087 4.320 -0.002 0.000 0.222 556 A C 2.371 179.950 177.584 -0.009 0.000 1.182 556 A CA 2.477 54.258 52.037 -0.427 0.000 0.649 556 A CB -1.908 16.634 19.000 -0.762 0.000 0.818 556 A HN 0.662 nan 8.150 nan 0.000 0.458 557 G N -0.892 107.939 108.800 0.051 0.000 2.462 557 G HA2 -0.155 3.804 3.960 -0.002 0.000 0.220 557 G HA3 -0.155 3.804 3.960 -0.002 0.000 0.220 557 G C 1.414 176.332 174.900 0.031 0.000 1.121 557 G CA 1.083 46.210 45.100 0.046 0.000 0.758 557 G HN 0.595 nan 8.290 nan 0.000 0.559 558 I N 0.120 120.684 120.570 -0.011 0.000 3.860 558 I HA 0.313 4.482 4.170 -0.002 0.000 0.319 558 I C 0.468 176.600 176.117 0.025 0.000 1.279 558 I CA -0.107 61.126 61.300 -0.112 0.000 1.220 558 I CB 0.265 38.096 38.000 -0.282 0.000 1.027 558 I HN -0.060 nan 8.210 nan 0.000 0.428 559 L N 3.270 124.594 121.223 0.169 0.000 2.648 559 L HA 0.257 4.595 4.340 -0.002 0.000 0.238 559 L C -0.345 176.806 176.870 0.470 0.000 1.316 559 L CA -0.032 55.011 54.840 0.338 0.000 1.241 559 L CB -0.583 41.697 42.059 0.369 0.000 1.499 559 L HN 0.347 nan 8.230 nan 0.000 0.411 560 Q N -0.224 119.808 119.800 0.388 0.000 2.630 560 Q HA 0.580 4.918 4.340 -0.002 0.000 0.295 560 Q C -2.989 173.155 176.000 0.241 0.000 0.944 560 Q CA -2.313 53.656 55.803 0.276 0.000 0.766 560 Q CB 1.458 30.328 28.738 0.219 0.000 1.471 560 Q HN -0.140 nan 8.270 nan 0.000 0.416 561 P HA 0.026 nan 4.420 nan 0.000 0.266 561 P C -1.965 175.325 177.300 -0.017 0.000 1.195 561 P CA -0.697 62.413 63.100 0.016 0.000 0.768 561 P CB 0.171 31.855 31.700 -0.026 0.000 0.838 562 P HA 0.044 nan 4.420 nan 0.000 0.255 562 P C 0.807 177.967 177.300 -0.233 0.000 1.248 562 P CA 0.552 63.506 63.100 -0.244 0.000 0.807 562 P CB -0.013 31.472 31.700 -0.359 0.000 1.150 563 F N -0.046 119.906 119.950 0.003 0.000 2.098 563 F HA 0.103 4.628 4.527 -0.002 0.000 0.294 563 F C 1.270 177.148 175.800 0.130 0.000 1.107 563 F CA 1.269 59.297 58.000 0.045 0.000 1.234 563 F CB -0.407 38.635 39.000 0.070 0.000 1.002 563 F HN -0.151 nan 8.300 nan 0.000 0.472 564 F N -0.235 119.819 119.950 0.173 0.000 2.588 564 F HA 0.531 5.057 4.527 -0.002 0.000 0.314 564 F C -0.651 175.189 175.800 0.066 0.000 1.134 564 F CA -1.226 56.824 58.000 0.084 0.000 0.961 564 F CB 1.551 40.600 39.000 0.081 0.000 1.239 564 F HN -0.257 nan 8.300 nan 0.000 0.448 565 S N 4.004 119.171 115.700 -0.888 0.000 2.536 565 S HA 0.676 5.145 4.470 -0.002 0.000 0.271 565 S C 0.295 174.273 174.600 -1.037 0.000 1.134 565 S CA -0.054 57.520 58.200 -1.043 0.000 0.897 565 S CB 1.521 64.484 63.200 -0.394 0.000 1.094 565 S HN 1.325 nan 8.310 nan 0.000 0.473 566 A N 2.606 124.919 122.820 -0.845 0.000 2.131 566 A HA -0.027 4.292 4.320 -0.002 0.000 0.220 566 A C 1.637 179.112 177.584 -0.182 0.000 1.158 566 A CA 1.610 53.454 52.037 -0.323 0.000 0.665 566 A CB -0.515 18.425 19.000 -0.099 0.000 0.795 566 A HN 0.771 nan 8.150 nan 0.000 0.460 567 Q N -0.728 118.953 119.800 -0.199 0.000 2.319 567 Q HA 0.103 4.442 4.340 -0.002 0.000 0.209 567 Q C 0.894 176.846 176.000 -0.081 0.000 0.884 567 Q CA 0.388 56.130 55.803 -0.103 0.000 0.938 567 Q CB 0.328 29.016 28.738 -0.084 0.000 1.098 567 Q HN 0.921 nan 8.270 nan 0.000 0.517 568 Q N -0.712 119.016 119.800 -0.119 0.000 2.212 568 Q HA 0.487 4.825 4.340 -0.002 0.000 0.238 568 Q C -0.504 175.485 176.000 -0.019 0.000 0.955 568 Q CA -0.614 55.152 55.803 -0.062 0.000 0.906 568 Q CB 1.016 29.706 28.738 -0.080 0.000 1.215 568 Q HN -0.105 nan 8.270 nan 0.000 0.478 569 S N 1.690 117.415 115.700 0.041 0.000 2.566 569 S HA -0.018 4.451 4.470 -0.002 0.000 0.280 569 S C 0.726 175.349 174.600 0.038 0.000 1.343 569 S CA -0.438 57.809 58.200 0.079 0.000 1.036 569 S CB 0.294 63.627 63.200 0.221 0.000 0.866 569 S HN 0.654 nan 8.310 nan 0.000 0.526 570 N N 1.661 120.379 118.700 0.030 0.000 2.331 570 N HA -0.095 4.644 4.740 -0.002 0.000 0.180 570 N C 2.106 177.570 175.510 -0.076 0.000 1.019 570 N CA 1.117 54.194 53.050 0.044 0.000 0.881 570 N CB -0.462 38.020 38.487 -0.009 0.000 0.972 570 N HN 0.750 nan 8.380 nan 0.000 0.435 571 S N 1.194 116.732 115.700 -0.270 0.000 2.374 571 S HA -0.111 4.358 4.470 -0.002 0.000 0.227 571 S C 2.103 176.648 174.600 -0.092 0.000 1.037 571 S CA 0.869 58.785 58.200 -0.474 0.000 1.024 571 S CB -0.730 62.533 63.200 0.104 0.000 0.861 571 S HN 0.249 nan 8.310 nan 0.000 0.456 572 L N 1.426 122.652 121.223 0.005 0.000 2.072 572 L HA -0.041 4.297 4.340 -0.002 0.000 0.205 572 L C 2.740 179.604 176.870 -0.010 0.000 1.079 572 L CA 1.159 55.994 54.840 -0.007 0.000 0.752 572 L CB -0.877 41.188 42.059 0.010 0.000 0.906 572 L HN 0.286 nan 8.230 nan 0.000 0.436 573 N N -0.239 118.479 118.700 0.030 0.000 2.120 573 N HA -0.203 4.536 4.740 -0.002 0.000 0.188 573 N C 1.865 177.383 175.510 0.014 0.000 1.024 573 N CA 1.621 54.705 53.050 0.057 0.000 0.852 573 N CB -0.355 38.168 38.487 0.059 0.000 1.003 573 N HN 0.352 nan 8.380 nan 0.000 0.424 574 Y N 0.547 120.831 120.300 -0.026 0.000 2.220 574 Y HA 0.029 4.578 4.550 -0.002 0.000 0.291 574 Y C 2.585 178.492 175.900 0.012 0.000 1.129 574 Y CA 1.141 59.289 58.100 0.080 0.000 1.161 574 Y CB -0.600 37.962 38.460 0.169 0.000 0.997 574 Y HN 0.083 nan 8.280 nan 0.000 0.522 575 G N -0.586 108.079 108.800 -0.227 0.000 2.471 575 G HA2 -0.089 3.870 3.960 -0.002 0.000 0.219 575 G HA3 -0.089 3.870 3.960 -0.002 0.000 0.219 575 G C 1.627 176.403 174.900 -0.207 0.000 1.125 575 G CA 0.917 45.509 45.100 -0.846 0.000 0.775 575 G HN 0.506 nan 8.290 nan 0.000 0.548 576 G N 0.699 109.464 108.800 -0.057 0.000 2.568 576 G HA2 0.158 4.117 3.960 -0.002 0.000 0.212 576 G HA3 0.158 4.117 3.960 -0.002 0.000 0.212 576 G C 1.396 176.448 174.900 0.254 0.000 1.821 576 G CA 0.441 45.578 45.100 0.061 0.000 0.904 576 G HN 0.152 nan 8.290 nan 0.000 0.566 577 I N 1.882 122.604 120.570 0.254 0.000 2.394 577 I HA 0.066 4.235 4.170 -0.002 0.000 0.251 577 I C 2.722 178.857 176.117 0.030 0.000 1.136 577 I CA 1.419 62.814 61.300 0.158 0.000 1.425 577 I CB -0.513 37.527 38.000 0.068 0.000 1.079 577 I HN 0.232 nan 8.210 nan 0.000 0.425 578 G N 0.373 109.173 108.800 0.001 0.000 2.476 578 G HA2 -0.323 3.636 3.960 -0.002 0.000 0.218 578 G HA3 -0.323 3.636 3.960 -0.002 0.000 0.218 578 G C 1.677 176.662 174.900 0.142 0.000 1.164 578 G CA 1.028 46.135 45.100 0.011 0.000 0.768 578 G HN 0.390 nan 8.290 nan 0.000 0.560 579 M N 0.790 120.504 119.600 0.190 0.000 2.229 579 M HA 0.003 4.481 4.480 -0.002 0.000 0.264 579 M C 2.456 178.918 176.300 0.270 0.000 1.063 579 M CA 1.051 56.497 55.300 0.244 0.000 1.114 579 M CB -0.345 32.405 32.600 0.250 0.000 1.387 579 M HN 0.134 nan 8.290 nan 0.000 0.420 580 V N 0.898 120.954 119.914 0.237 0.000 2.358 580 V HA -0.271 3.848 4.120 -0.002 0.000 0.246 580 V C 2.408 178.700 176.094 0.329 0.000 1.047 580 V CA 1.576 64.017 62.300 0.234 0.000 1.035 580 V CB -0.627 31.281 31.823 0.142 0.000 0.658 580 V HN 0.413 nan 8.190 nan 0.000 0.452 581 I N 1.012 121.726 120.570 0.241 0.000 2.208 581 I HA -0.209 3.959 4.170 -0.002 0.000 0.245 581 I C 2.577 178.852 176.117 0.263 0.000 1.097 581 I CA 1.920 63.375 61.300 0.258 0.000 1.363 581 I CB -0.893 37.059 38.000 -0.081 0.000 1.051 581 I HN 0.385 nan 8.210 nan 0.000 0.413 582 G N -0.745 108.187 108.800 0.220 0.000 2.422 582 G HA2 -0.328 3.631 3.960 -0.002 0.000 0.218 582 G HA3 -0.328 3.631 3.960 -0.002 0.000 0.218 582 G C 1.494 176.509 174.900 0.192 0.000 1.146 582 G CA 1.234 46.460 45.100 0.210 0.000 0.769 582 G HN 0.476 nan 8.290 nan 0.000 0.547 583 H N 0.607 119.752 119.070 0.124 0.000 2.319 583 H HA -0.057 4.498 4.556 -0.002 0.000 0.299 583 H C 2.515 177.791 175.328 -0.087 0.000 1.092 583 H CA 1.955 58.020 56.048 0.028 0.000 1.302 583 H CB 0.199 30.010 29.762 0.082 0.000 1.373 583 H HN 0.226 nan 8.280 nan 0.000 0.497 584 E N 0.534 120.865 120.200 0.219 0.000 2.077 584 E HA -0.141 4.207 4.350 -0.002 0.000 0.193 584 E C 2.572 179.166 176.600 -0.009 0.000 0.989 584 E CA 1.110 57.613 56.400 0.172 0.000 0.800 584 E CB -0.338 29.474 29.700 0.187 0.000 0.746 584 E HN 0.611 nan 8.360 nan 0.000 0.452 585 I N 1.146 121.720 120.570 0.007 0.000 2.179 585 I HA -0.240 3.928 4.170 -0.002 0.000 0.242 585 I C 2.166 178.129 176.117 -0.258 0.000 1.088 585 I CA 1.410 62.633 61.300 -0.128 0.000 1.357 585 I CB -0.322 37.624 38.000 -0.089 0.000 1.051 585 I HN 0.054 nan 8.210 nan 0.000 0.409 586 T N -1.033 113.425 114.554 -0.160 0.000 2.929 586 T HA -0.183 4.166 4.350 -0.002 0.000 0.271 586 T C 1.765 176.382 174.700 -0.138 0.000 1.085 586 T CA 0.972 63.015 62.100 -0.094 0.000 1.125 586 T CB -0.386 68.483 68.868 0.001 0.000 0.874 586 T HN 0.300 nan 8.240 nan 0.000 0.494 587 H N 0.818 119.686 119.070 -0.337 0.000 2.489 587 H HA 0.033 4.588 4.556 -0.002 0.000 0.295 587 H C 2.454 177.355 175.328 -0.713 0.000 1.082 587 H CA 0.939 56.741 56.048 -0.409 0.000 1.295 587 H CB -0.678 28.882 29.762 -0.337 0.000 1.380 587 H HN 0.452 nan 8.280 nan 0.000 0.548 588 G N -1.388 106.772 108.800 -1.065 0.000 2.559 588 G HA2 -0.128 3.830 3.960 -0.002 0.000 0.216 588 G HA3 -0.128 3.830 3.960 -0.002 0.000 0.216 588 G C 0.392 174.758 174.900 -0.890 0.000 1.126 588 G CA 0.243 44.612 45.100 -1.218 0.000 0.778 588 G HN 0.291 nan 8.290 nan 0.000 0.543 589 F N 0.441 120.379 119.950 -0.019 0.000 2.837 589 F HA 0.241 4.767 4.527 -0.002 0.000 0.328 589 F C 0.285 176.451 175.800 0.609 0.000 1.173 589 F CA -1.297 56.881 58.000 0.297 0.000 1.160 589 F CB 0.317 39.222 39.000 -0.159 0.000 1.115 589 F HN 0.046 nan 8.300 nan 0.000 0.512 590 D N -0.860 119.835 120.400 0.491 0.000 2.539 590 D HA 0.058 4.697 4.640 -0.002 0.000 0.280 590 D C 1.162 177.679 176.300 0.361 0.000 1.208 590 D CA -0.200 54.144 54.000 0.573 0.000 1.088 590 D CB 0.210 41.255 40.800 0.408 0.000 1.149 590 D HN 0.033 nan 8.370 nan 0.000 0.596 591 D N -1.452 119.169 120.400 0.368 0.000 2.312 591 D HA -0.183 4.456 4.640 -0.002 0.000 0.211 591 D C 1.000 177.325 176.300 0.042 0.000 0.964 591 D CA 0.560 54.671 54.000 0.185 0.000 0.877 591 D CB -0.333 40.608 40.800 0.235 0.000 0.924 591 D HN 0.454 nan 8.370 nan 0.000 0.515 592 N N 1.050 119.811 118.700 0.101 0.000 2.319 592 N HA -0.068 4.671 4.740 -0.002 0.000 0.189 592 N C 2.138 177.788 175.510 0.234 0.000 1.042 592 N CA 1.308 54.438 53.050 0.134 0.000 0.879 592 N CB -0.362 38.192 38.487 0.111 0.000 1.052 592 N HN 0.198 nan 8.380 nan 0.000 0.446 593 G N 1.861 110.791 108.800 0.216 0.000 2.422 593 G HA2 -0.281 3.678 3.960 -0.002 0.000 0.218 593 G HA3 -0.281 3.678 3.960 -0.002 0.000 0.218 593 G C 1.655 176.743 174.900 0.314 0.000 1.146 593 G CA 0.955 46.221 45.100 0.276 0.000 0.769 593 G HN 0.616 nan 8.290 nan 0.000 0.547 594 R N 0.352 120.981 120.500 0.215 0.000 2.261 594 R HA -0.049 4.290 4.340 -0.002 0.000 0.236 594 R C 1.581 177.967 176.300 0.144 0.000 1.141 594 R CA 1.567 57.834 56.100 0.278 0.000 1.001 594 R CB -0.500 29.712 30.300 -0.147 0.000 0.866 594 R HN 0.253 nan 8.270 nan 0.000 0.468 595 N N -0.335 118.403 118.700 0.063 0.000 2.463 595 N HA 0.028 4.766 4.740 -0.002 0.000 0.181 595 N C -0.582 174.868 175.510 -0.101 0.000 1.078 595 N CA 0.529 53.499 53.050 -0.133 0.000 0.902 595 N CB 0.189 38.516 38.487 -0.267 0.000 0.970 595 N HN 0.114 nan 8.380 nan 0.000 0.451 596 F N 1.123 121.220 119.950 0.246 0.000 2.450 596 F HA 0.271 4.796 4.527 -0.002 0.000 0.332 596 F C 1.010 177.051 175.800 0.401 0.000 1.093 596 F CA -1.165 56.983 58.000 0.247 0.000 1.003 596 F CB 1.114 40.199 39.000 0.141 0.000 1.151 596 F HN -0.063 nan 8.300 nan 0.000 0.474 597 N N 1.456 120.405 118.700 0.414 0.000 2.566 597 N HA 0.242 4.981 4.740 -0.002 0.000 0.299 597 N C 0.670 176.203 175.510 0.038 0.000 1.277 597 N CA -0.792 52.363 53.050 0.174 0.000 0.965 597 N CB 0.871 39.436 38.487 0.130 0.000 1.142 597 N HN 0.687 nan 8.380 nan 0.000 0.596 598 K N -1.021 119.324 120.400 -0.092 0.000 2.362 598 K HA -0.087 4.232 4.320 -0.002 0.000 0.200 598 K C -0.183 176.396 176.600 -0.036 0.000 1.046 598 K CA 1.329 57.562 56.287 -0.090 0.000 0.952 598 K CB -0.038 32.388 32.500 -0.124 0.000 0.753 598 K HN 0.475 nan 8.250 nan 0.000 0.466 599 D N 0.346 120.743 120.400 -0.005 0.000 2.369 599 D HA 0.087 4.726 4.640 -0.002 0.000 0.211 599 D C 0.789 177.103 176.300 0.023 0.000 1.077 599 D CA 0.799 54.800 54.000 0.001 0.000 0.842 599 D CB 0.912 41.714 40.800 0.004 0.000 0.947 599 D HN 0.493 nan 8.370 nan 0.000 0.509 600 G N 1.485 110.326 108.800 0.069 0.000 2.132 600 G HA2 -0.194 3.765 3.960 -0.002 0.000 0.228 600 G HA3 -0.194 3.765 3.960 -0.002 0.000 0.228 600 G C -0.442 174.614 174.900 0.260 0.000 1.000 600 G CA -0.356 44.809 45.100 0.109 0.000 0.693 600 G HN 0.161 nan 8.290 nan 0.000 0.515 601 D N -0.098 120.442 120.400 0.234 0.000 2.177 601 D HA 0.413 5.052 4.640 -0.002 0.000 0.247 601 D C 0.428 176.791 176.300 0.106 0.000 1.063 601 D CA -0.612 53.495 54.000 0.178 0.000 0.867 601 D CB 1.801 42.645 40.800 0.073 0.000 1.168 601 D HN 0.135 nan 8.370 nan 0.000 0.445 602 L N 3.394 124.545 121.223 -0.121 0.000 2.536 602 L HA 0.202 4.541 4.340 -0.002 0.000 0.282 602 L C -0.874 175.825 176.870 -0.286 0.000 1.147 602 L CA 0.348 54.866 54.840 -0.538 0.000 0.936 602 L CB -0.144 41.519 42.059 -0.660 0.000 1.279 602 L HN 0.092 nan 8.230 nan 0.000 0.461 603 V N 4.657 124.480 119.914 -0.150 0.000 2.817 603 V HA 0.275 4.394 4.120 -0.002 0.000 0.303 603 V C -0.997 175.142 176.094 0.074 0.000 1.151 603 V CA -0.933 61.355 62.300 -0.020 0.000 0.929 603 V CB 2.193 34.048 31.823 0.054 0.000 1.030 603 V HN 0.626 nan 8.190 nan 0.000 0.427 604 D N 6.301 126.722 120.400 0.034 0.000 2.363 604 D HA 0.095 4.734 4.640 -0.002 0.000 0.263 604 D C 0.560 176.978 176.300 0.197 0.000 1.258 604 D CA -0.071 53.962 54.000 0.055 0.000 0.907 604 D CB 0.506 41.319 40.800 0.022 0.000 1.107 604 D HN 0.705 nan 8.370 nan 0.000 0.495 605 W N 3.365 124.787 121.300 0.203 0.000 2.966 605 W HA 0.265 4.924 4.660 -0.002 0.000 0.406 605 W C -0.987 175.531 176.519 -0.002 0.000 1.027 605 W CA -0.924 56.463 57.345 0.071 0.000 1.930 605 W CB -1.014 28.442 29.460 -0.007 0.000 1.144 605 W HN 0.181 nan 8.180 nan 0.000 0.626 606 W N 2.914 124.128 121.300 -0.143 0.000 2.496 606 W HA 0.409 5.068 4.660 -0.001 0.000 0.327 606 W C 0.942 177.449 176.519 -0.020 0.000 1.086 606 W CA -0.683 56.588 57.345 -0.124 0.000 1.222 606 W CB 0.972 30.260 29.460 -0.287 0.000 1.304 606 W HN -0.212 nan 8.180 nan 0.000 0.547 607 T N -0.867 113.816 114.554 0.215 0.000 2.900 607 T HA 0.029 4.378 4.350 -0.002 0.000 0.307 607 T C 0.936 175.737 174.700 0.169 0.000 1.065 607 T CA -0.149 62.046 62.100 0.158 0.000 1.105 607 T CB 1.039 69.979 68.868 0.121 0.000 0.979 607 T HN 0.559 nan 8.240 nan 0.000 0.544 608 Q N 0.312 120.176 119.800 0.107 0.000 2.133 608 Q HA -0.209 4.130 4.340 -0.002 0.000 0.208 608 Q C 2.443 178.501 176.000 0.097 0.000 0.991 608 Q CA 2.063 57.914 55.803 0.080 0.000 0.867 608 Q CB -0.273 28.497 28.738 0.053 0.000 0.911 608 Q HN 0.782 nan 8.270 nan 0.000 0.417 609 Q N -0.468 119.398 119.800 0.111 0.000 2.046 609 Q HA -0.076 4.263 4.340 -0.002 0.000 0.200 609 Q C 2.041 178.151 176.000 0.183 0.000 0.975 609 Q CA 2.013 57.887 55.803 0.118 0.000 0.836 609 Q CB -0.249 28.550 28.738 0.102 0.000 0.896 609 Q HN 0.280 nan 8.270 nan 0.000 0.428 610 S N 0.162 116.017 115.700 0.257 0.000 2.368 610 S HA -0.061 4.407 4.470 -0.002 0.000 0.224 610 S C 1.930 176.811 174.600 0.468 0.000 1.029 610 S CA 0.832 59.293 58.200 0.435 0.000 0.988 610 S CB -0.563 62.930 63.200 0.488 0.000 0.838 610 S HN 0.559 nan 8.310 nan 0.000 0.462 611 A N 1.309 124.312 122.820 0.305 0.000 1.892 611 A HA -0.157 4.162 4.320 -0.002 0.000 0.218 611 A C 2.313 179.901 177.584 0.006 0.000 1.188 611 A CA 2.153 54.174 52.037 -0.026 0.000 0.631 611 A CB -1.132 17.821 19.000 -0.078 0.000 0.822 611 A HN 0.489 nan 8.150 nan 0.000 0.447 612 S N -0.268 115.468 115.700 0.060 0.000 2.383 612 S HA -0.161 4.307 4.470 -0.002 0.000 0.227 612 S C 1.897 176.518 174.600 0.035 0.000 1.026 612 S CA 1.546 59.765 58.200 0.031 0.000 0.981 612 S CB -0.556 62.664 63.200 0.033 0.000 0.818 612 S HN 0.631 nan 8.310 nan 0.000 0.472 613 N N 0.891 119.660 118.700 0.114 0.000 2.142 613 N HA -0.020 4.718 4.740 -0.002 0.000 0.186 613 N C 1.355 176.807 175.510 -0.097 0.000 1.023 613 N CA 1.235 54.339 53.050 0.090 0.000 0.852 613 N CB -0.889 37.777 38.487 0.299 0.000 0.998 613 N HN 0.514 nan 8.380 nan 0.000 0.424 614 F N 2.292 122.145 119.950 -0.161 0.000 2.045 614 F HA -0.292 4.233 4.527 -0.002 0.000 0.297 614 F C 2.029 177.565 175.800 -0.440 0.000 1.114 614 F CA 1.818 59.527 58.000 -0.485 0.000 1.207 614 F CB -0.167 38.614 39.000 -0.364 0.000 0.964 614 F HN -0.065 nan 8.300 nan 0.000 0.486 615 K N -0.166 120.199 120.400 -0.058 0.000 2.074 615 K HA -0.259 4.060 4.320 -0.002 0.000 0.209 615 K C 2.170 178.592 176.600 -0.297 0.000 1.048 615 K CA 2.067 58.264 56.287 -0.149 0.000 0.926 615 K CB -0.391 32.074 32.500 -0.059 0.000 0.713 615 K HN 0.484 nan 8.250 nan 0.000 0.444 616 E N 0.185 120.227 120.200 -0.263 0.000 2.072 616 E HA -0.156 4.193 4.350 -0.002 0.000 0.190 616 E C 2.206 178.590 176.600 -0.361 0.000 0.982 616 E CA 0.720 56.967 56.400 -0.255 0.000 0.803 616 E CB 0.248 29.850 29.700 -0.163 0.000 0.755 616 E HN 0.224 nan 8.360 nan 0.000 0.453 617 Q N -0.005 119.480 119.800 -0.525 0.000 2.096 617 Q HA -0.141 4.198 4.340 -0.002 0.000 0.204 617 Q C 2.338 177.981 176.000 -0.595 0.000 0.982 617 Q CA 1.805 57.220 55.803 -0.647 0.000 0.850 617 Q CB -0.344 27.719 28.738 -1.125 0.000 0.901 617 Q HN 0.268 nan 8.270 nan 0.000 0.422 618 S N -0.204 115.077 115.700 -0.699 0.000 2.446 618 S HA -0.101 4.368 4.470 -0.002 0.000 0.225 618 S C 1.898 176.245 174.600 -0.422 0.000 1.016 618 S CA 0.775 58.614 58.200 -0.601 0.000 0.943 618 S CB -0.062 62.660 63.200 -0.796 0.000 0.786 618 S HN 0.131 nan 8.310 nan 0.000 0.508 619 Q N 1.333 120.878 119.800 -0.424 0.000 2.197 619 Q HA -0.128 4.211 4.340 -0.002 0.000 0.207 619 Q C 2.210 177.912 176.000 -0.496 0.000 0.984 619 Q CA 1.727 57.242 55.803 -0.480 0.000 0.869 619 Q CB -1.415 27.038 28.738 -0.474 0.000 0.906 619 Q HN 0.684 nan 8.270 nan 0.000 0.426 620 c N -0.572 117.836 118.600 -0.320 0.000 2.413 620 c HA -0.138 4.431 4.570 -0.002 0.000 0.276 620 c C 2.424 176.450 174.090 -0.107 0.000 1.248 620 c CA 1.356 57.584 56.329 -0.169 0.000 1.742 620 c CB -0.857 41.564 42.510 -0.148 0.000 2.017 620 c HN 0.693 nan 8.230 nan 0.000 0.481 621 M N -0.341 119.186 119.600 -0.121 0.000 2.288 621 M HA -0.063 4.416 4.480 -0.002 0.000 0.266 621 M C 2.060 178.386 176.300 0.042 0.000 1.072 621 M CA 1.111 56.427 55.300 0.027 0.000 1.132 621 M CB -0.294 32.309 32.600 0.005 0.000 1.386 621 M HN 0.281 nan 8.290 nan 0.000 0.432 622 V N -0.342 119.501 119.914 -0.119 0.000 2.287 622 V HA -0.292 3.826 4.120 -0.002 0.000 0.248 622 V C 2.185 178.280 176.094 0.002 0.000 1.053 622 V CA 1.887 64.118 62.300 -0.114 0.000 1.027 622 V CB -0.832 30.840 31.823 -0.252 0.000 0.646 622 V HN 0.337 nan 8.190 nan 0.000 0.447 623 Y N 0.315 120.569 120.300 -0.076 0.000 2.163 623 Y HA -0.197 4.351 4.550 -0.002 0.000 0.288 623 Y C 2.673 178.475 175.900 -0.163 0.000 1.136 623 Y CA 1.337 59.374 58.100 -0.104 0.000 1.147 623 Y CB -1.055 37.341 38.460 -0.106 0.000 0.987 623 Y HN 0.339 nan 8.280 nan 0.000 0.509 624 Q N -0.772 119.019 119.800 -0.015 0.000 2.002 624 Q HA -0.252 4.086 4.340 -0.002 0.000 0.204 624 Q C 1.904 177.540 176.000 -0.607 0.000 0.988 624 Q CA 2.232 57.861 55.803 -0.290 0.000 0.843 624 Q CB -0.468 28.126 28.738 -0.240 0.000 0.908 624 Q HN 0.496 nan 8.270 nan 0.000 0.420 625 Y N -0.394 119.687 120.300 -0.366 0.000 2.286 625 Y HA 0.073 4.622 4.550 -0.002 0.000 0.293 625 Y C 2.403 178.152 175.900 -0.253 0.000 1.124 625 Y CA 1.005 58.915 58.100 -0.317 0.000 1.178 625 Y CB -0.613 37.831 38.460 -0.027 0.000 1.010 625 Y HN 0.319 nan 8.280 nan 0.000 0.536 626 G N -0.110 108.700 108.800 0.017 0.000 2.532 626 G HA2 -0.296 3.662 3.960 -0.002 0.000 0.222 626 G HA3 -0.296 3.662 3.960 -0.002 0.000 0.222 626 G C 1.515 176.439 174.900 0.040 0.000 1.102 626 G CA 1.288 46.409 45.100 0.034 0.000 0.742 626 G HN 0.389 nan 8.290 nan 0.000 0.577 627 N N -0.620 117.994 118.700 -0.145 0.000 2.325 627 N HA 0.076 4.814 4.740 -0.002 0.000 0.182 627 N C -0.382 175.001 175.510 -0.212 0.000 1.088 627 N CA -0.224 52.773 53.050 -0.088 0.000 0.879 627 N CB 0.228 38.588 38.487 -0.211 0.000 0.983 627 N HN 0.106 nan 8.380 nan 0.000 0.471 628 F N 1.978 121.761 119.950 -0.279 0.000 2.543 628 F HA 0.052 4.577 4.527 -0.002 0.000 0.375 628 F C 1.262 176.670 175.800 -0.653 0.000 1.075 628 F CA -0.937 56.727 58.000 -0.560 0.000 1.225 628 F CB 0.394 38.689 39.000 -1.175 0.000 1.099 628 F HN -0.163 nan 8.300 nan 0.000 0.561 629 S N 3.689 119.197 115.700 -0.320 0.000 2.509 629 S HA 0.514 4.983 4.470 -0.002 0.000 0.297 629 S C -1.365 173.299 174.600 0.107 0.000 1.118 629 S CA -0.729 57.284 58.200 -0.311 0.000 1.074 629 S CB 1.201 64.179 63.200 -0.369 0.000 1.038 629 S HN 0.579 nan 8.310 nan 0.000 0.498 630 W N 4.513 125.783 121.300 -0.050 0.000 2.336 630 W HA 0.355 5.014 4.660 -0.002 0.000 0.315 630 W C 0.087 176.628 176.519 0.035 0.000 1.016 630 W CA -1.674 55.729 57.345 0.098 0.000 1.318 630 W CB 0.867 30.366 29.460 0.066 0.000 1.247 630 W HN 0.950 nan 8.180 nan 0.000 0.414 631 D N 2.879 123.411 120.400 0.220 0.000 2.116 631 D HA -0.292 4.347 4.640 -0.002 0.000 0.193 631 D C 1.859 178.043 176.300 -0.193 0.000 0.998 631 D CA 1.661 55.670 54.000 0.015 0.000 0.836 631 D CB -0.614 40.219 40.800 0.054 0.000 0.951 631 D HN 0.488 nan 8.370 nan 0.000 0.449 632 L N -0.125 120.834 121.223 -0.442 0.000 2.187 632 L HA -0.039 4.299 4.340 -0.002 0.000 0.213 632 L C 2.201 178.681 176.870 -0.651 0.000 1.100 632 L CA 1.188 55.686 54.840 -0.570 0.000 0.765 632 L CB -0.477 41.150 42.059 -0.720 0.000 0.904 632 L HN 0.130 nan 8.230 nan 0.000 0.437 633 A N -0.391 121.961 122.820 -0.780 0.000 2.415 633 A HA 0.420 4.739 4.320 -0.002 0.000 0.248 633 A C 1.461 178.904 177.584 -0.236 0.000 1.299 633 A CA 0.481 52.233 52.037 -0.475 0.000 0.899 633 A CB -0.354 18.425 19.000 -0.368 0.000 0.997 633 A HN 0.472 nan 8.150 nan 0.000 0.506 634 G N -1.715 106.968 108.800 -0.196 0.000 2.182 634 G HA2 0.166 4.124 3.960 -0.002 0.000 0.248 634 G HA3 0.166 4.124 3.960 -0.002 0.000 0.248 634 G C 1.388 176.258 174.900 -0.050 0.000 1.042 634 G CA 0.674 45.706 45.100 -0.114 0.000 0.775 634 G HN 2.079 nan 8.290 nan 0.000 0.501 635 G N -1.641 107.150 108.800 -0.016 0.000 2.179 635 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.260 635 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.260 635 G C 0.519 175.456 174.900 0.062 0.000 0.977 635 G CA 1.047 46.166 45.100 0.031 0.000 0.641 635 G HN 1.254 nan 8.290 nan 0.000 0.533 636 Q N 0.318 120.159 119.800 0.067 0.000 2.369 636 Q HA 0.252 4.590 4.340 -0.002 0.000 0.295 636 Q C 0.294 176.381 176.000 0.145 0.000 1.075 636 Q CA 0.325 56.205 55.803 0.128 0.000 0.941 636 Q CB 0.258 29.044 28.738 0.081 0.000 1.260 636 Q HN 0.642 nan 8.270 nan 0.000 0.417 637 H N 0.597 119.693 119.070 0.043 0.000 2.551 637 H HA 0.225 4.780 4.556 -0.002 0.000 0.358 637 H C -0.121 175.218 175.328 0.018 0.000 1.151 637 H CA -0.345 55.713 56.048 0.016 0.000 1.374 637 H CB 0.508 30.265 29.762 -0.007 0.000 1.473 637 H HN 0.400 nan 8.280 nan 0.000 0.574 638 L N 1.698 122.948 121.223 0.044 0.000 2.483 638 L HA -0.000 4.338 4.340 -0.002 0.000 0.275 638 L C 1.042 177.948 176.870 0.060 0.000 1.220 638 L CA -0.098 54.755 54.840 0.021 0.000 0.833 638 L CB 0.198 42.227 42.059 -0.050 0.000 1.102 638 L HN 0.618 nan 8.230 nan 0.000 0.490 639 N N 1.493 120.219 118.700 0.043 0.000 2.402 639 N HA 0.034 4.773 4.740 -0.002 0.000 0.259 639 N C 0.799 176.314 175.510 0.008 0.000 1.167 639 N CA 0.206 53.274 53.050 0.031 0.000 0.949 639 N CB 1.512 40.014 38.487 0.026 0.000 1.212 639 N HN 0.763 nan 8.380 nan 0.000 0.493 640 G N 3.408 112.219 108.800 0.018 0.000 2.534 640 G HA2 -0.094 3.864 3.960 -0.002 0.000 0.217 640 G HA3 -0.094 3.864 3.960 -0.002 0.000 0.217 640 G C 1.523 176.396 174.900 -0.044 0.000 1.128 640 G CA 0.281 45.383 45.100 0.004 0.000 0.784 640 G HN 0.633 nan 8.290 nan 0.000 0.542 641 I N 0.639 121.188 120.570 -0.035 0.000 2.339 641 I HA -0.051 4.118 4.170 -0.002 0.000 0.245 641 I C 2.198 178.287 176.117 -0.047 0.000 1.096 641 I CA 0.504 61.774 61.300 -0.049 0.000 1.408 641 I CB -0.043 37.936 38.000 -0.036 0.000 1.092 641 I HN -0.008 nan 8.210 nan 0.000 0.423 642 N N 0.318 118.997 118.700 -0.035 0.000 2.381 642 N HA -0.104 4.634 4.740 -0.002 0.000 0.182 642 N C 1.631 177.106 175.510 -0.059 0.000 1.025 642 N CA 1.723 54.752 53.050 -0.035 0.000 0.888 642 N CB -0.360 38.117 38.487 -0.016 0.000 0.965 642 N HN 0.434 nan 8.380 nan 0.000 0.438 643 T N -2.036 112.469 114.554 -0.081 0.000 3.086 643 T HA 0.134 4.483 4.350 -0.002 0.000 0.250 643 T C 1.740 176.346 174.700 -0.157 0.000 1.074 643 T CA -0.250 61.774 62.100 -0.125 0.000 0.988 643 T CB -0.042 68.733 68.868 -0.156 0.000 0.988 643 T HN -0.037 nan 8.240 nan 0.000 0.530 644 L N 2.782 123.932 121.223 -0.122 0.000 1.970 644 L HA 0.172 4.510 4.340 -0.002 0.000 0.212 644 L C 2.549 179.377 176.870 -0.069 0.000 1.071 644 L CA 2.355 57.118 54.840 -0.128 0.000 0.751 644 L CB -1.320 40.684 42.059 -0.092 0.000 0.889 644 L HN 0.313 nan 8.230 nan 0.000 0.432 645 G N -1.059 107.744 108.800 0.004 0.000 2.476 645 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.218 645 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.218 645 G C 1.428 176.397 174.900 0.115 0.000 1.164 645 G CA 0.826 45.987 45.100 0.103 0.000 0.768 645 G HN 0.483 nan 8.290 nan 0.000 0.560 646 E N 1.089 121.333 120.200 0.072 0.000 2.077 646 E HA -0.090 4.258 4.350 -0.002 0.000 0.193 646 E C 2.484 179.102 176.600 0.030 0.000 0.989 646 E CA 0.742 57.208 56.400 0.110 0.000 0.800 646 E CB -0.346 29.385 29.700 0.052 0.000 0.746 646 E HN 0.341 nan 8.360 nan 0.000 0.452 647 N N 0.855 119.480 118.700 -0.125 0.000 2.188 647 N HA -0.081 4.658 4.740 -0.002 0.000 0.184 647 N C 2.087 177.567 175.510 -0.050 0.000 1.018 647 N CA 0.628 53.533 53.050 -0.241 0.000 0.858 647 N CB -0.254 37.801 38.487 -0.721 0.000 0.989 647 N HN 0.212 nan 8.380 nan 0.000 0.426 648 I N 1.014 121.574 120.570 -0.017 0.000 2.226 648 I HA -0.216 3.952 4.170 -0.002 0.000 0.245 648 I C 2.220 178.411 176.117 0.124 0.000 1.100 648 I CA 0.933 62.285 61.300 0.088 0.000 1.374 648 I CB -0.199 37.894 38.000 0.155 0.000 1.057 648 I HN 0.065 nan 8.210 nan 0.000 0.413 649 A N 0.140 122.937 122.820 -0.038 0.000 1.969 649 A HA -0.216 4.103 4.320 -0.002 0.000 0.218 649 A C 1.922 179.505 177.584 -0.002 0.000 1.169 649 A CA 1.869 53.739 52.037 -0.279 0.000 0.635 649 A CB -0.473 17.809 19.000 -1.197 0.000 0.810 649 A HN 0.318 nan 8.150 nan 0.000 0.445 650 D N 0.034 120.545 120.400 0.184 0.000 2.097 650 D HA -0.105 4.534 4.640 -0.002 0.000 0.197 650 D C 1.817 178.285 176.300 0.280 0.000 0.984 650 D CA 1.022 55.239 54.000 0.361 0.000 0.826 650 D CB -0.358 40.659 40.800 0.362 0.000 0.973 650 D HN 0.405 nan 8.370 nan 0.000 0.460 651 N N 0.391 119.229 118.700 0.231 0.000 2.106 651 N HA -0.098 4.641 4.740 -0.002 0.000 0.188 651 N C 1.962 177.606 175.510 0.223 0.000 1.029 651 N CA 1.276 54.452 53.050 0.210 0.000 0.848 651 N CB -0.310 38.290 38.487 0.188 0.000 1.007 651 N HN 0.184 nan 8.380 nan 0.000 0.423 652 G N 0.646 109.606 108.800 0.267 0.000 2.446 652 G HA2 -0.205 3.754 3.960 -0.002 0.000 0.217 652 G HA3 -0.205 3.754 3.960 -0.002 0.000 0.217 652 G C 1.584 176.652 174.900 0.279 0.000 1.168 652 G CA 1.203 46.502 45.100 0.331 0.000 0.771 652 G HN 0.411 nan 8.290 nan 0.000 0.551 653 G N 0.717 109.666 108.800 0.248 0.000 2.446 653 G HA2 -0.155 3.804 3.960 -0.002 0.000 0.217 653 G HA3 -0.155 3.804 3.960 -0.002 0.000 0.217 653 G C 1.789 176.840 174.900 0.251 0.000 1.168 653 G CA 1.068 46.321 45.100 0.254 0.000 0.771 653 G HN 0.450 nan 8.290 nan 0.000 0.551 654 L N 1.178 122.523 121.223 0.202 0.000 2.109 654 L HA 0.246 4.584 4.340 -0.002 0.000 0.207 654 L C 2.798 179.817 176.870 0.248 0.000 1.086 654 L CA 2.023 56.942 54.840 0.131 0.000 0.760 654 L CB -0.717 41.239 42.059 -0.171 0.000 0.910 654 L HN 0.163 nan 8.230 nan 0.000 0.437 655 G N -1.030 107.907 108.800 0.228 0.000 2.459 655 G HA2 -0.315 3.644 3.960 -0.002 0.000 0.217 655 G HA3 -0.315 3.644 3.960 -0.002 0.000 0.217 655 G C 1.439 176.504 174.900 0.275 0.000 1.183 655 G CA 0.952 46.201 45.100 0.250 0.000 0.776 655 G HN 0.510 nan 8.290 nan 0.000 0.552 656 Q N 0.192 120.152 119.800 0.267 0.000 2.084 656 Q HA 0.083 4.422 4.340 -0.002 0.000 0.202 656 Q C 2.977 179.144 176.000 0.278 0.000 0.978 656 Q CA 1.439 57.394 55.803 0.255 0.000 0.844 656 Q CB -0.291 28.608 28.738 0.269 0.000 0.898 656 Q HN 0.472 nan 8.270 nan 0.000 0.426 657 A N -0.121 122.903 122.820 0.340 0.000 1.933 657 A HA -0.215 4.104 4.320 -0.002 0.000 0.218 657 A C 1.886 179.746 177.584 0.460 0.000 1.175 657 A CA 1.275 53.581 52.037 0.448 0.000 0.628 657 A CB -0.775 18.511 19.000 0.477 0.000 0.814 657 A HN 0.501 nan 8.150 nan 0.000 0.444 658 Y N 0.401 120.811 120.300 0.183 0.000 2.200 658 Y HA -0.146 4.403 4.550 -0.002 0.000 0.290 658 Y C 2.480 178.297 175.900 -0.139 0.000 1.137 658 Y CA 1.915 59.826 58.100 -0.316 0.000 1.163 658 Y CB -0.268 37.987 38.460 -0.341 0.000 0.988 658 Y HN 0.248 nan 8.280 nan 0.000 0.518 659 R N -0.506 120.001 120.500 0.012 0.000 2.115 659 R HA -0.074 4.265 4.340 -0.002 0.000 0.230 659 R C 2.440 178.705 176.300 -0.058 0.000 1.111 659 R CA 0.914 56.982 56.100 -0.054 0.000 0.976 659 R CB -0.432 29.907 30.300 0.066 0.000 0.870 659 R HN 0.399 nan 8.270 nan 0.000 0.445 660 A N 0.183 123.042 122.820 0.065 0.000 1.930 660 A HA -0.200 4.119 4.320 -0.002 0.000 0.217 660 A C 1.880 179.420 177.584 -0.074 0.000 1.175 660 A CA 0.994 53.108 52.037 0.128 0.000 0.627 660 A CB -0.564 18.652 19.000 0.360 0.000 0.815 660 A HN 0.412 nan 8.150 nan 0.000 0.443 661 Y N 0.641 120.666 120.300 -0.459 0.000 2.242 661 Y HA -0.168 4.381 4.550 -0.002 0.000 0.291 661 Y C 2.400 178.014 175.900 -0.477 0.000 1.137 661 Y CA 1.883 59.483 58.100 -0.833 0.000 1.181 661 Y CB -0.555 37.460 38.460 -0.742 0.000 0.989 661 Y HN 0.459 nan 8.280 nan 0.000 0.527 662 Q N -0.174 119.276 119.800 -0.583 0.000 2.050 662 Q HA -0.214 4.125 4.340 -0.002 0.000 0.202 662 Q C 1.867 177.662 176.000 -0.342 0.000 0.980 662 Q CA 1.568 57.050 55.803 -0.535 0.000 0.840 662 Q CB -0.266 28.195 28.738 -0.462 0.000 0.898 662 Q HN 0.436 nan 8.270 nan 0.000 0.424 663 N N -0.172 118.400 118.700 -0.213 0.000 2.348 663 N HA -0.184 4.554 4.740 -0.002 0.000 0.185 663 N C 1.254 176.703 175.510 -0.102 0.000 1.019 663 N CA 1.045 54.025 53.050 -0.117 0.000 0.880 663 N CB -0.194 38.274 38.487 -0.032 0.000 0.965 663 N HN 0.394 nan 8.380 nan 0.000 0.437 664 Y N 0.565 120.697 120.300 -0.279 0.000 2.262 664 Y HA 0.187 4.736 4.550 -0.002 0.000 0.295 664 Y C 2.114 177.849 175.900 -0.275 0.000 1.121 664 Y CA 0.692 58.656 58.100 -0.226 0.000 1.144 664 Y CB -0.197 38.116 38.460 -0.244 0.000 1.043 664 Y HN -0.111 nan 8.280 nan 0.000 0.528 665 I N 0.757 121.047 120.570 -0.467 0.000 2.208 665 I HA -0.341 3.828 4.170 -0.002 0.000 0.245 665 I C 2.511 178.403 176.117 -0.376 0.000 1.097 665 I CA 1.678 62.679 61.300 -0.498 0.000 1.363 665 I CB -0.447 37.217 38.000 -0.561 0.000 1.051 665 I HN 0.261 nan 8.210 nan 0.000 0.413 666 K N 1.402 121.618 120.400 -0.306 0.000 2.015 666 K HA -0.299 4.020 4.320 -0.002 0.000 0.216 666 K C 2.172 178.646 176.600 -0.209 0.000 1.052 666 K CA 2.494 58.651 56.287 -0.216 0.000 0.937 666 K CB -0.122 32.276 32.500 -0.170 0.000 0.719 666 K HN 0.257 nan 8.250 nan 0.000 0.446 667 K N -0.654 119.604 120.400 -0.237 0.000 2.167 667 K HA -0.036 4.282 4.320 -0.002 0.000 0.203 667 K C 1.425 177.879 176.600 -0.242 0.000 1.052 667 K CA 1.495 57.664 56.287 -0.197 0.000 0.956 667 K CB 0.168 32.578 32.500 -0.151 0.000 0.735 667 K HN 0.102 nan 8.250 nan 0.000 0.451 668 N N -0.190 118.273 118.700 -0.395 0.000 2.397 668 N HA 0.145 4.884 4.740 -0.002 0.000 0.190 668 N C -0.134 175.192 175.510 -0.307 0.000 1.099 668 N CA 0.956 53.758 53.050 -0.413 0.000 0.876 668 N CB 1.557 39.573 38.487 -0.785 0.000 1.143 668 N HN 0.359 nan 8.380 nan 0.000 0.468 669 G N 1.508 110.121 108.800 -0.311 0.000 2.539 669 G HA2 -0.149 3.810 3.960 -0.002 0.000 0.686 669 G HA3 -0.149 3.810 3.960 -0.002 0.000 0.686 669 G C -0.974 173.823 174.900 -0.171 0.000 1.258 669 G CA -0.815 44.169 45.100 -0.194 0.000 0.846 669 G HN 0.137 nan 8.290 nan 0.000 0.647 670 E N 0.440 120.576 120.200 -0.106 0.000 2.568 670 E HA 0.264 4.612 4.350 -0.002 0.000 0.262 670 E C 1.213 177.808 176.600 -0.009 0.000 0.961 670 E CA 1.003 57.377 56.400 -0.044 0.000 0.945 670 E CB 0.287 29.989 29.700 0.003 0.000 0.924 670 E HN 0.553 nan 8.360 nan 0.000 0.467 671 E N 3.469 123.666 120.200 -0.006 0.000 2.232 671 E HA 0.315 4.664 4.350 -0.002 0.000 0.265 671 E C -0.664 176.016 176.600 0.134 0.000 1.001 671 E CA -0.980 55.425 56.400 0.009 0.000 0.870 671 E CB 1.032 30.685 29.700 -0.079 0.000 1.175 671 E HN 0.220 nan 8.360 nan 0.000 0.407 672 K N 1.143 121.637 120.400 0.158 0.000 2.355 672 K HA 0.157 4.476 4.320 -0.002 0.000 0.270 672 K C 0.126 176.921 176.600 0.324 0.000 1.003 672 K CA -0.198 56.203 56.287 0.189 0.000 0.957 672 K CB 0.426 33.001 32.500 0.125 0.000 0.939 672 K HN 0.351 nan 8.250 nan 0.000 0.482 673 L N 2.584 123.929 121.223 0.203 0.000 2.472 673 L HA 0.188 4.527 4.340 -0.002 0.000 0.260 673 L C 0.348 177.260 176.870 0.070 0.000 1.209 673 L CA -0.481 54.421 54.840 0.102 0.000 0.817 673 L CB 0.142 42.228 42.059 0.046 0.000 1.106 673 L HN 0.356 nan 8.230 nan 0.000 0.479 674 L N 2.950 124.167 121.223 -0.010 0.000 2.292 674 L HA 0.368 4.707 4.340 -0.002 0.000 0.284 674 L C -1.992 174.888 176.870 0.016 0.000 1.065 674 L CA -1.909 52.941 54.840 0.017 0.000 0.806 674 L CB 1.332 43.393 42.059 0.002 0.000 1.175 674 L HN 0.349 nan 8.230 nan 0.000 0.431 675 P HA 0.085 nan 4.420 nan 0.000 0.271 675 P C 0.644 177.955 177.300 0.018 0.000 1.216 675 P CA 0.326 63.440 63.100 0.022 0.000 0.776 675 P CB 1.135 32.848 31.700 0.022 0.000 0.881 676 G N 1.348 110.159 108.800 0.019 0.000 2.179 676 G HA2 -0.222 3.736 3.960 -0.002 0.000 0.260 676 G HA3 -0.222 3.736 3.960 -0.002 0.000 0.260 676 G C -0.298 174.616 174.900 0.023 0.000 0.977 676 G CA -0.079 45.032 45.100 0.018 0.000 0.641 676 G HN 0.491 nan 8.290 nan 0.000 0.533 677 L N 0.933 122.172 121.223 0.026 0.000 2.376 677 L HA 0.472 4.811 4.340 -0.002 0.000 0.275 677 L C -0.638 176.260 176.870 0.048 0.000 0.987 677 L CA -0.830 54.033 54.840 0.039 0.000 0.828 677 L CB 1.891 43.970 42.059 0.032 0.000 1.249 677 L HN -0.074 nan 8.230 nan 0.000 0.409 678 D N 5.215 125.659 120.400 0.073 0.000 3.060 678 D HA 0.316 4.955 4.640 -0.002 0.000 0.245 678 D C -0.406 175.952 176.300 0.095 0.000 1.274 678 D CA 0.357 54.403 54.000 0.077 0.000 0.864 678 D CB 0.204 41.054 40.800 0.085 0.000 1.073 678 D HN 0.241 nan 8.370 nan 0.000 0.473 679 L N 1.025 122.295 121.223 0.078 0.000 2.370 679 L HA 0.306 4.644 4.340 -0.002 0.000 0.266 679 L C 0.500 177.375 176.870 0.009 0.000 1.002 679 L CA -1.209 53.676 54.840 0.075 0.000 0.818 679 L CB 1.811 43.961 42.059 0.151 0.000 1.325 679 L HN -0.059 nan 8.230 nan 0.000 0.418 680 N N -0.950 117.754 118.700 0.007 0.000 2.418 680 N HA 0.123 4.861 4.740 -0.002 0.000 0.283 680 N C 0.572 176.106 175.510 0.041 0.000 1.267 680 N CA -0.278 52.779 53.050 0.011 0.000 0.975 680 N CB 0.318 38.840 38.487 0.058 0.000 1.167 680 N HN 0.465 nan 8.380 nan 0.000 0.581 681 H N -0.871 118.303 119.070 0.173 0.000 2.497 681 H HA 0.147 4.702 4.556 -0.002 0.000 0.282 681 H C 1.033 176.559 175.328 0.331 0.000 1.003 681 H CA 0.715 56.913 56.048 0.250 0.000 1.307 681 H CB 0.334 30.280 29.762 0.307 0.000 1.437 681 H HN 0.544 nan 8.280 nan 0.000 0.544 682 K N 0.908 121.555 120.400 0.411 0.000 2.044 682 K HA -0.199 4.120 4.320 -0.002 0.000 0.210 682 K C 2.027 178.896 176.600 0.448 0.000 1.049 682 K CA 1.424 57.958 56.287 0.411 0.000 0.927 682 K CB -0.130 32.550 32.500 0.300 0.000 0.713 682 K HN 0.460 nan 8.250 nan 0.000 0.443 683 Q N 0.648 120.592 119.800 0.240 0.000 2.119 683 Q HA -0.050 4.289 4.340 -0.002 0.000 0.201 683 Q C 2.312 178.638 176.000 0.543 0.000 0.972 683 Q CA 0.932 56.853 55.803 0.198 0.000 0.847 683 Q CB -0.135 28.486 28.738 -0.196 0.000 0.903 683 Q HN 0.291 nan 8.270 nan 0.000 0.433 684 L N -0.127 121.323 121.223 0.378 0.000 2.141 684 L HA -0.149 4.190 4.340 -0.002 0.000 0.209 684 L C 2.284 179.372 176.870 0.364 0.000 1.094 684 L CA 0.768 55.809 54.840 0.335 0.000 0.763 684 L CB -0.393 41.772 42.059 0.176 0.000 0.908 684 L HN 0.201 nan 8.230 nan 0.000 0.437 685 F N 0.827 120.898 119.950 0.202 0.000 2.065 685 F HA -0.300 4.226 4.527 -0.002 0.000 0.298 685 F C 2.109 177.983 175.800 0.125 0.000 1.112 685 F CA 1.745 59.774 58.000 0.048 0.000 1.212 685 F CB -0.471 38.475 39.000 -0.089 0.000 0.975 685 F HN -0.110 nan 8.300 nan 0.000 0.476 686 F N -0.066 120.291 119.950 0.679 0.000 2.234 686 F HA -0.155 4.370 4.527 -0.002 0.000 0.299 686 F C 2.469 178.702 175.800 0.723 0.000 1.087 686 F CA 0.912 59.297 58.000 0.640 0.000 1.340 686 F CB -0.684 38.737 39.000 0.701 0.000 1.031 686 F HN 0.037 nan 8.300 nan 0.000 0.500 687 L N 0.259 122.001 121.223 0.866 0.000 2.042 687 L HA -0.286 4.052 4.340 -0.002 0.000 0.210 687 L C 2.391 179.449 176.870 0.314 0.000 1.076 687 L CA 1.712 56.937 54.840 0.642 0.000 0.749 687 L CB -0.489 41.860 42.059 0.482 0.000 0.893 687 L HN 0.297 nan 8.230 nan 0.000 0.432 688 N N -0.587 118.234 118.700 0.202 0.000 2.250 688 N HA -0.221 4.518 4.740 -0.002 0.000 0.181 688 N C 2.049 177.545 175.510 -0.024 0.000 1.017 688 N CA 0.938 54.000 53.050 0.020 0.000 0.866 688 N CB -0.027 38.438 38.487 -0.038 0.000 0.985 688 N HN 0.327 nan 8.380 nan 0.000 0.429 689 F N 1.848 121.741 119.950 -0.094 0.000 2.126 689 F HA -0.151 4.375 4.527 -0.002 0.000 0.299 689 F C 2.229 178.066 175.800 0.060 0.000 1.096 689 F CA 1.711 59.666 58.000 -0.076 0.000 1.255 689 F CB -0.325 38.630 39.000 -0.076 0.000 0.997 689 F HN 0.016 nan 8.300 nan 0.000 0.479 690 A N -0.077 122.711 122.820 -0.052 0.000 1.929 690 A HA -0.159 4.159 4.320 -0.002 0.000 0.216 690 A C 2.150 179.661 177.584 -0.122 0.000 1.176 690 A CA 1.501 53.488 52.037 -0.084 0.000 0.628 690 A CB -0.745 18.442 19.000 0.312 0.000 0.816 690 A HN 0.625 nan 8.150 nan 0.000 0.444 691 Q N -0.402 119.305 119.800 -0.155 0.000 2.378 691 Q HA -0.021 4.318 4.340 -0.002 0.000 0.205 691 Q C 1.847 177.640 176.000 -0.345 0.000 0.954 691 Q CA 0.764 56.432 55.803 -0.224 0.000 0.901 691 Q CB -0.148 28.475 28.738 -0.192 0.000 0.981 691 Q HN 0.484 nan 8.270 nan 0.000 0.483 692 V N -0.546 119.079 119.914 -0.482 0.000 2.439 692 V HA -0.262 3.856 4.120 -0.002 0.000 0.253 692 V C 0.935 176.586 176.094 -0.738 0.000 1.074 692 V CA 1.797 63.636 62.300 -0.770 0.000 1.076 692 V CB -0.362 30.847 31.823 -1.023 0.000 0.664 692 V HN 0.530 nan 8.190 nan 0.000 0.461 693 W N -2.678 118.474 121.300 -0.246 0.000 2.846 693 W HA 0.339 4.997 4.660 -0.002 0.000 0.391 693 W C 0.667 177.131 176.519 -0.092 0.000 1.011 693 W CA -1.017 56.224 57.345 -0.175 0.000 1.832 693 W CB 0.205 29.559 29.460 -0.175 0.000 1.151 693 W HN 0.024 nan 8.180 nan 0.000 0.582 694 c N 2.390 120.923 118.600 -0.112 0.000 2.517 694 c HA 0.446 5.015 4.570 -0.002 0.000 0.403 694 c C 1.200 174.836 174.090 -0.757 0.000 1.467 694 c CA 1.071 57.147 56.329 -0.423 0.000 1.542 694 c CB -1.341 40.784 42.510 -0.641 0.000 2.482 694 c HN 0.619 nan 8.230 nan 0.000 0.610 695 G N 2.700 111.198 108.800 -0.502 0.000 2.351 695 G HA2 0.519 4.478 3.960 -0.002 0.000 0.279 695 G HA3 0.519 4.478 3.960 -0.002 0.000 0.279 695 G C -0.934 174.085 174.900 0.197 0.000 1.297 695 G CA 0.389 45.143 45.100 -0.576 0.000 0.886 695 G HN 0.840 nan 8.290 nan 0.000 0.493 696 T N -1.936 112.792 114.554 0.289 0.000 2.693 696 T HA 0.671 5.019 4.350 -0.002 0.000 0.304 696 T C -2.136 172.773 174.700 0.348 0.000 1.471 696 T CA -0.495 61.879 62.100 0.456 0.000 0.993 696 T CB 1.203 70.357 68.868 0.477 0.000 1.554 696 T HN 0.804 nan 8.240 nan 0.000 0.496 697 Y N 0.630 121.125 120.300 0.325 0.000 2.512 697 Y HA 0.618 5.166 4.550 -0.002 0.000 0.348 697 Y C 0.693 176.708 175.900 0.192 0.000 0.990 697 Y CA -1.183 57.105 58.100 0.314 0.000 1.033 697 Y CB 1.744 40.421 38.460 0.363 0.000 1.259 697 Y HN 0.441 nan 8.280 nan 0.000 0.461 698 R N 3.079 123.773 120.500 0.324 0.000 2.543 698 R HA 0.086 4.425 4.340 -0.002 0.000 0.277 698 R C -1.889 174.494 176.300 0.139 0.000 1.074 698 R CA -1.319 54.901 56.100 0.201 0.000 1.076 698 R CB 0.393 30.799 30.300 0.176 0.000 0.993 698 R HN 0.412 nan 8.270 nan 0.000 0.459 699 P HA -0.180 nan 4.420 nan 0.000 0.215 699 P C 0.387 177.642 177.300 -0.076 0.000 1.153 699 P CA 1.333 64.377 63.100 -0.093 0.000 0.853 699 P CB 0.294 31.945 31.700 -0.082 0.000 0.788 700 E N -1.849 118.355 120.200 0.007 0.000 2.110 700 E HA -0.206 4.142 4.350 -0.002 0.000 0.193 700 E C 1.972 178.629 176.600 0.095 0.000 0.988 700 E CA 1.104 57.520 56.400 0.026 0.000 0.804 700 E CB -0.919 28.808 29.700 0.045 0.000 0.745 700 E HN 0.387 nan 8.360 nan 0.000 0.458 701 Y N 0.169 120.500 120.300 0.051 0.000 2.337 701 Y HA -0.040 4.509 4.550 -0.002 0.000 0.293 701 Y C 2.173 178.163 175.900 0.151 0.000 1.123 701 Y CA 0.737 58.923 58.100 0.143 0.000 1.201 701 Y CB 0.026 38.647 38.460 0.267 0.000 1.011 701 Y HN 0.062 nan 8.280 nan 0.000 0.545 702 A N -0.525 122.244 122.820 -0.085 0.000 1.908 702 A HA -0.186 4.133 4.320 -0.002 0.000 0.218 702 A C 2.224 179.589 177.584 -0.365 0.000 1.181 702 A CA 1.966 53.670 52.037 -0.556 0.000 0.627 702 A CB -1.257 17.038 19.000 -1.174 0.000 0.818 702 A HN 0.314 nan 8.150 nan 0.000 0.445 703 V N 1.098 120.867 119.914 -0.241 0.000 2.407 703 V HA -0.252 3.867 4.120 -0.002 0.000 0.248 703 V C 2.547 178.652 176.094 0.017 0.000 1.055 703 V CA 2.186 64.404 62.300 -0.137 0.000 1.049 703 V CB -0.951 30.764 31.823 -0.180 0.000 0.662 703 V HN 0.726 nan 8.190 nan 0.000 0.455 704 N N 0.006 118.722 118.700 0.027 0.000 2.062 704 N HA -0.160 4.579 4.740 -0.002 0.000 0.191 704 N C 2.170 177.657 175.510 -0.039 0.000 1.042 704 N CA 2.089 55.183 53.050 0.074 0.000 0.845 704 N CB -0.306 38.159 38.487 -0.037 0.000 1.024 704 N HN 0.354 nan 8.380 nan 0.000 0.424 705 S N 0.289 115.829 115.700 -0.267 0.000 2.382 705 S HA 0.027 4.495 4.470 -0.002 0.000 0.228 705 S C 2.068 176.695 174.600 0.046 0.000 1.027 705 S CA 0.500 58.597 58.200 -0.172 0.000 0.991 705 S CB -0.379 62.674 63.200 -0.244 0.000 0.823 705 S HN 0.435 nan 8.310 nan 0.000 0.469 706 I N 0.347 120.999 120.570 0.136 0.000 2.567 706 I HA -0.142 4.027 4.170 -0.002 0.000 0.257 706 I C 1.668 177.851 176.117 0.110 0.000 1.184 706 I CA 1.171 62.577 61.300 0.176 0.000 1.451 706 I CB 0.017 38.166 38.000 0.248 0.000 1.089 706 I HN 0.156 nan 8.210 nan 0.000 0.441 707 K N -0.524 119.943 120.400 0.112 0.000 2.335 707 K HA 0.126 4.445 4.320 -0.002 0.000 0.195 707 K C 1.757 178.411 176.600 0.090 0.000 1.058 707 K CA 1.402 57.758 56.287 0.114 0.000 0.988 707 K CB 0.139 32.742 32.500 0.171 0.000 0.880 707 K HN 0.413 nan 8.250 nan 0.000 0.513 708 T N -2.232 112.373 114.554 0.084 0.000 2.969 708 T HA 0.097 4.446 4.350 -0.002 0.000 0.250 708 T C 0.428 175.182 174.700 0.091 0.000 1.021 708 T CA -0.259 61.891 62.100 0.082 0.000 1.003 708 T CB 0.260 69.181 68.868 0.089 0.000 1.040 708 T HN -0.202 nan 8.240 nan 0.000 0.492 709 D N 2.547 123.003 120.400 0.093 0.000 2.280 709 D HA 0.262 4.901 4.640 -0.002 0.000 0.243 709 D C 1.543 177.874 176.300 0.052 0.000 1.129 709 D CA -0.446 53.631 54.000 0.128 0.000 0.848 709 D CB 1.953 42.858 40.800 0.175 0.000 1.107 709 D HN 0.121 nan 8.370 nan 0.000 0.471 710 V N 1.825 121.729 119.914 -0.017 0.000 3.141 710 V HA 0.036 4.155 4.120 -0.002 0.000 0.265 710 V C 0.457 176.429 176.094 -0.203 0.000 1.126 710 V CA 0.681 62.906 62.300 -0.125 0.000 1.141 710 V CB -1.316 30.404 31.823 -0.173 0.000 0.743 710 V HN 0.411 nan 8.190 nan 0.000 0.492 711 H N 0.683 119.757 119.070 0.007 0.000 2.582 711 H HA 0.568 5.123 4.556 -0.002 0.000 0.345 711 H C 0.723 175.975 175.328 -0.126 0.000 1.104 711 H CA 0.104 56.123 56.048 -0.048 0.000 1.390 711 H CB 0.826 30.549 29.762 -0.065 0.000 1.461 711 H HN 0.246 nan 8.280 nan 0.000 0.551 712 S N 3.536 119.198 115.700 -0.063 0.000 2.573 712 S HA 0.071 4.540 4.470 -0.002 0.000 0.277 712 S C -2.106 172.315 174.600 -0.299 0.000 1.346 712 S CA -1.054 57.054 58.200 -0.154 0.000 1.034 712 S CB 0.196 63.362 63.200 -0.055 0.000 0.879 712 S HN 0.527 nan 8.310 nan 0.000 0.528 713 P HA 0.072 nan 4.420 nan 0.000 0.267 713 P C 1.147 178.072 177.300 -0.625 0.000 1.200 713 P CA 0.074 62.795 63.100 -0.632 0.000 0.772 713 P CB 0.147 31.096 31.700 -1.251 0.000 0.855 714 G N 3.359 111.775 108.800 -0.639 0.000 2.513 714 G HA2 -0.332 3.627 3.960 -0.002 0.000 0.219 714 G HA3 -0.332 3.627 3.960 -0.002 0.000 0.219 714 G C 1.274 175.724 174.900 -0.750 0.000 1.160 714 G CA 0.962 45.536 45.100 -0.876 0.000 0.767 714 G HN 0.667 nan 8.290 nan 0.000 0.571 715 N N 0.697 118.797 118.700 -1.001 0.000 2.166 715 N HA -0.107 4.632 4.740 -0.002 0.000 0.186 715 N C 1.943 176.814 175.510 -1.063 0.000 1.019 715 N CA 1.386 53.472 53.050 -1.607 0.000 0.856 715 N CB -0.878 36.346 38.487 -2.105 0.000 0.993 715 N HN 0.443 nan 8.380 nan 0.000 0.426 716 F N 0.886 120.392 119.950 -0.740 0.000 2.512 716 F HA 0.236 4.761 4.527 -0.002 0.000 0.296 716 F C 2.628 178.241 175.800 -0.312 0.000 1.110 716 F CA -0.066 57.521 58.000 -0.688 0.000 1.446 716 F CB 0.077 38.645 39.000 -0.719 0.000 1.092 716 F HN -0.104 nan 8.300 nan 0.000 0.554 717 R N 0.459 120.875 120.500 -0.139 0.000 2.091 717 R HA -0.163 4.176 4.340 -0.002 0.000 0.238 717 R C 2.050 178.414 176.300 0.107 0.000 1.136 717 R CA 1.701 57.801 56.100 0.001 0.000 0.959 717 R CB -0.564 29.563 30.300 -0.289 0.000 0.856 717 R HN 0.314 nan 8.270 nan 0.000 0.437 718 I N 0.301 120.846 120.570 -0.042 0.000 2.193 718 I HA -0.245 3.924 4.170 -0.002 0.000 0.240 718 I C 2.258 178.427 176.117 0.086 0.000 1.084 718 I CA 1.275 62.640 61.300 0.108 0.000 1.365 718 I CB -0.173 37.878 38.000 0.085 0.000 1.064 718 I HN 0.078 nan 8.210 nan 0.000 0.410 719 I N 0.557 121.082 120.570 -0.076 0.000 2.179 719 I HA -0.208 3.960 4.170 -0.002 0.000 0.242 719 I C 2.705 178.774 176.117 -0.080 0.000 1.088 719 I CA 1.624 62.858 61.300 -0.110 0.000 1.357 719 I CB -1.022 36.856 38.000 -0.204 0.000 1.051 719 I HN 0.285 nan 8.210 nan 0.000 0.409 720 G N 0.856 109.614 108.800 -0.069 0.000 2.553 720 G HA2 -0.361 3.598 3.960 -0.002 0.000 0.218 720 G HA3 -0.361 3.598 3.960 -0.002 0.000 0.218 720 G C 1.744 176.690 174.900 0.076 0.000 1.195 720 G CA 1.979 47.036 45.100 -0.072 0.000 0.779 720 G HN 0.467 nan 8.290 nan 0.000 0.577 721 T N -0.274 114.408 114.554 0.213 0.000 2.777 721 T HA 0.052 4.401 4.350 -0.002 0.000 0.266 721 T C 2.449 177.179 174.700 0.049 0.000 1.040 721 T CA 1.213 63.438 62.100 0.207 0.000 1.141 721 T CB -0.317 68.745 68.868 0.322 0.000 0.868 721 T HN 0.189 nan 8.240 nan 0.000 0.444 722 L N 0.460 121.649 121.223 -0.056 0.000 2.313 722 L HA 0.071 4.410 4.340 -0.002 0.000 0.214 722 L C 3.068 179.760 176.870 -0.298 0.000 1.119 722 L CA 0.791 55.424 54.840 -0.345 0.000 0.809 722 L CB -0.640 40.908 42.059 -0.852 0.000 0.933 722 L HN 0.305 nan 8.230 nan 0.000 0.449 723 Q N 0.138 119.827 119.800 -0.185 0.000 2.226 723 Q HA -0.138 4.200 4.340 -0.002 0.000 0.204 723 Q C 1.298 177.255 176.000 -0.073 0.000 0.975 723 Q CA 1.022 56.743 55.803 -0.136 0.000 0.866 723 Q CB 0.022 28.670 28.738 -0.150 0.000 0.915 723 Q HN 0.495 nan 8.270 nan 0.000 0.440 724 N N -0.274 118.403 118.700 -0.039 0.000 2.336 724 N HA 0.001 4.740 4.740 -0.002 0.000 0.189 724 N C -0.369 175.150 175.510 0.014 0.000 1.113 724 N CA 0.200 53.249 53.050 -0.001 0.000 0.858 724 N CB 0.813 39.323 38.487 0.038 0.000 0.970 724 N HN -0.090 nan 8.380 nan 0.000 0.471 725 S N 0.067 115.765 115.700 -0.003 0.000 2.448 725 S HA 0.551 5.019 4.470 -0.002 0.000 0.320 725 S C 1.053 175.663 174.600 0.017 0.000 1.071 725 S CA -0.647 57.563 58.200 0.016 0.000 1.113 725 S CB 1.001 64.204 63.200 0.005 0.000 0.972 725 S HN 0.266 nan 8.310 nan 0.000 0.465 726 A N 4.681 127.513 122.820 0.019 0.000 1.898 726 A HA -0.016 4.302 4.320 -0.002 0.000 0.216 726 A C 1.826 179.396 177.584 -0.024 0.000 1.181 726 A CA 1.543 53.585 52.037 0.009 0.000 0.620 726 A CB -0.668 18.346 19.000 0.024 0.000 0.819 726 A HN 0.768 nan 8.150 nan 0.000 0.442 727 E N -0.773 119.412 120.200 -0.025 0.000 2.118 727 E HA -0.172 4.177 4.350 -0.002 0.000 0.195 727 E C 1.577 178.040 176.600 -0.229 0.000 0.992 727 E CA 1.363 57.720 56.400 -0.072 0.000 0.804 727 E CB -0.508 29.075 29.700 -0.194 0.000 0.741 727 E HN 0.738 nan 8.360 nan 0.000 0.458 728 F N 0.772 120.360 119.950 -0.605 0.000 2.134 728 F HA -0.200 4.325 4.527 -0.002 0.000 0.299 728 F C 2.078 177.604 175.800 -0.456 0.000 1.097 728 F CA 1.443 58.802 58.000 -1.068 0.000 1.264 728 F CB -0.141 38.206 39.000 -1.089 0.000 1.001 728 F HN -0.106 nan 8.300 nan 0.000 0.479 729 S N 0.252 115.752 115.700 -0.333 0.000 2.368 729 S HA -0.190 4.279 4.470 -0.002 0.000 0.224 729 S C 1.904 176.332 174.600 -0.287 0.000 1.029 729 S CA 1.031 59.049 58.200 -0.302 0.000 0.988 729 S CB -0.500 62.660 63.200 -0.067 0.000 0.838 729 S HN 0.474 nan 8.310 nan 0.000 0.462 730 E N 1.698 121.772 120.200 -0.209 0.000 2.048 730 E HA -0.237 4.112 4.350 -0.002 0.000 0.202 730 E C 2.208 178.580 176.600 -0.380 0.000 1.021 730 E CA 1.574 57.868 56.400 -0.176 0.000 0.825 730 E CB -0.326 29.327 29.700 -0.079 0.000 0.756 730 E HN 0.463 nan 8.360 nan 0.000 0.454 731 A N -0.492 122.057 122.820 -0.452 0.000 1.969 731 A HA -0.111 4.208 4.320 -0.002 0.000 0.218 731 A C 1.593 178.554 177.584 -1.039 0.000 1.169 731 A CA 1.125 52.800 52.037 -0.603 0.000 0.635 731 A CB -0.397 18.354 19.000 -0.416 0.000 0.810 731 A HN 0.265 nan 8.150 nan 0.000 0.445 732 F N -1.508 117.970 119.950 -0.787 0.000 2.668 732 F HA 0.269 4.794 4.527 -0.002 0.000 0.301 732 F C 0.148 175.685 175.800 -0.438 0.000 1.106 732 F CA -0.193 57.420 58.000 -0.646 0.000 1.289 732 F CB -0.366 38.212 39.000 -0.705 0.000 1.006 732 F HN 0.392 nan 8.300 nan 0.000 0.535 733 H N -1.717 117.279 119.070 -0.124 0.000 2.750 733 H HA -0.186 4.369 4.556 -0.002 0.000 0.327 733 H C -0.392 174.904 175.328 -0.053 0.000 1.199 733 H CA -0.246 55.758 56.048 -0.075 0.000 1.149 733 H CB -1.968 27.765 29.762 -0.047 0.000 1.543 733 H HN 0.221 nan 8.280 nan 0.000 0.427 734 c N 1.374 119.968 118.600 -0.010 0.000 2.330 734 c HA 0.335 4.903 4.570 -0.002 0.000 0.344 734 c C 1.279 175.383 174.090 0.024 0.000 1.273 734 c CA -0.730 55.598 56.329 -0.001 0.000 1.879 734 c CB 0.481 42.968 42.510 -0.040 0.000 2.376 734 c HN 0.544 nan 8.230 nan 0.000 0.534 735 R N 1.992 122.515 120.500 0.038 0.000 2.570 735 R HA 0.119 4.458 4.340 -0.002 0.000 0.277 735 R C 0.148 176.468 176.300 0.033 0.000 1.039 735 R CA 0.124 56.246 56.100 0.036 0.000 1.065 735 R CB 0.351 30.675 30.300 0.040 0.000 0.964 735 R HN 0.645 nan 8.270 nan 0.000 0.428 736 K N 3.720 124.135 120.400 0.025 0.000 2.476 736 K HA -0.221 4.098 4.320 -0.002 0.000 0.273 736 K C 0.102 176.719 176.600 0.028 0.000 1.056 736 K CA 0.268 56.568 56.287 0.022 0.000 1.150 736 K CB -0.071 32.439 32.500 0.017 0.000 0.838 736 K HN 0.603 nan 8.250 nan 0.000 0.486 737 N N -0.092 118.624 118.700 0.027 0.000 2.909 737 N HA -0.191 4.548 4.740 -0.002 0.000 0.242 737 N C -0.839 174.709 175.510 0.064 0.000 0.975 737 N CA 1.110 54.182 53.050 0.036 0.000 0.921 737 N CB -1.333 37.173 38.487 0.032 0.000 1.112 737 N HN 0.667 nan 8.380 nan 0.000 0.581 738 S N -0.396 115.346 115.700 0.069 0.000 2.930 738 S HA -0.195 4.274 4.470 -0.002 0.000 0.351 738 S C 1.433 176.108 174.600 0.125 0.000 1.210 738 S CA 0.420 58.681 58.200 0.102 0.000 0.993 738 S CB 0.109 63.361 63.200 0.087 0.000 0.682 738 S HN 0.394 nan 8.310 nan 0.000 0.484 739 Y N 3.764 124.100 120.300 0.060 0.000 2.193 739 Y HA -0.182 4.367 4.550 -0.002 0.000 0.285 739 Y C 1.924 177.868 175.900 0.073 0.000 1.166 739 Y CA 1.680 59.820 58.100 0.066 0.000 1.181 739 Y CB 0.013 38.516 38.460 0.072 0.000 0.976 739 Y HN 0.644 nan 8.280 nan 0.000 0.520 740 M N -0.260 119.370 119.600 0.051 0.000 2.556 740 M HA 0.017 4.496 4.480 -0.002 0.000 0.245 740 M C 0.242 176.548 176.300 0.010 0.000 1.128 740 M CA 0.717 56.015 55.300 -0.004 0.000 1.069 740 M CB -0.726 31.996 32.600 0.204 0.000 1.469 740 M HN 0.273 nan 8.290 nan 0.000 0.494 741 N N 1.209 119.916 118.700 0.013 0.000 2.679 741 N HA 0.219 4.958 4.740 -0.002 0.000 0.302 741 N C -2.782 172.721 175.510 -0.012 0.000 1.941 741 N CA -1.856 51.205 53.050 0.018 0.000 0.875 741 N CB 0.962 39.476 38.487 0.044 0.000 1.278 741 N HN -0.053 nan 8.380 nan 0.000 0.490 742 P HA -0.006 nan 4.420 nan 0.000 0.266 742 P C 0.719 178.003 177.300 -0.027 0.000 1.193 742 P CA 0.114 63.185 63.100 -0.048 0.000 0.770 742 P CB 1.244 32.892 31.700 -0.086 0.000 0.836 743 E N 1.883 122.073 120.200 -0.017 0.000 2.107 743 E HA -0.116 4.233 4.350 -0.002 0.000 0.191 743 E C 0.628 177.218 176.600 -0.016 0.000 0.982 743 E CA 1.051 57.444 56.400 -0.011 0.000 0.809 743 E CB 0.154 29.850 29.700 -0.006 0.000 0.756 743 E HN 0.374 nan 8.360 nan 0.000 0.459 744 K N 1.390 121.775 120.400 -0.025 0.000 2.258 744 K HA 0.142 4.461 4.320 -0.002 0.000 0.284 744 K C -0.723 175.854 176.600 -0.038 0.000 1.051 744 K CA -0.034 56.236 56.287 -0.029 0.000 0.923 744 K CB 0.642 33.122 32.500 -0.032 0.000 1.046 744 K HN -0.193 nan 8.250 nan 0.000 0.474 745 K N 2.927 123.307 120.400 -0.033 0.000 2.426 745 K HA 0.354 4.672 4.320 -0.002 0.000 0.251 745 K C -0.929 175.648 176.600 -0.039 0.000 0.941 745 K CA -0.890 55.377 56.287 -0.033 0.000 0.808 745 K CB 1.880 34.370 32.500 -0.017 0.000 1.265 745 K HN 0.599 nan 8.250 nan 0.000 0.432 746 c N 1.391 119.967 118.600 -0.040 0.000 2.466 746 c HA 0.541 5.110 4.570 -0.002 0.000 0.379 746 c C 0.208 174.268 174.090 -0.049 0.000 1.251 746 c CA -0.507 55.786 56.329 -0.060 0.000 2.263 746 c CB 0.057 42.537 42.510 -0.050 0.000 2.511 746 c HN 0.801 nan 8.230 nan 0.000 0.573 747 R N 1.322 121.760 120.500 -0.104 0.000 2.522 747 R HA 0.566 4.905 4.340 -0.002 0.000 0.283 747 R C -0.442 175.711 176.300 -0.245 0.000 1.074 747 R CA -0.336 55.715 56.100 -0.082 0.000 0.925 747 R CB 1.295 31.590 30.300 -0.009 0.000 1.205 747 R HN 0.573 nan 8.270 nan 0.000 0.436 748 V N 4.295 124.074 119.914 -0.225 0.000 3.405 748 V HA 0.581 4.700 4.120 -0.002 0.000 0.211 748 V C -0.348 175.710 176.094 -0.060 0.000 1.151 748 V CA 0.059 62.080 62.300 -0.466 0.000 1.323 748 V CB -0.111 31.337 31.823 -0.625 0.000 1.357 748 V HN 0.652 nan 8.190 nan 0.000 0.506 749 W N 0.000 121.470 121.300 0.283 0.000 2.388 749 W HA 0.000 4.659 4.660 -0.002 0.000 0.303 749 W CA 0.000 57.518 57.345 0.289 0.000 1.226 749 W CB 0.000 29.654 29.460 0.324 0.000 1.126 749 W HN 0.000 nan 8.180 nan 0.000 0.535