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 1y8j_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 3.967 3.960 0.012 0.000 0.244 54 G C 0.000 174.913 174.900 0.022 0.000 0.946 54 G CA 0.000 45.108 45.100 0.014 0.000 0.502 55 I N 1.324 121.912 120.570 0.029 0.000 2.517 55 I HA 0.170 4.347 4.170 0.012 0.000 0.285 55 I C 1.506 177.651 176.117 0.047 0.000 1.106 55 I CA -1.297 60.029 61.300 0.043 0.000 1.402 55 I CB 0.420 38.445 38.000 0.041 0.000 1.399 55 I HN 0.278 nan 8.210 nan 0.000 0.535 56 c N 8.901 127.540 118.600 0.064 0.000 2.538 56 c HA 0.033 4.610 4.570 0.012 0.000 0.408 56 c C 1.428 175.548 174.090 0.049 0.000 1.421 56 c CA -0.139 56.228 56.329 0.063 0.000 1.642 56 c CB -0.940 41.621 42.510 0.085 0.000 2.553 56 c HN 0.886 nan 8.230 nan 0.000 0.604 57 K N 4.302 124.724 120.400 0.038 0.000 2.826 57 K HA 0.171 4.499 4.320 0.012 0.000 0.206 57 K C 0.178 176.792 176.600 0.023 0.000 1.116 57 K CA -0.093 56.212 56.287 0.029 0.000 1.045 57 K CB -0.301 32.214 32.500 0.025 0.000 0.758 57 K HN 0.685 nan 8.250 nan 0.000 0.465 58 S N -0.087 115.627 115.700 0.024 0.000 2.593 58 S HA 0.094 4.572 4.470 0.012 0.000 0.269 58 S C 1.269 175.875 174.600 0.010 0.000 1.334 58 S CA -0.227 57.983 58.200 0.016 0.000 1.015 58 S CB 1.659 64.869 63.200 0.016 0.000 0.912 58 S HN 0.205 nan 8.310 nan 0.000 0.541 59 S N 1.074 116.777 115.700 0.005 0.000 2.368 59 S HA -0.176 4.301 4.470 0.012 0.000 0.226 59 S C 1.474 176.072 174.600 -0.003 0.000 1.044 59 S CA 1.861 60.062 58.200 0.000 0.000 1.062 59 S CB -0.788 62.410 63.200 -0.003 0.000 0.931 59 S HN 0.827 nan 8.310 nan 0.000 0.440 60 D N 0.049 120.445 120.400 -0.007 0.000 2.178 60 D HA -0.043 4.604 4.640 0.012 0.000 0.202 60 D C 2.071 178.363 176.300 -0.012 0.000 0.974 60 D CA 0.776 54.765 54.000 -0.017 0.000 0.841 60 D CB -0.360 40.424 40.800 -0.028 0.000 0.953 60 D HN 0.404 nan 8.370 nan 0.000 0.478 61 c N 0.513 119.114 118.600 0.002 0.000 2.440 61 c HA -0.080 4.497 4.570 0.012 0.000 0.278 61 c C 2.711 176.809 174.090 0.013 0.000 1.295 61 c CA -0.153 56.184 56.329 0.013 0.000 1.738 61 c CB -0.748 41.780 42.510 0.031 0.000 1.987 61 c HN 0.235 nan 8.230 nan 0.000 0.492 62 I N 1.257 121.833 120.570 0.010 0.000 2.226 62 I HA -0.157 4.020 4.170 0.012 0.000 0.245 62 I C 2.338 178.457 176.117 0.003 0.000 1.100 62 I CA 1.611 62.916 61.300 0.009 0.000 1.374 62 I CB -0.534 37.471 38.000 0.008 0.000 1.057 62 I HN 0.287 nan 8.210 nan 0.000 0.413 63 K N -0.411 119.987 120.400 -0.004 0.000 2.002 63 K HA -0.117 4.211 4.320 0.012 0.000 0.209 63 K C 2.377 178.969 176.600 -0.014 0.000 1.048 63 K CA 1.611 57.893 56.287 -0.009 0.000 0.930 63 K CB -0.384 32.107 32.500 -0.014 0.000 0.714 63 K HN 0.112 nan 8.250 nan 0.000 0.438 64 S N 0.456 116.145 115.700 -0.018 0.000 2.359 64 S HA -0.254 4.223 4.470 0.012 0.000 0.222 64 S C 2.058 176.650 174.600 -0.013 0.000 1.038 64 S CA 1.610 59.795 58.200 -0.025 0.000 1.051 64 S CB -0.419 62.764 63.200 -0.028 0.000 0.944 64 S HN 0.477 nan 8.310 nan 0.000 0.433 65 A N 1.171 123.993 122.820 0.003 0.000 1.908 65 A HA 0.010 4.338 4.320 0.012 0.000 0.218 65 A C 2.344 179.931 177.584 0.006 0.000 1.181 65 A CA 2.035 54.081 52.037 0.015 0.000 0.627 65 A CB -1.170 17.847 19.000 0.029 0.000 0.818 65 A HN 0.591 nan 8.150 nan 0.000 0.445 66 A N -0.640 122.180 122.820 0.001 0.000 1.902 66 A HA -0.164 4.163 4.320 0.012 0.000 0.217 66 A C 2.291 179.870 177.584 -0.009 0.000 1.181 66 A CA 1.666 53.702 52.037 -0.003 0.000 0.623 66 A CB -0.514 18.485 19.000 -0.002 0.000 0.818 66 A HN 0.447 nan 8.150 nan 0.000 0.443 67 R N 0.078 120.570 120.500 -0.013 0.000 2.073 67 R HA -0.069 4.278 4.340 0.012 0.000 0.234 67 R C 2.000 178.284 176.300 -0.027 0.000 1.134 67 R CA 1.715 57.804 56.100 -0.018 0.000 0.952 67 R CB -0.718 29.564 30.300 -0.030 0.000 0.850 67 R HN 0.563 nan 8.270 nan 0.000 0.433 68 L N 0.432 121.638 121.223 -0.029 0.000 2.046 68 L HA -0.190 4.157 4.340 0.012 0.000 0.208 68 L C 2.573 179.415 176.870 -0.046 0.000 1.077 68 L CA 1.261 56.080 54.840 -0.035 0.000 0.747 68 L CB -0.389 41.666 42.059 -0.006 0.000 0.896 68 L HN 0.174 nan 8.230 nan 0.000 0.432 69 I N -0.605 119.947 120.570 -0.029 0.000 2.142 69 I HA -0.320 3.857 4.170 0.012 0.000 0.240 69 I C 2.576 178.663 176.117 -0.050 0.000 1.078 69 I CA 1.431 62.709 61.300 -0.037 0.000 1.343 69 I CB -0.349 37.643 38.000 -0.014 0.000 1.046 69 I HN 0.307 nan 8.210 nan 0.000 0.405 70 Q N 0.385 120.166 119.800 -0.032 0.000 2.167 70 Q HA -0.152 4.196 4.340 0.012 0.000 0.202 70 Q C 1.909 177.896 176.000 -0.023 0.000 0.970 70 Q CA 1.136 56.923 55.803 -0.026 0.000 0.855 70 Q CB -0.113 28.618 28.738 -0.012 0.000 0.911 70 Q HN 0.475 nan 8.270 nan 0.000 0.438 71 N N 0.504 119.191 118.700 -0.022 0.000 2.250 71 N HA -0.022 4.726 4.740 0.012 0.000 0.181 71 N C 0.846 176.297 175.510 -0.099 0.000 1.017 71 N CA 0.683 53.731 53.050 -0.003 0.000 0.866 71 N CB -0.021 38.449 38.487 -0.030 0.000 0.985 71 N HN 0.379 nan 8.380 nan 0.000 0.429 72 M N -0.111 119.385 119.600 -0.173 0.000 2.288 72 M HA 0.308 4.795 4.480 0.012 0.000 0.334 72 M C -0.746 175.385 176.300 -0.282 0.000 1.150 72 M CA -0.320 54.787 55.300 -0.322 0.000 1.118 72 M CB 1.208 33.543 32.600 -0.441 0.000 1.501 72 M HN -0.256 nan 8.290 nan 0.000 0.462 73 D N 2.178 122.373 120.400 -0.342 0.000 2.464 73 D HA 0.483 5.130 4.640 0.012 0.000 0.243 73 D C 0.331 176.518 176.300 -0.188 0.000 1.104 73 D CA -0.387 53.492 54.000 -0.202 0.000 0.883 73 D CB 1.365 42.092 40.800 -0.121 0.000 1.050 73 D HN 0.754 nan 8.370 nan 0.000 0.524 74 A N 2.762 125.501 122.820 -0.135 0.000 2.235 74 A HA -0.012 4.315 4.320 0.012 0.000 0.208 74 A C 1.872 179.528 177.584 0.120 0.000 1.172 74 A CA 0.625 52.675 52.037 0.021 0.000 0.786 74 A CB -0.252 18.775 19.000 0.045 0.000 0.804 74 A HN 0.534 nan 8.150 nan 0.000 0.479 75 T N 0.254 114.843 114.554 0.059 0.000 3.007 75 T HA -0.009 4.348 4.350 0.012 0.000 0.270 75 T C 0.693 175.451 174.700 0.097 0.000 1.107 75 T CA 1.386 63.526 62.100 0.066 0.000 1.118 75 T CB -0.188 68.699 68.868 0.031 0.000 0.889 75 T HN 0.425 nan 8.240 nan 0.000 0.506 76 T N 2.343 116.982 114.554 0.142 0.000 2.795 76 T HA 0.305 4.663 4.350 0.012 0.000 0.282 76 T C -0.266 174.560 174.700 0.211 0.000 0.980 76 T CA -0.647 61.546 62.100 0.156 0.000 1.012 76 T CB 1.640 70.587 68.868 0.132 0.000 0.936 76 T HN 0.095 nan 8.240 nan 0.000 0.457 77 E N 5.732 126.003 120.200 0.119 0.000 2.383 77 E HA 0.073 4.430 4.350 0.012 0.000 0.257 77 E C -1.418 175.188 176.600 0.010 0.000 1.079 77 E CA -1.817 54.622 56.400 0.065 0.000 0.934 77 E CB 0.676 30.419 29.700 0.072 0.000 0.978 77 E HN 0.187 nan 8.360 nan 0.000 0.462 78 P HA -0.219 nan 4.420 nan 0.000 0.218 78 P C 0.498 177.861 177.300 0.106 0.000 1.146 78 P CA 1.116 64.042 63.100 -0.290 0.000 0.820 78 P CB 0.137 31.360 31.700 -0.796 0.000 0.778 79 c N -2.008 116.643 118.600 0.085 0.000 2.634 79 c HA 0.094 4.671 4.570 0.012 0.000 0.268 79 c C 2.695 176.902 174.090 0.195 0.000 1.322 79 c CA 0.829 57.255 56.329 0.161 0.000 1.737 79 c CB -1.487 41.092 42.510 0.115 0.000 1.976 79 c HN 0.289 nan 8.230 nan 0.000 0.547 80 T N -0.544 114.112 114.554 0.169 0.000 2.852 80 T HA -0.042 4.315 4.350 0.012 0.000 0.256 80 T C 0.414 175.248 174.700 0.224 0.000 1.038 80 T CA 1.424 63.632 62.100 0.179 0.000 1.141 80 T CB -0.041 68.890 68.868 0.105 0.000 0.869 80 T HN 0.414 nan 8.240 nan 0.000 0.439 81 D N -0.421 120.101 120.400 0.202 0.000 2.337 81 D HA 0.153 4.800 4.640 0.012 0.000 0.238 81 D C -0.285 176.162 176.300 0.244 0.000 1.331 81 D CA -0.522 53.613 54.000 0.224 0.000 0.967 81 D CB 0.150 41.020 40.800 0.117 0.000 1.382 81 D HN 0.013 nan 8.370 nan 0.000 0.549 82 F N 2.766 122.794 119.950 0.129 0.000 2.325 82 F HA 0.046 4.580 4.527 0.012 0.000 0.299 82 F C 1.466 177.375 175.800 0.181 0.000 1.090 82 F CA 0.751 58.822 58.000 0.119 0.000 1.392 82 F CB -0.049 38.946 39.000 -0.008 0.000 1.053 82 F HN 0.403 nan 8.300 nan 0.000 0.521 83 F N 0.803 120.798 119.950 0.074 0.000 2.102 83 F HA -0.175 4.359 4.527 0.012 0.000 0.298 83 F C 2.487 178.247 175.800 -0.068 0.000 1.105 83 F CA 1.796 59.775 58.000 -0.036 0.000 1.239 83 F CB -0.382 38.572 39.000 -0.077 0.000 0.991 83 F HN -0.223 nan 8.300 nan 0.000 0.474 84 K N -0.660 119.727 120.400 -0.022 0.000 2.032 84 K HA -0.289 4.039 4.320 0.012 0.000 0.209 84 K C 2.125 178.633 176.600 -0.153 0.000 1.048 84 K CA 2.058 58.285 56.287 -0.101 0.000 0.927 84 K CB -0.726 31.790 32.500 0.027 0.000 0.712 84 K HN 0.430 nan 8.250 nan 0.000 0.441 85 Y N 0.610 120.765 120.300 -0.242 0.000 2.128 85 Y HA -0.252 4.305 4.550 0.012 0.000 0.284 85 Y C 1.894 177.560 175.900 -0.390 0.000 1.154 85 Y CA 1.893 59.817 58.100 -0.292 0.000 1.149 85 Y CB -0.329 37.921 38.460 -0.350 0.000 0.976 85 Y HN 0.096 nan 8.280 nan 0.000 0.505 86 A N -2.130 120.356 122.820 -0.557 0.000 2.072 86 A HA 0.003 4.330 4.320 0.012 0.000 0.216 86 A C 1.766 179.084 177.584 -0.442 0.000 1.156 86 A CA 1.236 52.928 52.037 -0.576 0.000 0.701 86 A CB -0.874 17.817 19.000 -0.516 0.000 0.816 86 A HN 0.569 nan 8.150 nan 0.000 0.458 87 c N -2.047 116.261 118.600 -0.487 0.000 3.642 87 c HA 0.334 4.911 4.570 0.012 0.000 0.305 87 c C 2.433 176.356 174.090 -0.277 0.000 1.492 87 c CA -0.444 55.609 56.329 -0.459 0.000 1.809 87 c CB -0.377 41.587 42.510 -0.909 0.000 2.639 87 c HN 0.637 nan 8.230 nan 0.000 0.672 88 G N 1.333 109.980 108.800 -0.254 0.000 2.422 88 G HA2 0.001 3.968 3.960 0.012 0.000 0.218 88 G HA3 0.001 3.968 3.960 0.012 0.000 0.218 88 G C 1.683 176.541 174.900 -0.070 0.000 1.146 88 G CA 1.377 46.390 45.100 -0.146 0.000 0.769 88 G HN 0.558 nan 8.290 nan 0.000 0.547 89 G N -0.526 108.231 108.800 -0.071 0.000 2.430 89 G HA2 -0.121 3.846 3.960 0.012 0.000 0.216 89 G HA3 -0.121 3.846 3.960 0.012 0.000 0.216 89 G C 1.499 176.392 174.900 -0.013 0.000 1.146 89 G CA 0.592 45.664 45.100 -0.047 0.000 0.793 89 G HN 0.442 nan 8.290 nan 0.000 0.537 90 W N 0.907 122.129 121.300 -0.129 0.000 2.335 90 W HA -0.090 4.578 4.660 0.012 0.000 0.311 90 W C 2.174 178.658 176.519 -0.058 0.000 1.213 90 W CA 0.853 58.141 57.345 -0.096 0.000 1.274 90 W CB -0.101 29.284 29.460 -0.125 0.000 1.148 90 W HN 0.046 nan 8.180 nan 0.000 0.498 91 L N 1.285 122.663 121.223 0.259 0.000 2.079 91 L HA -0.238 4.109 4.340 0.012 0.000 0.210 91 L C 2.443 179.302 176.870 -0.018 0.000 1.081 91 L CA 1.969 56.921 54.840 0.186 0.000 0.752 91 L CB -1.884 40.264 42.059 0.148 0.000 0.896 91 L HN 0.112 nan 8.230 nan 0.000 0.433 92 K N 0.076 120.444 120.400 -0.053 0.000 2.057 92 K HA -0.143 4.184 4.320 0.012 0.000 0.206 92 K C 2.150 178.671 176.600 -0.132 0.000 1.050 92 K CA 1.167 57.410 56.287 -0.073 0.000 0.935 92 K CB 0.143 32.608 32.500 -0.060 0.000 0.715 92 K HN 0.247 nan 8.250 nan 0.000 0.439 93 R N 0.033 120.404 120.500 -0.214 0.000 2.210 93 R HA 0.118 4.465 4.340 0.012 0.000 0.203 93 R C 0.235 176.353 176.300 -0.304 0.000 1.010 93 R CA 0.105 56.066 56.100 -0.232 0.000 1.008 93 R CB 0.256 30.417 30.300 -0.232 0.000 0.923 93 R HN 0.146 nan 8.270 nan 0.000 0.469 94 N N 0.574 118.992 118.700 -0.469 0.000 2.362 94 N HA 0.239 4.987 4.740 0.012 0.000 0.298 94 N C -1.132 174.209 175.510 -0.282 0.000 1.048 94 N CA -0.209 52.529 53.050 -0.519 0.000 0.858 94 N CB 2.779 40.537 38.487 -1.216 0.000 1.218 94 N HN -0.217 nan 8.380 nan 0.000 0.488 95 V N 2.805 122.617 119.914 -0.171 0.000 2.581 95 V HA 0.426 4.553 4.120 0.012 0.000 0.303 95 V C 0.588 176.620 176.094 -0.105 0.000 1.041 95 V CA -0.898 61.347 62.300 -0.093 0.000 0.907 95 V CB 1.878 33.651 31.823 -0.083 0.000 0.994 95 V HN 0.507 nan 8.190 nan 0.000 0.442 96 I N 5.785 126.339 120.570 -0.028 0.000 2.742 96 I HA 0.076 4.253 4.170 0.012 0.000 0.287 96 I C -1.978 174.014 176.117 -0.209 0.000 1.186 96 I CA -0.997 60.249 61.300 -0.091 0.000 1.417 96 I CB 0.097 38.121 38.000 0.039 0.000 1.377 96 I HN 0.422 nan 8.210 nan 0.000 0.556 97 P HA -0.013 nan 4.420 nan 0.000 0.268 97 P C 0.504 177.703 177.300 -0.168 0.000 1.208 97 P CA -0.137 62.787 63.100 -0.293 0.000 0.777 97 P CB 0.489 31.952 31.700 -0.395 0.000 0.875 98 E N 0.623 120.750 120.200 -0.121 0.000 2.267 98 E HA -0.120 4.237 4.350 0.012 0.000 0.197 98 E C 1.345 177.897 176.600 -0.081 0.000 0.998 98 E CA 1.713 58.065 56.400 -0.080 0.000 0.830 98 E CB -0.798 28.863 29.700 -0.064 0.000 0.751 98 E HN 0.606 nan 8.360 nan 0.000 0.491 99 T N -2.780 111.711 114.554 -0.107 0.000 3.086 99 T HA 0.220 4.577 4.350 0.012 0.000 0.250 99 T C 0.807 175.435 174.700 -0.120 0.000 1.074 99 T CA -0.335 61.699 62.100 -0.110 0.000 0.988 99 T CB 0.348 69.143 68.868 -0.122 0.000 0.988 99 T HN -0.213 nan 8.240 nan 0.000 0.530 100 S N 1.596 117.228 115.700 -0.114 0.000 2.475 100 S HA 0.470 4.947 4.470 0.012 0.000 0.298 100 S C 1.121 175.679 174.600 -0.071 0.000 1.119 100 S CA -0.620 57.524 58.200 -0.092 0.000 1.085 100 S CB 1.723 64.872 63.200 -0.084 0.000 1.028 100 S HN 0.543 nan 8.310 nan 0.000 0.489 101 S N 2.575 118.199 115.700 -0.127 0.000 2.486 101 S HA 0.209 4.686 4.470 0.012 0.000 0.220 101 S C 0.631 175.196 174.600 -0.059 0.000 1.011 101 S CA -0.215 57.910 58.200 -0.125 0.000 0.921 101 S CB 0.168 63.145 63.200 -0.373 0.000 0.785 101 S HN 0.681 nan 8.310 nan 0.000 0.517 102 R N -0.817 119.631 120.500 -0.087 0.000 2.651 102 R HA 0.543 4.891 4.340 0.012 0.000 0.278 102 R C -2.411 173.960 176.300 0.119 0.000 1.010 102 R CA -0.676 55.387 56.100 -0.063 0.000 0.896 102 R CB 1.486 31.638 30.300 -0.245 0.000 1.211 102 R HN 0.237 nan 8.270 nan 0.000 0.456 103 Y N 1.128 121.428 120.300 0.001 0.000 2.553 103 Y HA 0.734 5.292 4.550 0.012 0.000 0.347 103 Y C -0.460 175.510 175.900 0.116 0.000 1.019 103 Y CA 0.200 58.377 58.100 0.128 0.000 1.032 103 Y CB 2.676 41.284 38.460 0.246 0.000 1.284 103 Y HN 0.883 nan 8.280 nan 0.000 0.466 104 G N 2.487 111.102 108.800 -0.308 0.000 2.328 104 G HA2 0.015 3.982 3.960 0.012 0.000 0.299 104 G HA3 0.015 3.982 3.960 0.012 0.000 0.299 104 G C -0.579 174.012 174.900 -0.516 0.000 1.435 104 G CA -0.626 44.110 45.100 -0.607 0.000 0.865 104 G HN 0.657 nan 8.290 nan 0.000 0.601 105 N N -1.033 117.312 118.700 -0.592 0.000 2.149 105 N HA -0.135 4.613 4.740 0.012 0.000 0.188 105 N C 1.881 177.255 175.510 -0.228 0.000 1.019 105 N CA 1.622 54.442 53.050 -0.384 0.000 0.857 105 N CB -0.080 38.150 38.487 -0.429 0.000 0.997 105 N HN 0.394 nan 8.380 nan 0.000 0.426 106 F N 2.082 121.823 119.950 -0.348 0.000 2.113 106 F HA -0.153 4.381 4.527 0.012 0.000 0.297 106 F C 1.942 177.667 175.800 -0.125 0.000 1.103 106 F CA 1.379 59.239 58.000 -0.233 0.000 1.248 106 F CB -0.170 38.651 39.000 -0.299 0.000 0.999 106 F HN 0.002 nan 8.300 nan 0.000 0.475 107 D N 0.499 120.886 120.400 -0.022 0.000 2.144 107 D HA -0.186 4.461 4.640 0.012 0.000 0.199 107 D C 2.511 178.733 176.300 -0.130 0.000 0.984 107 D CA 1.638 55.596 54.000 -0.070 0.000 0.834 107 D CB -0.360 40.453 40.800 0.021 0.000 0.955 107 D HN 0.357 nan 8.370 nan 0.000 0.465 108 I N 1.067 121.513 120.570 -0.206 0.000 2.208 108 I HA -0.260 3.918 4.170 0.012 0.000 0.245 108 I C 2.546 178.615 176.117 -0.081 0.000 1.097 108 I CA 0.666 61.885 61.300 -0.135 0.000 1.363 108 I CB -0.199 37.707 38.000 -0.156 0.000 1.051 108 I HN 0.011 nan 8.210 nan 0.000 0.413 109 L N 0.187 121.330 121.223 -0.132 0.000 2.043 109 L HA -0.270 4.077 4.340 0.012 0.000 0.212 109 L C 2.746 179.543 176.870 -0.121 0.000 1.075 109 L CA 1.727 56.498 54.840 -0.116 0.000 0.752 109 L CB -0.680 41.279 42.059 -0.167 0.000 0.891 109 L HN 0.266 nan 8.230 nan 0.000 0.432 110 R N -0.387 120.002 120.500 -0.186 0.000 2.115 110 R HA -0.134 4.213 4.340 0.012 0.000 0.230 110 R C 1.855 178.120 176.300 -0.059 0.000 1.111 110 R CA 1.188 57.199 56.100 -0.148 0.000 0.976 110 R CB -0.147 30.049 30.300 -0.173 0.000 0.870 110 R HN 0.354 nan 8.270 nan 0.000 0.445 111 D N 0.430 120.818 120.400 -0.019 0.000 2.144 111 D HA -0.126 4.521 4.640 0.012 0.000 0.200 111 D C 1.472 177.822 176.300 0.083 0.000 0.978 111 D CA 1.137 55.159 54.000 0.036 0.000 0.833 111 D CB 0.033 40.886 40.800 0.088 0.000 0.961 111 D HN 0.320 nan 8.370 nan 0.000 0.470 112 E N -0.037 120.201 120.200 0.065 0.000 2.208 112 E HA -0.065 4.292 4.350 0.012 0.000 0.193 112 E C 2.093 178.760 176.600 0.111 0.000 0.988 112 E CA 0.056 56.512 56.400 0.093 0.000 0.828 112 E CB 0.082 29.823 29.700 0.068 0.000 0.763 112 E HN 0.180 nan 8.360 nan 0.000 0.478 113 L N 1.193 122.458 121.223 0.070 0.000 2.109 113 L HA -0.134 4.213 4.340 0.012 0.000 0.207 113 L C 1.937 178.861 176.870 0.090 0.000 1.086 113 L CA 1.397 56.276 54.840 0.066 0.000 0.760 113 L CB 0.089 42.100 42.059 -0.080 0.000 0.910 113 L HN 0.002 nan 8.230 nan 0.000 0.437 114 E N -0.897 119.366 120.200 0.106 0.000 2.110 114 E HA -0.217 4.140 4.350 0.012 0.000 0.193 114 E C 2.183 179.026 176.600 0.404 0.000 0.988 114 E CA 1.510 58.034 56.400 0.207 0.000 0.804 114 E CB -0.116 29.651 29.700 0.112 0.000 0.745 114 E HN 0.373 nan 8.360 nan 0.000 0.458 115 V N 0.697 120.827 119.914 0.359 0.000 2.343 115 V HA -0.243 3.884 4.120 0.012 0.000 0.247 115 V C 2.267 178.410 176.094 0.082 0.000 1.051 115 V CA 1.345 63.784 62.300 0.233 0.000 1.036 115 V CB -0.309 31.614 31.823 0.167 0.000 0.654 115 V HN 0.158 nan 8.190 nan 0.000 0.451 116 V N -0.208 119.781 119.914 0.125 0.000 2.343 116 V HA -0.263 3.864 4.120 0.012 0.000 0.247 116 V C 2.282 178.423 176.094 0.079 0.000 1.051 116 V CA 1.913 64.278 62.300 0.109 0.000 1.036 116 V CB -0.571 31.386 31.823 0.223 0.000 0.654 116 V HN 0.449 nan 8.190 nan 0.000 0.451 117 L N 0.175 121.460 121.223 0.104 0.000 2.056 117 L HA -0.197 4.151 4.340 0.012 0.000 0.207 117 L C 2.629 179.455 176.870 -0.074 0.000 1.078 117 L CA 2.118 56.981 54.840 0.038 0.000 0.749 117 L CB -0.736 41.357 42.059 0.057 0.000 0.901 117 L HN 0.396 nan 8.230 nan 0.000 0.433 118 K N 0.350 120.729 120.400 -0.034 0.000 2.057 118 K HA -0.224 4.103 4.320 0.012 0.000 0.207 118 K C 1.503 177.945 176.600 -0.263 0.000 1.049 118 K CA 1.996 58.162 56.287 -0.202 0.000 0.931 118 K CB -0.092 32.173 32.500 -0.392 0.000 0.714 118 K HN 0.167 nan 8.250 nan 0.000 0.440 119 D N 0.669 120.956 120.400 -0.188 0.000 2.144 119 D HA -0.142 4.505 4.640 0.012 0.000 0.199 119 D C 1.802 178.024 176.300 -0.130 0.000 0.984 119 D CA 1.677 55.587 54.000 -0.149 0.000 0.834 119 D CB 0.048 40.788 40.800 -0.101 0.000 0.955 119 D HN 0.306 nan 8.370 nan 0.000 0.465 120 V N -1.840 118.003 119.914 -0.119 0.000 3.608 120 V HA 0.165 4.292 4.120 0.012 0.000 0.269 120 V C 1.646 177.651 176.094 -0.148 0.000 1.245 120 V CA 0.525 62.764 62.300 -0.102 0.000 1.138 120 V CB -0.409 31.379 31.823 -0.058 0.000 0.841 120 V HN 0.082 nan 8.190 nan 0.000 0.451 121 L N 0.480 121.544 121.223 -0.264 0.000 2.556 121 L HA 0.161 4.508 4.340 0.012 0.000 0.226 121 L C 2.655 179.339 176.870 -0.309 0.000 1.089 121 L CA 0.930 55.550 54.840 -0.367 0.000 0.864 121 L CB -0.007 41.632 42.059 -0.700 0.000 1.067 121 L HN 0.457 nan 8.230 nan 0.000 0.477 122 Q N -0.125 119.530 119.800 -0.242 0.000 2.398 122 Q HA 0.058 4.405 4.340 0.012 0.000 0.204 122 Q C 0.321 176.324 176.000 0.006 0.000 0.932 122 Q CA 0.498 56.276 55.803 -0.042 0.000 0.916 122 Q CB 0.338 29.061 28.738 -0.025 0.000 1.024 122 Q HN 0.359 nan 8.270 nan 0.000 0.504 123 E N 2.299 122.479 120.200 -0.033 0.000 2.145 123 E HA 0.332 4.689 4.350 0.012 0.000 0.262 123 E C -2.516 174.076 176.600 -0.013 0.000 0.883 123 E CA -2.743 53.647 56.400 -0.017 0.000 0.748 123 E CB 1.648 31.330 29.700 -0.031 0.000 1.140 123 E HN 0.104 nan 8.360 nan 0.000 0.417 124 P HA -0.057 nan 4.420 nan 0.000 0.264 124 P C -0.936 176.361 177.300 -0.005 0.000 1.179 124 P CA 0.523 63.625 63.100 0.004 0.000 0.763 124 P CB 0.513 32.221 31.700 0.012 0.000 0.806 125 K N 1.543 121.940 120.400 -0.006 0.000 2.427 125 K HA 0.243 4.570 4.320 0.012 0.000 0.252 125 K C 1.015 177.612 176.600 -0.004 0.000 0.931 125 K CA -0.525 55.758 56.287 -0.008 0.000 0.793 125 K CB 1.630 34.122 32.500 -0.014 0.000 1.211 125 K HN 0.238 nan 8.250 nan 0.000 0.426 126 T N 1.490 116.042 114.554 -0.004 0.000 2.759 126 T HA -0.176 4.181 4.350 0.012 0.000 0.269 126 T C 1.253 175.952 174.700 -0.001 0.000 1.042 126 T CA 1.969 64.069 62.100 -0.001 0.000 1.140 126 T CB -0.017 68.850 68.868 -0.001 0.000 0.864 126 T HN 0.658 nan 8.240 nan 0.000 0.455 127 E N 1.079 121.277 120.200 -0.003 0.000 2.502 127 E HA 0.040 4.397 4.350 0.012 0.000 0.194 127 E C -0.155 176.444 176.600 -0.002 0.000 1.062 127 E CA 0.021 56.419 56.400 -0.002 0.000 0.867 127 E CB -0.440 29.258 29.700 -0.004 0.000 0.888 127 E HN 0.199 nan 8.360 nan 0.000 0.510 128 D N 2.006 122.405 120.400 -0.002 0.000 2.434 128 D HA 0.059 4.706 4.640 0.012 0.000 0.252 128 D C 0.770 177.072 176.300 0.003 0.000 1.185 128 D CA 0.018 54.016 54.000 -0.002 0.000 0.886 128 D CB 0.292 41.091 40.800 -0.002 0.000 1.148 128 D HN 0.413 nan 8.370 nan 0.000 0.483 129 I N -0.624 119.948 120.570 0.005 0.000 3.246 129 I HA -0.057 4.120 4.170 0.012 0.000 0.280 129 I C 1.438 177.562 176.117 0.012 0.000 1.239 129 I CA -0.843 60.463 61.300 0.010 0.000 1.336 129 I CB 0.383 38.393 38.000 0.016 0.000 1.383 129 I HN 0.059 nan 8.210 nan 0.000 0.617 130 V N 2.936 122.859 119.914 0.016 0.000 2.490 130 V HA -0.247 3.880 4.120 0.012 0.000 0.250 130 V C 2.703 178.803 176.094 0.010 0.000 1.061 130 V CA 2.286 64.593 62.300 0.011 0.000 1.064 130 V CB -1.172 30.657 31.823 0.011 0.000 0.670 130 V HN 1.023 nan 8.190 nan 0.000 0.461 131 A N -0.770 122.070 122.820 0.033 0.000 2.019 131 A HA -0.129 4.198 4.320 0.012 0.000 0.219 131 A C 2.328 179.881 177.584 -0.052 0.000 1.164 131 A CA 2.012 54.075 52.037 0.044 0.000 0.644 131 A CB -0.346 18.755 19.000 0.169 0.000 0.805 131 A HN 0.361 nan 8.150 nan 0.000 0.449 132 V N -0.820 119.081 119.914 -0.021 0.000 2.949 132 V HA -0.145 3.982 4.120 0.012 0.000 0.245 132 V C 2.376 178.462 176.094 -0.014 0.000 1.086 132 V CA 1.393 63.675 62.300 -0.031 0.000 1.097 132 V CB -0.416 31.397 31.823 -0.018 0.000 0.762 132 V HN 0.622 nan 8.190 nan 0.000 0.470 133 Q N 0.087 119.888 119.800 0.001 0.000 2.152 133 Q HA -0.249 4.098 4.340 0.012 0.000 0.206 133 Q C 2.179 178.206 176.000 0.044 0.000 0.985 133 Q CA 1.598 57.413 55.803 0.020 0.000 0.863 133 Q CB -0.193 28.556 28.738 0.018 0.000 0.904 133 Q HN 0.582 nan 8.270 nan 0.000 0.422 134 K N 0.352 120.769 120.400 0.028 0.000 2.025 134 K HA -0.068 4.260 4.320 0.012 0.000 0.207 134 K C 2.223 178.916 176.600 0.155 0.000 1.049 134 K CA 1.082 57.428 56.287 0.099 0.000 0.933 134 K CB -0.234 32.247 32.500 -0.032 0.000 0.714 134 K HN 0.144 nan 8.250 nan 0.000 0.438 135 A N 2.513 125.347 122.820 0.023 0.000 1.883 135 A HA -0.213 4.114 4.320 0.012 0.000 0.217 135 A C 2.049 179.677 177.584 0.072 0.000 1.186 135 A CA 1.694 53.736 52.037 0.007 0.000 0.624 135 A CB -0.366 18.593 19.000 -0.068 0.000 0.822 135 A HN 0.223 nan 8.150 nan 0.000 0.444 136 K N -0.453 119.985 120.400 0.063 0.000 2.057 136 K HA -0.028 4.299 4.320 0.012 0.000 0.206 136 K C 2.335 179.028 176.600 0.155 0.000 1.050 136 K CA 1.065 57.414 56.287 0.103 0.000 0.935 136 K CB -0.353 32.178 32.500 0.052 0.000 0.715 136 K HN 0.434 nan 8.250 nan 0.000 0.439 137 A N 1.623 124.516 122.820 0.123 0.000 1.933 137 A HA -0.166 4.161 4.320 0.012 0.000 0.218 137 A C 2.115 179.754 177.584 0.091 0.000 1.175 137 A CA 1.172 53.281 52.037 0.119 0.000 0.628 137 A CB -0.486 18.599 19.000 0.141 0.000 0.814 137 A HN 0.215 nan 8.150 nan 0.000 0.444 138 L N -1.697 119.561 121.223 0.057 0.000 2.027 138 L HA -0.124 4.224 4.340 0.012 0.000 0.206 138 L C 2.261 179.161 176.870 0.049 0.000 1.074 138 L CA 2.279 57.062 54.840 -0.095 0.000 0.745 138 L CB -1.021 40.880 42.059 -0.263 0.000 0.898 138 L HN 0.515 nan 8.230 nan 0.000 0.433 139 Y N 0.637 120.936 120.300 -0.001 0.000 2.069 139 Y HA -0.332 4.225 4.550 0.012 0.000 0.278 139 Y C 2.755 178.647 175.900 -0.013 0.000 1.175 139 Y CA 2.284 60.391 58.100 0.011 0.000 1.134 139 Y CB -0.265 38.208 38.460 0.021 0.000 0.965 139 Y HN 0.161 nan 8.280 nan 0.000 0.498 140 R N -0.477 120.022 120.500 -0.002 0.000 2.096 140 R HA -0.145 4.202 4.340 0.012 0.000 0.235 140 R C 2.653 178.878 176.300 -0.126 0.000 1.127 140 R CA 1.534 57.582 56.100 -0.086 0.000 0.968 140 R CB -0.624 29.694 30.300 0.030 0.000 0.861 140 R HN 0.504 nan 8.270 nan 0.000 0.440 141 S N -0.210 115.453 115.700 -0.062 0.000 2.447 141 S HA -0.159 4.318 4.470 0.012 0.000 0.233 141 S C 2.176 176.679 174.600 -0.161 0.000 1.006 141 S CA 1.149 59.330 58.200 -0.030 0.000 0.957 141 S CB -0.304 62.937 63.200 0.068 0.000 0.773 141 S HN 0.490 nan 8.310 nan 0.000 0.507 142 c N 1.631 120.036 118.600 -0.324 0.000 2.492 142 c HA 0.381 4.958 4.570 0.012 0.000 0.279 142 c C 2.394 176.114 174.090 -0.616 0.000 1.335 142 c CA 0.195 56.068 56.329 -0.760 0.000 1.734 142 c CB -1.276 40.895 42.510 -0.565 0.000 2.027 142 c HN 0.785 nan 8.230 nan 0.000 0.496 143 I N -0.615 119.661 120.570 -0.490 0.000 3.684 143 I HA 0.168 4.345 4.170 0.012 0.000 0.304 143 I C 0.464 176.441 176.117 -0.233 0.000 1.278 143 I CA 0.645 61.725 61.300 -0.367 0.000 1.272 143 I CB -0.767 36.985 38.000 -0.412 0.000 1.029 143 I HN 0.218 nan 8.210 nan 0.000 0.458 144 N N 3.229 121.804 118.700 -0.208 0.000 2.508 144 N HA 0.043 4.790 4.740 0.012 0.000 0.253 144 N C 0.618 176.065 175.510 -0.106 0.000 1.145 144 N CA 0.252 53.229 53.050 -0.122 0.000 0.973 144 N CB 0.564 39.003 38.487 -0.081 0.000 1.305 144 N HN 0.416 nan 8.380 nan 0.000 0.506 145 E N 0.613 120.760 120.200 -0.089 0.000 2.216 145 E HA -0.100 4.258 4.350 0.012 0.000 0.192 145 E C 1.519 178.099 176.600 -0.034 0.000 0.988 145 E CA 0.771 57.131 56.400 -0.068 0.000 0.834 145 E CB 0.262 29.927 29.700 -0.058 0.000 0.772 145 E HN 0.649 nan 8.360 nan 0.000 0.479 146 S N 1.505 117.189 115.700 -0.027 0.000 2.357 146 S HA -0.084 4.394 4.470 0.012 0.000 0.221 146 S C 2.374 176.970 174.600 -0.006 0.000 1.031 146 S CA 0.734 58.926 58.200 -0.013 0.000 0.982 146 S CB -0.341 62.853 63.200 -0.011 0.000 0.853 146 S HN 0.264 nan 8.310 nan 0.000 0.458 147 A N 2.181 124.996 122.820 -0.009 0.000 1.903 147 A HA -0.104 4.223 4.320 0.012 0.000 0.219 147 A C 2.247 179.837 177.584 0.011 0.000 1.191 147 A CA 1.926 53.965 52.037 0.003 0.000 0.638 147 A CB -1.008 17.995 19.000 0.004 0.000 0.823 147 A HN 0.570 nan 8.150 nan 0.000 0.451 148 I N -0.683 119.892 120.570 0.007 0.000 2.286 148 I HA -0.180 3.997 4.170 0.012 0.000 0.245 148 I C 1.829 177.956 176.117 0.018 0.000 1.104 148 I CA 1.330 62.644 61.300 0.024 0.000 1.397 148 I CB -0.331 37.682 38.000 0.021 0.000 1.072 148 I HN 0.222 nan 8.210 nan 0.000 0.417 149 D N 0.335 120.743 120.400 0.013 0.000 2.178 149 D HA -0.134 4.513 4.640 0.012 0.000 0.202 149 D C 2.366 178.679 176.300 0.022 0.000 0.974 149 D CA 1.650 55.664 54.000 0.023 0.000 0.841 149 D CB -0.096 40.713 40.800 0.015 0.000 0.953 149 D HN 0.334 nan 8.370 nan 0.000 0.478 150 S N -0.111 115.596 115.700 0.013 0.000 2.474 150 S HA -0.054 4.423 4.470 0.012 0.000 0.235 150 S C 1.753 176.358 174.600 0.008 0.000 0.997 150 S CA 0.403 58.610 58.200 0.012 0.000 0.949 150 S CB -0.089 63.116 63.200 0.009 0.000 0.766 150 S HN 0.153 nan 8.310 nan 0.000 0.517 151 R N 1.022 121.522 120.500 0.000 0.000 2.317 151 R HA 0.312 4.659 4.340 0.012 0.000 0.208 151 R C 1.848 178.127 176.300 -0.035 0.000 0.914 151 R CA 0.351 56.437 56.100 -0.023 0.000 1.060 151 R CB -0.412 29.864 30.300 -0.040 0.000 1.015 151 R HN 0.526 nan 8.270 nan 0.000 0.498 152 G N 0.438 109.243 108.800 0.008 0.000 2.660 152 G HA2 -0.397 3.571 3.960 0.012 0.000 0.321 152 G HA3 -0.397 3.571 3.960 0.012 0.000 0.321 152 G C 0.736 175.620 174.900 -0.028 0.000 1.246 152 G CA 0.253 45.394 45.100 0.068 0.000 1.000 152 G HN 0.451 nan 8.290 nan 0.000 0.550 153 G N -0.121 108.646 108.800 -0.055 0.000 3.159 153 G HA2 0.402 4.369 3.960 0.012 0.000 0.232 153 G HA3 0.402 4.369 3.960 0.012 0.000 0.232 153 G C 1.117 175.800 174.900 -0.363 0.000 1.116 153 G CA 1.455 46.268 45.100 -0.478 0.000 0.767 153 G HN 0.976 nan 8.290 nan 0.000 0.547 154 E N 2.263 122.341 120.200 -0.202 0.000 2.086 154 E HA -0.145 4.212 4.350 0.012 0.000 0.200 154 E C -0.126 176.329 176.600 -0.241 0.000 1.012 154 E CA 1.844 58.152 56.400 -0.153 0.000 0.812 154 E CB -0.948 28.700 29.700 -0.087 0.000 0.743 154 E HN 0.332 nan 8.360 nan 0.000 0.453 155 P HA -0.148 nan 4.420 nan 0.000 0.218 155 P C 1.427 178.335 177.300 -0.652 0.000 1.146 155 P CA 0.942 63.730 63.100 -0.520 0.000 0.813 155 P CB -0.058 31.142 31.700 -0.832 0.000 0.778 156 L N -1.118 119.679 121.223 -0.709 0.000 2.127 156 L HA -0.027 4.320 4.340 0.012 0.000 0.203 156 L C 2.128 178.888 176.870 -0.183 0.000 1.080 156 L CA 1.407 55.984 54.840 -0.438 0.000 0.768 156 L CB -0.980 40.795 42.059 -0.474 0.000 0.924 156 L HN -0.021 nan 8.230 nan 0.000 0.444 157 L N -0.059 121.074 121.223 -0.151 0.000 2.042 157 L HA -0.263 4.084 4.340 0.012 0.000 0.210 157 L C 2.446 179.317 176.870 0.001 0.000 1.076 157 L CA 1.315 56.135 54.840 -0.033 0.000 0.749 157 L CB -0.613 41.438 42.059 -0.012 0.000 0.893 157 L HN 0.175 nan 8.230 nan 0.000 0.432 158 K N -0.357 120.028 120.400 -0.024 0.000 2.281 158 K HA -0.195 4.133 4.320 0.012 0.000 0.203 158 K C 1.836 178.471 176.600 0.059 0.000 1.046 158 K CA 1.031 57.331 56.287 0.021 0.000 0.938 158 K CB -0.039 32.471 32.500 0.016 0.000 0.737 158 K HN 0.109 nan 8.250 nan 0.000 0.458 159 L N -0.010 121.241 121.223 0.047 0.000 2.316 159 L HA 0.047 4.394 4.340 0.012 0.000 0.207 159 L C 1.494 178.409 176.870 0.075 0.000 1.070 159 L CA 1.114 56.004 54.840 0.083 0.000 0.820 159 L CB -0.526 41.586 42.059 0.090 0.000 0.992 159 L HN 0.014 nan 8.230 nan 0.000 0.466 160 L N 1.132 122.395 121.223 0.066 0.000 1.990 160 L HA -0.139 4.208 4.340 0.012 0.000 0.213 160 L C -0.250 176.701 176.870 0.135 0.000 1.072 160 L CA 2.293 57.194 54.840 0.102 0.000 0.755 160 L CB -2.490 39.651 42.059 0.136 0.000 0.889 160 L HN 0.180 nan 8.230 nan 0.000 0.432 161 P HA -0.159 nan 4.420 nan 0.000 0.220 161 P C 0.944 178.331 177.300 0.145 0.000 1.144 161 P CA 1.471 64.711 63.100 0.234 0.000 0.800 161 P CB 0.057 31.875 31.700 0.196 0.000 0.772 162 D N -0.973 119.485 120.400 0.097 0.000 2.349 162 D HA 0.016 4.663 4.640 0.012 0.000 0.214 162 D C 1.073 177.405 176.300 0.054 0.000 1.063 162 D CA 0.071 54.107 54.000 0.061 0.000 0.847 162 D CB -0.325 40.563 40.800 0.146 0.000 0.933 162 D HN 0.193 nan 8.370 nan 0.000 0.513 163 I N -3.812 116.802 120.570 0.072 0.000 3.856 163 I HA 0.315 4.493 4.170 0.012 0.000 0.330 163 I C -0.476 175.800 176.117 0.265 0.000 1.546 163 I CA -0.607 60.790 61.300 0.161 0.000 1.132 163 I CB -0.287 37.810 38.000 0.163 0.000 1.157 163 I HN -0.163 nan 8.210 nan 0.000 0.440 164 Y N 1.135 121.476 120.300 0.069 0.000 4.786 164 Y HA -0.132 4.424 4.550 0.010 0.000 0.243 164 Y C 1.083 176.780 175.900 -0.338 0.000 1.027 164 Y CA 0.924 58.953 58.100 -0.119 0.000 2.052 164 Y CB -1.630 36.972 38.460 0.236 0.000 1.578 164 Y HN 0.840 nan 8.280 nan 0.000 0.655 165 G N -1.132 107.636 108.800 -0.054 0.000 2.663 165 G HA2 -0.075 3.892 3.960 0.012 0.000 0.686 165 G HA3 -0.075 3.892 3.960 0.012 0.000 0.686 165 G C -1.256 173.835 174.900 0.319 0.000 1.288 165 G CA -0.559 44.607 45.100 0.112 0.000 0.836 165 G HN 0.601 nan 8.290 nan 0.000 0.584 166 W N 3.128 124.479 121.300 0.084 0.000 2.413 166 W HA 0.641 5.307 4.660 0.011 0.000 0.308 166 W C -1.806 174.666 176.519 -0.079 0.000 0.997 166 W CA -2.489 54.847 57.345 -0.014 0.000 1.447 166 W CB 1.277 30.750 29.460 0.022 0.000 1.263 166 W HN 0.428 nan 8.180 nan 0.000 0.416 167 P HA -0.294 nan 4.420 nan 0.000 0.213 167 P C 1.911 178.998 177.300 -0.356 0.000 1.176 167 P CA 2.412 65.256 63.100 -0.426 0.000 0.919 167 P CB -0.091 31.090 31.700 -0.864 0.000 0.791 168 V N -0.576 118.973 119.914 -0.609 0.000 2.613 168 V HA -0.263 3.865 4.120 0.012 0.000 0.259 168 V C 1.536 177.325 176.094 -0.509 0.000 1.099 168 V CA 2.431 64.360 62.300 -0.618 0.000 1.115 168 V CB -1.351 29.948 31.823 -0.872 0.000 0.686 168 V HN 0.169 nan 8.190 nan 0.000 0.481 169 A N -0.951 121.601 122.820 -0.447 0.000 2.637 169 A HA 0.549 4.876 4.320 0.012 0.000 0.293 169 A C 0.573 178.164 177.584 0.011 0.000 1.216 169 A CA 0.403 52.334 52.037 -0.177 0.000 0.956 169 A CB 0.014 18.997 19.000 -0.029 0.000 1.174 169 A HN 0.555 nan 8.150 nan 0.000 0.525 170 T N 0.387 114.955 114.554 0.023 0.000 2.901 170 T HA 0.484 4.841 4.350 0.012 0.000 0.293 170 T C -0.652 174.111 174.700 0.105 0.000 1.084 170 T CA -0.867 61.315 62.100 0.137 0.000 1.008 170 T CB 1.518 70.566 68.868 0.300 0.000 1.170 170 T HN 0.451 nan 8.240 nan 0.000 0.509 171 E N 1.364 121.635 120.200 0.118 0.000 2.283 171 E HA 0.238 4.595 4.350 0.012 0.000 0.278 171 E C -0.540 176.139 176.600 0.132 0.000 1.027 171 E CA -0.902 55.555 56.400 0.095 0.000 0.843 171 E CB 0.311 30.049 29.700 0.063 0.000 1.062 171 E HN 0.588 nan 8.360 nan 0.000 0.401 172 N N 1.766 120.534 118.700 0.114 0.000 2.699 172 N HA -0.235 4.512 4.740 0.012 0.000 0.256 172 N C -0.059 175.555 175.510 0.173 0.000 0.993 172 N CA 0.956 54.073 53.050 0.111 0.000 0.759 172 N CB -1.236 37.279 38.487 0.048 0.000 0.906 172 N HN 0.821 nan 8.380 nan 0.000 0.541 173 W N 0.956 122.309 121.300 0.089 0.000 2.325 173 W HA -0.214 4.458 4.660 0.019 0.000 0.299 173 W C 1.801 178.426 176.519 0.178 0.000 1.215 173 W CA 1.992 59.454 57.345 0.194 0.000 1.244 173 W CB 0.059 29.591 29.460 0.120 0.000 1.140 173 W HN 0.276 nan 8.180 nan 0.000 0.523 174 E N -0.382 119.925 120.200 0.179 0.000 2.072 174 E HA -0.271 4.086 4.350 0.012 0.000 0.191 174 E C 2.162 178.692 176.600 -0.116 0.000 0.985 174 E CA 1.642 58.035 56.400 -0.011 0.000 0.801 174 E CB -0.767 28.988 29.700 0.092 0.000 0.750 174 E HN 0.311 nan 8.360 nan 0.000 0.452 175 Q N 0.780 120.541 119.800 -0.066 0.000 2.050 175 Q HA -0.184 4.164 4.340 0.012 0.000 0.202 175 Q C 1.803 177.701 176.000 -0.170 0.000 0.980 175 Q CA 1.501 57.251 55.803 -0.088 0.000 0.840 175 Q CB 0.059 28.765 28.738 -0.054 0.000 0.898 175 Q HN 0.239 nan 8.270 nan 0.000 0.424 176 K N -1.126 119.122 120.400 -0.254 0.000 2.025 176 K HA -0.136 4.191 4.320 0.012 0.000 0.207 176 K C 1.823 178.048 176.600 -0.626 0.000 1.049 176 K CA 1.544 57.539 56.287 -0.487 0.000 0.933 176 K CB -0.050 32.051 32.500 -0.665 0.000 0.714 176 K HN 0.232 nan 8.250 nan 0.000 0.438 177 Y N -0.537 119.553 120.300 -0.350 0.000 2.576 177 Y HA 0.200 4.755 4.550 0.009 0.000 0.282 177 Y C 2.606 178.357 175.900 -0.247 0.000 1.139 177 Y CA 0.169 58.103 58.100 -0.278 0.000 1.265 177 Y CB -0.858 37.349 38.460 -0.423 0.000 1.376 177 Y HN 0.044 nan 8.280 nan 0.000 0.511 178 G N 1.061 109.619 108.800 -0.403 0.000 2.596 178 G HA2 -0.356 3.611 3.960 0.012 0.000 0.223 178 G HA3 -0.356 3.611 3.960 0.012 0.000 0.223 178 G C 1.770 176.679 174.900 0.015 0.000 1.120 178 G CA 1.533 46.492 45.100 -0.235 0.000 0.752 178 G HN 0.491 nan 8.290 nan 0.000 0.596 179 A N 1.328 124.138 122.820 -0.018 0.000 2.292 179 A HA -0.227 4.100 4.320 0.012 0.000 0.215 179 A C 2.790 180.434 177.584 0.099 0.000 1.339 179 A CA 3.752 55.806 52.037 0.028 0.000 0.895 179 A CB -1.346 17.648 19.000 -0.009 0.000 0.795 179 A HN 1.020 nan 8.150 nan 0.000 0.529 180 S N -2.166 113.613 115.700 0.131 0.000 2.382 180 S HA -0.171 4.307 4.470 0.012 0.000 0.228 180 S C 0.690 175.415 174.600 0.208 0.000 1.027 180 S CA 0.824 59.135 58.200 0.185 0.000 0.991 180 S CB -0.764 62.594 63.200 0.264 0.000 0.823 180 S HN 0.610 nan 8.310 nan 0.000 0.469 181 W N 3.867 125.186 121.300 0.031 0.000 2.480 181 W HA 0.238 4.900 4.660 0.004 0.000 0.337 181 W C 0.535 176.991 176.519 -0.104 0.000 1.201 181 W CA 1.688 58.957 57.345 -0.127 0.000 1.309 181 W CB 0.136 29.541 29.460 -0.091 0.000 1.168 181 W HN 0.416 nan 8.180 nan 0.000 0.566 182 T N 1.480 115.661 114.554 -0.622 0.000 2.792 182 T HA 0.609 4.966 4.350 0.012 0.000 0.303 182 T C 0.336 174.272 174.700 -1.274 0.000 1.310 182 T CA -0.381 61.306 62.100 -0.688 0.000 1.007 182 T CB 1.198 69.940 68.868 -0.211 0.000 1.335 182 T HN 0.673 nan 8.240 nan 0.000 0.504 183 A N 0.362 122.654 122.820 -0.880 0.000 1.929 183 A HA 0.102 4.430 4.320 0.012 0.000 0.216 183 A C 1.941 179.353 177.584 -0.287 0.000 1.176 183 A CA 1.771 53.440 52.037 -0.612 0.000 0.628 183 A CB -1.160 17.785 19.000 -0.092 0.000 0.816 183 A HN 0.948 nan 8.150 nan 0.000 0.444 184 E N 0.405 120.471 120.200 -0.223 0.000 2.068 184 E HA -0.238 4.119 4.350 0.012 0.000 0.207 184 E C 2.017 178.543 176.600 -0.123 0.000 1.032 184 E CA 2.046 58.302 56.400 -0.240 0.000 0.839 184 E CB -0.165 29.296 29.700 -0.399 0.000 0.758 184 E HN 0.531 nan 8.360 nan 0.000 0.457 185 K N -0.484 119.748 120.400 -0.279 0.000 2.103 185 K HA 0.025 4.352 4.320 0.012 0.000 0.204 185 K C 2.094 178.575 176.600 -0.198 0.000 1.052 185 K CA 0.970 57.141 56.287 -0.194 0.000 0.945 185 K CB -0.009 32.359 32.500 -0.219 0.000 0.722 185 K HN 0.133 nan 8.250 nan 0.000 0.443 186 A N 1.263 123.763 122.820 -0.534 0.000 1.898 186 A HA -0.030 4.297 4.320 0.012 0.000 0.214 186 A C 2.054 179.608 177.584 -0.051 0.000 1.183 186 A CA 0.771 52.566 52.037 -0.405 0.000 0.622 186 A CB -0.364 18.175 19.000 -0.768 0.000 0.824 186 A HN 0.116 nan 8.150 nan 0.000 0.444 187 I N -0.002 120.528 120.570 -0.067 0.000 2.286 187 I HA -0.248 3.930 4.170 0.012 0.000 0.248 187 I C 2.865 179.098 176.117 0.194 0.000 1.115 187 I CA 1.028 62.363 61.300 0.059 0.000 1.392 187 I CB -0.228 37.757 38.000 -0.024 0.000 1.065 187 I HN 0.343 nan 8.210 nan 0.000 0.418 188 A N -0.176 122.787 122.820 0.238 0.000 1.968 188 A HA -0.182 4.145 4.320 0.012 0.000 0.217 188 A C 2.301 179.950 177.584 0.109 0.000 1.169 188 A CA 1.114 53.277 52.037 0.210 0.000 0.638 188 A CB -0.347 18.749 19.000 0.160 0.000 0.812 188 A HN 0.318 nan 8.150 nan 0.000 0.446 189 Q N -0.053 119.829 119.800 0.136 0.000 1.993 189 Q HA -0.107 4.240 4.340 0.012 0.000 0.202 189 Q C 2.195 178.266 176.000 0.118 0.000 0.984 189 Q CA 1.533 57.422 55.803 0.142 0.000 0.837 189 Q CB -0.601 28.295 28.738 0.263 0.000 0.902 189 Q HN 0.699 nan 8.270 nan 0.000 0.423 190 L N 1.486 122.790 121.223 0.134 0.000 2.043 190 L HA -0.248 4.099 4.340 0.012 0.000 0.212 190 L C 2.386 179.255 176.870 -0.003 0.000 1.075 190 L CA 1.495 56.366 54.840 0.053 0.000 0.752 190 L CB -0.587 41.469 42.059 -0.005 0.000 0.891 190 L HN 0.339 nan 8.230 nan 0.000 0.432 191 N N -0.311 118.411 118.700 0.036 0.000 2.142 191 N HA -0.167 4.580 4.740 0.012 0.000 0.186 191 N C 1.899 177.395 175.510 -0.023 0.000 1.023 191 N CA 1.954 55.021 53.050 0.028 0.000 0.852 191 N CB 0.089 38.633 38.487 0.095 0.000 0.998 191 N HN 0.404 nan 8.380 nan 0.000 0.424 192 S N -0.976 114.696 115.700 -0.047 0.000 2.456 192 S HA 0.191 4.668 4.470 0.012 0.000 0.224 192 S C 1.918 176.421 174.600 -0.161 0.000 1.035 192 S CA 0.087 58.234 58.200 -0.088 0.000 0.940 192 S CB 0.183 63.334 63.200 -0.082 0.000 0.799 192 S HN 0.170 nan 8.310 nan 0.000 0.508 193 K N -0.365 119.884 120.400 -0.251 0.000 2.128 193 K HA 0.181 4.509 4.320 0.012 0.000 0.202 193 K C 0.513 176.703 176.600 -0.682 0.000 1.050 193 K CA 0.885 56.844 56.287 -0.547 0.000 0.966 193 K CB 0.039 32.047 32.500 -0.821 0.000 0.759 193 K HN 0.496 nan 8.250 nan 0.000 0.454 194 Y N -1.196 119.007 120.300 -0.162 0.000 2.527 194 Y HA 0.256 4.813 4.550 0.011 0.000 0.247 194 Y C 0.977 176.738 175.900 -0.232 0.000 1.138 194 Y CA 0.003 57.949 58.100 -0.257 0.000 1.228 194 Y CB 1.225 39.275 38.460 -0.683 0.000 1.252 194 Y HN 0.172 nan 8.280 nan 0.000 0.531 195 G N 0.948 109.711 108.800 -0.062 0.000 2.187 195 G HA2 -0.352 3.615 3.960 0.012 0.000 0.261 195 G HA3 -0.352 3.615 3.960 0.012 0.000 0.261 195 G C 0.219 175.100 174.900 -0.031 0.000 1.000 195 G CA 0.392 45.474 45.100 -0.030 0.000 0.718 195 G HN 0.156 nan 8.290 nan 0.000 0.519 196 K N 0.717 121.057 120.400 -0.100 0.000 2.258 196 K HA 0.508 4.835 4.320 0.012 0.000 0.284 196 K C 0.039 176.631 176.600 -0.013 0.000 1.051 196 K CA -0.544 55.691 56.287 -0.087 0.000 0.923 196 K CB 0.563 32.912 32.500 -0.252 0.000 1.046 196 K HN 0.016 nan 8.250 nan 0.000 0.474 197 K N 3.819 124.236 120.400 0.028 0.000 2.389 197 K HA 0.305 4.632 4.320 0.012 0.000 0.261 197 K C -0.772 175.867 176.600 0.065 0.000 1.014 197 K CA -0.717 55.610 56.287 0.067 0.000 0.920 197 K CB 0.839 33.388 32.500 0.081 0.000 1.149 197 K HN 0.458 nan 8.250 nan 0.000 0.444 198 V N 0.314 120.270 119.914 0.069 0.000 2.769 198 V HA 0.509 4.636 4.120 0.012 0.000 0.312 198 V C 1.147 177.269 176.094 0.046 0.000 1.061 198 V CA -0.981 61.354 62.300 0.058 0.000 0.931 198 V CB 1.514 33.371 31.823 0.057 0.000 1.010 198 V HN 0.787 nan 8.190 nan 0.000 0.433 199 L N 0.891 122.143 121.223 0.048 0.000 3.412 199 L HA -0.250 4.097 4.340 0.012 0.000 0.253 199 L C 0.315 177.241 176.870 0.093 0.000 4.367 199 L CA 2.251 57.111 54.840 0.033 0.000 0.793 199 L CB -1.228 40.784 42.059 -0.078 0.000 3.488 199 L HN 0.712 nan 8.230 nan 0.000 0.786 200 I N 0.022 120.612 120.570 0.032 0.000 2.533 200 I HA 0.301 4.478 4.170 0.012 0.000 0.290 200 I C -0.189 176.053 176.117 0.209 0.000 1.056 200 I CA -0.381 60.996 61.300 0.128 0.000 1.057 200 I CB 1.811 39.788 38.000 -0.038 0.000 1.240 200 I HN 0.102 nan 8.210 nan 0.000 0.423 201 N N 7.014 125.858 118.700 0.240 0.000 2.500 201 N HA 0.270 5.017 4.740 0.012 0.000 0.236 201 N C -1.236 174.472 175.510 0.330 0.000 1.022 201 N CA -0.293 52.913 53.050 0.260 0.000 0.935 201 N CB 0.758 39.370 38.487 0.207 0.000 1.147 201 N HN 0.484 nan 8.380 nan 0.000 0.512 202 L N 4.377 125.810 121.223 0.350 0.000 2.326 202 L HA 0.503 4.850 4.340 0.012 0.000 0.278 202 L C -0.892 176.121 176.870 0.239 0.000 1.092 202 L CA -0.406 54.578 54.840 0.240 0.000 0.810 202 L CB 0.054 42.181 42.059 0.113 0.000 1.153 202 L HN 0.583 nan 8.230 nan 0.000 0.439 203 F N 3.865 123.864 119.950 0.082 0.000 2.605 203 F HA 0.443 4.977 4.527 0.012 0.000 0.320 203 F C -1.096 174.757 175.800 0.087 0.000 1.159 203 F CA -1.159 56.873 58.000 0.053 0.000 0.999 203 F CB 0.327 39.348 39.000 0.035 0.000 1.258 203 F HN 0.025 nan 8.300 nan 0.000 0.464 204 V N 4.534 124.528 119.914 0.133 0.000 2.529 204 V HA 0.601 4.728 4.120 0.012 0.000 0.292 204 V C 0.712 177.012 176.094 0.344 0.000 1.028 204 V CA 0.847 63.195 62.300 0.079 0.000 1.074 204 V CB 0.102 31.920 31.823 -0.008 0.000 0.958 204 V HN 1.185 nan 8.190 nan 0.000 0.481 205 G N 2.994 112.002 108.800 0.347 0.000 2.766 205 G HA2 0.567 4.534 3.960 0.012 0.000 0.288 205 G HA3 0.567 4.534 3.960 0.012 0.000 0.288 205 G C -0.593 174.629 174.900 0.537 0.000 1.408 205 G CA -0.605 44.845 45.100 0.584 0.000 0.852 205 G HN 0.541 nan 8.290 nan 0.000 0.487 206 T N 0.706 115.548 114.554 0.481 0.000 2.856 206 T HA 0.278 4.636 4.350 0.012 0.000 0.306 206 T C -0.395 174.530 174.700 0.375 0.000 1.062 206 T CA 0.261 62.562 62.100 0.335 0.000 1.083 206 T CB 1.060 70.043 68.868 0.191 0.000 0.984 206 T HN 0.422 nan 8.240 nan 0.000 0.542 207 D N 0.989 121.527 120.400 0.230 0.000 2.317 207 D HA 0.127 4.774 4.640 0.012 0.000 0.234 207 D C 0.511 176.989 176.300 0.298 0.000 1.112 207 D CA -0.579 53.578 54.000 0.262 0.000 0.840 207 D CB 0.972 41.861 40.800 0.149 0.000 1.078 207 D HN 0.334 nan 8.370 nan 0.000 0.486 208 D N 2.931 123.602 120.400 0.452 0.000 2.265 208 D HA -0.148 4.499 4.640 0.012 0.000 0.208 208 D C 1.119 177.492 176.300 0.122 0.000 0.977 208 D CA 1.017 55.266 54.000 0.415 0.000 0.871 208 D CB 0.417 41.531 40.800 0.523 0.000 0.925 208 D HN 0.448 nan 8.370 nan 0.000 0.485 209 K N -0.613 119.766 120.400 -0.035 0.000 2.354 209 K HA 0.060 4.387 4.320 0.012 0.000 0.194 209 K C 0.184 176.768 176.600 -0.026 0.000 1.038 209 K CA -0.097 56.094 56.287 -0.160 0.000 1.052 209 K CB 0.653 32.933 32.500 -0.366 0.000 0.861 209 K HN -0.124 nan 8.250 nan 0.000 0.535 210 N N 0.016 118.737 118.700 0.035 0.000 2.621 210 N HA 0.013 4.760 4.740 0.012 0.000 0.271 210 N C -0.187 175.336 175.510 0.023 0.000 1.181 210 N CA -0.117 52.947 53.050 0.024 0.000 0.805 210 N CB 1.412 39.906 38.487 0.012 0.000 1.351 210 N HN -0.067 nan 8.380 nan 0.000 0.539 211 S N 0.484 116.197 115.700 0.023 0.000 2.603 211 S HA -0.077 4.401 4.470 0.012 0.000 0.229 211 S C 1.608 176.172 174.600 -0.060 0.000 0.972 211 S CA 0.762 58.965 58.200 0.005 0.000 0.935 211 S CB -0.411 62.796 63.200 0.011 0.000 0.769 211 S HN 0.407 nan 8.310 nan 0.000 0.536 212 V N -2.102 117.771 119.914 -0.068 0.000 3.590 212 V HA 0.343 4.470 4.120 0.012 0.000 0.265 212 V C 0.096 176.089 176.094 -0.168 0.000 1.239 212 V CA -0.257 61.981 62.300 -0.103 0.000 1.117 212 V CB -0.668 31.117 31.823 -0.063 0.000 0.818 212 V HN 0.245 nan 8.190 nan 0.000 0.451 213 N N 0.076 118.685 118.700 -0.153 0.000 2.459 213 N HA 0.502 5.249 4.740 0.012 0.000 0.288 213 N C -1.136 174.228 175.510 -0.243 0.000 1.186 213 N CA -0.380 52.572 53.050 -0.164 0.000 0.917 213 N CB 1.180 39.636 38.487 -0.051 0.000 1.219 213 N HN 0.523 nan 8.380 nan 0.000 0.525 214 H N -1.241 117.842 119.070 0.022 0.000 2.499 214 H HA 0.646 5.209 4.556 0.012 0.000 0.340 214 H C -0.386 174.929 175.328 -0.020 0.000 1.148 214 H CA -0.805 55.260 56.048 0.029 0.000 1.215 214 H CB 1.397 31.172 29.762 0.021 0.000 1.529 214 H HN 0.106 nan 8.280 nan 0.000 0.510 215 V N 1.510 121.469 119.914 0.076 0.000 3.141 215 V HA 0.375 4.503 4.120 0.012 0.000 0.312 215 V C 0.048 176.001 176.094 -0.235 0.000 1.157 215 V CA -1.143 61.076 62.300 -0.136 0.000 1.041 215 V CB 2.115 33.755 31.823 -0.305 0.000 1.071 215 V HN 0.590 nan 8.190 nan 0.000 0.441 216 I N 2.045 122.439 120.570 -0.295 0.000 2.441 216 I HA 0.316 4.494 4.170 0.012 0.000 0.287 216 I C 0.041 175.811 176.117 -0.579 0.000 1.049 216 I CA 0.033 61.132 61.300 -0.335 0.000 1.381 216 I CB 0.283 38.156 38.000 -0.212 0.000 1.409 216 I HN 0.601 nan 8.210 nan 0.000 0.523 217 H N 6.717 125.397 119.070 -0.650 0.000 2.499 217 H HA 0.552 5.115 4.556 0.012 0.000 0.340 217 H C -0.559 174.532 175.328 -0.395 0.000 1.148 217 H CA -0.612 54.974 56.048 -0.770 0.000 1.215 217 H CB 2.323 31.128 29.762 -1.595 0.000 1.529 217 H HN 0.282 nan 8.280 nan 0.000 0.510 218 I N 2.412 122.891 120.570 -0.152 0.000 2.436 218 I HA 0.184 4.361 4.170 0.012 0.000 0.289 218 I C -0.252 175.929 176.117 0.106 0.000 1.010 218 I CA -0.428 60.906 61.300 0.056 0.000 1.098 218 I CB 1.870 39.909 38.000 0.065 0.000 1.266 218 I HN 0.513 nan 8.210 nan 0.000 0.434 219 D N 4.021 124.555 120.400 0.224 0.000 2.559 219 D HA 0.262 4.909 4.640 0.012 0.000 0.250 219 D C -0.787 175.585 176.300 0.121 0.000 1.135 219 D CA -0.364 53.777 54.000 0.234 0.000 0.955 219 D CB 2.040 43.066 40.800 0.377 0.000 1.442 219 D HN 0.545 nan 8.370 nan 0.000 0.471 220 Q N 0.820 120.578 119.800 -0.070 0.000 2.392 220 Q HA 0.383 4.730 4.340 0.012 0.000 0.262 220 Q C -2.222 173.638 176.000 -0.234 0.000 1.003 220 Q CA -1.163 54.349 55.803 -0.485 0.000 0.888 220 Q CB 0.692 28.899 28.738 -0.884 0.000 1.260 220 Q HN 0.136 nan 8.270 nan 0.000 0.435 221 P HA 0.192 nan 4.420 nan 0.000 0.278 221 P C -0.831 176.422 177.300 -0.079 0.000 1.258 221 P CA -0.438 62.623 63.100 -0.065 0.000 0.811 221 P CB 0.915 32.615 31.700 -0.001 0.000 1.063 222 R N 0.224 120.711 120.500 -0.022 0.000 2.615 222 R HA 0.434 4.781 4.340 0.012 0.000 0.270 222 R C 0.219 176.532 176.300 0.020 0.000 1.081 222 R CA -0.446 55.652 56.100 -0.004 0.000 1.154 222 R CB 0.046 30.356 30.300 0.016 0.000 1.063 222 R HN 0.431 nan 8.270 nan 0.000 0.519 223 L N -0.720 120.530 121.223 0.046 0.000 2.335 223 L HA 0.414 4.762 4.340 0.012 0.000 0.268 223 L C 1.628 178.577 176.870 0.132 0.000 1.016 223 L CA -0.547 54.354 54.840 0.102 0.000 0.805 223 L CB 1.239 43.387 42.059 0.150 0.000 1.311 223 L HN 0.782 nan 8.230 nan 0.000 0.456 224 G N 0.293 109.217 108.800 0.207 0.000 2.511 224 G HA2 0.124 4.092 3.960 0.012 0.000 0.217 224 G HA3 0.124 4.092 3.960 0.012 0.000 0.217 224 G C 0.437 175.292 174.900 -0.075 0.000 1.133 224 G CA 0.178 45.369 45.100 0.153 0.000 0.792 224 G HN 0.218 nan 8.290 nan 0.000 0.539 225 L N -0.207 120.907 121.223 -0.182 0.000 2.387 225 L HA 0.350 4.697 4.340 0.012 0.000 0.266 225 L C -1.284 175.405 176.870 -0.300 0.000 1.059 225 L CA -1.975 52.621 54.840 -0.406 0.000 0.801 225 L CB 1.854 43.464 42.059 -0.750 0.000 1.223 225 L HN -0.177 nan 8.230 nan 0.000 0.456 226 P HA -0.098 nan 4.420 nan 0.000 0.216 226 P C -0.275 176.953 177.300 -0.121 0.000 1.150 226 P CA 0.920 63.821 63.100 -0.332 0.000 0.837 226 P CB 0.217 31.613 31.700 -0.506 0.000 0.786 227 S N -2.674 112.986 115.700 -0.065 0.000 2.638 227 S HA 0.359 4.837 4.470 0.012 0.000 0.274 227 S C 0.993 175.714 174.600 0.202 0.000 1.157 227 S CA -0.931 57.334 58.200 0.108 0.000 0.826 227 S CB 1.605 64.898 63.200 0.155 0.000 1.139 227 S HN 0.061 nan 8.310 nan 0.000 0.474 228 R N 0.551 121.153 120.500 0.170 0.000 2.152 228 R HA -0.089 4.258 4.340 0.012 0.000 0.232 228 R C 0.476 176.886 176.300 0.184 0.000 1.117 228 R CA 2.103 58.329 56.100 0.210 0.000 0.981 228 R CB -1.191 29.159 30.300 0.082 0.000 0.870 228 R HN 0.686 nan 8.270 nan 0.000 0.451 229 D N 0.585 121.008 120.400 0.039 0.000 2.149 229 D HA -0.179 4.468 4.640 0.012 0.000 0.198 229 D C 1.362 177.315 176.300 -0.579 0.000 0.990 229 D CA 1.247 55.133 54.000 -0.191 0.000 0.839 229 D CB -0.327 40.355 40.800 -0.196 0.000 0.948 229 D HN 0.241 nan 8.370 nan 0.000 0.460 230 Y N -0.373 119.509 120.300 -0.696 0.000 2.256 230 Y HA -0.215 4.342 4.550 0.012 0.000 0.288 230 Y C 1.413 176.964 175.900 -0.583 0.000 1.155 230 Y CA 1.048 58.603 58.100 -0.909 0.000 1.203 230 Y CB -0.482 37.624 38.460 -0.590 0.000 0.980 230 Y HN 0.153 nan 8.280 nan 0.000 0.530 231 Y N -0.245 120.004 120.300 -0.085 0.000 2.578 231 Y HA -0.094 4.463 4.550 0.012 0.000 0.297 231 Y C 1.894 177.791 175.900 -0.005 0.000 1.176 231 Y CA 0.412 58.516 58.100 0.007 0.000 1.315 231 Y CB -0.462 38.018 38.460 0.033 0.000 1.031 231 Y HN 0.228 nan 8.280 nan 0.000 0.524 232 E N -1.055 119.151 120.200 0.010 0.000 2.058 232 E HA -0.236 4.121 4.350 0.012 0.000 0.194 232 E C 1.075 177.724 176.600 0.081 0.000 0.997 232 E CA 1.528 57.953 56.400 0.040 0.000 0.801 232 E CB -0.214 29.501 29.700 0.026 0.000 0.746 232 E HN 0.422 nan 8.360 nan 0.000 0.450 233 c N 0.784 119.431 118.600 0.078 0.000 4.417 233 c HA -0.135 4.442 4.570 0.012 0.000 0.284 233 c C 0.794 174.957 174.090 0.121 0.000 1.379 233 c CA 0.666 57.065 56.329 0.116 0.000 1.918 233 c CB -2.888 39.690 42.510 0.113 0.000 1.280 233 c HN 0.633 nan 8.230 nan 0.000 0.783 234 T N -2.592 112.045 114.554 0.138 0.000 2.927 234 T HA 0.734 5.091 4.350 0.012 0.000 0.286 234 T C 1.085 175.819 174.700 0.056 0.000 1.040 234 T CA 0.551 62.704 62.100 0.089 0.000 1.010 234 T CB 1.752 70.663 68.868 0.071 0.000 1.177 234 T HN 2.139 nan 8.240 nan 0.000 0.546 235 G N 1.468 110.268 108.800 -0.001 0.000 2.672 235 G HA2 -0.345 3.622 3.960 0.012 0.000 0.324 235 G HA3 -0.345 3.622 3.960 0.012 0.000 0.324 235 G C 1.106 175.916 174.900 -0.149 0.000 1.286 235 G CA 0.892 45.951 45.100 -0.068 0.000 1.004 235 G HN 1.776 nan 8.290 nan 0.000 0.548 236 I N -1.983 118.393 120.570 -0.324 0.000 3.083 236 I HA 0.119 4.296 4.170 0.012 0.000 0.273 236 I C 1.924 177.720 176.117 -0.535 0.000 1.297 236 I CA 1.679 62.702 61.300 -0.461 0.000 1.452 236 I CB -0.358 37.264 38.000 -0.629 0.000 1.078 236 I HN 0.384 nan 8.210 nan 0.000 0.484 237 Y N 1.089 121.281 120.300 -0.181 0.000 2.444 237 Y HA 0.234 4.792 4.550 0.013 0.000 0.249 237 Y C 2.337 178.201 175.900 -0.059 0.000 1.134 237 Y CA -0.230 57.741 58.100 -0.215 0.000 1.261 237 Y CB -0.180 38.113 38.460 -0.278 0.000 1.143 237 Y HN 0.072 nan 8.280 nan 0.000 0.523 238 K N 1.013 121.458 120.400 0.074 0.000 2.026 238 K HA -0.248 4.079 4.320 0.012 0.000 0.208 238 K C 2.085 178.745 176.600 0.100 0.000 1.048 238 K CA 1.919 58.257 56.287 0.084 0.000 0.929 238 K CB 0.074 32.603 32.500 0.047 0.000 0.713 238 K HN 0.095 nan 8.250 nan 0.000 0.439 239 E N 0.557 120.803 120.200 0.076 0.000 2.085 239 E HA -0.169 4.188 4.350 0.012 0.000 0.194 239 E C 1.614 178.305 176.600 0.152 0.000 0.994 239 E CA 1.731 58.186 56.400 0.092 0.000 0.801 239 E CB -0.374 29.361 29.700 0.059 0.000 0.743 239 E HN 0.388 nan 8.360 nan 0.000 0.453 240 A N -0.064 122.861 122.820 0.174 0.000 1.883 240 A HA -0.220 4.107 4.320 0.012 0.000 0.217 240 A C 2.649 180.420 177.584 0.311 0.000 1.186 240 A CA 1.642 53.822 52.037 0.238 0.000 0.624 240 A CB -1.132 18.069 19.000 0.335 0.000 0.822 240 A HN 0.508 nan 8.150 nan 0.000 0.444 241 c N -1.199 117.553 118.600 0.254 0.000 2.425 241 c HA -0.053 4.524 4.570 0.012 0.000 0.277 241 c C 3.052 177.308 174.090 0.278 0.000 1.280 241 c CA 1.537 58.023 56.329 0.263 0.000 1.744 241 c CB -1.428 41.189 42.510 0.179 0.000 1.989 241 c HN 0.658 nan 8.230 nan 0.000 0.491 242 T N 0.924 115.606 114.554 0.214 0.000 2.812 242 T HA -0.049 4.308 4.350 0.012 0.000 0.264 242 T C 2.133 176.958 174.700 0.210 0.000 1.042 242 T CA 1.462 63.665 62.100 0.171 0.000 1.140 242 T CB -0.356 68.586 68.868 0.122 0.000 0.870 242 T HN 0.608 nan 8.240 nan 0.000 0.445 243 A N 0.303 123.287 122.820 0.274 0.000 1.972 243 A HA -0.083 4.244 4.320 0.012 0.000 0.219 243 A C 2.041 179.917 177.584 0.485 0.000 1.169 243 A CA 1.313 53.557 52.037 0.344 0.000 0.635 243 A CB -0.968 18.248 19.000 0.359 0.000 0.810 243 A HN 0.678 nan 8.150 nan 0.000 0.446 244 Y N -0.104 120.437 120.300 0.401 0.000 2.163 244 Y HA -0.162 4.396 4.550 0.012 0.000 0.288 244 Y C 2.328 178.286 175.900 0.096 0.000 1.136 244 Y CA 1.718 59.985 58.100 0.279 0.000 1.147 244 Y CB 0.015 38.690 38.460 0.359 0.000 0.987 244 Y HN 0.095 nan 8.280 nan 0.000 0.509 245 V N 0.392 120.318 119.914 0.019 0.000 2.548 245 V HA -0.240 3.888 4.120 0.012 0.000 0.249 245 V C 1.576 177.575 176.094 -0.158 0.000 1.055 245 V CA 1.998 64.175 62.300 -0.205 0.000 1.065 245 V CB -0.553 31.219 31.823 -0.085 0.000 0.681 245 V HN 0.408 nan 8.190 nan 0.000 0.462 246 D N -0.490 119.913 120.400 0.005 0.000 2.178 246 D HA -0.179 4.468 4.640 0.012 0.000 0.201 246 D C 1.803 178.146 176.300 0.072 0.000 0.980 246 D CA 1.274 55.294 54.000 0.035 0.000 0.842 246 D CB -0.174 40.683 40.800 0.096 0.000 0.948 246 D HN 0.538 nan 8.370 nan 0.000 0.472 247 F N 0.251 120.143 119.950 -0.098 0.000 2.149 247 F HA -0.096 4.440 4.527 0.014 0.000 0.294 247 F C 2.259 177.914 175.800 -0.241 0.000 1.095 247 F CA 0.388 58.359 58.000 -0.048 0.000 1.276 247 F CB 0.014 39.035 39.000 0.036 0.000 1.023 247 F HN -0.191 nan 8.300 nan 0.000 0.480 248 M N 0.892 119.903 119.600 -0.982 0.000 2.204 248 M HA -0.362 4.126 4.480 0.012 0.000 0.255 248 M C 2.135 178.125 176.300 -0.517 0.000 1.073 248 M CA 2.311 56.803 55.300 -1.347 0.000 1.084 248 M CB -0.877 30.989 32.600 -1.223 0.000 1.289 248 M HN 0.272 nan 8.290 nan 0.000 0.419 249 I N -0.829 119.542 120.570 -0.332 0.000 2.179 249 I HA -0.284 3.894 4.170 0.012 0.000 0.242 249 I C 2.525 178.586 176.117 -0.092 0.000 1.088 249 I CA 1.279 62.462 61.300 -0.197 0.000 1.357 249 I CB -0.334 37.583 38.000 -0.138 0.000 1.051 249 I HN 0.274 nan 8.210 nan 0.000 0.409 250 S N 0.089 115.782 115.700 -0.013 0.000 2.382 250 S HA -0.122 4.356 4.470 0.012 0.000 0.228 250 S C 2.037 176.690 174.600 0.089 0.000 1.027 250 S CA 1.056 59.292 58.200 0.060 0.000 0.991 250 S CB -0.101 63.189 63.200 0.150 0.000 0.823 250 S HN 0.213 nan 8.310 nan 0.000 0.469 251 V N 1.615 121.612 119.914 0.138 0.000 2.453 251 V HA -0.105 4.023 4.120 0.012 0.000 0.247 251 V C 2.527 178.815 176.094 0.324 0.000 1.048 251 V CA 1.583 64.038 62.300 0.259 0.000 1.049 251 V CB -0.980 31.027 31.823 0.306 0.000 0.672 251 V HN 0.523 nan 8.190 nan 0.000 0.457 252 A N -0.377 122.598 122.820 0.257 0.000 2.015 252 A HA -0.184 4.144 4.320 0.012 0.000 0.219 252 A C 2.369 179.949 177.584 -0.007 0.000 1.163 252 A CA 1.626 53.701 52.037 0.063 0.000 0.646 252 A CB -0.467 18.250 19.000 -0.471 0.000 0.806 252 A HN 0.463 nan 8.150 nan 0.000 0.448 253 R N -0.372 120.120 120.500 -0.013 0.000 2.073 253 R HA 0.009 4.356 4.340 0.012 0.000 0.229 253 R C 1.935 178.236 176.300 0.000 0.000 1.120 253 R CA 1.197 57.282 56.100 -0.024 0.000 0.967 253 R CB -0.355 29.925 30.300 -0.035 0.000 0.862 253 R HN 0.540 nan 8.270 nan 0.000 0.436 254 L N 0.234 121.460 121.223 0.003 0.000 2.012 254 L HA -0.226 4.121 4.340 0.012 0.000 0.210 254 L C 2.354 179.270 176.870 0.076 0.000 1.073 254 L CA 1.414 56.225 54.840 -0.048 0.000 0.748 254 L CB -0.482 41.405 42.059 -0.286 0.000 0.891 254 L HN 0.225 nan 8.230 nan 0.000 0.431 255 I N -0.577 120.104 120.570 0.186 0.000 2.179 255 I HA -0.273 3.904 4.170 0.012 0.000 0.242 255 I C 2.835 179.025 176.117 0.123 0.000 1.088 255 I CA 1.295 62.727 61.300 0.220 0.000 1.357 255 I CB -0.347 37.828 38.000 0.292 0.000 1.051 255 I HN 0.154 nan 8.210 nan 0.000 0.409 256 R N 0.454 120.997 120.500 0.071 0.000 2.091 256 R HA -0.205 4.142 4.340 0.012 0.000 0.238 256 R C 2.316 178.634 176.300 0.031 0.000 1.136 256 R CA 1.507 57.627 56.100 0.032 0.000 0.959 256 R CB -0.487 29.805 30.300 -0.012 0.000 0.856 256 R HN 0.541 nan 8.270 nan 0.000 0.437 257 Q N 0.399 120.214 119.800 0.025 0.000 2.061 257 Q HA -0.208 4.139 4.340 0.012 0.000 0.204 257 Q C 1.979 177.999 176.000 0.034 0.000 0.984 257 Q CA 1.417 57.231 55.803 0.017 0.000 0.846 257 Q CB -0.126 28.612 28.738 0.000 0.000 0.902 257 Q HN 0.447 nan 8.270 nan 0.000 0.421 258 E N 0.364 120.600 120.200 0.059 0.000 2.208 258 E HA -0.148 4.210 4.350 0.012 0.000 0.193 258 E C 1.469 178.106 176.600 0.062 0.000 0.988 258 E CA 0.444 56.887 56.400 0.072 0.000 0.828 258 E CB 0.322 30.099 29.700 0.127 0.000 0.763 258 E HN 0.187 nan 8.360 nan 0.000 0.478 259 E N 0.631 120.869 120.200 0.064 0.000 2.511 259 E HA -0.037 4.321 4.350 0.012 0.000 0.196 259 E C -0.203 176.421 176.600 0.040 0.000 1.066 259 E CA 0.092 56.526 56.400 0.056 0.000 0.871 259 E CB -0.039 29.701 29.700 0.066 0.000 0.863 259 E HN 0.035 nan 8.360 nan 0.000 0.520 260 R N 0.417 120.936 120.500 0.033 0.000 2.711 260 R HA -0.180 4.167 4.340 0.012 0.000 0.253 260 R C -0.610 175.703 176.300 0.021 0.000 0.879 260 R CA 0.396 56.509 56.100 0.022 0.000 0.686 260 R CB -1.615 28.696 30.300 0.018 0.000 1.618 260 R HN 0.116 nan 8.270 nan 0.000 0.525 261 L N 3.156 124.390 121.223 0.018 0.000 2.322 261 L HA 0.689 5.036 4.340 0.012 0.000 0.269 261 L C -1.617 175.252 176.870 -0.001 0.000 1.012 261 L CA -2.386 52.461 54.840 0.011 0.000 0.815 261 L CB 1.533 43.599 42.059 0.012 0.000 1.295 261 L HN 0.225 nan 8.230 nan 0.000 0.438 262 P HA 0.299 nan 4.420 nan 0.000 0.275 262 P C -0.996 176.289 177.300 -0.025 0.000 1.228 262 P CA -0.171 62.921 63.100 -0.014 0.000 0.786 262 P CB 1.423 33.116 31.700 -0.012 0.000 0.927 263 I N 2.414 122.967 120.570 -0.028 0.000 2.410 263 I HA 0.214 4.391 4.170 0.012 0.000 0.286 263 I C -0.448 175.644 176.117 -0.041 0.000 1.009 263 I CA -0.108 61.169 61.300 -0.039 0.000 1.111 263 I CB 1.401 39.379 38.000 -0.035 0.000 1.262 263 I HN 0.215 nan 8.210 nan 0.000 0.443 264 D N 6.243 126.611 120.400 -0.052 0.000 2.464 264 D HA 0.203 4.851 4.640 0.012 0.000 0.243 264 D C 0.893 177.157 176.300 -0.060 0.000 1.104 264 D CA -0.256 53.715 54.000 -0.050 0.000 0.883 264 D CB 1.037 41.808 40.800 -0.048 0.000 1.050 264 D HN 0.356 nan 8.370 nan 0.000 0.524 265 E N 2.349 122.518 120.200 -0.052 0.000 2.097 265 E HA -0.228 4.130 4.350 0.012 0.000 0.196 265 E C 1.231 177.793 176.600 -0.063 0.000 1.000 265 E CA 0.801 57.166 56.400 -0.057 0.000 0.804 265 E CB 0.022 29.696 29.700 -0.043 0.000 0.740 265 E HN 0.640 nan 8.360 nan 0.000 0.454 266 N N 0.371 119.039 118.700 -0.054 0.000 2.166 266 N HA -0.190 4.557 4.740 0.012 0.000 0.186 266 N C 1.943 177.413 175.510 -0.065 0.000 1.019 266 N CA 1.019 54.038 53.050 -0.052 0.000 0.856 266 N CB 0.053 38.516 38.487 -0.040 0.000 0.993 266 N HN 0.092 nan 8.380 nan 0.000 0.426 267 Q N 1.066 120.822 119.800 -0.073 0.000 2.172 267 Q HA 0.052 4.399 4.340 0.012 0.000 0.200 267 Q C 2.059 177.985 176.000 -0.123 0.000 0.964 267 Q CA 0.736 56.486 55.803 -0.089 0.000 0.855 267 Q CB -0.029 28.659 28.738 -0.084 0.000 0.918 267 Q HN 0.348 nan 8.270 nan 0.000 0.444 268 L N -0.322 120.822 121.223 -0.132 0.000 1.970 268 L HA -0.199 4.148 4.340 0.012 0.000 0.212 268 L C 2.410 179.180 176.870 -0.167 0.000 1.071 268 L CA 1.304 56.040 54.840 -0.175 0.000 0.751 268 L CB -0.891 41.073 42.059 -0.158 0.000 0.889 268 L HN 0.344 nan 8.230 nan 0.000 0.432 269 A N -0.216 122.531 122.820 -0.122 0.000 1.908 269 A HA -0.248 4.080 4.320 0.012 0.000 0.218 269 A C 2.192 179.717 177.584 -0.098 0.000 1.181 269 A CA 1.690 53.664 52.037 -0.104 0.000 0.627 269 A CB -0.757 18.201 19.000 -0.070 0.000 0.818 269 A HN 0.324 nan 8.150 nan 0.000 0.445 270 L N -0.030 121.138 121.223 -0.091 0.000 1.997 270 L HA -0.217 4.130 4.340 0.012 0.000 0.216 270 L C 2.212 179.025 176.870 -0.095 0.000 1.074 270 L CA 2.603 57.395 54.840 -0.080 0.000 0.763 270 L CB -0.770 41.243 42.059 -0.076 0.000 0.890 270 L HN 0.556 nan 8.230 nan 0.000 0.434 271 E N -1.980 118.138 120.200 -0.138 0.000 2.122 271 E HA -0.117 4.241 4.350 0.012 0.000 0.190 271 E C 2.077 178.569 176.600 -0.179 0.000 0.977 271 E CA 0.660 56.961 56.400 -0.164 0.000 0.820 271 E CB 0.043 29.606 29.700 -0.229 0.000 0.770 271 E HN 0.355 nan 8.360 nan 0.000 0.462 272 M N 0.829 120.302 119.600 -0.212 0.000 2.319 272 M HA -0.063 4.424 4.480 0.012 0.000 0.265 272 M C 1.567 177.765 176.300 -0.169 0.000 1.068 272 M CA 0.923 56.076 55.300 -0.246 0.000 1.118 272 M CB -0.798 31.615 32.600 -0.312 0.000 1.395 272 M HN 0.034 nan 8.290 nan 0.000 0.435 273 N N 0.464 119.099 118.700 -0.108 0.000 2.188 273 N HA -0.142 4.606 4.740 0.012 0.000 0.184 273 N C 1.685 177.188 175.510 -0.012 0.000 1.018 273 N CA 1.011 54.033 53.050 -0.047 0.000 0.858 273 N CB -0.123 38.348 38.487 -0.026 0.000 0.989 273 N HN 0.229 nan 8.380 nan 0.000 0.426 274 K N 1.014 121.402 120.400 -0.020 0.000 2.097 274 K HA -0.001 4.326 4.320 0.012 0.000 0.206 274 K C 1.854 178.462 176.600 0.012 0.000 1.049 274 K CA 0.566 56.872 56.287 0.032 0.000 0.933 274 K CB -0.256 32.256 32.500 0.020 0.000 0.717 274 K HN -0.107 nan 8.250 nan 0.000 0.442 275 V N 0.663 120.546 119.914 -0.052 0.000 2.343 275 V HA -0.257 3.870 4.120 0.012 0.000 0.247 275 V C 2.286 178.376 176.094 -0.008 0.000 1.051 275 V CA 1.934 64.198 62.300 -0.060 0.000 1.036 275 V CB -0.464 31.306 31.823 -0.088 0.000 0.654 275 V HN 0.425 nan 8.190 nan 0.000 0.451 276 M N 0.526 120.138 119.600 0.019 0.000 2.117 276 M HA -0.140 4.348 4.480 0.012 0.000 0.262 276 M C 1.919 178.303 176.300 0.140 0.000 1.065 276 M CA 1.987 57.368 55.300 0.135 0.000 1.114 276 M CB -0.601 32.076 32.600 0.128 0.000 1.361 276 M HN 0.323 nan 8.290 nan 0.000 0.408 277 E N -0.224 120.035 120.200 0.098 0.000 2.152 277 E HA -0.090 4.267 4.350 0.012 0.000 0.192 277 E C 2.013 178.661 176.600 0.081 0.000 0.983 277 E CA 0.934 57.407 56.400 0.122 0.000 0.818 277 E CB -0.521 29.268 29.700 0.149 0.000 0.758 277 E HN 0.599 nan 8.360 nan 0.000 0.467 278 L N 0.463 121.643 121.223 -0.071 0.000 1.989 278 L HA -0.217 4.130 4.340 0.012 0.000 0.211 278 L C 2.409 179.177 176.870 -0.171 0.000 1.071 278 L CA 2.142 56.758 54.840 -0.374 0.000 0.749 278 L CB -0.285 41.414 42.059 -0.600 0.000 0.890 278 L HN 0.320 nan 8.230 nan 0.000 0.431 279 E N -0.416 119.744 120.200 -0.067 0.000 2.152 279 E HA -0.230 4.127 4.350 0.012 0.000 0.192 279 E C 2.147 178.600 176.600 -0.246 0.000 0.983 279 E CA 0.725 57.070 56.400 -0.091 0.000 0.818 279 E CB 0.183 29.936 29.700 0.089 0.000 0.758 279 E HN 0.369 nan 8.360 nan 0.000 0.467 280 K N 0.538 120.898 120.400 -0.068 0.000 2.020 280 K HA -0.227 4.100 4.320 0.012 0.000 0.212 280 K C 2.078 178.639 176.600 -0.065 0.000 1.050 280 K CA 1.920 58.190 56.287 -0.028 0.000 0.929 280 K CB -0.059 32.521 32.500 0.133 0.000 0.714 280 K HN 0.187 nan 8.250 nan 0.000 0.443 281 E N 0.430 120.621 120.200 -0.014 0.000 2.051 281 E HA -0.192 4.165 4.350 0.012 0.000 0.192 281 E C 2.112 178.705 176.600 -0.012 0.000 0.991 281 E CA 1.213 57.620 56.400 0.013 0.000 0.799 281 E CB -0.172 29.567 29.700 0.066 0.000 0.748 281 E HN 0.311 nan 8.360 nan 0.000 0.449 282 I N 1.258 121.800 120.570 -0.045 0.000 2.264 282 I HA -0.287 3.890 4.170 0.012 0.000 0.248 282 I C 2.564 178.676 176.117 -0.010 0.000 1.111 282 I CA 0.918 62.228 61.300 0.017 0.000 1.382 282 I CB -0.336 37.664 38.000 0.001 0.000 1.060 282 I HN 0.082 nan 8.210 nan 0.000 0.418 283 A N 0.645 123.352 122.820 -0.188 0.000 1.902 283 A HA -0.265 4.062 4.320 0.012 0.000 0.217 283 A C 2.185 179.738 177.584 -0.052 0.000 1.181 283 A CA 2.044 53.945 52.037 -0.228 0.000 0.623 283 A CB -0.907 17.759 19.000 -0.557 0.000 0.818 283 A HN 0.554 nan 8.150 nan 0.000 0.443 284 N N -0.018 118.672 118.700 -0.017 0.000 2.396 284 N HA -0.037 4.710 4.740 0.012 0.000 0.180 284 N C 1.643 177.187 175.510 0.056 0.000 1.028 284 N CA 0.964 54.031 53.050 0.029 0.000 0.893 284 N CB -0.104 38.405 38.487 0.037 0.000 0.967 284 N HN 0.390 nan 8.380 nan 0.000 0.440 285 A N 0.431 123.303 122.820 0.086 0.000 2.081 285 A HA 0.038 4.365 4.320 0.012 0.000 0.214 285 A C 1.071 178.809 177.584 0.257 0.000 1.158 285 A CA 0.519 52.646 52.037 0.149 0.000 0.724 285 A CB -0.551 18.527 19.000 0.131 0.000 0.826 285 A HN 0.465 nan 8.150 nan 0.000 0.463 286 T N -0.858 113.799 114.554 0.172 0.000 2.919 286 T HA 0.549 4.907 4.350 0.012 0.000 0.302 286 T C 0.287 175.012 174.700 0.042 0.000 1.031 286 T CA -0.221 61.907 62.100 0.046 0.000 1.127 286 T CB 1.073 69.884 68.868 -0.095 0.000 0.952 286 T HN 0.694 nan 8.240 nan 0.000 0.540 287 A N 3.080 125.915 122.820 0.024 0.000 2.407 287 A HA 0.390 4.717 4.320 0.012 0.000 0.248 287 A C 0.609 178.196 177.584 0.005 0.000 1.082 287 A CA -0.681 51.372 52.037 0.026 0.000 0.785 287 A CB -0.017 19.000 19.000 0.028 0.000 1.020 287 A HN 0.924 nan 8.150 nan 0.000 0.489 288 K N 2.115 122.523 120.400 0.013 0.000 2.276 288 K HA 0.145 4.472 4.320 0.012 0.000 0.259 288 K C -1.695 174.904 176.600 -0.002 0.000 1.001 288 K CA -1.134 55.158 56.287 0.009 0.000 0.927 288 K CB 0.270 32.779 32.500 0.014 0.000 0.969 288 K HN 0.381 nan 8.250 nan 0.000 0.490 289 P HA -0.191 nan 4.420 nan 0.000 0.216 289 P C 0.184 177.475 177.300 -0.015 0.000 1.153 289 P CA 1.446 64.539 63.100 -0.013 0.000 0.858 289 P CB 0.212 31.909 31.700 -0.005 0.000 0.789 290 E N -0.938 119.256 120.200 -0.009 0.000 2.338 290 E HA -0.120 4.237 4.350 0.012 0.000 0.197 290 E C 0.918 177.510 176.600 -0.013 0.000 1.007 290 E CA 0.865 57.257 56.400 -0.013 0.000 0.849 290 E CB -0.493 29.201 29.700 -0.010 0.000 0.774 290 E HN 0.311 nan 8.360 nan 0.000 0.506 291 D N -0.594 119.802 120.400 -0.007 0.000 2.395 291 D HA 0.117 4.764 4.640 0.012 0.000 0.213 291 D C 0.744 177.040 176.300 -0.006 0.000 1.110 291 D CA 0.130 54.129 54.000 -0.002 0.000 0.835 291 D CB 0.428 41.233 40.800 0.009 0.000 0.965 291 D HN 0.031 nan 8.370 nan 0.000 0.505 292 R N 0.613 121.101 120.500 -0.020 0.000 2.508 292 R HA 0.076 4.423 4.340 0.012 0.000 0.300 292 R C 1.019 177.290 176.300 -0.049 0.000 0.970 292 R CA 0.000 56.077 56.100 -0.039 0.000 1.102 292 R CB 0.390 30.657 30.300 -0.055 0.000 1.246 292 R HN 0.001 nan 8.270 nan 0.000 0.539 293 N N -0.351 118.330 118.700 -0.031 0.000 2.280 293 N HA -0.064 4.683 4.740 0.012 0.000 0.192 293 N C -0.365 175.135 175.510 -0.017 0.000 1.109 293 N CA 0.244 53.279 53.050 -0.026 0.000 0.855 293 N CB 0.368 38.842 38.487 -0.022 0.000 0.974 293 N HN -0.066 nan 8.380 nan 0.000 0.482 294 D N 1.216 121.604 120.400 -0.020 0.000 2.441 294 D HA 0.282 4.929 4.640 0.012 0.000 0.231 294 D C -1.879 174.417 176.300 -0.007 0.000 1.073 294 D CA -2.104 51.883 54.000 -0.022 0.000 0.850 294 D CB 2.212 42.995 40.800 -0.027 0.000 1.062 294 D HN -0.058 nan 8.370 nan 0.000 0.524 295 P HA -0.051 nan 4.420 nan 0.000 0.221 295 P C 1.709 179.030 177.300 0.034 0.000 1.150 295 P CA 0.639 63.762 63.100 0.039 0.000 0.800 295 P CB 0.289 32.028 31.700 0.066 0.000 0.787 296 M N -1.083 118.494 119.600 -0.037 0.000 2.156 296 M HA -0.038 4.449 4.480 0.012 0.000 0.264 296 M C 2.178 178.511 176.300 0.054 0.000 1.067 296 M CA 1.274 56.562 55.300 -0.018 0.000 1.131 296 M CB -1.368 31.187 32.600 -0.075 0.000 1.368 296 M HN -0.014 nan 8.290 nan 0.000 0.416 297 L N -0.341 120.903 121.223 0.036 0.000 2.083 297 L HA -0.216 4.132 4.340 0.012 0.000 0.209 297 L C 2.436 179.368 176.870 0.103 0.000 1.083 297 L CA 1.197 56.070 54.840 0.056 0.000 0.752 297 L CB -0.668 41.408 42.059 0.028 0.000 0.899 297 L HN 0.331 nan 8.230 nan 0.000 0.433 298 L N -1.296 119.998 121.223 0.118 0.000 2.156 298 L HA -0.151 4.197 4.340 0.012 0.000 0.208 298 L C 0.703 177.781 176.870 0.347 0.000 1.095 298 L CA 0.626 55.563 54.840 0.163 0.000 0.770 298 L CB -0.171 41.898 42.059 0.018 0.000 0.914 298 L HN 0.181 nan 8.230 nan 0.000 0.439 299 Y N 2.630 123.052 120.300 0.204 0.000 2.600 299 Y HA 0.180 4.738 4.550 0.013 0.000 0.351 299 Y C -0.264 175.697 175.900 0.101 0.000 1.042 299 Y CA -0.676 57.546 58.100 0.204 0.000 1.333 299 Y CB -0.149 38.401 38.460 0.150 0.000 1.172 299 Y HN 0.091 nan 8.280 nan 0.000 0.517 300 N N 6.722 125.395 118.700 -0.045 0.000 2.524 300 N HA 0.141 4.888 4.740 0.012 0.000 0.261 300 N C -1.276 174.110 175.510 -0.207 0.000 0.998 300 N CA -0.716 52.310 53.050 -0.039 0.000 0.915 300 N CB 1.800 40.306 38.487 0.031 0.000 1.187 300 N HN 0.554 nan 8.380 nan 0.000 0.507 301 K N 3.074 123.362 120.400 -0.187 0.000 2.248 301 K HA 0.409 4.736 4.320 0.012 0.000 0.281 301 K C -0.733 175.797 176.600 -0.116 0.000 1.054 301 K CA -0.130 56.019 56.287 -0.229 0.000 0.903 301 K CB 0.819 33.235 32.500 -0.140 0.000 1.077 301 K HN 0.430 nan 8.250 nan 0.000 0.474 302 M N 2.141 121.656 119.600 -0.141 0.000 2.662 302 M HA 0.220 4.707 4.480 0.012 0.000 0.310 302 M C -0.212 176.023 176.300 -0.108 0.000 1.204 302 M CA -0.801 54.440 55.300 -0.099 0.000 0.891 302 M CB 2.312 34.859 32.600 -0.087 0.000 1.732 302 M HN 0.742 nan 8.290 nan 0.000 0.467 303 T N -0.456 114.049 114.554 -0.082 0.000 2.910 303 T HA 0.287 4.645 4.350 0.012 0.000 0.293 303 T C 1.286 175.932 174.700 -0.089 0.000 1.015 303 T CA -0.780 61.274 62.100 -0.077 0.000 1.094 303 T CB 0.536 69.372 68.868 -0.052 0.000 0.968 303 T HN 0.629 nan 8.240 nan 0.000 0.521 304 L N 1.834 123.011 121.223 -0.077 0.000 2.085 304 L HA -0.279 4.068 4.340 0.012 0.000 0.218 304 L C 3.045 179.887 176.870 -0.047 0.000 1.080 304 L CA 2.391 57.197 54.840 -0.057 0.000 0.776 304 L CB -1.624 40.444 42.059 0.014 0.000 0.891 304 L HN 1.008 nan 8.230 nan 0.000 0.437 305 A N -0.053 122.748 122.820 -0.031 0.000 1.834 305 A HA -0.280 4.048 4.320 0.012 0.000 0.216 305 A C 2.085 179.643 177.584 -0.044 0.000 1.203 305 A CA 1.956 53.980 52.037 -0.020 0.000 0.621 305 A CB -0.778 18.211 19.000 -0.020 0.000 0.841 305 A HN 0.569 nan 8.150 nan 0.000 0.446 306 Q N -0.492 119.271 119.800 -0.062 0.000 2.156 306 Q HA -0.247 4.101 4.340 0.012 0.000 0.211 306 Q C 2.161 178.092 176.000 -0.115 0.000 0.995 306 Q CA 1.893 57.645 55.803 -0.085 0.000 0.877 306 Q CB -0.623 28.068 28.738 -0.078 0.000 0.920 306 Q HN 0.753 nan 8.270 nan 0.000 0.416 307 I N 0.564 121.054 120.570 -0.133 0.000 2.179 307 I HA -0.291 3.886 4.170 0.012 0.000 0.242 307 I C 2.662 178.654 176.117 -0.209 0.000 1.088 307 I CA 1.412 62.584 61.300 -0.212 0.000 1.357 307 I CB -0.219 37.486 38.000 -0.492 0.000 1.051 307 I HN 0.220 nan 8.210 nan 0.000 0.409 308 Q N 1.076 120.817 119.800 -0.098 0.000 2.226 308 Q HA -0.198 4.149 4.340 0.012 0.000 0.204 308 Q C 1.516 177.580 176.000 0.107 0.000 0.975 308 Q CA 1.782 57.673 55.803 0.146 0.000 0.866 308 Q CB -0.087 28.765 28.738 0.190 0.000 0.915 308 Q HN 0.389 nan 8.270 nan 0.000 0.440 309 N N -0.846 117.854 118.700 0.000 0.000 2.282 309 N HA 0.078 4.826 4.740 0.012 0.000 0.185 309 N C 0.190 175.634 175.510 -0.110 0.000 1.099 309 N CA 0.243 53.276 53.050 -0.027 0.000 0.878 309 N CB 0.433 38.898 38.487 -0.036 0.000 0.993 309 N HN 0.168 nan 8.380 nan 0.000 0.481 310 N N -0.852 117.714 118.700 -0.223 0.000 2.227 310 N HA 0.184 4.931 4.740 0.012 0.000 0.196 310 N C -0.905 174.140 175.510 -0.775 0.000 1.142 310 N CA 0.253 52.993 53.050 -0.517 0.000 0.887 310 N CB 0.638 38.702 38.487 -0.705 0.000 1.022 310 N HN 0.017 nan 8.380 nan 0.000 0.500 311 F N 0.611 120.564 119.950 0.004 0.000 2.577 311 F HA 0.256 4.790 4.527 0.011 0.000 0.359 311 F C 0.144 176.096 175.800 0.253 0.000 1.535 311 F CA -1.246 56.794 58.000 0.067 0.000 1.093 311 F CB -0.192 38.795 39.000 -0.023 0.000 1.613 311 F HN -0.246 nan 8.300 nan 0.000 0.558 312 S N 0.997 116.886 115.700 0.315 0.000 2.572 312 S HA 0.680 5.157 4.470 0.012 0.000 0.279 312 S C -0.388 174.366 174.600 0.256 0.000 1.341 312 S CA -0.371 58.017 58.200 0.314 0.000 1.043 312 S CB 1.395 64.702 63.200 0.178 0.000 0.887 312 S HN 0.364 nan 8.310 nan 0.000 0.516 313 L N 1.030 122.380 121.223 0.211 0.000 2.401 313 L HA 0.535 4.882 4.340 0.012 0.000 0.266 313 L C -0.277 176.645 176.870 0.087 0.000 0.991 313 L CA -0.519 54.355 54.840 0.058 0.000 0.818 313 L CB 2.151 44.100 42.059 -0.183 0.000 1.321 313 L HN 0.807 nan 8.230 nan 0.000 0.413 314 E N 3.130 123.364 120.200 0.056 0.000 2.121 314 E HA 0.419 4.777 4.350 0.012 0.000 0.255 314 E C -1.330 175.312 176.600 0.071 0.000 0.906 314 E CA -0.643 55.802 56.400 0.075 0.000 0.745 314 E CB 0.764 30.503 29.700 0.064 0.000 1.155 314 E HN 0.296 nan 8.360 nan 0.000 0.424 315 I N 5.328 125.962 120.570 0.107 0.000 2.321 315 I HA 0.240 4.417 4.170 0.012 0.000 0.291 315 I C 1.177 177.407 176.117 0.188 0.000 0.998 315 I CA -0.188 61.195 61.300 0.139 0.000 1.227 315 I CB 0.244 38.339 38.000 0.160 0.000 1.368 315 I HN 0.891 nan 8.210 nan 0.000 0.466 316 N N 4.626 123.424 118.700 0.163 0.000 1.961 316 N HA -0.202 4.545 4.740 0.012 0.000 0.215 316 N C 0.458 176.034 175.510 0.110 0.000 0.579 316 N CA 1.657 54.796 53.050 0.149 0.000 4.210 316 N CB -0.946 37.691 38.487 0.249 0.000 0.734 316 N HN 1.017 nan 8.380 nan 0.000 0.239 317 G N 0.703 109.574 108.800 0.117 0.000 1.873 317 G HA2 0.346 4.313 3.960 0.012 0.000 0.199 317 G HA3 0.346 4.313 3.960 0.012 0.000 0.199 317 G C -0.574 174.377 174.900 0.085 0.000 1.821 317 G CA 0.280 45.431 45.100 0.086 0.000 0.955 317 G HN 0.405 nan 8.290 nan 0.000 0.616 318 K N 0.141 120.588 120.400 0.078 0.000 2.832 318 K HA 0.395 4.722 4.320 0.012 0.000 0.279 318 K C -1.493 175.143 176.600 0.060 0.000 2.110 318 K CA 0.545 56.873 56.287 0.069 0.000 1.163 318 K CB -0.199 32.352 32.500 0.085 0.000 2.731 318 K HN 0.504 nan 8.250 nan 0.000 0.582 319 P HA 0.300 nan 4.420 nan 0.000 0.340 319 P C -0.721 176.644 177.300 0.109 0.000 1.327 319 P CA -0.388 62.777 63.100 0.108 0.000 0.823 319 P CB 0.164 31.937 31.700 0.122 0.000 1.953 320 F N 0.369 120.293 119.950 -0.043 0.000 2.410 320 F HA 0.366 4.898 4.527 0.009 0.000 0.348 320 F C 0.549 176.282 175.800 -0.112 0.000 1.106 320 F CA -0.261 57.647 58.000 -0.152 0.000 1.163 320 F CB 0.957 39.771 39.000 -0.310 0.000 1.129 320 F HN 0.021 nan 8.300 nan 0.000 0.516 321 S N 6.481 121.825 115.700 -0.594 0.000 2.464 321 S HA 0.109 4.586 4.470 0.012 0.000 0.313 321 S C 0.652 175.031 174.600 -0.369 0.000 1.078 321 S CA -0.626 57.386 58.200 -0.314 0.000 1.096 321 S CB -0.069 63.002 63.200 -0.214 0.000 1.032 321 S HN 0.853 nan 8.310 nan 0.000 0.498 322 W N 3.951 125.233 121.300 -0.030 0.000 2.338 322 W HA -0.130 4.540 4.660 0.017 0.000 0.304 322 W C 1.966 178.533 176.519 0.079 0.000 1.212 322 W CA 0.386 57.831 57.345 0.167 0.000 1.264 322 W CB -0.285 29.317 29.460 0.237 0.000 1.142 322 W HN 0.581 nan 8.180 nan 0.000 0.512 323 L N 1.009 122.371 121.223 0.232 0.000 2.043 323 L HA -0.270 4.077 4.340 0.012 0.000 0.212 323 L C 2.039 178.922 176.870 0.022 0.000 1.075 323 L CA 2.014 56.914 54.840 0.100 0.000 0.752 323 L CB -1.490 40.607 42.059 0.062 0.000 0.891 323 L HN 0.151 nan 8.230 nan 0.000 0.432 324 N N -1.166 117.514 118.700 -0.032 0.000 2.109 324 N HA -0.249 4.498 4.740 0.012 0.000 0.188 324 N C 2.227 177.699 175.510 -0.063 0.000 1.034 324 N CA 1.372 54.374 53.050 -0.080 0.000 0.846 324 N CB -0.277 38.120 38.487 -0.150 0.000 1.010 324 N HN 0.400 nan 8.380 nan 0.000 0.425 325 F N 1.742 121.517 119.950 -0.292 0.000 2.063 325 F HA -0.261 4.273 4.527 0.012 0.000 0.298 325 F C 2.267 178.035 175.800 -0.052 0.000 1.109 325 F CA 1.835 59.704 58.000 -0.218 0.000 1.212 325 F CB -0.509 38.319 39.000 -0.287 0.000 0.973 325 F HN 0.008 nan 8.300 nan 0.000 0.480 326 T N 0.495 114.922 114.554 -0.210 0.000 2.951 326 T HA -0.123 4.234 4.350 0.012 0.000 0.268 326 T C 1.516 176.089 174.700 -0.212 0.000 1.073 326 T CA 1.196 63.108 62.100 -0.312 0.000 1.134 326 T CB -0.267 68.553 68.868 -0.081 0.000 0.884 326 T HN 0.323 nan 8.240 nan 0.000 0.479 327 N N 0.769 119.392 118.700 -0.128 0.000 2.368 327 N HA 0.011 4.758 4.740 0.012 0.000 0.176 327 N C 1.836 177.290 175.510 -0.093 0.000 1.021 327 N CA 0.500 53.494 53.050 -0.094 0.000 0.888 327 N CB 0.004 38.456 38.487 -0.059 0.000 0.995 327 N HN 0.350 nan 8.380 nan 0.000 0.437 328 E N 1.041 121.185 120.200 -0.094 0.000 2.153 328 E HA -0.069 4.288 4.350 0.012 0.000 0.194 328 E C 1.982 178.531 176.600 -0.084 0.000 0.988 328 E CA 0.449 56.810 56.400 -0.064 0.000 0.811 328 E CB 0.096 29.781 29.700 -0.026 0.000 0.746 328 E HN 0.435 nan 8.360 nan 0.000 0.466 329 I N 0.229 120.706 120.570 -0.154 0.000 2.188 329 I HA -0.218 3.959 4.170 0.012 0.000 0.237 329 I C 2.245 178.287 176.117 -0.124 0.000 1.073 329 I CA 0.663 61.870 61.300 -0.155 0.000 1.359 329 I CB -0.209 37.637 38.000 -0.257 0.000 1.083 329 I HN 0.085 nan 8.210 nan 0.000 0.412 330 M N 0.913 120.433 119.600 -0.132 0.000 2.279 330 M HA -0.139 4.348 4.480 0.012 0.000 0.264 330 M C 2.639 178.890 176.300 -0.082 0.000 1.062 330 M CA 1.690 56.928 55.300 -0.104 0.000 1.099 330 M CB -1.562 30.978 32.600 -0.099 0.000 1.394 330 M HN 0.364 nan 8.290 nan 0.000 0.426 331 S N -1.438 114.216 115.700 -0.076 0.000 2.420 331 S HA -0.165 4.313 4.470 0.012 0.000 0.237 331 S C 1.983 176.549 174.600 -0.057 0.000 1.023 331 S CA 1.954 60.119 58.200 -0.058 0.000 0.991 331 S CB -1.060 62.111 63.200 -0.049 0.000 0.792 331 S HN 0.465 nan 8.310 nan 0.000 0.488 332 T N 0.606 115.120 114.554 -0.067 0.000 3.051 332 T HA 0.144 4.501 4.350 0.012 0.000 0.269 332 T C 0.679 175.337 174.700 -0.070 0.000 1.127 332 T CA 0.971 63.031 62.100 -0.068 0.000 1.107 332 T CB -0.197 68.622 68.868 -0.081 0.000 0.898 332 T HN 0.307 nan 8.240 nan 0.000 0.517 333 V N 2.716 122.587 119.914 -0.072 0.000 2.838 333 V HA 0.312 4.440 4.120 0.012 0.000 0.363 333 V C 0.486 176.544 176.094 -0.059 0.000 1.324 333 V CA -0.435 61.822 62.300 -0.071 0.000 1.220 333 V CB -0.338 31.433 31.823 -0.086 0.000 1.328 333 V HN 0.540 nan 8.190 nan 0.000 0.595 334 N N 1.806 120.476 118.700 -0.051 0.000 2.714 334 N HA -0.201 4.546 4.740 0.012 0.000 0.252 334 N C -0.433 175.052 175.510 -0.043 0.000 1.014 334 N CA 0.645 53.670 53.050 -0.042 0.000 0.735 334 N CB -0.413 38.052 38.487 -0.036 0.000 0.924 334 N HN 0.561 nan 8.380 nan 0.000 0.540 335 I N 0.645 121.186 120.570 -0.049 0.000 2.646 335 I HA 0.283 4.460 4.170 0.012 0.000 0.299 335 I C 0.286 176.374 176.117 -0.047 0.000 1.036 335 I CA -0.797 60.475 61.300 -0.047 0.000 1.074 335 I CB 2.128 40.095 38.000 -0.054 0.000 1.258 335 I HN 0.195 nan 8.210 nan 0.000 0.430 336 S N 5.695 121.371 115.700 -0.041 0.000 2.473 336 S HA 0.701 5.178 4.470 0.012 0.000 0.307 336 S C -0.932 173.645 174.600 -0.037 0.000 1.094 336 S CA -0.715 57.462 58.200 -0.037 0.000 1.070 336 S CB 1.843 65.025 63.200 -0.029 0.000 1.019 336 S HN 0.334 nan 8.310 nan 0.000 0.480 337 I N 2.657 123.205 120.570 -0.037 0.000 2.418 337 I HA 0.353 4.530 4.170 0.012 0.000 0.287 337 I C 0.271 176.373 176.117 -0.025 0.000 1.008 337 I CA -0.378 60.900 61.300 -0.037 0.000 1.104 337 I CB 1.400 39.371 38.000 -0.047 0.000 1.264 337 I HN 0.702 nan 8.210 nan 0.000 0.438 338 T N 5.137 119.678 114.554 -0.023 0.000 2.869 338 T HA 0.124 4.481 4.350 0.012 0.000 0.295 338 T C 1.436 176.130 174.700 -0.010 0.000 0.987 338 T CA -0.067 62.023 62.100 -0.015 0.000 1.109 338 T CB 0.217 69.075 68.868 -0.017 0.000 0.932 338 T HN 0.513 nan 8.240 nan 0.000 0.518 339 N N 1.469 120.169 118.700 0.001 0.000 2.573 339 N HA -0.152 4.595 4.740 0.012 0.000 0.196 339 N C 0.951 176.456 175.510 -0.007 0.000 1.064 339 N CA 0.809 53.864 53.050 0.008 0.000 0.922 339 N CB 0.180 38.677 38.487 0.017 0.000 0.947 339 N HN 0.593 nan 8.380 nan 0.000 0.450 340 E N -0.235 119.956 120.200 -0.015 0.000 2.498 340 E HA 0.034 4.391 4.350 0.012 0.000 0.203 340 E C -0.258 176.323 176.600 -0.032 0.000 1.013 340 E CA -0.171 56.216 56.400 -0.022 0.000 0.927 340 E CB 0.472 30.161 29.700 -0.018 0.000 1.012 340 E HN 0.267 nan 8.360 nan 0.000 0.482 341 E N 1.915 122.094 120.200 -0.035 0.000 2.413 341 E HA -0.035 4.322 4.350 0.012 0.000 0.263 341 E C -0.573 175.986 176.600 -0.069 0.000 1.015 341 E CA 0.016 56.386 56.400 -0.050 0.000 0.916 341 E CB 0.444 30.113 29.700 -0.051 0.000 0.947 341 E HN -0.123 nan 8.360 nan 0.000 0.440 342 D N 2.397 122.749 120.400 -0.080 0.000 2.302 342 D HA 0.303 4.950 4.640 0.012 0.000 0.248 342 D C -0.935 175.268 176.300 -0.162 0.000 1.094 342 D CA -0.141 53.795 54.000 -0.106 0.000 0.897 342 D CB 1.278 42.024 40.800 -0.089 0.000 1.200 342 D HN 0.134 nan 8.370 nan 0.000 0.429 343 V N 2.045 121.835 119.914 -0.206 0.000 2.760 343 V HA 0.248 4.376 4.120 0.012 0.000 0.309 343 V C -0.178 175.683 176.094 -0.388 0.000 1.077 343 V CA -0.947 61.178 62.300 -0.292 0.000 0.910 343 V CB 2.316 33.996 31.823 -0.240 0.000 1.008 343 V HN 0.229 nan 8.190 nan 0.000 0.424 344 V N 4.862 124.428 119.914 -0.580 0.000 2.406 344 V HA 0.362 4.489 4.120 0.012 0.000 0.272 344 V C -0.052 175.695 176.094 -0.578 0.000 1.043 344 V CA -0.385 61.487 62.300 -0.713 0.000 0.915 344 V CB 1.599 32.829 31.823 -0.988 0.000 0.988 344 V HN 0.600 nan 8.190 nan 0.000 0.466 345 V N 6.583 126.257 119.914 -0.399 0.000 2.328 345 V HA 0.286 4.413 4.120 0.012 0.000 0.278 345 V C 0.092 176.152 176.094 -0.056 0.000 1.021 345 V CA -0.303 61.856 62.300 -0.235 0.000 0.838 345 V CB 1.169 32.877 31.823 -0.191 0.000 0.999 345 V HN 0.830 nan 8.190 nan 0.000 0.447 346 Y N 3.408 123.698 120.300 -0.016 0.000 2.523 346 Y HA 0.376 4.933 4.550 0.012 0.000 0.279 346 Y C 1.548 177.457 175.900 0.014 0.000 1.139 346 Y CA 0.161 58.281 58.100 0.034 0.000 1.296 346 Y CB 0.380 38.900 38.460 0.099 0.000 1.045 346 Y HN 0.653 nan 8.280 nan 0.000 0.538 347 A N -0.430 122.469 122.820 0.131 0.000 3.045 347 A HA 0.343 4.670 4.320 0.012 0.000 0.244 347 A C -1.758 175.820 177.584 -0.010 0.000 0.917 347 A CA -0.729 51.364 52.037 0.095 0.000 1.075 347 A CB -0.058 19.015 19.000 0.122 0.000 1.202 347 A HN -0.049 nan 8.150 nan 0.000 0.486 348 P HA -0.260 nan 4.420 nan 0.000 0.216 348 P C 1.097 178.351 177.300 -0.077 0.000 1.157 348 P CA 1.731 64.665 63.100 -0.277 0.000 0.880 348 P CB 0.133 31.891 31.700 0.096 0.000 0.791 349 E N -1.073 119.174 120.200 0.079 0.000 2.153 349 E HA -0.215 4.143 4.350 0.012 0.000 0.194 349 E C 2.302 178.965 176.600 0.106 0.000 0.988 349 E CA 0.964 57.436 56.400 0.120 0.000 0.811 349 E CB -1.001 28.765 29.700 0.111 0.000 0.746 349 E HN 0.395 nan 8.360 nan 0.000 0.466 350 Y N 2.048 122.338 120.300 -0.017 0.000 2.242 350 Y HA -0.126 4.432 4.550 0.013 0.000 0.291 350 Y C 2.092 177.978 175.900 -0.023 0.000 1.137 350 Y CA 1.089 59.181 58.100 -0.015 0.000 1.181 350 Y CB -0.106 38.344 38.460 -0.016 0.000 0.989 350 Y HN -0.109 nan 8.280 nan 0.000 0.527 351 L N -0.449 120.661 121.223 -0.188 0.000 1.976 351 L HA -0.244 4.103 4.340 0.012 0.000 0.209 351 L C 2.401 179.231 176.870 -0.066 0.000 1.071 351 L CA 1.876 56.569 54.840 -0.246 0.000 0.746 351 L CB -1.174 40.650 42.059 -0.391 0.000 0.890 351 L HN 0.218 nan 8.230 nan 0.000 0.432 352 T N -0.022 114.603 114.554 0.119 0.000 2.564 352 T HA -0.337 4.020 4.350 0.012 0.000 0.264 352 T C 1.838 176.561 174.700 0.038 0.000 1.100 352 T CA 2.026 64.237 62.100 0.185 0.000 1.171 352 T CB -0.313 68.683 68.868 0.213 0.000 0.863 352 T HN 0.264 nan 8.240 nan 0.000 0.430 353 K N 0.164 120.549 120.400 -0.025 0.000 2.283 353 K HA 0.051 4.378 4.320 0.012 0.000 0.202 353 K C 2.072 178.606 176.600 -0.111 0.000 1.048 353 K CA 0.387 56.647 56.287 -0.045 0.000 0.948 353 K CB -0.220 32.266 32.500 -0.023 0.000 0.742 353 K HN 0.088 nan 8.250 nan 0.000 0.458 354 L N 1.881 122.963 121.223 -0.235 0.000 2.093 354 L HA -0.143 4.204 4.340 0.012 0.000 0.208 354 L C 2.064 178.857 176.870 -0.127 0.000 1.085 354 L CA 1.688 56.360 54.840 -0.280 0.000 0.755 354 L CB -0.580 41.205 42.059 -0.456 0.000 0.904 354 L HN 0.079 nan 8.230 nan 0.000 0.435 355 K N -0.054 120.307 120.400 -0.065 0.000 1.987 355 K HA -0.178 4.149 4.320 0.012 0.000 0.216 355 K C -0.518 176.080 176.600 -0.003 0.000 1.051 355 K CA 2.213 58.491 56.287 -0.016 0.000 0.942 355 K CB -1.110 31.407 32.500 0.029 0.000 0.722 355 K HN 0.258 nan 8.250 nan 0.000 0.444 356 P HA -0.128 nan 4.420 nan 0.000 0.220 356 P C 1.314 178.631 177.300 0.029 0.000 1.148 356 P CA 1.234 64.343 63.100 0.015 0.000 0.803 356 P CB -0.050 31.658 31.700 0.014 0.000 0.782 357 I N -0.829 119.760 120.570 0.032 0.000 2.133 357 I HA -0.197 3.981 4.170 0.012 0.000 0.238 357 I C 2.378 178.591 176.117 0.159 0.000 1.074 357 I CA 1.265 62.621 61.300 0.094 0.000 1.342 357 I CB -1.311 36.716 38.000 0.045 0.000 1.053 357 I HN -0.182 nan 8.210 nan 0.000 0.404 358 L N 0.288 121.555 121.223 0.073 0.000 2.042 358 L HA -0.209 4.138 4.340 0.012 0.000 0.210 358 L C 2.745 179.684 176.870 0.115 0.000 1.076 358 L CA 2.421 57.313 54.840 0.085 0.000 0.749 358 L CB -1.682 40.366 42.059 -0.019 0.000 0.893 358 L HN 0.510 nan 8.230 nan 0.000 0.432 359 T N -3.327 111.265 114.554 0.064 0.000 3.052 359 T HA -0.216 4.141 4.350 0.012 0.000 0.270 359 T C 1.629 176.343 174.700 0.023 0.000 1.147 359 T CA 1.283 63.409 62.100 0.044 0.000 1.089 359 T CB -0.258 68.625 68.868 0.025 0.000 0.875 359 T HN 0.333 nan 8.240 nan 0.000 0.541 360 K N -0.966 119.448 120.400 0.022 0.000 2.355 360 K HA 0.240 4.567 4.320 0.012 0.000 0.198 360 K C -0.648 175.771 176.600 -0.301 0.000 1.039 360 K CA -0.094 56.104 56.287 -0.148 0.000 1.075 360 K CB 0.584 32.948 32.500 -0.228 0.000 0.870 360 K HN 0.416 nan 8.250 nan 0.000 0.540 361 Y N 0.367 120.658 120.300 -0.016 0.000 2.562 361 Y HA 0.154 4.710 4.550 0.010 0.000 0.343 361 Y C 0.610 176.487 175.900 -0.038 0.000 1.025 361 Y CA -1.125 56.958 58.100 -0.028 0.000 1.082 361 Y CB 1.510 39.953 38.460 -0.027 0.000 1.264 361 Y HN -0.110 nan 8.280 nan 0.000 0.478 362 S N 0.333 116.090 115.700 0.095 0.000 2.600 362 S HA 0.334 4.811 4.470 0.012 0.000 0.265 362 S C 1.238 175.793 174.600 -0.075 0.000 1.325 362 S CA -0.263 57.933 58.200 -0.006 0.000 1.002 362 S CB 1.111 64.283 63.200 -0.047 0.000 0.921 362 S HN 0.895 nan 8.310 nan 0.000 0.554 363 A N 1.064 123.764 122.820 -0.201 0.000 1.948 363 A HA -0.181 4.146 4.320 0.012 0.000 0.220 363 A C 2.260 179.453 177.584 -0.651 0.000 1.177 363 A CA 1.876 53.547 52.037 -0.610 0.000 0.636 363 A CB -0.876 17.583 19.000 -0.901 0.000 0.815 363 A HN 0.950 nan 8.150 nan 0.000 0.449 364 R N -0.279 119.930 120.500 -0.485 0.000 2.073 364 R HA -0.161 4.186 4.340 0.012 0.000 0.234 364 R C 1.492 177.513 176.300 -0.465 0.000 1.134 364 R CA 1.881 57.559 56.100 -0.704 0.000 0.952 364 R CB -0.432 29.648 30.300 -0.367 0.000 0.850 364 R HN 0.444 nan 8.270 nan 0.000 0.433 365 D N 0.862 121.126 120.400 -0.226 0.000 2.104 365 D HA -0.188 4.459 4.640 0.012 0.000 0.194 365 D C 2.087 178.311 176.300 -0.127 0.000 0.994 365 D CA 1.409 55.340 54.000 -0.116 0.000 0.830 365 D CB -0.255 40.588 40.800 0.073 0.000 0.959 365 D HN 0.306 nan 8.370 nan 0.000 0.452 366 L N 0.218 121.380 121.223 -0.100 0.000 2.017 366 L HA -0.212 4.136 4.340 0.012 0.000 0.208 366 L C 2.539 179.438 176.870 0.048 0.000 1.073 366 L CA 1.068 55.906 54.840 -0.002 0.000 0.745 366 L CB -0.332 41.807 42.059 0.133 0.000 0.894 366 L HN -0.000 nan 8.230 nan 0.000 0.432 367 Q N 0.144 119.926 119.800 -0.029 0.000 2.245 367 Q HA -0.121 4.227 4.340 0.012 0.000 0.201 367 Q C 1.758 177.793 176.000 0.057 0.000 0.955 367 Q CA 1.395 57.245 55.803 0.078 0.000 0.870 367 Q CB -0.134 28.565 28.738 -0.065 0.000 0.945 367 Q HN 0.441 nan 8.270 nan 0.000 0.461 368 N N -0.939 117.730 118.700 -0.053 0.000 2.142 368 N HA -0.135 4.612 4.740 0.012 0.000 0.186 368 N C 1.412 177.104 175.510 0.303 0.000 1.023 368 N CA 0.924 54.046 53.050 0.120 0.000 0.852 368 N CB -0.009 38.409 38.487 -0.115 0.000 0.998 368 N HN 0.233 nan 8.380 nan 0.000 0.424 369 L N 0.959 122.272 121.223 0.150 0.000 2.027 369 L HA -0.016 4.331 4.340 0.012 0.000 0.206 369 L C 2.036 179.030 176.870 0.207 0.000 1.074 369 L CA 1.487 56.441 54.840 0.190 0.000 0.745 369 L CB -0.543 41.565 42.059 0.082 0.000 0.898 369 L HN 0.185 nan 8.230 nan 0.000 0.433 370 M N -1.100 118.596 119.600 0.159 0.000 2.117 370 M HA -0.198 4.289 4.480 0.012 0.000 0.262 370 M C 2.230 178.601 176.300 0.120 0.000 1.065 370 M CA 1.981 57.364 55.300 0.138 0.000 1.114 370 M CB -0.164 32.533 32.600 0.162 0.000 1.361 370 M HN 0.314 nan 8.290 nan 0.000 0.408 371 S N -0.566 115.208 115.700 0.124 0.000 2.387 371 S HA -0.149 4.328 4.470 0.012 0.000 0.226 371 S C 1.388 175.853 174.600 -0.225 0.000 1.026 371 S CA 0.767 58.963 58.200 -0.006 0.000 0.972 371 S CB -0.444 62.750 63.200 -0.010 0.000 0.814 371 S HN 0.686 nan 8.310 nan 0.000 0.477 372 W N 2.604 123.647 121.300 -0.427 0.000 2.392 372 W HA -0.099 4.567 4.660 0.011 0.000 0.279 372 W C 1.426 177.791 176.519 -0.258 0.000 1.225 372 W CA 0.745 57.774 57.345 -0.525 0.000 1.233 372 W CB -0.100 29.233 29.460 -0.210 0.000 1.122 372 W HN 0.186 nan 8.180 nan 0.000 0.561 373 R N -0.434 119.917 120.500 -0.248 0.000 2.193 373 R HA -0.106 4.241 4.340 0.012 0.000 0.213 373 R C 1.944 178.147 176.300 -0.161 0.000 1.055 373 R CA 0.796 56.740 56.100 -0.260 0.000 0.995 373 R CB -1.188 29.104 30.300 -0.015 0.000 0.893 373 R HN 0.220 nan 8.270 nan 0.000 0.459 374 F N 1.574 121.348 119.950 -0.293 0.000 2.147 374 F HA 0.047 4.580 4.527 0.011 0.000 0.291 374 F C 2.077 177.675 175.800 -0.337 0.000 1.093 374 F CA 0.422 58.270 58.000 -0.254 0.000 1.263 374 F CB -0.517 38.360 39.000 -0.204 0.000 1.036 374 F HN -0.225 nan 8.300 nan 0.000 0.481 375 I N 0.016 120.281 120.570 -0.509 0.000 2.118 375 I HA -0.433 3.744 4.170 0.012 0.000 0.241 375 I C 2.584 178.317 176.117 -0.641 0.000 1.070 375 I CA 1.779 62.702 61.300 -0.628 0.000 1.327 375 I CB -0.894 36.698 38.000 -0.680 0.000 1.034 375 I HN 0.214 nan 8.210 nan 0.000 0.405 376 M N 0.243 119.213 119.600 -1.050 0.000 2.341 376 M HA -0.357 4.130 4.480 0.012 0.000 0.249 376 M C 1.356 177.468 176.300 -0.313 0.000 1.051 376 M CA 2.233 56.966 55.300 -0.946 0.000 1.051 376 M CB -0.673 31.401 32.600 -0.876 0.000 1.335 376 M HN 0.308 nan 8.290 nan 0.000 0.418 377 D N -0.960 119.276 120.400 -0.273 0.000 2.360 377 D HA 0.168 4.815 4.640 0.012 0.000 0.210 377 D C 1.664 177.886 176.300 -0.130 0.000 1.047 377 D CA 0.504 54.438 54.000 -0.110 0.000 0.854 377 D CB 0.203 40.983 40.800 -0.033 0.000 0.936 377 D HN 0.393 nan 8.370 nan 0.000 0.514 378 L N -0.211 120.879 121.223 -0.223 0.000 2.515 378 L HA 0.121 4.468 4.340 0.012 0.000 0.223 378 L C 2.098 178.972 176.870 0.006 0.000 1.079 378 L CA 0.157 54.896 54.840 -0.169 0.000 0.857 378 L CB 0.358 42.240 42.059 -0.295 0.000 1.050 378 L HN -0.107 nan 8.230 nan 0.000 0.476 379 V N -0.226 119.696 119.914 0.013 0.000 2.871 379 V HA -0.151 3.976 4.120 0.012 0.000 0.256 379 V C 2.385 178.574 176.094 0.157 0.000 1.082 379 V CA 1.789 64.152 62.300 0.106 0.000 1.105 379 V CB 0.197 32.169 31.823 0.249 0.000 0.713 379 V HN 0.572 nan 8.190 nan 0.000 0.473 380 S N -1.209 114.567 115.700 0.126 0.000 2.603 380 S HA 0.031 4.508 4.470 0.012 0.000 0.220 380 S C 1.473 176.132 174.600 0.098 0.000 0.967 380 S CA 0.836 59.099 58.200 0.105 0.000 0.920 380 S CB -0.018 63.227 63.200 0.075 0.000 0.773 380 S HN 0.550 nan 8.310 nan 0.000 0.529 381 S N 0.929 116.708 115.700 0.133 0.000 2.557 381 S HA 0.444 4.921 4.470 0.012 0.000 0.223 381 S C 0.431 175.182 174.600 0.251 0.000 0.969 381 S CA -0.444 57.894 58.200 0.230 0.000 0.927 381 S CB -0.080 63.236 63.200 0.193 0.000 0.806 381 S HN 0.425 nan 8.310 nan 0.000 0.489 382 L N 0.810 122.107 121.223 0.122 0.000 2.687 382 L HA 0.476 4.823 4.340 0.012 0.000 0.252 382 L C 1.087 178.007 176.870 0.083 0.000 1.115 382 L CA -0.909 53.935 54.840 0.005 0.000 0.893 382 L CB 0.196 42.114 42.059 -0.235 0.000 1.670 382 L HN 0.155 nan 8.230 nan 0.000 0.531 383 S N -0.546 115.221 115.700 0.111 0.000 2.617 383 S HA 0.051 4.529 4.470 0.012 0.000 0.255 383 S C 0.839 175.529 174.600 0.150 0.000 1.318 383 S CA -0.263 58.014 58.200 0.129 0.000 0.978 383 S CB 0.725 64.013 63.200 0.147 0.000 0.961 383 S HN 0.557 nan 8.310 nan 0.000 0.582 384 R N 0.313 120.866 120.500 0.088 0.000 2.092 384 R HA -0.013 4.334 4.340 0.012 0.000 0.231 384 R C 2.177 178.511 176.300 0.057 0.000 1.119 384 R CA 2.228 58.364 56.100 0.058 0.000 0.970 384 R CB -1.715 28.602 30.300 0.028 0.000 0.864 384 R HN 0.816 nan 8.270 nan 0.000 0.440 385 T N 0.052 114.630 114.554 0.041 0.000 2.788 385 T HA -0.107 4.250 4.350 0.012 0.000 0.268 385 T C 1.189 175.839 174.700 -0.082 0.000 1.044 385 T CA 1.528 63.602 62.100 -0.042 0.000 1.139 385 T CB -0.329 68.473 68.868 -0.110 0.000 0.867 385 T HN 0.233 nan 8.240 nan 0.000 0.454 386 Y N 1.406 121.738 120.300 0.055 0.000 2.220 386 Y HA 0.044 4.601 4.550 0.011 0.000 0.291 386 Y C 2.495 178.456 175.900 0.100 0.000 1.129 386 Y CA 0.721 58.872 58.100 0.086 0.000 1.161 386 Y CB -0.123 38.372 38.460 0.060 0.000 0.997 386 Y HN 0.034 nan 8.280 nan 0.000 0.522 387 K N 0.388 120.913 120.400 0.207 0.000 2.059 387 K HA -0.271 4.056 4.320 0.012 0.000 0.212 387 K C 1.819 178.467 176.600 0.080 0.000 1.050 387 K CA 2.089 58.450 56.287 0.123 0.000 0.927 387 K CB -0.316 32.228 32.500 0.073 0.000 0.714 387 K HN 0.476 nan 8.250 nan 0.000 0.447 388 E N 0.412 120.646 120.200 0.058 0.000 2.204 388 E HA -0.121 4.236 4.350 0.012 0.000 0.194 388 E C 1.942 178.556 176.600 0.024 0.000 0.989 388 E CA 1.306 57.722 56.400 0.025 0.000 0.824 388 E CB 0.019 29.726 29.700 0.011 0.000 0.756 388 E HN 0.327 nan 8.360 nan 0.000 0.477 389 S N 0.378 116.120 115.700 0.070 0.000 2.515 389 S HA -0.071 4.406 4.470 0.012 0.000 0.231 389 S C 1.774 176.331 174.600 -0.071 0.000 0.987 389 S CA 0.424 58.697 58.200 0.121 0.000 0.936 389 S CB 0.038 63.417 63.200 0.298 0.000 0.766 389 S HN 0.109 nan 8.310 nan 0.000 0.528 390 R N 0.964 121.333 120.500 -0.218 0.000 2.275 390 R HA 0.171 4.518 4.340 0.012 0.000 0.199 390 R C 1.370 177.522 176.300 -0.246 0.000 0.989 390 R CA 0.200 55.942 56.100 -0.597 0.000 1.016 390 R CB -0.151 29.985 30.300 -0.273 0.000 0.918 390 R HN 0.369 nan 8.270 nan 0.000 0.473 391 N N 1.145 119.785 118.700 -0.100 0.000 2.018 391 N HA -0.199 4.548 4.740 0.012 0.000 0.196 391 N C 1.523 177.039 175.510 0.010 0.000 1.043 391 N CA 1.982 55.017 53.050 -0.025 0.000 0.856 391 N CB -0.294 38.190 38.487 -0.005 0.000 1.042 391 N HN 0.229 nan 8.380 nan 0.000 0.423 392 A N -0.186 122.653 122.820 0.032 0.000 2.016 392 A HA -0.008 4.319 4.320 0.012 0.000 0.217 392 A C 2.107 179.770 177.584 0.132 0.000 1.162 392 A CA 0.466 52.548 52.037 0.076 0.000 0.662 392 A CB -0.738 18.316 19.000 0.090 0.000 0.812 392 A HN 0.338 nan 8.150 nan 0.000 0.450 393 F N 1.577 121.510 119.950 -0.028 0.000 2.113 393 F HA -0.215 4.320 4.527 0.013 0.000 0.297 393 F C 2.505 178.338 175.800 0.056 0.000 1.103 393 F CA 1.930 59.952 58.000 0.036 0.000 1.248 393 F CB -0.025 38.976 39.000 0.001 0.000 0.999 393 F HN 0.308 nan 8.300 nan 0.000 0.475 394 R N 0.668 121.189 120.500 0.034 0.000 2.115 394 R HA -0.114 4.233 4.340 0.012 0.000 0.226 394 R C 2.122 178.482 176.300 0.099 0.000 1.100 394 R CA 1.664 57.817 56.100 0.089 0.000 0.980 394 R CB -0.708 29.695 30.300 0.172 0.000 0.875 394 R HN 0.253 nan 8.270 nan 0.000 0.445 395 K N 0.944 121.374 120.400 0.050 0.000 2.032 395 K HA -0.103 4.224 4.320 0.012 0.000 0.209 395 K C 2.125 178.732 176.600 0.011 0.000 1.048 395 K CA 1.646 57.959 56.287 0.044 0.000 0.927 395 K CB -0.330 32.191 32.500 0.035 0.000 0.712 395 K HN 0.298 nan 8.250 nan 0.000 0.441 396 A N 0.956 123.760 122.820 -0.026 0.000 1.933 396 A HA -0.101 4.226 4.320 0.012 0.000 0.218 396 A C 2.056 179.570 177.584 -0.115 0.000 1.175 396 A CA 1.439 53.452 52.037 -0.040 0.000 0.628 396 A CB -0.512 18.491 19.000 0.004 0.000 0.814 396 A HN 0.350 nan 8.150 nan 0.000 0.444 397 L N -3.328 117.698 121.223 -0.329 0.000 2.307 397 L HA 0.016 4.363 4.340 0.012 0.000 0.211 397 L C 1.863 178.436 176.870 -0.495 0.000 1.099 397 L CA 0.940 55.437 54.840 -0.572 0.000 0.816 397 L CB -0.212 41.157 42.059 -1.149 0.000 0.952 397 L HN 0.469 nan 8.230 nan 0.000 0.455 398 Y N -0.990 119.324 120.300 0.024 0.000 2.441 398 Y HA 0.333 4.890 4.550 0.012 0.000 0.266 398 Y C 1.812 177.741 175.900 0.048 0.000 1.093 398 Y CA 0.128 58.263 58.100 0.060 0.000 1.246 398 Y CB 0.390 38.825 38.460 -0.042 0.000 1.262 398 Y HN 0.103 nan 8.280 nan 0.000 0.518 399 G N 1.090 109.980 108.800 0.149 0.000 2.184 399 G HA2 -0.307 3.660 3.960 0.012 0.000 0.264 399 G HA3 -0.307 3.660 3.960 0.012 0.000 0.264 399 G C 0.376 175.316 174.900 0.066 0.000 0.975 399 G CA 0.514 45.669 45.100 0.093 0.000 0.642 399 G HN 0.471 nan 8.290 nan 0.000 0.536 400 T N -1.662 112.934 114.554 0.070 0.000 2.910 400 T HA 0.567 4.925 4.350 0.012 0.000 0.293 400 T C 1.340 176.044 174.700 0.008 0.000 1.015 400 T CA 0.824 62.933 62.100 0.016 0.000 1.094 400 T CB 1.671 70.527 68.868 -0.020 0.000 0.968 400 T HN 0.901 nan 8.240 nan 0.000 0.521 401 T N -1.801 112.746 114.554 -0.012 0.000 3.054 401 T HA 0.366 4.723 4.350 0.012 0.000 0.255 401 T C 0.570 175.258 174.700 -0.021 0.000 1.035 401 T CA -0.052 62.042 62.100 -0.011 0.000 0.941 401 T CB 0.027 68.887 68.868 -0.013 0.000 1.026 401 T HN 0.793 nan 8.240 nan 0.000 0.533 402 S N -0.034 115.645 115.700 -0.034 0.000 2.570 402 S HA 0.399 4.877 4.470 0.012 0.000 0.270 402 S C -1.618 172.946 174.600 -0.061 0.000 1.149 402 S CA -0.712 57.462 58.200 -0.042 0.000 0.837 402 S CB 1.819 64.992 63.200 -0.045 0.000 1.124 402 S HN 0.347 nan 8.310 nan 0.000 0.465 403 E N 1.582 121.745 120.200 -0.062 0.000 2.452 403 E HA 0.121 4.478 4.350 0.012 0.000 0.261 403 E C 0.220 176.756 176.600 -0.107 0.000 0.987 403 E CA 0.377 56.727 56.400 -0.083 0.000 0.926 403 E CB 0.594 30.251 29.700 -0.072 0.000 0.934 403 E HN 0.581 nan 8.360 nan 0.000 0.452 404 T N 1.811 116.283 114.554 -0.137 0.000 2.856 404 T HA 0.100 4.457 4.350 0.012 0.000 0.329 404 T C 0.013 174.591 174.700 -0.204 0.000 1.094 404 T CA -0.090 61.904 62.100 -0.177 0.000 1.112 404 T CB 0.343 69.089 68.868 -0.203 0.000 1.009 404 T HN 0.523 nan 8.240 nan 0.000 0.550 405 A N 3.628 126.281 122.820 -0.279 0.000 2.561 405 A HA 0.198 4.525 4.320 0.012 0.000 0.234 405 A C 1.721 179.111 177.584 -0.324 0.000 1.055 405 A CA 0.362 52.212 52.037 -0.312 0.000 0.756 405 A CB -0.226 18.474 19.000 -0.499 0.000 0.986 405 A HN 1.011 nan 8.150 nan 0.000 0.505 406 T N 2.405 116.855 114.554 -0.173 0.000 2.788 406 T HA -0.158 4.199 4.350 0.012 0.000 0.268 406 T C 1.634 176.281 174.700 -0.088 0.000 1.044 406 T CA 1.858 63.879 62.100 -0.132 0.000 1.139 406 T CB -0.275 68.538 68.868 -0.091 0.000 0.867 406 T HN 0.924 nan 8.240 nan 0.000 0.454 407 W N 2.281 123.555 121.300 -0.044 0.000 2.363 407 W HA -0.074 4.593 4.660 0.012 0.000 0.296 407 W C 1.748 178.330 176.519 0.104 0.000 1.212 407 W CA 0.465 57.831 57.345 0.035 0.000 1.260 407 W CB -0.756 28.762 29.460 0.096 0.000 1.131 407 W HN 0.203 nan 8.180 nan 0.000 0.530 408 R N 0.638 120.730 120.500 -0.680 0.000 2.062 408 R HA -0.033 4.314 4.340 0.012 0.000 0.229 408 R C 2.609 178.785 176.300 -0.206 0.000 1.128 408 R CA 1.510 57.226 56.100 -0.640 0.000 0.960 408 R CB -0.484 29.266 30.300 -0.917 0.000 0.855 408 R HN 0.106 nan 8.270 nan 0.000 0.432 409 R N -0.059 120.326 120.500 -0.191 0.000 2.091 409 R HA -0.136 4.211 4.340 0.012 0.000 0.238 409 R C 2.350 178.663 176.300 0.021 0.000 1.136 409 R CA 1.661 57.710 56.100 -0.086 0.000 0.959 409 R CB -0.310 29.924 30.300 -0.111 0.000 0.856 409 R HN 0.275 nan 8.270 nan 0.000 0.437 410 c N -0.671 117.945 118.600 0.027 0.000 2.486 410 c HA 0.082 4.659 4.570 0.012 0.000 0.279 410 c C 2.840 177.111 174.090 0.301 0.000 1.302 410 c CA 0.456 56.844 56.329 0.098 0.000 1.720 410 c CB -0.742 41.714 42.510 -0.089 0.000 2.030 410 c HN 0.605 nan 8.230 nan 0.000 0.490 411 A N 1.304 124.344 122.820 0.365 0.000 1.917 411 A HA -0.266 4.061 4.320 0.012 0.000 0.219 411 A C 1.915 179.597 177.584 0.163 0.000 1.182 411 A CA 2.534 54.754 52.037 0.305 0.000 0.633 411 A CB -0.757 18.434 19.000 0.317 0.000 0.819 411 A HN 0.655 nan 8.150 nan 0.000 0.448 412 N N -1.819 116.953 118.700 0.119 0.000 2.250 412 N HA -0.145 4.603 4.740 0.012 0.000 0.181 412 N C 1.559 177.125 175.510 0.093 0.000 1.017 412 N CA 1.621 54.711 53.050 0.066 0.000 0.866 412 N CB -0.482 38.020 38.487 0.027 0.000 0.985 412 N HN 0.549 nan 8.380 nan 0.000 0.429 413 Y N 1.106 121.429 120.300 0.037 0.000 2.114 413 Y HA -0.201 4.356 4.550 0.012 0.000 0.284 413 Y C 2.273 178.200 175.900 0.045 0.000 1.143 413 Y CA 2.366 60.493 58.100 0.046 0.000 1.135 413 Y CB -0.570 37.935 38.460 0.075 0.000 0.980 413 Y HN 0.034 nan 8.280 nan 0.000 0.499 414 V N -0.348 119.644 119.914 0.131 0.000 2.287 414 V HA -0.323 3.804 4.120 0.012 0.000 0.248 414 V C 2.199 178.253 176.094 -0.067 0.000 1.053 414 V CA 2.384 64.693 62.300 0.015 0.000 1.027 414 V CB -1.405 30.494 31.823 0.127 0.000 0.646 414 V HN 0.484 nan 8.190 nan 0.000 0.447 415 N N 2.233 120.916 118.700 -0.029 0.000 2.094 415 N HA -0.124 4.623 4.740 0.012 0.000 0.191 415 N C 1.889 177.355 175.510 -0.073 0.000 1.023 415 N CA 2.279 55.301 53.050 -0.048 0.000 0.857 415 N CB -1.058 37.405 38.487 -0.040 0.000 1.013 415 N HN 0.625 nan 8.380 nan 0.000 0.426 416 G N -0.356 108.376 108.800 -0.112 0.000 2.442 416 G HA2 -0.224 3.743 3.960 0.012 0.000 0.219 416 G HA3 -0.224 3.743 3.960 0.012 0.000 0.219 416 G C 1.455 176.268 174.900 -0.145 0.000 1.141 416 G CA 0.720 45.741 45.100 -0.132 0.000 0.763 416 G HN 0.400 nan 8.290 nan 0.000 0.554 417 N N -0.492 118.079 118.700 -0.216 0.000 2.282 417 N HA 0.184 4.931 4.740 0.012 0.000 0.185 417 N C 0.571 176.080 175.510 -0.002 0.000 1.099 417 N CA 0.189 53.147 53.050 -0.153 0.000 0.878 417 N CB 0.499 38.790 38.487 -0.327 0.000 0.993 417 N HN 0.290 nan 8.380 nan 0.000 0.481 418 M N 0.900 120.482 119.600 -0.030 0.000 3.568 418 M HA 0.106 4.593 4.480 0.012 0.000 0.386 418 M C 0.766 177.093 176.300 0.045 0.000 1.765 418 M CA -0.038 55.250 55.300 -0.020 0.000 0.568 418 M CB 1.035 33.446 32.600 -0.315 0.000 1.428 418 M HN 0.039 nan 8.290 nan 0.000 0.493 419 E N -0.046 120.205 120.200 0.085 0.000 2.204 419 E HA -0.149 4.208 4.350 0.012 0.000 0.194 419 E C 0.771 177.394 176.600 0.039 0.000 0.989 419 E CA 1.338 57.755 56.400 0.029 0.000 0.824 419 E CB 0.140 29.845 29.700 0.010 0.000 0.756 419 E HN 0.461 nan 8.360 nan 0.000 0.477 420 N N 1.387 120.151 118.700 0.107 0.000 2.207 420 N HA 0.003 4.750 4.740 0.012 0.000 0.182 420 N C 1.844 177.400 175.510 0.076 0.000 1.020 420 N CA 1.440 54.528 53.050 0.063 0.000 0.858 420 N CB -0.378 38.142 38.487 0.056 0.000 0.991 420 N HN 0.318 nan 8.380 nan 0.000 0.427 421 A N 1.063 123.974 122.820 0.151 0.000 1.835 421 A HA -0.101 4.226 4.320 0.012 0.000 0.215 421 A C 2.428 180.008 177.584 -0.006 0.000 1.199 421 A CA 1.678 53.751 52.037 0.059 0.000 0.615 421 A CB -1.063 17.902 19.000 -0.059 0.000 0.838 421 A HN 0.066 nan 8.150 nan 0.000 0.444 422 V N 0.160 120.058 119.914 -0.026 0.000 2.380 422 V HA -0.259 3.868 4.120 0.012 0.000 0.251 422 V C 2.724 178.820 176.094 0.002 0.000 1.063 422 V CA 2.127 64.412 62.300 -0.024 0.000 1.055 422 V CB -1.520 30.282 31.823 -0.035 0.000 0.657 422 V HN 0.667 nan 8.190 nan 0.000 0.455 423 G N -0.585 108.213 108.800 -0.003 0.000 2.403 423 G HA2 -0.246 3.721 3.960 0.012 0.000 0.216 423 G HA3 -0.246 3.721 3.960 0.012 0.000 0.216 423 G C 1.680 176.567 174.900 -0.021 0.000 1.154 423 G CA 0.709 45.811 45.100 0.002 0.000 0.784 423 G HN 0.417 nan 8.290 nan 0.000 0.538 424 R N 0.208 120.679 120.500 -0.048 0.000 2.096 424 R HA -0.058 4.290 4.340 0.012 0.000 0.240 424 R C 2.465 178.717 176.300 -0.080 0.000 1.139 424 R CA 1.463 57.510 56.100 -0.089 0.000 0.952 424 R CB -0.481 29.792 30.300 -0.046 0.000 0.854 424 R HN 0.412 nan 8.270 nan 0.000 0.436 425 L N -0.430 120.774 121.223 -0.031 0.000 2.056 425 L HA -0.177 4.171 4.340 0.012 0.000 0.207 425 L C 2.562 179.426 176.870 -0.010 0.000 1.078 425 L CA 1.311 56.135 54.840 -0.027 0.000 0.749 425 L CB -0.686 41.361 42.059 -0.019 0.000 0.901 425 L HN 0.233 nan 8.230 nan 0.000 0.433 426 Y N 0.861 121.108 120.300 -0.088 0.000 2.181 426 Y HA -0.231 4.327 4.550 0.012 0.000 0.288 426 Y C 2.400 178.263 175.900 -0.062 0.000 1.146 426 Y CA 1.824 59.884 58.100 -0.067 0.000 1.164 426 Y CB -0.357 38.063 38.460 -0.066 0.000 0.982 426 Y HN 0.044 nan 8.280 nan 0.000 0.515 427 V N -1.488 118.321 119.914 -0.176 0.000 2.379 427 V HA -0.196 3.931 4.120 0.012 0.000 0.245 427 V C 1.932 177.900 176.094 -0.210 0.000 1.044 427 V CA 1.984 64.126 62.300 -0.263 0.000 1.036 427 V CB -1.028 30.503 31.823 -0.487 0.000 0.664 427 V HN 0.416 nan 8.190 nan 0.000 0.453 428 E N 1.700 121.789 120.200 -0.184 0.000 2.085 428 E HA -0.184 4.174 4.350 0.012 0.000 0.194 428 E C 2.343 178.872 176.600 -0.118 0.000 0.994 428 E CA 1.591 57.914 56.400 -0.127 0.000 0.801 428 E CB -0.403 29.239 29.700 -0.096 0.000 0.743 428 E HN 0.716 nan 8.360 nan 0.000 0.453 429 A N 0.809 123.543 122.820 -0.143 0.000 1.930 429 A HA 0.154 4.481 4.320 0.012 0.000 0.215 429 A C 2.125 179.617 177.584 -0.155 0.000 1.176 429 A CA 1.532 53.492 52.037 -0.128 0.000 0.632 429 A CB 0.039 18.974 19.000 -0.108 0.000 0.819 429 A HN 0.269 nan 8.150 nan 0.000 0.445 430 A N -2.991 119.675 122.820 -0.257 0.000 2.427 430 A HA 0.555 4.883 4.320 0.012 0.000 0.225 430 A C 0.063 177.574 177.584 -0.123 0.000 1.257 430 A CA -0.217 51.658 52.037 -0.270 0.000 0.985 430 A CB 0.226 18.900 19.000 -0.543 0.000 1.136 430 A HN 0.413 nan 8.150 nan 0.000 0.538 431 F N -0.167 119.615 119.950 -0.279 0.000 2.467 431 F HA 0.573 5.108 4.527 0.012 0.000 0.336 431 F C 1.064 176.848 175.800 -0.026 0.000 1.123 431 F CA -0.337 57.590 58.000 -0.123 0.000 0.964 431 F CB 1.976 40.913 39.000 -0.105 0.000 1.136 431 F HN 0.062 nan 8.300 nan 0.000 0.447 432 A N 3.549 126.019 122.820 -0.583 0.000 1.898 432 A HA 0.338 4.665 4.320 0.012 0.000 0.214 432 A C 1.811 179.221 177.584 -0.289 0.000 1.183 432 A CA 1.379 53.220 52.037 -0.326 0.000 0.622 432 A CB -0.919 17.942 19.000 -0.231 0.000 0.824 432 A HN 1.674 nan 8.150 nan 0.000 0.444 433 G N -1.935 106.578 108.800 -0.479 0.000 2.278 433 G HA2 -0.176 3.791 3.960 0.012 0.000 0.210 433 G HA3 -0.176 3.791 3.960 0.012 0.000 0.210 433 G C 0.742 175.641 174.900 -0.002 0.000 1.000 433 G CA 0.522 45.539 45.100 -0.137 0.000 0.635 433 G HN 0.414 nan 8.290 nan 0.000 0.495 434 E N 0.318 120.507 120.200 -0.017 0.000 2.447 434 E HA 0.186 4.543 4.350 0.012 0.000 0.204 434 E C 2.197 178.881 176.600 0.141 0.000 0.977 434 E CA 0.510 57.007 56.400 0.163 0.000 0.950 434 E CB 0.219 29.965 29.700 0.077 0.000 0.975 434 E HN 0.338 nan 8.360 nan 0.000 0.496 435 S N 1.656 117.374 115.700 0.030 0.000 2.400 435 S HA -0.253 4.224 4.470 0.012 0.000 0.234 435 S C 1.887 176.543 174.600 0.093 0.000 1.049 435 S CA 1.866 60.183 58.200 0.195 0.000 1.039 435 S CB -0.158 63.153 63.200 0.185 0.000 0.856 435 S HN 0.286 nan 8.310 nan 0.000 0.465 436 K N 0.152 120.598 120.400 0.075 0.000 2.243 436 K HA -0.039 4.288 4.320 0.012 0.000 0.201 436 K C 1.628 178.179 176.600 -0.081 0.000 1.051 436 K CA 1.092 57.406 56.287 0.045 0.000 0.970 436 K CB -0.194 32.364 32.500 0.096 0.000 0.755 436 K HN 0.396 nan 8.250 nan 0.000 0.465 437 H N 0.116 119.198 119.070 0.020 0.000 2.357 437 H HA -0.068 4.495 4.556 0.012 0.000 0.301 437 H C 2.004 177.332 175.328 0.000 0.000 1.082 437 H CA 1.766 57.822 56.048 0.014 0.000 1.342 437 H CB 0.035 29.812 29.762 0.025 0.000 1.389 437 H HN -0.053 nan 8.280 nan 0.000 0.511 438 V N -0.103 119.891 119.914 0.134 0.000 2.358 438 V HA -0.207 3.920 4.120 0.012 0.000 0.246 438 V C 2.323 178.368 176.094 -0.082 0.000 1.047 438 V CA 1.318 63.667 62.300 0.083 0.000 1.035 438 V CB -0.423 31.535 31.823 0.225 0.000 0.658 438 V HN 0.259 nan 8.190 nan 0.000 0.452 439 V N -0.245 119.526 119.914 -0.239 0.000 2.295 439 V HA -0.279 3.848 4.120 0.012 0.000 0.246 439 V C 2.412 178.376 176.094 -0.215 0.000 1.049 439 V CA 2.113 64.198 62.300 -0.358 0.000 1.024 439 V CB -0.611 30.947 31.823 -0.443 0.000 0.648 439 V HN 0.591 nan 8.190 nan 0.000 0.447 440 E N -0.099 120.027 120.200 -0.123 0.000 2.108 440 E HA -0.354 4.003 4.350 0.012 0.000 0.203 440 E C 1.932 178.509 176.600 -0.039 0.000 1.022 440 E CA 2.102 58.462 56.400 -0.067 0.000 0.823 440 E CB -0.221 29.459 29.700 -0.033 0.000 0.744 440 E HN 0.758 nan 8.360 nan 0.000 0.456 441 D N -0.149 120.242 120.400 -0.014 0.000 2.149 441 D HA -0.101 4.546 4.640 0.012 0.000 0.201 441 D C 1.909 178.213 176.300 0.007 0.000 0.972 441 D CA 0.674 54.687 54.000 0.021 0.000 0.835 441 D CB 0.018 40.853 40.800 0.060 0.000 0.966 441 D HN 0.089 nan 8.370 nan 0.000 0.476 442 L N 0.231 121.420 121.223 -0.058 0.000 2.042 442 L HA -0.144 4.203 4.340 0.012 0.000 0.210 442 L C 2.562 179.391 176.870 -0.069 0.000 1.076 442 L CA 0.837 55.618 54.840 -0.098 0.000 0.749 442 L CB -0.444 41.467 42.059 -0.247 0.000 0.893 442 L HN 0.202 nan 8.230 nan 0.000 0.432 443 I N -0.170 120.334 120.570 -0.109 0.000 2.286 443 I HA -0.273 3.904 4.170 0.012 0.000 0.248 443 I C 2.809 178.929 176.117 0.004 0.000 1.115 443 I CA 1.047 62.302 61.300 -0.074 0.000 1.392 443 I CB -0.409 37.532 38.000 -0.099 0.000 1.065 443 I HN 0.217 nan 8.210 nan 0.000 0.418 444 A N 0.196 123.024 122.820 0.013 0.000 1.908 444 A HA -0.279 4.048 4.320 0.012 0.000 0.218 444 A C 2.236 179.859 177.584 0.066 0.000 1.181 444 A CA 1.676 53.737 52.037 0.040 0.000 0.627 444 A CB -0.612 18.412 19.000 0.040 0.000 0.818 444 A HN 0.440 nan 8.150 nan 0.000 0.445 445 Q N -0.898 118.952 119.800 0.083 0.000 2.020 445 Q HA -0.134 4.214 4.340 0.012 0.000 0.202 445 Q C 1.987 178.068 176.000 0.137 0.000 0.982 445 Q CA 1.765 57.645 55.803 0.128 0.000 0.838 445 Q CB -0.281 28.573 28.738 0.193 0.000 0.899 445 Q HN 0.698 nan 8.270 nan 0.000 0.423 446 I N 0.178 120.827 120.570 0.132 0.000 2.315 446 I HA -0.242 3.935 4.170 0.012 0.000 0.248 446 I C 2.482 178.688 176.117 0.148 0.000 1.117 446 I CA 0.916 62.309 61.300 0.155 0.000 1.404 446 I CB -0.209 37.876 38.000 0.142 0.000 1.071 446 I HN 0.111 nan 8.210 nan 0.000 0.419 447 R N 0.645 121.208 120.500 0.105 0.000 2.096 447 R HA -0.237 4.111 4.340 0.012 0.000 0.235 447 R C 2.175 178.556 176.300 0.136 0.000 1.127 447 R CA 1.658 57.814 56.100 0.094 0.000 0.968 447 R CB -0.099 30.233 30.300 0.053 0.000 0.861 447 R HN 0.240 nan 8.270 nan 0.000 0.440 448 E N 0.307 120.575 120.200 0.114 0.000 2.072 448 E HA -0.104 4.253 4.350 0.012 0.000 0.191 448 E C 1.909 178.577 176.600 0.113 0.000 0.985 448 E CA 1.398 57.858 56.400 0.101 0.000 0.801 448 E CB -0.282 29.466 29.700 0.080 0.000 0.750 448 E HN 0.148 nan 8.360 nan 0.000 0.452 449 V N 0.868 120.860 119.914 0.130 0.000 2.287 449 V HA -0.237 3.891 4.120 0.012 0.000 0.248 449 V C 2.206 178.380 176.094 0.133 0.000 1.053 449 V CA 2.044 64.418 62.300 0.122 0.000 1.027 449 V CB -0.768 31.142 31.823 0.146 0.000 0.646 449 V HN 0.351 nan 8.190 nan 0.000 0.447 450 F N 0.714 120.676 119.950 0.020 0.000 2.043 450 F HA -0.280 4.254 4.527 0.012 0.000 0.297 450 F C 2.157 177.922 175.800 -0.058 0.000 1.118 450 F CA 2.155 60.137 58.000 -0.030 0.000 1.202 450 F CB -0.380 38.567 39.000 -0.089 0.000 0.965 450 F HN 0.070 nan 8.300 nan 0.000 0.482 451 I N 0.340 121.023 120.570 0.189 0.000 2.087 451 I HA -0.435 3.742 4.170 0.012 0.000 0.240 451 I C 2.550 178.628 176.117 -0.065 0.000 1.054 451 I CA 1.966 63.294 61.300 0.046 0.000 1.311 451 I CB -0.976 37.082 38.000 0.096 0.000 1.024 451 I HN 0.321 nan 8.210 nan 0.000 0.402 452 Q N 0.078 119.865 119.800 -0.021 0.000 2.065 452 Q HA -0.286 4.061 4.340 0.012 0.000 0.213 452 Q C 2.205 178.159 176.000 -0.076 0.000 1.012 452 Q CA 2.731 58.514 55.803 -0.033 0.000 0.876 452 Q CB -0.509 28.227 28.738 -0.002 0.000 0.954 452 Q HN 0.531 nan 8.270 nan 0.000 0.413 453 T N 1.441 115.933 114.554 -0.104 0.000 2.962 453 T HA -0.053 4.304 4.350 0.012 0.000 0.270 453 T C 1.758 176.361 174.700 -0.161 0.000 1.088 453 T CA 0.513 62.551 62.100 -0.105 0.000 1.127 453 T CB -0.130 68.687 68.868 -0.085 0.000 0.883 453 T HN 0.202 nan 8.240 nan 0.000 0.493 454 L N 0.987 122.067 121.223 -0.238 0.000 2.189 454 L HA -0.191 4.156 4.340 0.012 0.000 0.214 454 L C 2.074 178.835 176.870 -0.181 0.000 1.097 454 L CA 1.210 55.906 54.840 -0.240 0.000 0.764 454 L CB -0.586 41.333 42.059 -0.235 0.000 0.900 454 L HN 0.220 nan 8.230 nan 0.000 0.436 455 D N -0.668 119.654 120.400 -0.130 0.000 2.194 455 D HA -0.127 4.520 4.640 0.012 0.000 0.204 455 D C 1.533 177.775 176.300 -0.096 0.000 0.964 455 D CA 0.936 54.876 54.000 -0.100 0.000 0.846 455 D CB -0.068 40.691 40.800 -0.068 0.000 0.962 455 D HN 0.279 nan 8.370 nan 0.000 0.490 456 D N -0.121 120.225 120.400 -0.090 0.000 2.349 456 D HA 0.064 4.711 4.640 0.012 0.000 0.214 456 D C 0.190 176.441 176.300 -0.081 0.000 1.063 456 D CA 0.024 53.986 54.000 -0.063 0.000 0.847 456 D CB 0.867 41.648 40.800 -0.031 0.000 0.933 456 D HN 0.194 nan 8.370 nan 0.000 0.513 457 L N 1.855 122.980 121.223 -0.165 0.000 2.261 457 L HA 0.139 4.486 4.340 0.012 0.000 0.289 457 L C 1.666 178.333 176.870 -0.338 0.000 1.059 457 L CA -0.115 54.557 54.840 -0.281 0.000 0.816 457 L CB 1.238 42.989 42.059 -0.513 0.000 1.191 457 L HN -0.110 nan 8.230 nan 0.000 0.431 458 T N -2.045 112.419 114.554 -0.150 0.000 3.129 458 T HA -0.035 4.322 4.350 0.012 0.000 0.251 458 T C 1.077 175.778 174.700 0.001 0.000 1.117 458 T CA -0.241 61.826 62.100 -0.055 0.000 1.034 458 T CB -0.087 68.800 68.868 0.032 0.000 0.968 458 T HN 0.794 nan 8.240 nan 0.000 0.526 459 W N 0.547 121.833 121.300 -0.022 0.000 3.127 459 W HA 0.536 5.204 4.660 0.012 0.000 0.344 459 W C -0.257 176.282 176.519 0.033 0.000 1.151 459 W CA -1.005 56.334 57.345 -0.010 0.000 1.765 459 W CB -0.550 28.882 29.460 -0.046 0.000 1.085 459 W HN 0.156 nan 8.180 nan 0.000 0.596 460 M N 2.290 121.709 119.600 -0.300 0.000 2.644 460 M HA 0.221 4.708 4.480 0.012 0.000 0.316 460 M C -0.468 175.782 176.300 -0.085 0.000 1.200 460 M CA -0.661 54.533 55.300 -0.177 0.000 0.944 460 M CB 1.695 34.050 32.600 -0.408 0.000 1.691 460 M HN -0.213 nan 8.290 nan 0.000 0.471 461 D N 0.693 121.083 120.400 -0.017 0.000 2.340 461 D HA 0.515 5.162 4.640 0.012 0.000 0.251 461 D C 0.720 176.997 176.300 -0.039 0.000 1.080 461 D CA -0.667 53.325 54.000 -0.013 0.000 0.971 461 D CB 0.803 41.620 40.800 0.027 0.000 1.137 461 D HN 0.624 nan 8.370 nan 0.000 0.475 462 A N 0.997 123.798 122.820 -0.032 0.000 1.859 462 A HA -0.309 4.018 4.320 0.012 0.000 0.217 462 A C 1.844 179.407 177.584 -0.035 0.000 1.198 462 A CA 2.224 54.238 52.037 -0.039 0.000 0.629 462 A CB -1.176 17.808 19.000 -0.026 0.000 0.830 462 A HN 0.820 nan 8.150 nan 0.000 0.446 463 E N -1.115 119.075 120.200 -0.017 0.000 2.118 463 E HA -0.176 4.181 4.350 0.012 0.000 0.195 463 E C 1.867 178.456 176.600 -0.018 0.000 0.992 463 E CA 1.598 57.992 56.400 -0.010 0.000 0.804 463 E CB -0.833 28.874 29.700 0.011 0.000 0.741 463 E HN 0.490 nan 8.360 nan 0.000 0.458 464 T N 1.227 115.765 114.554 -0.027 0.000 2.737 464 T HA -0.105 4.252 4.350 0.012 0.000 0.265 464 T C 1.688 176.341 174.700 -0.079 0.000 1.038 464 T CA 1.424 63.485 62.100 -0.065 0.000 1.144 464 T CB -0.118 68.681 68.868 -0.115 0.000 0.866 464 T HN 0.166 nan 8.240 nan 0.000 0.434 465 K N 1.047 121.392 120.400 -0.093 0.000 2.034 465 K HA -0.227 4.100 4.320 0.012 0.000 0.214 465 K C 2.352 178.907 176.600 -0.076 0.000 1.051 465 K CA 1.685 57.915 56.287 -0.094 0.000 0.931 465 K CB -0.193 32.240 32.500 -0.112 0.000 0.715 465 K HN 0.287 nan 8.250 nan 0.000 0.446 466 K N 1.177 121.535 120.400 -0.070 0.000 2.063 466 K HA -0.190 4.137 4.320 0.012 0.000 0.208 466 K C 2.172 178.709 176.600 -0.105 0.000 1.048 466 K CA 1.528 57.773 56.287 -0.070 0.000 0.928 466 K CB -0.012 32.455 32.500 -0.054 0.000 0.713 466 K HN -0.020 nan 8.250 nan 0.000 0.442 467 R N -0.062 120.358 120.500 -0.134 0.000 2.115 467 R HA -0.035 4.312 4.340 0.012 0.000 0.230 467 R C 2.274 178.293 176.300 -0.469 0.000 1.111 467 R CA 1.243 57.166 56.100 -0.294 0.000 0.976 467 R CB -0.263 29.890 30.300 -0.246 0.000 0.870 467 R HN 0.338 nan 8.270 nan 0.000 0.445 468 A N 0.766 123.434 122.820 -0.253 0.000 1.902 468 A HA -0.235 4.092 4.320 0.012 0.000 0.217 468 A C 2.023 179.644 177.584 0.061 0.000 1.181 468 A CA 1.681 53.702 52.037 -0.027 0.000 0.623 468 A CB -0.453 18.627 19.000 0.134 0.000 0.818 468 A HN 0.490 nan 8.150 nan 0.000 0.443 469 E N -0.084 120.111 120.200 -0.008 0.000 2.047 469 E HA -0.242 4.115 4.350 0.012 0.000 0.191 469 E C 1.848 178.445 176.600 -0.005 0.000 0.987 469 E CA 1.305 57.721 56.400 0.027 0.000 0.799 469 E CB -0.273 29.419 29.700 -0.012 0.000 0.752 469 E HN 0.678 nan 8.360 nan 0.000 0.449 470 E N 0.645 120.795 120.200 -0.082 0.000 2.082 470 E HA -0.332 4.026 4.350 0.012 0.000 0.215 470 E C 2.085 178.617 176.600 -0.113 0.000 1.048 470 E CA 2.341 58.671 56.400 -0.117 0.000 0.869 470 E CB -0.137 29.447 29.700 -0.194 0.000 0.773 470 E HN 0.192 nan 8.360 nan 0.000 0.466 471 K N -0.095 120.197 120.400 -0.180 0.000 2.097 471 K HA -0.138 4.189 4.320 0.012 0.000 0.206 471 K C 1.904 178.494 176.600 -0.017 0.000 1.049 471 K CA 1.328 57.514 56.287 -0.168 0.000 0.933 471 K CB -0.131 32.177 32.500 -0.320 0.000 0.717 471 K HN 0.172 nan 8.250 nan 0.000 0.442 472 A N 1.194 124.086 122.820 0.120 0.000 1.898 472 A HA -0.063 4.265 4.320 0.012 0.000 0.216 472 A C 2.085 179.685 177.584 0.027 0.000 1.181 472 A CA 1.254 53.351 52.037 0.100 0.000 0.620 472 A CB -0.633 18.435 19.000 0.113 0.000 0.819 472 A HN 0.332 nan 8.150 nan 0.000 0.442 473 L N -0.775 120.460 121.223 0.020 0.000 2.187 473 L HA -0.199 4.149 4.340 0.012 0.000 0.213 473 L C 2.701 179.565 176.870 -0.010 0.000 1.100 473 L CA 1.011 55.855 54.840 0.005 0.000 0.765 473 L CB -0.303 41.754 42.059 -0.004 0.000 0.904 473 L HN 0.440 nan 8.230 nan 0.000 0.437 474 A N -0.624 122.182 122.820 -0.023 0.000 2.238 474 A HA 0.209 4.536 4.320 0.012 0.000 0.210 474 A C 1.091 178.657 177.584 -0.030 0.000 1.179 474 A CA -0.269 51.747 52.037 -0.035 0.000 0.827 474 A CB -0.277 18.690 19.000 -0.055 0.000 0.856 474 A HN 0.219 nan 8.150 nan 0.000 0.488 475 I N 0.863 121.424 120.570 -0.015 0.000 2.710 475 I HA 0.048 4.225 4.170 0.012 0.000 0.286 475 I C 0.296 176.404 176.117 -0.014 0.000 1.181 475 I CA 0.528 61.827 61.300 -0.003 0.000 1.430 475 I CB 0.461 38.477 38.000 0.026 0.000 1.367 475 I HN 0.092 nan 8.210 nan 0.000 0.577 476 K N 6.480 126.857 120.400 -0.039 0.000 2.324 476 K HA 0.325 4.653 4.320 0.012 0.000 0.253 476 K C -0.646 175.907 176.600 -0.078 0.000 0.932 476 K CA -0.631 55.622 56.287 -0.056 0.000 0.799 476 K CB 2.336 34.788 32.500 -0.079 0.000 1.154 476 K HN 0.641 nan 8.250 nan 0.000 0.425 477 E N 3.741 123.905 120.200 -0.059 0.000 2.195 477 E HA 0.410 4.768 4.350 0.012 0.000 0.271 477 E C -0.734 175.792 176.600 -0.124 0.000 0.923 477 E CA -0.955 55.430 56.400 -0.025 0.000 0.790 477 E CB 1.762 31.499 29.700 0.061 0.000 1.155 477 E HN 0.250 nan 8.360 nan 0.000 0.402 478 R N 3.156 123.541 120.500 -0.192 0.000 2.451 478 R HA 0.496 4.844 4.340 0.012 0.000 0.307 478 R C -0.692 175.517 176.300 -0.151 0.000 0.965 478 R CA -0.658 55.137 56.100 -0.508 0.000 0.865 478 R CB 0.896 30.472 30.300 -1.207 0.000 1.174 478 R HN 0.609 nan 8.270 nan 0.000 0.455 479 I N 1.372 122.022 120.570 0.135 0.000 2.439 479 I HA 0.389 4.566 4.170 0.012 0.000 0.285 479 I C 1.075 177.415 176.117 0.371 0.000 1.021 479 I CA -0.166 61.288 61.300 0.257 0.000 1.091 479 I CB 1.971 40.039 38.000 0.113 0.000 1.242 479 I HN 0.842 nan 8.210 nan 0.000 0.439 480 G N 5.815 114.815 108.800 0.333 0.000 5.347 480 G HA2 -0.297 3.670 3.960 0.012 0.000 0.299 480 G HA3 -0.297 3.670 3.960 0.012 0.000 0.299 480 G C -0.319 174.685 174.900 0.173 0.000 1.492 480 G CA 0.638 45.811 45.100 0.121 0.000 0.991 480 G HN 0.915 nan 8.290 nan 0.000 0.749 481 Y N -1.303 118.969 120.300 -0.048 0.000 2.689 481 Y HA 0.714 5.271 4.550 0.012 0.000 0.333 481 Y C -2.973 172.503 175.900 -0.707 0.000 1.208 481 Y CA -2.023 55.748 58.100 -0.547 0.000 1.055 481 Y CB 0.992 39.276 38.460 -0.292 0.000 1.304 481 Y HN 0.353 nan 8.280 nan 0.000 0.455 482 P HA 0.230 nan 4.420 nan 0.000 0.292 482 P C -0.468 176.734 177.300 -0.164 0.000 1.326 482 P CA 0.055 62.781 63.100 -0.623 0.000 0.787 482 P CB 1.745 32.902 31.700 -0.905 0.000 0.903 483 D N 1.865 122.190 120.400 -0.126 0.000 2.220 483 D HA -0.236 4.412 4.640 0.012 0.000 0.198 483 D C 1.233 177.580 176.300 0.079 0.000 1.001 483 D CA 1.539 55.576 54.000 0.062 0.000 0.875 483 D CB -0.029 40.780 40.800 0.015 0.000 0.921 483 D HN 0.373 nan 8.370 nan 0.000 0.454 484 D N -0.233 120.175 120.400 0.014 0.000 2.157 484 D HA -0.187 4.461 4.640 0.012 0.000 0.191 484 D C 2.004 178.313 176.300 0.015 0.000 1.004 484 D CA 1.017 55.022 54.000 0.008 0.000 0.854 484 D CB -0.344 40.447 40.800 -0.016 0.000 0.936 484 D HN 0.530 nan 8.370 nan 0.000 0.446 485 I N -2.553 118.022 120.570 0.007 0.000 3.001 485 I HA -0.082 4.095 4.170 0.012 0.000 0.268 485 I C 1.550 177.674 176.117 0.012 0.000 1.267 485 I CA 0.533 61.832 61.300 -0.001 0.000 1.472 485 I CB 0.093 38.072 38.000 -0.034 0.000 1.089 485 I HN -0.162 nan 8.210 nan 0.000 0.468 486 V N 0.986 120.926 119.914 0.043 0.000 2.922 486 V HA -0.038 4.090 4.120 0.012 0.000 0.242 486 V C 2.541 178.656 176.094 0.036 0.000 1.094 486 V CA 1.497 63.814 62.300 0.029 0.000 1.106 486 V CB 0.238 32.087 31.823 0.044 0.000 0.799 486 V HN 0.644 nan 8.190 nan 0.000 0.474 487 S N -0.494 115.235 115.700 0.048 0.000 2.486 487 S HA 0.107 4.584 4.470 0.012 0.000 0.220 487 S C 0.939 175.555 174.600 0.027 0.000 1.011 487 S CA 0.230 58.454 58.200 0.040 0.000 0.921 487 S CB -0.122 63.106 63.200 0.048 0.000 0.785 487 S HN 0.457 nan 8.310 nan 0.000 0.517 488 N N 1.560 120.274 118.700 0.023 0.000 2.800 488 N HA 0.299 5.046 4.740 0.012 0.000 0.240 488 N C -0.677 174.841 175.510 0.014 0.000 1.096 488 N CA -0.181 52.878 53.050 0.016 0.000 0.877 488 N CB 1.157 39.651 38.487 0.012 0.000 1.138 488 N HN -0.008 nan 8.380 nan 0.000 0.509 489 D N 1.556 121.965 120.400 0.015 0.000 2.084 489 D HA -0.111 4.537 4.640 0.012 0.000 0.194 489 D C 1.292 177.602 176.300 0.017 0.000 0.990 489 D CA 1.201 55.212 54.000 0.018 0.000 0.826 489 D CB 0.068 40.877 40.800 0.016 0.000 0.971 489 D HN 0.588 nan 8.370 nan 0.000 0.453 490 N N 0.295 119.001 118.700 0.011 0.000 2.049 490 N HA -0.248 4.499 4.740 0.012 0.000 0.198 490 N C 1.699 177.209 175.510 0.000 0.000 1.030 490 N CA 1.433 54.487 53.050 0.007 0.000 0.870 490 N CB -0.053 38.436 38.487 0.004 0.000 1.045 490 N HN 0.116 nan 8.380 nan 0.000 0.434 491 K N 0.654 121.052 120.400 -0.004 0.000 2.147 491 K HA -0.098 4.229 4.320 0.012 0.000 0.205 491 K C 1.911 178.489 176.600 -0.037 0.000 1.049 491 K CA 0.744 57.020 56.287 -0.019 0.000 0.936 491 K CB 0.033 32.524 32.500 -0.016 0.000 0.722 491 K HN 0.142 nan 8.250 nan 0.000 0.446 492 L N 1.284 122.503 121.223 -0.007 0.000 2.127 492 L HA -0.054 4.293 4.340 0.012 0.000 0.203 492 L C 1.424 178.330 176.870 0.059 0.000 1.080 492 L CA 1.523 56.373 54.840 0.016 0.000 0.768 492 L CB -1.159 40.941 42.059 0.068 0.000 0.924 492 L HN 0.257 nan 8.230 nan 0.000 0.444 493 N N 1.061 119.800 118.700 0.064 0.000 2.104 493 N HA -0.202 4.545 4.740 0.012 0.000 0.190 493 N C 1.451 176.980 175.510 0.031 0.000 1.024 493 N CA 1.339 54.435 53.050 0.078 0.000 0.853 493 N CB -0.396 38.117 38.487 0.044 0.000 1.008 493 N HN 0.395 nan 8.380 nan 0.000 0.424 494 N N 1.067 119.756 118.700 -0.018 0.000 2.396 494 N HA -0.099 4.648 4.740 0.012 0.000 0.180 494 N C 1.476 176.936 175.510 -0.084 0.000 1.028 494 N CA 0.296 53.326 53.050 -0.034 0.000 0.893 494 N CB -0.124 38.347 38.487 -0.026 0.000 0.967 494 N HN 0.498 nan 8.380 nan 0.000 0.440 495 E N -0.536 119.533 120.200 -0.217 0.000 2.204 495 E HA -0.150 4.208 4.350 0.012 0.000 0.195 495 E C 0.201 176.518 176.600 -0.473 0.000 0.990 495 E CA 0.939 57.098 56.400 -0.401 0.000 0.821 495 E CB 0.110 29.395 29.700 -0.692 0.000 0.750 495 E HN 0.413 nan 8.360 nan 0.000 0.477 496 Y N -0.524 119.757 120.300 -0.033 0.000 2.612 496 Y HA 0.201 4.758 4.550 0.012 0.000 0.250 496 Y C 1.466 177.249 175.900 -0.195 0.000 1.175 496 Y CA -0.437 57.561 58.100 -0.170 0.000 1.205 496 Y CB 0.141 38.507 38.460 -0.157 0.000 1.201 496 Y HN 0.023 nan 8.280 nan 0.000 0.532 497 L N 0.242 121.465 121.223 -0.001 0.000 2.021 497 L HA -0.310 4.038 4.340 0.012 0.000 0.215 497 L C 1.834 178.675 176.870 -0.049 0.000 1.074 497 L CA 2.092 56.926 54.840 -0.011 0.000 0.760 497 L CB -0.046 42.022 42.059 0.014 0.000 0.889 497 L HN 0.318 nan 8.230 nan 0.000 0.433 498 E N -0.741 119.443 120.200 -0.027 0.000 2.482 498 E HA 0.018 4.375 4.350 0.012 0.000 0.196 498 E C 0.211 176.706 176.600 -0.174 0.000 1.047 498 E CA -0.122 56.286 56.400 0.015 0.000 0.869 498 E CB 0.177 30.082 29.700 0.342 0.000 0.836 498 E HN 0.372 nan 8.360 nan 0.000 0.520 499 L N 0.998 121.997 121.223 -0.373 0.000 2.334 499 L HA 0.320 4.667 4.340 0.012 0.000 0.277 499 L C 0.025 176.623 176.870 -0.454 0.000 1.075 499 L CA -0.395 54.133 54.840 -0.521 0.000 0.804 499 L CB 1.090 42.695 42.059 -0.757 0.000 1.174 499 L HN -0.018 nan 8.230 nan 0.000 0.438 500 N N 1.879 120.312 118.700 -0.446 0.000 2.549 500 N HA 0.234 4.981 4.740 0.012 0.000 0.290 500 N C -1.791 173.617 175.510 -0.170 0.000 1.122 500 N CA -0.462 52.416 53.050 -0.286 0.000 0.885 500 N CB 1.262 39.677 38.487 -0.121 0.000 1.455 500 N HN 0.306 nan 8.380 nan 0.000 0.521 501 Y N 1.507 121.801 120.300 -0.010 0.000 2.387 501 Y HA 0.417 4.974 4.550 0.012 0.000 0.330 501 Y C 0.397 176.309 175.900 0.020 0.000 1.133 501 Y CA -0.440 57.664 58.100 0.007 0.000 1.152 501 Y CB 1.236 39.704 38.460 0.013 0.000 1.215 501 Y HN 0.150 nan 8.280 nan 0.000 0.466 502 K N 2.011 122.538 120.400 0.211 0.000 2.244 502 K HA 0.258 4.585 4.320 0.012 0.000 0.260 502 K C 0.260 176.926 176.600 0.109 0.000 0.951 502 K CA -0.602 55.762 56.287 0.128 0.000 0.826 502 K CB 1.766 34.325 32.500 0.097 0.000 1.108 502 K HN 0.727 nan 8.250 nan 0.000 0.433 503 E N 1.272 121.524 120.200 0.086 0.000 2.347 503 E HA -0.146 4.211 4.350 0.012 0.000 0.196 503 E C 0.392 177.025 176.600 0.054 0.000 1.008 503 E CA 0.950 57.390 56.400 0.067 0.000 0.852 503 E CB 0.233 29.965 29.700 0.054 0.000 0.783 503 E HN 0.556 nan 8.360 nan 0.000 0.505 504 D N 0.008 120.444 120.400 0.059 0.000 2.402 504 D HA -0.005 4.643 4.640 0.012 0.000 0.216 504 D C 0.188 176.532 176.300 0.072 0.000 1.128 504 D CA 0.130 54.161 54.000 0.052 0.000 0.833 504 D CB 0.345 41.170 40.800 0.041 0.000 0.971 504 D HN -0.110 nan 8.370 nan 0.000 0.503 505 E N 0.491 120.747 120.200 0.093 0.000 3.651 505 E HA 0.043 4.400 4.350 0.012 0.000 0.220 505 E C 0.005 176.681 176.600 0.126 0.000 1.222 505 E CA -0.651 55.815 56.400 0.109 0.000 1.114 505 E CB 0.055 29.813 29.700 0.096 0.000 1.278 505 E HN 0.267 nan 8.360 nan 0.000 0.412 506 Y N 0.486 120.793 120.300 0.012 0.000 2.151 506 Y HA -0.308 4.249 4.550 0.013 0.000 0.284 506 Y C 1.696 177.589 175.900 -0.012 0.000 1.166 506 Y CA 1.666 59.741 58.100 -0.042 0.000 1.163 506 Y CB 0.049 38.462 38.460 -0.078 0.000 0.974 506 Y HN 0.330 nan 8.280 nan 0.000 0.511 507 F N 1.113 120.960 119.950 -0.171 0.000 2.113 507 F HA -0.129 4.405 4.527 0.011 0.000 0.297 507 F C 2.042 177.744 175.800 -0.163 0.000 1.103 507 F CA 1.873 59.727 58.000 -0.242 0.000 1.248 507 F CB -0.284 38.644 39.000 -0.121 0.000 0.999 507 F HN 0.026 nan 8.300 nan 0.000 0.475 508 E N 0.514 120.793 120.200 0.131 0.000 2.086 508 E HA -0.268 4.090 4.350 0.012 0.000 0.200 508 E C 1.785 178.384 176.600 -0.002 0.000 1.012 508 E CA 2.041 58.492 56.400 0.084 0.000 0.812 508 E CB -0.712 29.055 29.700 0.111 0.000 0.743 508 E HN 0.564 nan 8.360 nan 0.000 0.453 509 N N 0.008 118.674 118.700 -0.056 0.000 2.084 509 N HA -0.118 4.629 4.740 0.012 0.000 0.190 509 N C 2.039 177.493 175.510 -0.094 0.000 1.030 509 N CA 1.382 54.415 53.050 -0.029 0.000 0.849 509 N CB -0.281 38.101 38.487 -0.175 0.000 1.012 509 N HN 0.308 nan 8.380 nan 0.000 0.423 510 I N -1.132 119.231 120.570 -0.345 0.000 2.406 510 I HA -0.103 4.075 4.170 0.012 0.000 0.249 510 I C 1.640 177.668 176.117 -0.148 0.000 1.122 510 I CA 0.782 61.922 61.300 -0.266 0.000 1.431 510 I CB -0.263 37.377 38.000 -0.599 0.000 1.087 510 I HN -0.033 nan 8.210 nan 0.000 0.424 511 I N 1.903 122.332 120.570 -0.236 0.000 2.113 511 I HA -0.354 3.823 4.170 0.012 0.000 0.242 511 I C 2.832 179.003 176.117 0.090 0.000 1.064 511 I CA 2.037 63.329 61.300 -0.013 0.000 1.320 511 I CB -1.649 36.373 38.000 0.037 0.000 1.028 511 I HN 0.547 nan 8.210 nan 0.000 0.406 512 Q N 0.738 120.588 119.800 0.083 0.000 2.096 512 Q HA -0.243 4.104 4.340 0.012 0.000 0.204 512 Q C 1.980 178.077 176.000 0.161 0.000 0.982 512 Q CA 1.862 57.739 55.803 0.123 0.000 0.850 512 Q CB -0.011 28.809 28.738 0.136 0.000 0.901 512 Q HN 0.468 nan 8.270 nan 0.000 0.422 513 N N 0.470 119.275 118.700 0.174 0.000 2.149 513 N HA -0.141 4.606 4.740 0.012 0.000 0.188 513 N C 1.805 177.422 175.510 0.178 0.000 1.019 513 N CA 1.013 54.178 53.050 0.193 0.000 0.857 513 N CB -0.289 38.297 38.487 0.164 0.000 0.997 513 N HN 0.283 nan 8.380 nan 0.000 0.426 514 L N 0.950 122.258 121.223 0.142 0.000 2.017 514 L HA -0.150 4.197 4.340 0.012 0.000 0.208 514 L C 2.215 179.127 176.870 0.071 0.000 1.073 514 L CA 1.223 56.136 54.840 0.121 0.000 0.745 514 L CB -0.293 41.871 42.059 0.175 0.000 0.894 514 L HN 0.144 nan 8.230 nan 0.000 0.432 515 K N -0.478 119.954 120.400 0.053 0.000 2.002 515 K HA -0.221 4.106 4.320 0.012 0.000 0.209 515 K C 2.120 178.747 176.600 0.045 0.000 1.048 515 K CA 1.756 58.034 56.287 -0.016 0.000 0.930 515 K CB -0.409 32.079 32.500 -0.020 0.000 0.714 515 K HN 0.082 nan 8.250 nan 0.000 0.438 516 F N 1.734 121.672 119.950 -0.019 0.000 2.095 516 F HA -0.295 4.239 4.527 0.012 0.000 0.298 516 F C 2.745 178.535 175.800 -0.017 0.000 1.104 516 F CA 1.632 59.625 58.000 -0.012 0.000 1.232 516 F CB -0.366 38.645 39.000 0.019 0.000 0.987 516 F HN -0.041 nan 8.300 nan 0.000 0.475 517 S N -0.475 115.312 115.700 0.144 0.000 2.365 517 S HA -0.333 4.144 4.470 0.012 0.000 0.225 517 S C 1.973 176.528 174.600 -0.075 0.000 1.039 517 S CA 1.910 60.134 58.200 0.039 0.000 1.033 517 S CB -0.429 62.816 63.200 0.076 0.000 0.887 517 S HN 0.557 nan 8.310 nan 0.000 0.447 518 Q N 0.562 120.322 119.800 -0.066 0.000 2.096 518 Q HA 0.133 4.480 4.340 0.012 0.000 0.197 518 Q C 2.321 178.244 176.000 -0.129 0.000 0.964 518 Q CA 1.559 57.312 55.803 -0.084 0.000 0.838 518 Q CB -0.725 27.968 28.738 -0.075 0.000 0.906 518 Q HN 0.437 nan 8.270 nan 0.000 0.444 519 S N 0.243 115.846 115.700 -0.163 0.000 2.368 519 S HA -0.237 4.240 4.470 0.012 0.000 0.226 519 S C 1.711 176.163 174.600 -0.247 0.000 1.044 519 S CA 1.584 59.664 58.200 -0.200 0.000 1.062 519 S CB -0.284 62.782 63.200 -0.224 0.000 0.931 519 S HN 0.358 nan 8.310 nan 0.000 0.440 520 K N 0.316 120.508 120.400 -0.347 0.000 2.020 520 K HA -0.224 4.103 4.320 0.012 0.000 0.212 520 K C 2.384 178.855 176.600 -0.215 0.000 1.050 520 K CA 1.897 57.984 56.287 -0.334 0.000 0.929 520 K CB -0.313 31.965 32.500 -0.370 0.000 0.714 520 K HN 0.214 nan 8.250 nan 0.000 0.443 521 Q N 1.017 120.715 119.800 -0.170 0.000 2.046 521 Q HA -0.091 4.257 4.340 0.012 0.000 0.200 521 Q C 2.017 177.927 176.000 -0.151 0.000 0.975 521 Q CA 1.586 57.306 55.803 -0.138 0.000 0.836 521 Q CB -0.248 28.444 28.738 -0.076 0.000 0.896 521 Q HN 0.410 nan 8.270 nan 0.000 0.428 522 L N 0.374 121.522 121.223 -0.125 0.000 2.201 522 L HA -0.061 4.286 4.340 0.012 0.000 0.212 522 L C 2.133 178.926 176.870 -0.128 0.000 1.105 522 L CA 1.796 56.569 54.840 -0.111 0.000 0.775 522 L CB -1.188 40.813 42.059 -0.097 0.000 0.913 522 L HN 0.286 nan 8.230 nan 0.000 0.440 523 K N 1.462 121.778 120.400 -0.141 0.000 2.525 523 K HA -0.068 4.259 4.320 0.012 0.000 0.192 523 K C 1.528 178.051 176.600 -0.129 0.000 1.029 523 K CA 0.558 56.772 56.287 -0.123 0.000 1.029 523 K CB 0.032 32.459 32.500 -0.123 0.000 0.814 523 K HN 0.245 nan 8.250 nan 0.000 0.503 524 K N 0.623 120.899 120.400 -0.208 0.000 2.432 524 K HA -0.036 4.291 4.320 0.012 0.000 0.196 524 K C 1.667 178.165 176.600 -0.170 0.000 1.038 524 K CA 0.195 56.295 56.287 -0.312 0.000 0.986 524 K CB -0.045 31.966 32.500 -0.815 0.000 0.782 524 K HN 0.067 nan 8.250 nan 0.000 0.485 525 L N 1.372 122.530 121.223 -0.107 0.000 1.997 525 L HA -0.232 4.115 4.340 0.012 0.000 0.216 525 L C 1.485 178.396 176.870 0.068 0.000 1.074 525 L CA 1.923 56.756 54.840 -0.012 0.000 0.763 525 L CB -0.050 41.983 42.059 -0.043 0.000 0.890 525 L HN 0.077 nan 8.230 nan 0.000 0.434 526 R N -0.318 120.204 120.500 0.037 0.000 2.359 526 R HA 0.237 4.584 4.340 0.012 0.000 0.231 526 R C 0.101 176.436 176.300 0.059 0.000 0.913 526 R CA -0.093 56.030 56.100 0.038 0.000 1.075 526 R CB -0.303 30.000 30.300 0.005 0.000 1.087 526 R HN 0.369 nan 8.270 nan 0.000 0.515 527 E N 1.452 121.720 120.200 0.113 0.000 2.283 527 E HA 0.234 4.591 4.350 0.012 0.000 0.267 527 E C 0.165 176.856 176.600 0.153 0.000 1.045 527 E CA -0.355 56.116 56.400 0.119 0.000 0.884 527 E CB 1.429 31.191 29.700 0.104 0.000 1.106 527 E HN -0.128 nan 8.360 nan 0.000 0.408 528 K N 0.265 120.699 120.400 0.056 0.000 2.149 528 K HA 0.205 4.533 4.320 0.012 0.000 0.245 528 K C -0.248 176.330 176.600 -0.037 0.000 1.024 528 K CA -0.466 55.804 56.287 -0.028 0.000 0.899 528 K CB 0.653 33.139 32.500 -0.024 0.000 1.038 528 K HN 0.202 nan 8.250 nan 0.000 0.496 529 V N 1.961 121.772 119.914 -0.172 0.000 2.508 529 V HA -0.033 4.094 4.120 0.012 0.000 0.281 529 V C 0.235 176.314 176.094 -0.024 0.000 1.041 529 V CA -0.452 61.786 62.300 -0.102 0.000 1.016 529 V CB 0.865 32.589 31.823 -0.165 0.000 0.984 529 V HN 0.656 nan 8.190 nan 0.000 0.478 530 D N 4.004 124.416 120.400 0.019 0.000 2.312 530 D HA 0.173 4.821 4.640 0.012 0.000 0.252 530 D C 0.749 177.046 176.300 -0.004 0.000 1.150 530 D CA -0.268 53.739 54.000 0.010 0.000 0.870 530 D CB 1.336 42.151 40.800 0.025 0.000 1.153 530 D HN 0.542 nan 8.370 nan 0.000 0.457 531 K N 2.325 122.716 120.400 -0.014 0.000 2.444 531 K HA 0.036 4.363 4.320 0.012 0.000 0.193 531 K C 0.538 177.127 176.600 -0.017 0.000 1.024 531 K CA -0.019 56.249 56.287 -0.032 0.000 1.077 531 K CB 0.619 33.095 32.500 -0.039 0.000 0.833 531 K HN 0.308 nan 8.250 nan 0.000 0.517 532 D N 1.718 122.129 120.400 0.018 0.000 2.269 532 D HA -0.068 4.579 4.640 0.012 0.000 0.208 532 D C 0.220 176.594 176.300 0.123 0.000 0.963 532 D CA 0.736 54.775 54.000 0.065 0.000 0.864 532 D CB 0.163 41.003 40.800 0.065 0.000 0.936 532 D HN 0.210 nan 8.370 nan 0.000 0.505 533 E N 0.104 120.351 120.200 0.077 0.000 2.316 533 E HA 0.033 4.390 4.350 0.012 0.000 0.275 533 E C -0.455 176.230 176.600 0.143 0.000 1.029 533 E CA -0.471 55.999 56.400 0.116 0.000 0.871 533 E CB 0.642 30.373 29.700 0.052 0.000 1.022 533 E HN -0.005 nan 8.360 nan 0.000 0.418 534 W N 3.634 124.893 121.300 -0.068 0.000 2.251 534 W HA 0.162 4.829 4.660 0.012 0.000 0.329 534 W C 1.210 177.648 176.519 -0.136 0.000 1.234 534 W CA -0.376 56.913 57.345 -0.094 0.000 1.228 534 W CB 0.335 29.752 29.460 -0.071 0.000 1.135 534 W HN 0.519 nan 8.180 nan 0.000 0.576 535 I N -0.074 120.467 120.570 -0.048 0.000 3.928 535 I HA 0.339 4.517 4.170 0.012 0.000 0.335 535 I C 0.279 176.195 176.117 -0.335 0.000 1.325 535 I CA 0.075 61.263 61.300 -0.186 0.000 1.107 535 I CB 0.123 37.961 38.000 -0.270 0.000 1.014 535 I HN 0.140 nan 8.210 nan 0.000 0.400 536 S N 0.184 115.777 115.700 -0.178 0.000 2.541 536 S HA 0.721 5.198 4.470 0.012 0.000 0.271 536 S C 0.054 174.682 174.600 0.047 0.000 1.133 536 S CA -0.254 57.812 58.200 -0.222 0.000 0.876 536 S CB 1.370 64.305 63.200 -0.442 0.000 1.105 536 S HN 0.424 nan 8.310 nan 0.000 0.470 537 G N 1.270 110.069 108.800 -0.003 0.000 2.651 537 G HA2 0.504 4.472 3.960 0.012 0.000 0.260 537 G HA3 0.504 4.472 3.960 0.012 0.000 0.260 537 G C 1.082 175.998 174.900 0.027 0.000 1.216 537 G CA 0.009 45.111 45.100 0.002 0.000 0.913 537 G HN 1.145 nan 8.290 nan 0.000 0.535 538 A N -0.072 122.738 122.820 -0.016 0.000 2.021 538 A HA 0.455 4.782 4.320 0.012 0.000 0.216 538 A C 1.934 179.472 177.584 -0.078 0.000 1.163 538 A CA 1.491 53.531 52.037 0.005 0.000 0.676 538 A CB -0.173 18.835 19.000 0.014 0.000 0.818 538 A HN 1.399 nan 8.150 nan 0.000 0.453 539 A N 0.535 123.243 122.820 -0.187 0.000 3.126 539 A HA 0.545 4.872 4.320 0.012 0.000 0.268 539 A C -0.551 176.830 177.584 -0.338 0.000 1.605 539 A CA -0.113 51.609 52.037 -0.525 0.000 1.305 539 A CB -0.687 18.032 19.000 -0.468 0.000 1.160 539 A HN 0.393 nan 8.150 nan 0.000 0.609 540 V N 1.098 120.874 119.914 -0.229 0.000 2.752 540 V HA 0.135 4.263 4.120 0.012 0.000 0.302 540 V C -0.385 175.662 176.094 -0.080 0.000 1.133 540 V CA -0.579 61.672 62.300 -0.082 0.000 0.919 540 V CB 2.119 33.987 31.823 0.075 0.000 1.026 540 V HN 0.190 nan 8.190 nan 0.000 0.429 541 V N 5.373 125.208 119.914 -0.131 0.000 2.267 541 V HA 0.507 4.634 4.120 0.012 0.000 0.254 541 V C 0.173 176.189 176.094 -0.130 0.000 1.144 541 V CA 0.319 62.492 62.300 -0.211 0.000 0.992 541 V CB -0.234 31.344 31.823 -0.408 0.000 1.199 541 V HN 0.903 nan 8.190 nan 0.000 0.493 542 N N 2.012 120.678 118.700 -0.056 0.000 3.356 542 N HA 0.756 5.503 4.740 0.012 0.000 0.246 542 N C -1.376 173.995 175.510 -0.232 0.000 1.480 542 N CA 0.173 53.161 53.050 -0.102 0.000 0.877 542 N CB 2.179 40.552 38.487 -0.189 0.000 1.431 542 N HN 0.489 nan 8.380 nan 0.000 0.500 543 A N 0.090 122.595 122.820 -0.525 0.000 2.593 543 A HA 0.865 5.193 4.320 0.012 0.000 0.290 543 A C -1.926 175.149 177.584 -0.849 0.000 1.126 543 A CA -0.395 51.343 52.037 -0.498 0.000 0.695 543 A CB 1.032 19.896 19.000 -0.227 0.000 1.290 543 A HN 0.351 nan 8.150 nan 0.000 0.414 544 F N -0.787 119.034 119.950 -0.216 0.000 2.601 544 F HA 0.580 5.114 4.527 0.012 0.000 0.309 544 F C -0.909 174.806 175.800 -0.142 0.000 1.089 544 F CA -0.393 57.521 58.000 -0.143 0.000 0.940 544 F CB 2.105 41.012 39.000 -0.155 0.000 1.273 544 F HN 0.633 nan 8.300 nan 0.000 0.450 545 Y N 1.423 121.699 120.300 -0.040 0.000 2.350 545 Y HA 0.597 5.155 4.550 0.012 0.000 0.338 545 Y C -0.698 175.126 175.900 -0.127 0.000 0.961 545 Y CA -0.865 57.174 58.100 -0.103 0.000 1.100 545 Y CB 1.869 40.277 38.460 -0.087 0.000 1.179 545 Y HN 0.532 nan 8.280 nan 0.000 0.454 546 S N 3.467 118.651 115.700 -0.860 0.000 2.433 546 S HA 0.315 4.792 4.470 0.012 0.000 0.310 546 S C 0.579 174.507 174.600 -1.122 0.000 1.097 546 S CA 0.022 57.778 58.200 -0.741 0.000 1.103 546 S CB 0.761 63.679 63.200 -0.469 0.000 0.992 546 S HN 0.855 nan 8.310 nan 0.000 0.469 547 S N 3.952 119.172 115.700 -0.799 0.000 2.425 547 S HA 0.095 4.572 4.470 0.012 0.000 0.225 547 S C 1.964 176.246 174.600 -0.529 0.000 1.024 547 S CA 0.611 58.426 58.200 -0.641 0.000 0.951 547 S CB -0.864 61.904 63.200 -0.720 0.000 0.796 547 S HN 0.866 nan 8.310 nan 0.000 0.498 548 G N 1.601 110.114 108.800 -0.477 0.000 2.432 548 G HA2 -0.088 3.879 3.960 0.012 0.000 0.219 548 G HA3 -0.088 3.879 3.960 0.012 0.000 0.219 548 G C 1.665 176.455 174.900 -0.184 0.000 1.135 548 G CA 0.230 45.192 45.100 -0.231 0.000 0.767 548 G HN 0.525 nan 8.290 nan 0.000 0.550 549 R N -0.535 119.803 120.500 -0.270 0.000 2.334 549 R HA 0.184 4.532 4.340 0.012 0.000 0.212 549 R C 0.769 176.918 176.300 -0.251 0.000 0.897 549 R CA 0.044 56.006 56.100 -0.230 0.000 1.056 549 R CB -0.050 30.102 30.300 -0.246 0.000 1.046 549 R HN 0.415 nan 8.270 nan 0.000 0.513 550 N N 2.269 120.768 118.700 -0.335 0.000 2.689 550 N HA -0.257 4.490 4.740 0.012 0.000 0.263 550 N C -0.963 174.401 175.510 -0.243 0.000 0.987 550 N CA 0.417 53.297 53.050 -0.284 0.000 0.782 550 N CB -0.228 38.206 38.487 -0.089 0.000 0.903 550 N HN 0.415 nan 8.380 nan 0.000 0.547 551 Q N 1.558 121.107 119.800 -0.418 0.000 2.359 551 Q HA 0.577 4.925 4.340 0.012 0.000 0.274 551 Q C -0.730 175.133 176.000 -0.228 0.000 1.074 551 Q CA -1.022 54.622 55.803 -0.265 0.000 0.810 551 Q CB 1.417 29.979 28.738 -0.294 0.000 1.342 551 Q HN 0.401 nan 8.270 nan 0.000 0.427 552 I N 0.343 120.850 120.570 -0.105 0.000 2.412 552 I HA 0.769 4.946 4.170 0.012 0.000 0.296 552 I C -0.949 174.981 176.117 -0.312 0.000 0.987 552 I CA -1.192 60.028 61.300 -0.134 0.000 1.180 552 I CB 1.826 39.866 38.000 0.068 0.000 1.340 552 I HN 0.350 nan 8.210 nan 0.000 0.455 553 V N 5.850 125.446 119.914 -0.529 0.000 2.588 553 V HA 0.482 4.609 4.120 0.012 0.000 0.304 553 V C -0.943 174.799 176.094 -0.587 0.000 1.042 553 V CA -0.380 61.664 62.300 -0.427 0.000 0.877 553 V CB 1.529 33.210 31.823 -0.236 0.000 0.996 553 V HN 0.600 nan 8.190 nan 0.000 0.425 554 F N 4.841 124.824 119.950 0.055 0.000 2.646 554 F HA 0.501 5.036 4.527 0.012 0.000 0.364 554 F C -2.515 173.355 175.800 0.117 0.000 1.137 554 F CA -2.355 55.689 58.000 0.073 0.000 1.085 554 F CB 1.639 40.643 39.000 0.006 0.000 1.331 554 F HN 0.299 nan 8.300 nan 0.000 0.472 555 P HA 0.055 nan 4.420 nan 0.000 0.268 555 P C 0.779 178.106 177.300 0.046 0.000 1.205 555 P CA 0.255 63.478 63.100 0.205 0.000 0.771 555 P CB 1.094 32.907 31.700 0.188 0.000 0.858 556 A N 4.205 126.942 122.820 -0.138 0.000 1.957 556 A HA -0.290 4.037 4.320 0.012 0.000 0.224 556 A C 2.375 179.938 177.584 -0.036 0.000 1.287 556 A CA 2.793 54.544 52.037 -0.477 0.000 0.682 556 A CB -2.122 16.552 19.000 -0.543 0.000 0.833 556 A HN 0.660 nan 8.150 nan 0.000 0.482 557 G N -1.178 107.648 108.800 0.043 0.000 2.450 557 G HA2 -0.140 3.827 3.960 0.012 0.000 0.220 557 G HA3 -0.140 3.827 3.960 0.012 0.000 0.220 557 G C 1.447 176.359 174.900 0.019 0.000 1.130 557 G CA 1.115 46.233 45.100 0.030 0.000 0.760 557 G HN 0.619 nan 8.290 nan 0.000 0.557 558 I N 0.226 120.784 120.570 -0.019 0.000 3.728 558 I HA 0.286 4.463 4.170 0.012 0.000 0.307 558 I C 0.573 176.695 176.117 0.009 0.000 1.276 558 I CA -0.040 61.182 61.300 -0.130 0.000 1.285 558 I CB 0.238 38.076 38.000 -0.270 0.000 1.038 558 I HN -0.047 nan 8.210 nan 0.000 0.445 559 L N 3.029 124.342 121.223 0.150 0.000 2.719 559 L HA 0.276 4.623 4.340 0.012 0.000 0.236 559 L C -0.321 176.826 176.870 0.461 0.000 1.285 559 L CA -0.084 54.941 54.840 0.307 0.000 1.222 559 L CB -0.630 41.615 42.059 0.310 0.000 1.493 559 L HN 0.343 nan 8.230 nan 0.000 0.415 560 Q N -0.461 119.575 119.800 0.393 0.000 2.630 560 Q HA 0.582 4.929 4.340 0.012 0.000 0.295 560 Q C -3.016 173.133 176.000 0.249 0.000 0.944 560 Q CA -2.236 53.745 55.803 0.296 0.000 0.766 560 Q CB 1.564 30.445 28.738 0.238 0.000 1.471 560 Q HN -0.145 nan 8.270 nan 0.000 0.416 561 P HA 0.070 nan 4.420 nan 0.000 0.269 561 P C -2.005 175.293 177.300 -0.004 0.000 1.209 561 P CA -0.843 62.270 63.100 0.022 0.000 0.776 561 P CB 0.221 31.904 31.700 -0.028 0.000 0.876 562 P HA 0.042 nan 4.420 nan 0.000 0.249 562 P C 0.802 177.968 177.300 -0.224 0.000 1.229 562 P CA 0.607 63.567 63.100 -0.234 0.000 0.788 562 P CB -0.043 31.446 31.700 -0.352 0.000 1.072 563 F N -0.165 119.783 119.950 -0.004 0.000 2.098 563 F HA 0.096 4.630 4.527 0.012 0.000 0.294 563 F C 1.285 177.166 175.800 0.134 0.000 1.107 563 F CA 1.234 59.262 58.000 0.047 0.000 1.234 563 F CB -0.408 38.642 39.000 0.083 0.000 1.002 563 F HN -0.155 nan 8.300 nan 0.000 0.472 564 F N -0.296 119.763 119.950 0.182 0.000 2.588 564 F HA 0.549 5.084 4.527 0.012 0.000 0.314 564 F C -0.644 175.198 175.800 0.071 0.000 1.134 564 F CA -1.185 56.870 58.000 0.092 0.000 0.961 564 F CB 1.679 40.737 39.000 0.096 0.000 1.239 564 F HN -0.287 nan 8.300 nan 0.000 0.448 565 S N 3.868 118.952 115.700 -1.027 0.000 2.543 565 S HA 0.649 5.126 4.470 0.012 0.000 0.271 565 S C 0.195 174.175 174.600 -1.033 0.000 1.148 565 S CA -0.002 57.584 58.200 -1.022 0.000 0.914 565 S CB 1.449 64.421 63.200 -0.380 0.000 1.096 565 S HN 1.246 nan 8.310 nan 0.000 0.471 566 A N 3.024 125.369 122.820 -0.791 0.000 2.125 566 A HA -0.012 4.316 4.320 0.012 0.000 0.219 566 A C 1.668 179.147 177.584 -0.175 0.000 1.156 566 A CA 1.513 53.370 52.037 -0.300 0.000 0.671 566 A CB -0.447 18.525 19.000 -0.047 0.000 0.794 566 A HN 0.753 nan 8.150 nan 0.000 0.459 567 Q N -0.499 119.185 119.800 -0.194 0.000 2.391 567 Q HA 0.066 4.413 4.340 0.012 0.000 0.211 567 Q C 1.222 177.164 176.000 -0.097 0.000 0.908 567 Q CA 0.696 56.436 55.803 -0.105 0.000 0.920 567 Q CB 0.098 28.787 28.738 -0.081 0.000 1.056 567 Q HN 0.925 nan 8.270 nan 0.000 0.523 568 Q N -0.471 119.238 119.800 -0.153 0.000 2.318 568 Q HA 0.369 4.717 4.340 0.012 0.000 0.222 568 Q C -0.526 175.420 176.000 -0.089 0.000 1.003 568 Q CA -0.440 55.294 55.803 -0.115 0.000 0.936 568 Q CB 0.735 29.389 28.738 -0.139 0.000 1.204 568 Q HN -0.103 nan 8.270 nan 0.000 0.524 569 S N 1.675 117.332 115.700 -0.073 0.000 2.562 569 S HA 0.016 4.493 4.470 0.012 0.000 0.281 569 S C 0.860 175.415 174.600 -0.075 0.000 1.333 569 S CA -0.580 57.583 58.200 -0.062 0.000 1.052 569 S CB 0.461 63.568 63.200 -0.155 0.000 0.884 569 S HN 0.627 nan 8.310 nan 0.000 0.506 570 N N 2.467 121.162 118.700 -0.008 0.000 2.104 570 N HA -0.154 4.593 4.740 0.012 0.000 0.190 570 N C 2.173 177.677 175.510 -0.011 0.000 1.024 570 N CA 1.587 54.657 53.050 0.033 0.000 0.853 570 N CB -0.605 37.843 38.487 -0.065 0.000 1.008 570 N HN 0.767 nan 8.380 nan 0.000 0.424 571 S N 1.756 117.279 115.700 -0.296 0.000 2.365 571 S HA -0.120 4.357 4.470 0.012 0.000 0.225 571 S C 2.189 176.633 174.600 -0.260 0.000 1.039 571 S CA 0.912 58.709 58.200 -0.673 0.000 1.033 571 S CB -0.876 61.975 63.200 -0.582 0.000 0.887 571 S HN 0.267 nan 8.310 nan 0.000 0.447 572 L N 1.551 122.657 121.223 -0.196 0.000 2.046 572 L HA -0.111 4.236 4.340 0.012 0.000 0.208 572 L C 2.761 179.579 176.870 -0.086 0.000 1.077 572 L CA 1.393 56.150 54.840 -0.138 0.000 0.747 572 L CB -0.982 41.003 42.059 -0.124 0.000 0.896 572 L HN 0.331 nan 8.230 nan 0.000 0.432 573 N N -0.265 118.410 118.700 -0.043 0.000 2.084 573 N HA -0.201 4.546 4.740 0.012 0.000 0.190 573 N C 1.842 177.360 175.510 0.014 0.000 1.030 573 N CA 1.582 54.642 53.050 0.015 0.000 0.849 573 N CB -0.397 38.094 38.487 0.006 0.000 1.012 573 N HN 0.332 nan 8.380 nan 0.000 0.423 574 Y N 0.407 120.705 120.300 -0.004 0.000 2.314 574 Y HA 0.057 4.614 4.550 0.012 0.000 0.293 574 Y C 2.425 178.397 175.900 0.119 0.000 1.129 574 Y CA 1.043 59.222 58.100 0.132 0.000 1.201 574 Y CB -0.339 38.241 38.460 0.200 0.000 0.999 574 Y HN 0.093 nan 8.280 nan 0.000 0.541 575 G N -1.074 107.636 108.800 -0.150 0.000 2.623 575 G HA2 0.061 4.029 3.960 0.012 0.000 0.214 575 G HA3 0.061 4.029 3.960 0.012 0.000 0.214 575 G C 1.561 176.340 174.900 -0.202 0.000 1.138 575 G CA 0.745 45.355 45.100 -0.818 0.000 0.794 575 G HN 0.485 nan 8.290 nan 0.000 0.535 576 G N 0.761 109.537 108.800 -0.040 0.000 2.543 576 G HA2 0.184 4.151 3.960 0.012 0.000 0.221 576 G HA3 0.184 4.151 3.960 0.012 0.000 0.221 576 G C 1.283 176.354 174.900 0.286 0.000 1.902 576 G CA 0.283 45.436 45.100 0.088 0.000 0.838 576 G HN 0.092 nan 8.290 nan 0.000 0.650 577 I N 2.117 122.853 120.570 0.277 0.000 2.394 577 I HA 0.066 4.243 4.170 0.012 0.000 0.251 577 I C 2.769 178.937 176.117 0.084 0.000 1.136 577 I CA 1.277 62.695 61.300 0.196 0.000 1.425 577 I CB -0.544 37.522 38.000 0.110 0.000 1.079 577 I HN 0.232 nan 8.210 nan 0.000 0.425 578 G N -0.019 108.821 108.800 0.067 0.000 2.421 578 G HA2 -0.290 3.678 3.960 0.012 0.000 0.216 578 G HA3 -0.290 3.678 3.960 0.012 0.000 0.216 578 G C 1.678 176.705 174.900 0.212 0.000 1.171 578 G CA 0.834 45.986 45.100 0.087 0.000 0.775 578 G HN 0.325 nan 8.290 nan 0.000 0.543 579 M N 0.863 120.619 119.600 0.260 0.000 2.149 579 M HA -0.085 4.402 4.480 0.012 0.000 0.261 579 M C 2.521 179.018 176.300 0.329 0.000 1.064 579 M CA 1.370 56.855 55.300 0.308 0.000 1.102 579 M CB -0.517 32.280 32.600 0.329 0.000 1.369 579 M HN 0.140 nan 8.290 nan 0.000 0.408 580 V N 0.831 120.929 119.914 0.306 0.000 2.307 580 V HA -0.282 3.845 4.120 0.012 0.000 0.245 580 V C 2.467 178.816 176.094 0.426 0.000 1.045 580 V CA 1.725 64.225 62.300 0.333 0.000 1.024 580 V CB -0.644 31.334 31.823 0.259 0.000 0.651 580 V HN 0.459 nan 8.190 nan 0.000 0.449 581 I N 0.954 121.704 120.570 0.300 0.000 2.208 581 I HA -0.189 3.989 4.170 0.012 0.000 0.245 581 I C 2.566 178.870 176.117 0.311 0.000 1.097 581 I CA 1.780 63.260 61.300 0.300 0.000 1.363 581 I CB -0.966 36.985 38.000 -0.082 0.000 1.051 581 I HN 0.408 nan 8.210 nan 0.000 0.413 582 G N -0.316 108.641 108.800 0.261 0.000 2.402 582 G HA2 -0.310 3.657 3.960 0.012 0.000 0.216 582 G HA3 -0.310 3.657 3.960 0.012 0.000 0.216 582 G C 1.432 176.460 174.900 0.213 0.000 1.162 582 G CA 1.101 46.341 45.100 0.233 0.000 0.777 582 G HN 0.402 nan 8.290 nan 0.000 0.539 583 H N 0.831 120.001 119.070 0.166 0.000 2.267 583 H HA -0.134 4.429 4.556 0.012 0.000 0.291 583 H C 2.494 177.824 175.328 0.003 0.000 1.094 583 H CA 2.338 58.429 56.048 0.071 0.000 1.227 583 H CB 0.139 30.002 29.762 0.168 0.000 1.351 583 H HN 0.236 nan 8.280 nan 0.000 0.483 584 E N 0.115 120.467 120.200 0.253 0.000 2.106 584 E HA -0.099 4.258 4.350 0.012 0.000 0.192 584 E C 2.704 179.342 176.600 0.063 0.000 0.984 584 E CA 1.039 57.590 56.400 0.252 0.000 0.806 584 E CB -0.238 29.605 29.700 0.239 0.000 0.750 584 E HN 0.604 nan 8.360 nan 0.000 0.458 585 I N 0.910 121.511 120.570 0.052 0.000 2.179 585 I HA -0.239 3.938 4.170 0.012 0.000 0.242 585 I C 2.156 178.155 176.117 -0.196 0.000 1.088 585 I CA 1.299 62.546 61.300 -0.088 0.000 1.357 585 I CB -0.341 37.608 38.000 -0.085 0.000 1.051 585 I HN 0.040 nan 8.210 nan 0.000 0.409 586 T N -0.777 113.694 114.554 -0.138 0.000 2.929 586 T HA -0.177 4.180 4.350 0.012 0.000 0.271 586 T C 1.745 176.352 174.700 -0.153 0.000 1.085 586 T CA 1.004 63.044 62.100 -0.101 0.000 1.125 586 T CB -0.381 68.474 68.868 -0.022 0.000 0.874 586 T HN 0.333 nan 8.240 nan 0.000 0.494 587 H N 0.423 119.300 119.070 -0.322 0.000 2.491 587 H HA 0.071 4.634 4.556 0.012 0.000 0.290 587 H C 2.523 177.468 175.328 -0.639 0.000 1.050 587 H CA 1.018 56.827 56.048 -0.398 0.000 1.309 587 H CB -0.496 29.020 29.762 -0.411 0.000 1.392 587 H HN 0.442 nan 8.280 nan 0.000 0.554 588 G N -0.908 107.321 108.800 -0.951 0.000 2.559 588 G HA2 -0.153 3.814 3.960 0.012 0.000 0.216 588 G HA3 -0.153 3.814 3.960 0.012 0.000 0.216 588 G C 0.544 175.013 174.900 -0.719 0.000 1.126 588 G CA 0.277 44.718 45.100 -1.100 0.000 0.778 588 G HN 0.274 nan 8.290 nan 0.000 0.543 589 F N 0.444 120.335 119.950 -0.098 0.000 2.815 589 F HA 0.239 4.773 4.527 0.012 0.000 0.323 589 F C 0.463 176.552 175.800 0.481 0.000 1.151 589 F CA -1.179 56.919 58.000 0.164 0.000 1.191 589 F CB 0.411 39.198 39.000 -0.355 0.000 1.069 589 F HN 0.035 nan 8.300 nan 0.000 0.514 590 D N -0.540 120.114 120.400 0.423 0.000 2.507 590 D HA 0.007 4.654 4.640 0.012 0.000 0.280 590 D C 1.166 177.679 176.300 0.355 0.000 1.219 590 D CA -0.143 54.167 54.000 0.517 0.000 1.085 590 D CB 0.274 41.260 40.800 0.310 0.000 1.134 590 D HN 0.102 nan 8.370 nan 0.000 0.583 591 D N -1.429 119.178 120.400 0.344 0.000 2.317 591 D HA -0.178 4.469 4.640 0.012 0.000 0.211 591 D C 1.013 177.352 176.300 0.065 0.000 0.966 591 D CA 0.455 54.591 54.000 0.226 0.000 0.876 591 D CB -0.296 40.640 40.800 0.227 0.000 0.927 591 D HN 0.494 nan 8.370 nan 0.000 0.519 592 N N 1.035 119.802 118.700 0.111 0.000 2.333 592 N HA -0.062 4.685 4.740 0.012 0.000 0.183 592 N C 2.114 177.771 175.510 0.244 0.000 1.030 592 N CA 1.152 54.290 53.050 0.147 0.000 0.867 592 N CB -0.155 38.416 38.487 0.141 0.000 1.027 592 N HN 0.185 nan 8.380 nan 0.000 0.435 593 G N 1.857 110.786 108.800 0.214 0.000 2.422 593 G HA2 -0.240 3.727 3.960 0.012 0.000 0.218 593 G HA3 -0.240 3.727 3.960 0.012 0.000 0.218 593 G C 1.679 176.740 174.900 0.267 0.000 1.140 593 G CA 0.667 45.926 45.100 0.265 0.000 0.775 593 G HN 0.568 nan 8.290 nan 0.000 0.545 594 R N 0.385 120.967 120.500 0.136 0.000 2.200 594 R HA -0.013 4.335 4.340 0.012 0.000 0.234 594 R C 1.517 177.825 176.300 0.015 0.000 1.127 594 R CA 1.462 57.642 56.100 0.134 0.000 0.989 594 R CB -0.500 29.607 30.300 -0.322 0.000 0.869 594 R HN 0.212 nan 8.270 nan 0.000 0.459 595 N N -0.175 118.511 118.700 -0.022 0.000 2.467 595 N HA 0.026 4.773 4.740 0.012 0.000 0.184 595 N C -0.591 174.829 175.510 -0.151 0.000 1.106 595 N CA 0.542 53.477 53.050 -0.193 0.000 0.892 595 N CB 0.162 38.473 38.487 -0.293 0.000 0.969 595 N HN 0.122 nan 8.380 nan 0.000 0.454 596 F N 1.052 121.117 119.950 0.193 0.000 2.458 596 F HA 0.272 4.806 4.527 0.012 0.000 0.330 596 F C 1.023 177.062 175.800 0.399 0.000 1.082 596 F CA -1.172 56.965 58.000 0.227 0.000 0.995 596 F CB 1.118 40.202 39.000 0.138 0.000 1.170 596 F HN -0.066 nan 8.300 nan 0.000 0.478 597 N N 1.378 120.340 118.700 0.437 0.000 2.566 597 N HA 0.248 4.996 4.740 0.012 0.000 0.299 597 N C 0.668 176.209 175.510 0.052 0.000 1.277 597 N CA -0.806 52.382 53.050 0.230 0.000 0.965 597 N CB 0.922 39.516 38.487 0.179 0.000 1.142 597 N HN 0.673 nan 8.380 nan 0.000 0.596 598 K N -0.921 119.424 120.400 -0.092 0.000 2.280 598 K HA -0.102 4.225 4.320 0.012 0.000 0.202 598 K C -0.199 176.377 176.600 -0.040 0.000 1.047 598 K CA 1.387 57.616 56.287 -0.096 0.000 0.942 598 K CB -0.069 32.350 32.500 -0.134 0.000 0.739 598 K HN 0.487 nan 8.250 nan 0.000 0.457 599 D N 0.294 120.690 120.400 -0.008 0.000 2.363 599 D HA 0.104 4.751 4.640 0.012 0.000 0.214 599 D C 0.725 177.037 176.300 0.020 0.000 1.093 599 D CA 0.690 54.687 54.000 -0.005 0.000 0.837 599 D CB 0.922 41.720 40.800 -0.004 0.000 0.948 599 D HN 0.504 nan 8.370 nan 0.000 0.507 600 G N 1.384 110.223 108.800 0.066 0.000 2.157 600 G HA2 -0.213 3.755 3.960 0.012 0.000 0.248 600 G HA3 -0.213 3.755 3.960 0.012 0.000 0.248 600 G C -0.159 174.905 174.900 0.274 0.000 0.979 600 G CA -0.245 44.921 45.100 0.110 0.000 0.650 600 G HN 0.200 nan 8.290 nan 0.000 0.529 601 D N 0.018 120.550 120.400 0.220 0.000 2.210 601 D HA 0.395 5.042 4.640 0.012 0.000 0.249 601 D C 0.548 176.908 176.300 0.100 0.000 1.078 601 D CA -0.513 53.587 54.000 0.167 0.000 0.875 601 D CB 1.665 42.503 40.800 0.063 0.000 1.175 601 D HN 0.180 nan 8.370 nan 0.000 0.440 602 L N 3.914 125.070 121.223 -0.112 0.000 2.536 602 L HA 0.248 4.596 4.340 0.012 0.000 0.282 602 L C -0.869 175.822 176.870 -0.297 0.000 1.147 602 L CA 0.298 54.820 54.840 -0.529 0.000 0.936 602 L CB -0.133 41.538 42.059 -0.646 0.000 1.279 602 L HN 0.092 nan 8.230 nan 0.000 0.461 603 V N 4.538 124.356 119.914 -0.160 0.000 2.924 603 V HA 0.333 4.460 4.120 0.012 0.000 0.300 603 V C -1.279 174.846 176.094 0.051 0.000 1.227 603 V CA -0.873 61.398 62.300 -0.048 0.000 0.954 603 V CB 2.224 34.058 31.823 0.019 0.000 1.055 603 V HN 0.691 nan 8.190 nan 0.000 0.429 604 D N 6.308 126.716 120.400 0.014 0.000 2.343 604 D HA 0.220 4.868 4.640 0.012 0.000 0.255 604 D C 0.422 176.818 176.300 0.160 0.000 1.187 604 D CA -0.250 53.756 54.000 0.009 0.000 0.875 604 D CB 0.664 41.455 40.800 -0.015 0.000 1.136 604 D HN 0.700 nan 8.370 nan 0.000 0.469 605 W N 3.113 124.541 121.300 0.213 0.000 2.599 605 W HA 0.295 4.962 4.660 0.012 0.000 0.396 605 W C -1.102 175.423 176.519 0.011 0.000 0.944 605 W CA -0.962 56.432 57.345 0.082 0.000 2.042 605 W CB -0.976 28.490 29.460 0.010 0.000 1.184 605 W HN 0.182 nan 8.180 nan 0.000 0.604 606 W N 2.884 124.113 121.300 -0.117 0.000 2.512 606 W HA 0.430 5.098 4.660 0.012 0.000 0.335 606 W C 0.879 177.395 176.519 -0.004 0.000 1.088 606 W CA -0.526 56.761 57.345 -0.097 0.000 1.236 606 W CB 1.196 30.484 29.460 -0.286 0.000 1.307 606 W HN -0.209 nan 8.180 nan 0.000 0.567 607 T N -0.955 113.739 114.554 0.234 0.000 2.913 607 T HA 0.107 4.465 4.350 0.012 0.000 0.297 607 T C 0.853 175.661 174.700 0.180 0.000 1.029 607 T CA -0.288 61.914 62.100 0.170 0.000 1.104 607 T CB 1.233 70.179 68.868 0.130 0.000 0.964 607 T HN 0.585 nan 8.240 nan 0.000 0.532 608 Q N 0.488 120.357 119.800 0.114 0.000 2.133 608 Q HA -0.246 4.101 4.340 0.012 0.000 0.208 608 Q C 2.380 178.441 176.000 0.102 0.000 0.991 608 Q CA 2.080 57.934 55.803 0.085 0.000 0.867 608 Q CB -0.257 28.514 28.738 0.055 0.000 0.911 608 Q HN 0.792 nan 8.270 nan 0.000 0.417 609 Q N -0.144 119.724 119.800 0.113 0.000 2.050 609 Q HA -0.098 4.249 4.340 0.012 0.000 0.202 609 Q C 2.075 178.187 176.000 0.186 0.000 0.980 609 Q CA 1.942 57.817 55.803 0.120 0.000 0.840 609 Q CB -0.288 28.513 28.738 0.104 0.000 0.898 609 Q HN 0.222 nan 8.270 nan 0.000 0.424 610 S N -0.119 115.736 115.700 0.259 0.000 2.368 610 S HA -0.085 4.392 4.470 0.012 0.000 0.224 610 S C 1.864 176.768 174.600 0.508 0.000 1.029 610 S CA 0.882 59.339 58.200 0.429 0.000 0.988 610 S CB -0.527 62.943 63.200 0.449 0.000 0.838 610 S HN 0.577 nan 8.310 nan 0.000 0.462 611 A N 1.093 124.126 122.820 0.354 0.000 1.908 611 A HA -0.128 4.199 4.320 0.012 0.000 0.218 611 A C 2.305 179.904 177.584 0.025 0.000 1.181 611 A CA 2.112 54.163 52.037 0.023 0.000 0.627 611 A CB -1.012 17.947 19.000 -0.069 0.000 0.818 611 A HN 0.543 nan 8.150 nan 0.000 0.445 612 S N -0.048 115.693 115.700 0.068 0.000 2.406 612 S HA -0.144 4.333 4.470 0.012 0.000 0.228 612 S C 1.763 176.378 174.600 0.025 0.000 1.020 612 S CA 1.371 59.589 58.200 0.029 0.000 0.965 612 S CB -0.564 62.655 63.200 0.031 0.000 0.798 612 S HN 0.594 nan 8.310 nan 0.000 0.488 613 N N 0.901 119.658 118.700 0.095 0.000 2.171 613 N HA 0.000 4.747 4.740 0.012 0.000 0.184 613 N C 1.329 176.747 175.510 -0.153 0.000 1.021 613 N CA 1.168 54.247 53.050 0.049 0.000 0.854 613 N CB -0.869 37.764 38.487 0.243 0.000 0.994 613 N HN 0.529 nan 8.380 nan 0.000 0.426 614 F N 2.242 122.051 119.950 -0.235 0.000 2.043 614 F HA -0.257 4.277 4.527 0.012 0.000 0.297 614 F C 2.094 177.634 175.800 -0.433 0.000 1.121 614 F CA 1.755 59.449 58.000 -0.511 0.000 1.199 614 F CB -0.127 38.638 39.000 -0.390 0.000 0.968 614 F HN -0.101 nan 8.300 nan 0.000 0.478 615 K N 0.008 120.362 120.400 -0.076 0.000 2.074 615 K HA -0.276 4.051 4.320 0.012 0.000 0.209 615 K C 2.165 178.596 176.600 -0.282 0.000 1.048 615 K CA 2.018 58.209 56.287 -0.159 0.000 0.926 615 K CB -0.382 32.073 32.500 -0.075 0.000 0.713 615 K HN 0.523 nan 8.250 nan 0.000 0.444 616 E N 0.288 120.335 120.200 -0.256 0.000 2.046 616 E HA -0.193 4.164 4.350 0.012 0.000 0.190 616 E C 1.965 178.353 176.600 -0.354 0.000 0.982 616 E CA 0.824 57.075 56.400 -0.247 0.000 0.800 616 E CB 0.201 29.804 29.700 -0.162 0.000 0.756 616 E HN 0.212 nan 8.360 nan 0.000 0.449 617 Q N 0.430 119.922 119.800 -0.512 0.000 2.084 617 Q HA -0.143 4.205 4.340 0.012 0.000 0.202 617 Q C 2.470 178.107 176.000 -0.604 0.000 0.978 617 Q CA 1.850 57.274 55.803 -0.631 0.000 0.844 617 Q CB -0.401 27.694 28.738 -1.072 0.000 0.898 617 Q HN 0.360 nan 8.270 nan 0.000 0.426 618 S N 0.176 115.437 115.700 -0.732 0.000 2.428 618 S HA -0.144 4.333 4.470 0.012 0.000 0.230 618 S C 1.925 176.260 174.600 -0.442 0.000 1.014 618 S CA 0.927 58.741 58.200 -0.643 0.000 0.957 618 S CB -0.108 62.590 63.200 -0.836 0.000 0.784 618 S HN 0.115 nan 8.310 nan 0.000 0.499 619 Q N 1.048 120.591 119.800 -0.428 0.000 2.197 619 Q HA -0.118 4.229 4.340 0.012 0.000 0.207 619 Q C 2.284 177.997 176.000 -0.478 0.000 0.984 619 Q CA 1.602 57.124 55.803 -0.468 0.000 0.869 619 Q CB -1.377 27.102 28.738 -0.431 0.000 0.906 619 Q HN 0.726 nan 8.270 nan 0.000 0.426 620 c N -0.792 117.622 118.600 -0.310 0.000 2.422 620 c HA -0.092 4.485 4.570 0.012 0.000 0.279 620 c C 2.367 176.390 174.090 -0.112 0.000 1.305 620 c CA 1.048 57.278 56.329 -0.165 0.000 1.757 620 c CB -0.767 41.657 42.510 -0.143 0.000 1.962 620 c HN 0.634 nan 8.230 nan 0.000 0.499 621 M N -0.442 119.074 119.600 -0.140 0.000 2.334 621 M HA -0.041 4.446 4.480 0.012 0.000 0.266 621 M C 2.040 178.336 176.300 -0.008 0.000 1.082 621 M CA 1.018 56.318 55.300 -0.000 0.000 1.141 621 M CB -0.208 32.355 32.600 -0.062 0.000 1.380 621 M HN 0.249 nan 8.290 nan 0.000 0.440 622 V N -0.199 119.610 119.914 -0.176 0.000 2.287 622 V HA -0.301 3.826 4.120 0.012 0.000 0.248 622 V C 2.155 178.212 176.094 -0.061 0.000 1.053 622 V CA 1.963 64.154 62.300 -0.181 0.000 1.027 622 V CB -0.916 30.708 31.823 -0.332 0.000 0.646 622 V HN 0.329 nan 8.190 nan 0.000 0.447 623 Y N 0.353 120.607 120.300 -0.077 0.000 2.133 623 Y HA -0.212 4.345 4.550 0.012 0.000 0.287 623 Y C 2.728 178.536 175.900 -0.154 0.000 1.134 623 Y CA 1.362 59.400 58.100 -0.104 0.000 1.133 623 Y CB -1.194 37.200 38.460 -0.110 0.000 0.987 623 Y HN 0.302 nan 8.280 nan 0.000 0.502 624 Q N -0.759 119.039 119.800 -0.002 0.000 2.077 624 Q HA -0.260 4.087 4.340 0.012 0.000 0.206 624 Q C 1.798 177.435 176.000 -0.605 0.000 0.989 624 Q CA 2.254 57.895 55.803 -0.269 0.000 0.853 624 Q CB -0.430 28.177 28.738 -0.219 0.000 0.907 624 Q HN 0.541 nan 8.270 nan 0.000 0.418 625 Y N -0.627 119.454 120.300 -0.366 0.000 2.314 625 Y HA 0.127 4.684 4.550 0.012 0.000 0.294 625 Y C 2.416 178.184 175.900 -0.221 0.000 1.119 625 Y CA 0.876 58.783 58.100 -0.322 0.000 1.179 625 Y CB -0.565 37.879 38.460 -0.028 0.000 1.025 625 Y HN 0.282 nan 8.280 nan 0.000 0.541 626 G N 0.097 108.925 108.800 0.047 0.000 2.517 626 G HA2 -0.302 3.665 3.960 0.012 0.000 0.222 626 G HA3 -0.302 3.665 3.960 0.012 0.000 0.222 626 G C 1.569 176.593 174.900 0.208 0.000 1.109 626 G CA 1.411 46.560 45.100 0.082 0.000 0.746 626 G HN 0.369 nan 8.290 nan 0.000 0.576 627 N N -0.538 118.162 118.700 -0.001 0.000 2.388 627 N HA 0.068 4.815 4.740 0.012 0.000 0.176 627 N C -0.184 175.240 175.510 -0.143 0.000 1.062 627 N CA -0.206 52.919 53.050 0.124 0.000 0.895 627 N CB 0.205 38.625 38.487 -0.112 0.000 1.018 627 N HN 0.137 nan 8.380 nan 0.000 0.456 628 F N 2.145 121.938 119.950 -0.261 0.000 2.607 628 F HA -0.015 4.519 4.527 0.012 0.000 0.374 628 F C 1.320 176.660 175.800 -0.766 0.000 1.104 628 F CA -0.633 57.031 58.000 -0.559 0.000 1.296 628 F CB 0.155 38.497 39.000 -1.097 0.000 1.085 628 F HN -0.149 nan 8.300 nan 0.000 0.584 629 S N 2.811 118.277 115.700 -0.390 0.000 2.501 629 S HA 0.527 5.005 4.470 0.012 0.000 0.301 629 S C -1.476 173.168 174.600 0.073 0.000 1.096 629 S CA -0.845 57.164 58.200 -0.318 0.000 1.063 629 S CB 1.514 64.537 63.200 -0.295 0.000 1.042 629 S HN 0.598 nan 8.310 nan 0.000 0.494 630 W N 4.611 125.860 121.300 -0.084 0.000 2.318 630 W HA 0.355 5.023 4.660 0.012 0.000 0.315 630 W C 0.276 176.813 176.519 0.030 0.000 1.033 630 W CA -1.686 55.705 57.345 0.076 0.000 1.275 630 W CB 0.877 30.359 29.460 0.036 0.000 1.250 630 W HN 0.946 nan 8.180 nan 0.000 0.421 631 D N 3.225 123.783 120.400 0.264 0.000 2.092 631 D HA -0.285 4.362 4.640 0.012 0.000 0.193 631 D C 1.795 177.974 176.300 -0.200 0.000 0.994 631 D CA 1.630 55.648 54.000 0.029 0.000 0.828 631 D CB -0.570 40.273 40.800 0.073 0.000 0.963 631 D HN 0.509 nan 8.370 nan 0.000 0.450 632 L N 0.083 121.037 121.223 -0.448 0.000 2.191 632 L HA -0.027 4.320 4.340 0.012 0.000 0.212 632 L C 2.285 178.762 176.870 -0.656 0.000 1.103 632 L CA 1.088 55.606 54.840 -0.535 0.000 0.769 632 L CB -0.383 41.336 42.059 -0.567 0.000 0.908 632 L HN 0.107 nan 8.230 nan 0.000 0.438 633 A N -0.329 121.961 122.820 -0.883 0.000 2.327 633 A HA 0.373 4.700 4.320 0.012 0.000 0.228 633 A C 1.507 178.915 177.584 -0.292 0.000 1.275 633 A CA 0.498 52.195 52.037 -0.566 0.000 0.875 633 A CB -0.617 18.077 19.000 -0.511 0.000 0.925 633 A HN 0.478 nan 8.150 nan 0.000 0.493 634 G N -1.767 106.891 108.800 -0.237 0.000 2.198 634 G HA2 0.135 4.103 3.960 0.012 0.000 0.257 634 G HA3 0.135 4.103 3.960 0.012 0.000 0.257 634 G C 1.396 176.248 174.900 -0.080 0.000 1.042 634 G CA 0.747 45.763 45.100 -0.141 0.000 0.791 634 G HN 2.113 nan 8.290 nan 0.000 0.502 635 G N -1.846 106.926 108.800 -0.047 0.000 2.176 635 G HA2 -0.246 3.721 3.960 0.012 0.000 0.253 635 G HA3 -0.246 3.721 3.960 0.012 0.000 0.253 635 G C 0.456 175.369 174.900 0.022 0.000 0.979 635 G CA 0.938 46.039 45.100 0.003 0.000 0.641 635 G HN 1.260 nan 8.290 nan 0.000 0.530 636 Q N 0.176 119.989 119.800 0.021 0.000 2.386 636 Q HA 0.350 4.698 4.340 0.012 0.000 0.282 636 Q C 0.334 176.386 176.000 0.087 0.000 1.050 636 Q CA 0.037 55.883 55.803 0.071 0.000 0.918 636 Q CB 0.361 29.128 28.738 0.048 0.000 1.266 636 Q HN 0.623 nan 8.270 nan 0.000 0.423 637 H N 0.468 119.559 119.070 0.036 0.000 2.707 637 H HA 0.143 4.706 4.556 0.012 0.000 0.359 637 H C -0.242 175.101 175.328 0.026 0.000 1.113 637 H CA -0.122 55.935 56.048 0.015 0.000 1.422 637 H CB 0.449 30.207 29.762 -0.007 0.000 1.443 637 H HN 0.380 nan 8.280 nan 0.000 0.591 638 L N 2.089 123.349 121.223 0.061 0.000 2.483 638 L HA -0.011 4.336 4.340 0.012 0.000 0.276 638 L C 1.065 177.983 176.870 0.079 0.000 1.213 638 L CA -0.063 54.805 54.840 0.046 0.000 0.843 638 L CB 0.144 42.186 42.059 -0.027 0.000 1.107 638 L HN 0.633 nan 8.230 nan 0.000 0.487 639 N N 1.541 120.274 118.700 0.055 0.000 2.405 639 N HA 0.026 4.774 4.740 0.012 0.000 0.260 639 N C 0.850 176.366 175.510 0.010 0.000 1.152 639 N CA 0.353 53.425 53.050 0.035 0.000 0.948 639 N CB 1.655 40.158 38.487 0.027 0.000 1.111 639 N HN 0.773 nan 8.380 nan 0.000 0.485 640 G N 3.773 112.580 108.800 0.011 0.000 2.448 640 G HA2 -0.133 3.834 3.960 0.012 0.000 0.218 640 G HA3 -0.133 3.834 3.960 0.012 0.000 0.218 640 G C 1.558 176.416 174.900 -0.068 0.000 1.135 640 G CA 0.395 45.486 45.100 -0.015 0.000 0.784 640 G HN 0.649 nan 8.290 nan 0.000 0.543 641 I N 0.918 121.455 120.570 -0.055 0.000 2.277 641 I HA -0.070 4.107 4.170 0.012 0.000 0.243 641 I C 2.143 178.225 176.117 -0.059 0.000 1.094 641 I CA 0.621 61.882 61.300 -0.066 0.000 1.393 641 I CB -0.082 37.889 38.000 -0.050 0.000 1.078 641 I HN 0.002 nan 8.210 nan 0.000 0.417 642 N N 0.222 118.897 118.700 -0.042 0.000 2.453 642 N HA -0.110 4.637 4.740 0.012 0.000 0.183 642 N C 1.667 177.140 175.510 -0.062 0.000 1.041 642 N CA 1.710 54.737 53.050 -0.039 0.000 0.900 642 N CB -0.458 38.018 38.487 -0.017 0.000 0.961 642 N HN 0.465 nan 8.380 nan 0.000 0.443 643 T N -2.357 112.146 114.554 -0.085 0.000 3.060 643 T HA 0.142 4.499 4.350 0.012 0.000 0.249 643 T C 1.755 176.354 174.700 -0.168 0.000 1.079 643 T CA -0.255 61.767 62.100 -0.129 0.000 1.013 643 T CB -0.105 68.674 68.868 -0.149 0.000 0.975 643 T HN -0.039 nan 8.240 nan 0.000 0.518 644 L N 2.527 123.665 121.223 -0.142 0.000 2.043 644 L HA 0.152 4.499 4.340 0.012 0.000 0.212 644 L C 2.517 179.324 176.870 -0.105 0.000 1.075 644 L CA 2.232 56.976 54.840 -0.159 0.000 0.752 644 L CB -1.159 40.828 42.059 -0.121 0.000 0.891 644 L HN 0.359 nan 8.230 nan 0.000 0.432 645 G N -1.324 107.455 108.800 -0.036 0.000 2.421 645 G HA2 -0.225 3.743 3.960 0.012 0.000 0.216 645 G HA3 -0.225 3.743 3.960 0.012 0.000 0.216 645 G C 1.432 176.357 174.900 0.043 0.000 1.171 645 G CA 0.647 45.776 45.100 0.047 0.000 0.775 645 G HN 0.430 nan 8.290 nan 0.000 0.543 646 E N 1.080 121.288 120.200 0.013 0.000 2.106 646 E HA -0.074 4.283 4.350 0.012 0.000 0.192 646 E C 2.418 179.036 176.600 0.030 0.000 0.984 646 E CA 0.609 57.058 56.400 0.082 0.000 0.806 646 E CB -0.261 29.434 29.700 -0.008 0.000 0.750 646 E HN 0.328 nan 8.360 nan 0.000 0.458 647 N N 0.811 119.429 118.700 -0.138 0.000 2.216 647 N HA -0.056 4.691 4.740 0.012 0.000 0.183 647 N C 2.080 177.549 175.510 -0.067 0.000 1.017 647 N CA 0.549 53.456 53.050 -0.238 0.000 0.861 647 N CB -0.210 37.816 38.487 -0.769 0.000 0.986 647 N HN 0.193 nan 8.380 nan 0.000 0.428 648 I N 1.146 121.687 120.570 -0.049 0.000 2.226 648 I HA -0.224 3.953 4.170 0.012 0.000 0.245 648 I C 2.211 178.387 176.117 0.099 0.000 1.100 648 I CA 1.006 62.338 61.300 0.054 0.000 1.374 648 I CB -0.171 37.896 38.000 0.113 0.000 1.057 648 I HN 0.064 nan 8.210 nan 0.000 0.413 649 A N 0.025 122.813 122.820 -0.052 0.000 1.969 649 A HA -0.191 4.136 4.320 0.012 0.000 0.218 649 A C 1.918 179.581 177.584 0.131 0.000 1.169 649 A CA 1.723 53.607 52.037 -0.255 0.000 0.635 649 A CB -0.432 17.804 19.000 -1.273 0.000 0.810 649 A HN 0.314 nan 8.150 nan 0.000 0.445 650 D N 0.086 120.662 120.400 0.292 0.000 2.097 650 D HA -0.103 4.544 4.640 0.012 0.000 0.197 650 D C 1.744 178.218 176.300 0.290 0.000 0.984 650 D CA 0.983 55.215 54.000 0.387 0.000 0.826 650 D CB -0.359 40.652 40.800 0.352 0.000 0.973 650 D HN 0.411 nan 8.370 nan 0.000 0.460 651 N N 0.390 119.227 118.700 0.228 0.000 2.142 651 N HA -0.082 4.665 4.740 0.012 0.000 0.186 651 N C 1.947 177.582 175.510 0.209 0.000 1.023 651 N CA 1.169 54.336 53.050 0.195 0.000 0.852 651 N CB -0.168 38.420 38.487 0.167 0.000 0.998 651 N HN 0.173 nan 8.380 nan 0.000 0.424 652 G N 0.497 109.449 108.800 0.254 0.000 2.402 652 G HA2 -0.157 3.810 3.960 0.012 0.000 0.216 652 G HA3 -0.157 3.810 3.960 0.012 0.000 0.216 652 G C 1.545 176.611 174.900 0.277 0.000 1.162 652 G CA 1.046 46.334 45.100 0.313 0.000 0.777 652 G HN 0.393 nan 8.290 nan 0.000 0.539 653 G N 0.579 109.535 108.800 0.260 0.000 2.408 653 G HA2 -0.076 3.891 3.960 0.012 0.000 0.217 653 G HA3 -0.076 3.891 3.960 0.012 0.000 0.217 653 G C 1.726 176.793 174.900 0.277 0.000 1.150 653 G CA 0.908 46.172 45.100 0.274 0.000 0.776 653 G HN 0.378 nan 8.290 nan 0.000 0.542 654 L N 1.336 122.697 121.223 0.231 0.000 2.056 654 L HA 0.209 4.556 4.340 0.012 0.000 0.207 654 L C 2.815 179.840 176.870 0.258 0.000 1.078 654 L CA 2.149 57.093 54.840 0.173 0.000 0.749 654 L CB -0.801 41.201 42.059 -0.094 0.000 0.901 654 L HN 0.164 nan 8.230 nan 0.000 0.433 655 G N -1.605 107.328 108.800 0.222 0.000 2.421 655 G HA2 -0.286 3.681 3.960 0.012 0.000 0.216 655 G HA3 -0.286 3.681 3.960 0.012 0.000 0.216 655 G C 1.452 176.499 174.900 0.246 0.000 1.171 655 G CA 0.734 45.970 45.100 0.226 0.000 0.775 655 G HN 0.462 nan 8.290 nan 0.000 0.543 656 Q N 0.203 120.153 119.800 0.250 0.000 2.096 656 Q HA -0.122 4.226 4.340 0.012 0.000 0.208 656 Q C 2.886 179.047 176.000 0.267 0.000 0.993 656 Q CA 2.018 57.969 55.803 0.248 0.000 0.862 656 Q CB -0.289 28.610 28.738 0.269 0.000 0.915 656 Q HN 0.501 nan 8.270 nan 0.000 0.416 657 A N -0.887 122.134 122.820 0.335 0.000 1.970 657 A HA -0.144 4.183 4.320 0.012 0.000 0.216 657 A C 1.786 179.594 177.584 0.373 0.000 1.170 657 A CA 0.813 53.109 52.037 0.432 0.000 0.645 657 A CB -0.629 18.681 19.000 0.517 0.000 0.816 657 A HN 0.464 nan 8.150 nan 0.000 0.447 658 Y N 0.841 121.157 120.300 0.027 0.000 2.145 658 Y HA -0.194 4.363 4.550 0.012 0.000 0.286 658 Y C 2.492 178.282 175.900 -0.184 0.000 1.145 658 Y CA 1.998 59.831 58.100 -0.445 0.000 1.148 658 Y CB -0.323 37.865 38.460 -0.453 0.000 0.981 658 Y HN 0.260 nan 8.280 nan 0.000 0.507 659 R N -0.537 119.977 120.500 0.023 0.000 2.120 659 R HA -0.136 4.211 4.340 0.012 0.000 0.234 659 R C 2.388 178.659 176.300 -0.049 0.000 1.123 659 R CA 1.043 57.123 56.100 -0.035 0.000 0.975 659 R CB -0.496 29.840 30.300 0.059 0.000 0.866 659 R HN 0.390 nan 8.270 nan 0.000 0.446 660 A N -0.014 122.836 122.820 0.050 0.000 1.968 660 A HA -0.164 4.163 4.320 0.012 0.000 0.217 660 A C 1.829 179.316 177.584 -0.162 0.000 1.169 660 A CA 0.766 52.864 52.037 0.102 0.000 0.638 660 A CB -0.444 18.761 19.000 0.342 0.000 0.812 660 A HN 0.376 nan 8.150 nan 0.000 0.446 661 Y N 0.543 120.498 120.300 -0.576 0.000 2.220 661 Y HA -0.164 4.394 4.550 0.012 0.000 0.291 661 Y C 2.447 178.053 175.900 -0.490 0.000 1.129 661 Y CA 1.911 59.473 58.100 -0.897 0.000 1.161 661 Y CB -0.581 37.413 38.460 -0.777 0.000 0.997 661 Y HN 0.433 nan 8.280 nan 0.000 0.522 662 Q N -0.123 119.344 119.800 -0.555 0.000 2.045 662 Q HA -0.250 4.098 4.340 0.012 0.000 0.206 662 Q C 1.899 177.705 176.000 -0.325 0.000 0.991 662 Q CA 1.807 57.312 55.803 -0.496 0.000 0.851 662 Q CB -0.278 28.218 28.738 -0.404 0.000 0.911 662 Q HN 0.456 nan 8.270 nan 0.000 0.418 663 N N -0.243 118.332 118.700 -0.207 0.000 2.289 663 N HA -0.177 4.570 4.740 0.012 0.000 0.184 663 N C 1.354 176.801 175.510 -0.105 0.000 1.016 663 N CA 1.019 53.998 53.050 -0.117 0.000 0.872 663 N CB -0.318 38.149 38.487 -0.034 0.000 0.973 663 N HN 0.382 nan 8.380 nan 0.000 0.433 664 Y N 0.736 120.875 120.300 -0.269 0.000 2.220 664 Y HA 0.044 4.601 4.550 0.012 0.000 0.291 664 Y C 2.028 177.783 175.900 -0.241 0.000 1.129 664 Y CA 1.108 59.085 58.100 -0.205 0.000 1.161 664 Y CB -0.269 38.051 38.460 -0.233 0.000 0.997 664 Y HN -0.079 nan 8.280 nan 0.000 0.522 665 I N 0.627 120.967 120.570 -0.383 0.000 2.252 665 I HA -0.255 3.922 4.170 0.012 0.000 0.245 665 I C 2.585 178.498 176.117 -0.341 0.000 1.102 665 I CA 1.411 62.452 61.300 -0.431 0.000 1.385 665 I CB -0.435 37.285 38.000 -0.468 0.000 1.064 665 I HN 0.130 nan 8.210 nan 0.000 0.414 666 K N 1.220 121.455 120.400 -0.276 0.000 2.089 666 K HA -0.314 4.013 4.320 0.012 0.000 0.210 666 K C 2.165 178.649 176.600 -0.193 0.000 1.048 666 K CA 2.174 58.342 56.287 -0.198 0.000 0.926 666 K CB -0.064 32.342 32.500 -0.156 0.000 0.714 666 K HN 0.178 nan 8.250 nan 0.000 0.448 667 K N -0.382 119.880 120.400 -0.230 0.000 2.186 667 K HA -0.006 4.321 4.320 0.012 0.000 0.202 667 K C 1.124 177.580 176.600 -0.239 0.000 1.052 667 K CA 1.350 57.520 56.287 -0.196 0.000 0.965 667 K CB 0.273 32.678 32.500 -0.157 0.000 0.746 667 K HN 0.151 nan 8.250 nan 0.000 0.457 668 N N -0.149 118.318 118.700 -0.388 0.000 2.181 668 N HA 0.136 4.884 4.740 0.012 0.000 0.207 668 N C -0.090 175.257 175.510 -0.272 0.000 1.182 668 N CA 0.640 53.468 53.050 -0.371 0.000 0.893 668 N CB 1.475 39.596 38.487 -0.609 0.000 1.032 668 N HN 0.329 nan 8.380 nan 0.000 0.513 669 G N 1.758 110.402 108.800 -0.261 0.000 2.795 669 G HA2 -0.221 3.746 3.960 0.012 0.000 0.664 669 G HA3 -0.221 3.746 3.960 0.012 0.000 0.664 669 G C -0.765 174.063 174.900 -0.120 0.000 1.381 669 G CA -0.662 44.342 45.100 -0.161 0.000 0.853 669 G HN 0.226 nan 8.290 nan 0.000 0.545 670 E N 0.438 120.596 120.200 -0.070 0.000 2.392 670 E HA 0.403 4.761 4.350 0.012 0.000 0.256 670 E C 0.661 177.289 176.600 0.047 0.000 1.145 670 E CA -0.007 56.375 56.400 -0.029 0.000 0.929 670 E CB 0.455 30.119 29.700 -0.061 0.000 0.998 670 E HN 0.523 nan 8.360 nan 0.000 0.442 671 E N 1.469 121.742 120.200 0.121 0.000 2.248 671 E HA 0.216 4.573 4.350 0.012 0.000 0.272 671 E C -0.606 175.995 176.600 0.001 0.000 1.008 671 E CA -0.725 55.799 56.400 0.207 0.000 0.856 671 E CB 1.065 31.136 29.700 0.617 0.000 1.120 671 E HN 0.186 nan 8.360 nan 0.000 0.397 672 K N 1.799 122.258 120.400 0.097 0.000 2.382 672 K HA 0.125 4.452 4.320 0.012 0.000 0.275 672 K C 0.113 176.763 176.600 0.083 0.000 1.009 672 K CA -0.027 56.290 56.287 0.050 0.000 0.970 672 K CB 0.380 32.925 32.500 0.076 0.000 0.934 672 K HN 0.326 nan 8.250 nan 0.000 0.479 673 L N 2.356 123.592 121.223 0.022 0.000 2.475 673 L HA 0.278 4.625 4.340 0.012 0.000 0.253 673 L C 0.576 177.554 176.870 0.180 0.000 1.198 673 L CA -0.612 54.282 54.840 0.089 0.000 0.814 673 L CB 0.053 42.130 42.059 0.029 0.000 1.134 673 L HN 0.322 nan 8.230 nan 0.000 0.478 674 L N 2.149 123.501 121.223 0.215 0.000 2.334 674 L HA 0.393 4.740 4.340 0.012 0.000 0.277 674 L C -2.048 174.882 176.870 0.100 0.000 1.075 674 L CA -1.794 53.133 54.840 0.145 0.000 0.804 674 L CB 1.453 43.593 42.059 0.135 0.000 1.174 674 L HN 0.353 nan 8.230 nan 0.000 0.438 675 P HA 0.154 nan 4.420 nan 0.000 0.279 675 P C 0.514 177.846 177.300 0.052 0.000 1.239 675 P CA 0.189 63.322 63.100 0.056 0.000 0.789 675 P CB 1.372 33.099 31.700 0.043 0.000 0.933 676 G N 1.654 110.483 108.800 0.049 0.000 2.176 676 G HA2 -0.206 3.761 3.960 0.012 0.000 0.253 676 G HA3 -0.206 3.761 3.960 0.012 0.000 0.253 676 G C -0.331 174.602 174.900 0.055 0.000 0.979 676 G CA -0.184 44.943 45.100 0.044 0.000 0.641 676 G HN 0.495 nan 8.290 nan 0.000 0.530 677 L N 1.147 122.414 121.223 0.074 0.000 2.376 677 L HA 0.447 4.795 4.340 0.012 0.000 0.275 677 L C -0.850 176.087 176.870 0.112 0.000 0.987 677 L CA -0.942 53.956 54.840 0.096 0.000 0.828 677 L CB 1.845 43.971 42.059 0.112 0.000 1.249 677 L HN -0.082 nan 8.230 nan 0.000 0.409 678 D N 5.538 126.010 120.400 0.119 0.000 2.934 678 D HA 0.326 4.973 4.640 0.012 0.000 0.237 678 D C -0.437 175.955 176.300 0.154 0.000 1.158 678 D CA 0.512 54.584 54.000 0.120 0.000 0.971 678 D CB -0.003 40.863 40.800 0.110 0.000 1.123 678 D HN 0.213 nan 8.370 nan 0.000 0.467 679 L N 1.241 122.563 121.223 0.166 0.000 2.422 679 L HA 0.299 4.646 4.340 0.012 0.000 0.264 679 L C 0.277 177.254 176.870 0.177 0.000 0.984 679 L CA -1.224 53.731 54.840 0.191 0.000 0.819 679 L CB 2.032 44.252 42.059 0.268 0.000 1.330 679 L HN -0.018 nan 8.230 nan 0.000 0.410 680 N N -0.763 118.026 118.700 0.147 0.000 2.418 680 N HA 0.115 4.863 4.740 0.012 0.000 0.283 680 N C 0.535 176.233 175.510 0.313 0.000 1.267 680 N CA -0.215 52.931 53.050 0.160 0.000 0.975 680 N CB 0.339 38.876 38.487 0.084 0.000 1.167 680 N HN 0.436 nan 8.380 nan 0.000 0.581 681 H N -0.971 118.206 119.070 0.178 0.000 2.482 681 H HA 0.163 4.726 4.556 0.012 0.000 0.286 681 H C 1.117 176.626 175.328 0.301 0.000 1.017 681 H CA 1.000 57.193 56.048 0.241 0.000 1.322 681 H CB 0.097 30.053 29.762 0.323 0.000 1.426 681 H HN 0.565 nan 8.280 nan 0.000 0.546 682 K N 0.613 121.265 120.400 0.421 0.000 2.063 682 K HA -0.179 4.148 4.320 0.012 0.000 0.208 682 K C 1.973 178.830 176.600 0.429 0.000 1.048 682 K CA 1.437 57.978 56.287 0.423 0.000 0.928 682 K CB -0.114 32.588 32.500 0.336 0.000 0.713 682 K HN 0.426 nan 8.250 nan 0.000 0.442 683 Q N 0.930 120.891 119.800 0.267 0.000 2.050 683 Q HA -0.080 4.268 4.340 0.012 0.000 0.202 683 Q C 2.324 178.654 176.000 0.551 0.000 0.980 683 Q CA 1.149 57.109 55.803 0.263 0.000 0.840 683 Q CB -0.226 28.506 28.738 -0.009 0.000 0.898 683 Q HN 0.278 nan 8.270 nan 0.000 0.424 684 L N -0.145 121.317 121.223 0.399 0.000 2.083 684 L HA -0.183 4.165 4.340 0.012 0.000 0.209 684 L C 2.320 179.343 176.870 0.256 0.000 1.083 684 L CA 0.981 56.004 54.840 0.304 0.000 0.752 684 L CB -0.477 41.675 42.059 0.154 0.000 0.899 684 L HN 0.215 nan 8.230 nan 0.000 0.433 685 F N 0.545 120.533 119.950 0.064 0.000 2.087 685 F HA -0.324 4.211 4.527 0.012 0.000 0.299 685 F C 2.060 177.883 175.800 0.039 0.000 1.100 685 F CA 1.828 59.772 58.000 -0.094 0.000 1.226 685 F CB -0.331 38.527 39.000 -0.236 0.000 0.983 685 F HN -0.106 nan 8.300 nan 0.000 0.479 686 F N -0.526 119.732 119.950 0.514 0.000 2.335 686 F HA -0.060 4.475 4.527 0.012 0.000 0.296 686 F C 2.355 178.542 175.800 0.645 0.000 1.091 686 F CA 0.432 58.752 58.000 0.533 0.000 1.399 686 F CB -0.481 38.921 39.000 0.669 0.000 1.067 686 F HN -0.045 nan 8.300 nan 0.000 0.520 687 L N 0.368 122.087 121.223 0.827 0.000 1.997 687 L HA -0.347 4.000 4.340 0.012 0.000 0.216 687 L C 2.384 179.431 176.870 0.295 0.000 1.074 687 L CA 1.893 57.081 54.840 0.581 0.000 0.763 687 L CB -0.515 41.792 42.059 0.413 0.000 0.890 687 L HN 0.305 nan 8.230 nan 0.000 0.434 688 N N -0.774 118.024 118.700 0.163 0.000 2.207 688 N HA -0.215 4.532 4.740 0.012 0.000 0.182 688 N C 2.048 177.528 175.510 -0.049 0.000 1.020 688 N CA 0.938 53.978 53.050 -0.017 0.000 0.858 688 N CB -0.044 38.388 38.487 -0.093 0.000 0.991 688 N HN 0.267 nan 8.380 nan 0.000 0.427 689 F N 2.026 121.895 119.950 -0.134 0.000 2.063 689 F HA -0.324 4.210 4.527 0.012 0.000 0.298 689 F C 2.264 178.110 175.800 0.076 0.000 1.105 689 F CA 2.188 60.151 58.000 -0.062 0.000 1.215 689 F CB -0.381 38.606 39.000 -0.021 0.000 0.972 689 F HN 0.054 nan 8.300 nan 0.000 0.483 690 A N -0.463 122.378 122.820 0.035 0.000 1.929 690 A HA -0.170 4.158 4.320 0.012 0.000 0.216 690 A C 2.107 179.634 177.584 -0.094 0.000 1.176 690 A CA 1.514 53.545 52.037 -0.010 0.000 0.628 690 A CB -0.736 18.498 19.000 0.389 0.000 0.816 690 A HN 0.654 nan 8.150 nan 0.000 0.444 691 Q N -0.511 119.205 119.800 -0.140 0.000 2.378 691 Q HA -0.022 4.325 4.340 0.012 0.000 0.205 691 Q C 1.836 177.611 176.000 -0.375 0.000 0.954 691 Q CA 0.787 56.452 55.803 -0.231 0.000 0.901 691 Q CB -0.140 28.481 28.738 -0.195 0.000 0.981 691 Q HN 0.466 nan 8.270 nan 0.000 0.483 692 V N -0.552 119.055 119.914 -0.512 0.000 2.527 692 V HA -0.248 3.879 4.120 0.012 0.000 0.255 692 V C 0.814 176.374 176.094 -0.889 0.000 1.081 692 V CA 1.736 63.534 62.300 -0.837 0.000 1.092 692 V CB -0.325 30.863 31.823 -1.059 0.000 0.673 692 V HN 0.523 nan 8.190 nan 0.000 0.470 693 W N -2.843 118.300 121.300 -0.262 0.000 2.846 693 W HA 0.329 4.997 4.660 0.012 0.000 0.391 693 W C 0.765 177.213 176.519 -0.118 0.000 1.011 693 W CA -0.947 56.280 57.345 -0.197 0.000 1.832 693 W CB 0.063 29.405 29.460 -0.198 0.000 1.151 693 W HN 0.015 nan 8.180 nan 0.000 0.582 694 c N 2.384 120.903 118.600 -0.135 0.000 2.523 694 c HA 0.470 5.047 4.570 0.012 0.000 0.406 694 c C 1.153 174.811 174.090 -0.719 0.000 1.449 694 c CA 0.603 56.683 56.329 -0.416 0.000 1.588 694 c CB -1.176 40.910 42.510 -0.706 0.000 2.514 694 c HN 0.533 nan 8.230 nan 0.000 0.606 695 G N 2.273 110.801 108.800 -0.453 0.000 2.325 695 G HA2 0.565 4.532 3.960 0.012 0.000 0.297 695 G HA3 0.565 4.532 3.960 0.012 0.000 0.297 695 G C -1.179 173.856 174.900 0.225 0.000 1.448 695 G CA 0.263 45.182 45.100 -0.301 0.000 0.838 695 G HN 0.838 nan 8.290 nan 0.000 0.579 696 T N -1.448 113.285 114.554 0.299 0.000 2.762 696 T HA 0.773 5.130 4.350 0.012 0.000 0.301 696 T C -1.853 173.060 174.700 0.356 0.000 1.299 696 T CA -0.582 61.789 62.100 0.451 0.000 1.005 696 T CB 1.412 70.554 68.868 0.458 0.000 1.377 696 T HN 0.623 nan 8.240 nan 0.000 0.504 697 Y N 0.365 120.856 120.300 0.318 0.000 2.536 697 Y HA 0.620 5.177 4.550 0.012 0.000 0.347 697 Y C 0.703 176.719 175.900 0.194 0.000 1.000 697 Y CA -1.426 56.861 58.100 0.312 0.000 1.051 697 Y CB 1.705 40.392 38.460 0.379 0.000 1.259 697 Y HN 0.423 nan 8.280 nan 0.000 0.468 698 R N 3.023 123.722 120.500 0.333 0.000 2.491 698 R HA 0.099 4.446 4.340 0.012 0.000 0.283 698 R C -1.790 174.592 176.300 0.137 0.000 1.072 698 R CA -1.434 54.786 56.100 0.199 0.000 1.048 698 R CB 0.395 30.797 30.300 0.170 0.000 0.983 698 R HN 0.408 nan 8.270 nan 0.000 0.450 699 P HA -0.220 nan 4.420 nan 0.000 0.216 699 P C 0.385 177.637 177.300 -0.081 0.000 1.154 699 P CA 1.513 64.555 63.100 -0.096 0.000 0.865 699 P CB 0.299 31.948 31.700 -0.086 0.000 0.789 700 E N -1.242 118.959 120.200 0.001 0.000 2.085 700 E HA -0.208 4.149 4.350 0.012 0.000 0.194 700 E C 2.178 178.828 176.600 0.083 0.000 0.994 700 E CA 1.193 57.605 56.400 0.020 0.000 0.801 700 E CB -1.087 28.642 29.700 0.047 0.000 0.743 700 E HN 0.401 nan 8.360 nan 0.000 0.453 701 Y N 0.115 120.442 120.300 0.044 0.000 2.395 701 Y HA -0.043 4.514 4.550 0.012 0.000 0.293 701 Y C 2.132 178.108 175.900 0.127 0.000 1.123 701 Y CA 0.754 58.931 58.100 0.128 0.000 1.227 701 Y CB 0.036 38.650 38.460 0.256 0.000 1.012 701 Y HN 0.063 nan 8.280 nan 0.000 0.552 702 A N -0.557 122.207 122.820 -0.092 0.000 1.902 702 A HA -0.157 4.171 4.320 0.012 0.000 0.217 702 A C 2.224 179.568 177.584 -0.400 0.000 1.181 702 A CA 1.829 53.557 52.037 -0.514 0.000 0.623 702 A CB -1.220 17.141 19.000 -1.066 0.000 0.818 702 A HN 0.310 nan 8.150 nan 0.000 0.443 703 V N 1.332 121.079 119.914 -0.278 0.000 2.407 703 V HA -0.252 3.875 4.120 0.012 0.000 0.248 703 V C 2.565 178.646 176.094 -0.021 0.000 1.055 703 V CA 2.203 64.395 62.300 -0.180 0.000 1.049 703 V CB -0.947 30.748 31.823 -0.212 0.000 0.662 703 V HN 0.757 nan 8.190 nan 0.000 0.455 704 N N 0.623 119.325 118.700 0.003 0.000 2.142 704 N HA -0.152 4.596 4.740 0.012 0.000 0.186 704 N C 2.090 177.572 175.510 -0.046 0.000 1.023 704 N CA 2.180 55.274 53.050 0.073 0.000 0.852 704 N CB -0.136 38.341 38.487 -0.017 0.000 0.998 704 N HN 0.579 nan 8.380 nan 0.000 0.424 705 S N -0.122 115.432 115.700 -0.243 0.000 2.425 705 S HA 0.066 4.543 4.470 0.012 0.000 0.225 705 S C 2.170 176.796 174.600 0.044 0.000 1.024 705 S CA 0.027 58.116 58.200 -0.184 0.000 0.951 705 S CB -0.487 62.503 63.200 -0.351 0.000 0.796 705 S HN 0.367 nan 8.310 nan 0.000 0.498 706 I N 0.627 121.275 120.570 0.131 0.000 2.850 706 I HA -0.071 4.107 4.170 0.012 0.000 0.266 706 I C 1.490 177.674 176.117 0.112 0.000 1.257 706 I CA 0.982 62.393 61.300 0.184 0.000 1.465 706 I CB 0.013 38.173 38.000 0.266 0.000 1.091 706 I HN 0.223 nan 8.210 nan 0.000 0.467 707 K N -0.533 119.931 120.400 0.106 0.000 2.370 707 K HA 0.138 4.465 4.320 0.012 0.000 0.194 707 K C 1.704 178.355 176.600 0.085 0.000 1.070 707 K CA 1.246 57.596 56.287 0.106 0.000 0.998 707 K CB 0.171 32.764 32.500 0.156 0.000 0.911 707 K HN 0.374 nan 8.250 nan 0.000 0.533 708 T N -1.913 112.689 114.554 0.079 0.000 2.990 708 T HA 0.097 4.454 4.350 0.012 0.000 0.249 708 T C 0.568 175.321 174.700 0.087 0.000 1.039 708 T CA -0.193 61.954 62.100 0.078 0.000 1.036 708 T CB 0.269 69.187 68.868 0.083 0.000 0.994 708 T HN -0.184 nan 8.240 nan 0.000 0.489 709 D N 2.483 122.937 120.400 0.091 0.000 2.277 709 D HA 0.219 4.866 4.640 0.012 0.000 0.249 709 D C 1.571 177.909 176.300 0.064 0.000 1.134 709 D CA -0.251 53.828 54.000 0.132 0.000 0.863 709 D CB 2.112 43.011 40.800 0.166 0.000 1.143 709 D HN 0.133 nan 8.370 nan 0.000 0.458 710 V N 2.073 121.995 119.914 0.014 0.000 3.141 710 V HA 0.008 4.136 4.120 0.012 0.000 0.265 710 V C 0.366 176.323 176.094 -0.229 0.000 1.126 710 V CA 0.769 62.995 62.300 -0.123 0.000 1.141 710 V CB -1.044 30.672 31.823 -0.180 0.000 0.743 710 V HN 0.396 nan 8.190 nan 0.000 0.492 711 H N 0.568 119.627 119.070 -0.019 0.000 2.505 711 H HA 0.626 5.189 4.556 0.012 0.000 0.351 711 H C 0.637 175.884 175.328 -0.136 0.000 1.151 711 H CA -0.028 55.971 56.048 -0.082 0.000 1.339 711 H CB 0.836 30.516 29.762 -0.137 0.000 1.483 711 H HN 0.247 nan 8.280 nan 0.000 0.558 712 S N 3.214 118.875 115.700 -0.065 0.000 2.572 712 S HA 0.105 4.582 4.470 0.012 0.000 0.279 712 S C -2.161 172.271 174.600 -0.280 0.000 1.341 712 S CA -1.040 57.075 58.200 -0.141 0.000 1.043 712 S CB 0.216 63.401 63.200 -0.026 0.000 0.887 712 S HN 0.515 nan 8.310 nan 0.000 0.516 713 P HA 0.095 nan 4.420 nan 0.000 0.267 713 P C 1.122 178.103 177.300 -0.531 0.000 1.200 713 P CA -0.029 62.733 63.100 -0.563 0.000 0.772 713 P CB 0.208 31.140 31.700 -1.280 0.000 0.855 714 G N 3.039 111.577 108.800 -0.437 0.000 2.469 714 G HA2 -0.304 3.664 3.960 0.012 0.000 0.219 714 G HA3 -0.304 3.664 3.960 0.012 0.000 0.219 714 G C 1.282 175.807 174.900 -0.625 0.000 1.150 714 G CA 0.794 45.526 45.100 -0.613 0.000 0.763 714 G HN 0.662 nan 8.290 nan 0.000 0.561 715 N N 0.847 118.991 118.700 -0.928 0.000 2.166 715 N HA -0.122 4.625 4.740 0.012 0.000 0.186 715 N C 1.881 176.748 175.510 -1.072 0.000 1.019 715 N CA 1.315 53.415 53.050 -1.583 0.000 0.856 715 N CB -0.907 36.321 38.487 -2.099 0.000 0.993 715 N HN 0.418 nan 8.380 nan 0.000 0.426 716 F N 0.830 120.331 119.950 -0.747 0.000 2.558 716 F HA 0.225 4.759 4.527 0.012 0.000 0.298 716 F C 2.579 178.143 175.800 -0.393 0.000 1.119 716 F CA -0.002 57.548 58.000 -0.751 0.000 1.451 716 F CB 0.111 38.599 39.000 -0.853 0.000 1.091 716 F HN -0.067 nan 8.300 nan 0.000 0.563 717 R N 0.072 120.454 120.500 -0.196 0.000 2.062 717 R HA -0.115 4.233 4.340 0.012 0.000 0.229 717 R C 1.980 178.306 176.300 0.044 0.000 1.128 717 R CA 1.302 57.372 56.100 -0.050 0.000 0.960 717 R CB -0.558 29.554 30.300 -0.313 0.000 0.855 717 R HN 0.160 nan 8.270 nan 0.000 0.432 718 I N 1.159 121.688 120.570 -0.068 0.000 2.118 718 I HA -0.303 3.875 4.170 0.012 0.000 0.241 718 I C 2.301 178.465 176.117 0.077 0.000 1.070 718 I CA 1.602 62.959 61.300 0.095 0.000 1.327 718 I CB -0.471 37.619 38.000 0.150 0.000 1.034 718 I HN 0.130 nan 8.210 nan 0.000 0.405 719 I N -0.194 120.331 120.570 -0.075 0.000 2.333 719 I HA -0.135 4.042 4.170 0.012 0.000 0.246 719 I C 2.640 178.698 176.117 -0.099 0.000 1.106 719 I CA 1.227 62.462 61.300 -0.109 0.000 1.411 719 I CB -0.998 36.906 38.000 -0.161 0.000 1.082 719 I HN 0.314 nan 8.210 nan 0.000 0.420 720 G N 1.064 109.805 108.800 -0.097 0.000 2.599 720 G HA2 -0.396 3.571 3.960 0.012 0.000 0.219 720 G HA3 -0.396 3.571 3.960 0.012 0.000 0.219 720 G C 1.730 176.660 174.900 0.051 0.000 1.193 720 G CA 2.130 47.177 45.100 -0.088 0.000 0.778 720 G HN 0.458 nan 8.290 nan 0.000 0.589 721 T N -0.858 113.787 114.554 0.151 0.000 2.894 721 T HA 0.155 4.512 4.350 0.012 0.000 0.258 721 T C 2.493 177.179 174.700 -0.024 0.000 1.043 721 T CA 0.925 63.115 62.100 0.149 0.000 1.141 721 T CB -0.283 68.745 68.868 0.266 0.000 0.873 721 T HN 0.179 nan 8.240 nan 0.000 0.449 722 L N 0.647 121.779 121.223 -0.152 0.000 2.201 722 L HA -0.022 4.325 4.340 0.012 0.000 0.212 722 L C 3.108 179.757 176.870 -0.369 0.000 1.105 722 L CA 1.171 55.727 54.840 -0.474 0.000 0.775 722 L CB -0.671 40.762 42.059 -1.044 0.000 0.913 722 L HN 0.340 nan 8.230 nan 0.000 0.440 723 Q N -0.040 119.612 119.800 -0.247 0.000 2.170 723 Q HA -0.145 4.202 4.340 0.012 0.000 0.203 723 Q C 1.467 177.404 176.000 -0.106 0.000 0.976 723 Q CA 1.092 56.787 55.803 -0.179 0.000 0.858 723 Q CB -0.037 28.587 28.738 -0.190 0.000 0.907 723 Q HN 0.498 nan 8.270 nan 0.000 0.433 724 N N 0.008 118.664 118.700 -0.073 0.000 2.461 724 N HA -0.020 4.728 4.740 0.012 0.000 0.188 724 N C -0.185 175.315 175.510 -0.017 0.000 1.134 724 N CA 0.246 53.279 53.050 -0.028 0.000 0.878 724 N CB 0.646 39.142 38.487 0.016 0.000 0.972 724 N HN -0.048 nan 8.380 nan 0.000 0.456 725 S N -0.182 115.491 115.700 -0.045 0.000 2.474 725 S HA 0.580 5.057 4.470 0.012 0.000 0.321 725 S C 0.962 175.553 174.600 -0.015 0.000 1.080 725 S CA -0.680 57.505 58.200 -0.025 0.000 1.106 725 S CB 1.325 64.492 63.200 -0.054 0.000 0.984 725 S HN 0.206 nan 8.310 nan 0.000 0.464 726 A N 4.574 127.397 122.820 0.006 0.000 1.930 726 A HA 0.029 4.356 4.320 0.012 0.000 0.217 726 A C 1.820 179.397 177.584 -0.011 0.000 1.175 726 A CA 1.445 53.485 52.037 0.006 0.000 0.627 726 A CB -0.702 18.310 19.000 0.019 0.000 0.815 726 A HN 0.789 nan 8.150 nan 0.000 0.443 727 E N -0.602 119.596 120.200 -0.004 0.000 2.085 727 E HA -0.182 4.176 4.350 0.012 0.000 0.194 727 E C 1.582 178.103 176.600 -0.132 0.000 0.994 727 E CA 1.371 57.762 56.400 -0.015 0.000 0.801 727 E CB -0.585 29.056 29.700 -0.098 0.000 0.743 727 E HN 0.705 nan 8.360 nan 0.000 0.453 728 F N 0.923 120.556 119.950 -0.527 0.000 2.069 728 F HA -0.252 4.283 4.527 0.012 0.000 0.298 728 F C 2.274 177.866 175.800 -0.347 0.000 1.113 728 F CA 1.699 59.142 58.000 -0.929 0.000 1.214 728 F CB -0.296 38.045 39.000 -1.098 0.000 0.978 728 F HN -0.101 nan 8.300 nan 0.000 0.474 729 S N -0.160 115.410 115.700 -0.216 0.000 2.447 729 S HA -0.165 4.312 4.470 0.012 0.000 0.233 729 S C 1.947 176.404 174.600 -0.238 0.000 1.006 729 S CA 0.900 58.981 58.200 -0.199 0.000 0.957 729 S CB -0.451 62.744 63.200 -0.009 0.000 0.773 729 S HN 0.494 nan 8.310 nan 0.000 0.507 730 E N 1.360 121.432 120.200 -0.212 0.000 2.152 730 E HA -0.039 4.318 4.350 0.012 0.000 0.192 730 E C 2.023 178.370 176.600 -0.422 0.000 0.983 730 E CA 0.871 57.136 56.400 -0.225 0.000 0.818 730 E CB -0.120 29.525 29.700 -0.090 0.000 0.758 730 E HN 0.465 nan 8.360 nan 0.000 0.467 731 A N -0.032 122.524 122.820 -0.439 0.000 1.898 731 A HA -0.088 4.239 4.320 0.012 0.000 0.216 731 A C 1.380 178.347 177.584 -1.028 0.000 1.181 731 A CA 0.975 52.643 52.037 -0.616 0.000 0.620 731 A CB -0.412 18.308 19.000 -0.467 0.000 0.819 731 A HN 0.242 nan 8.150 nan 0.000 0.442 732 F N -1.163 118.374 119.950 -0.689 0.000 2.708 732 F HA 0.287 4.821 4.527 0.012 0.000 0.300 732 F C 0.129 175.771 175.800 -0.264 0.000 1.118 732 F CA -0.354 57.367 58.000 -0.466 0.000 1.307 732 F CB -0.449 38.213 39.000 -0.562 0.000 0.986 732 F HN 0.375 nan 8.300 nan 0.000 0.522 733 H N -1.878 117.148 119.070 -0.074 0.000 2.604 733 H HA -0.208 4.356 4.556 0.012 0.000 0.321 733 H C -0.115 175.210 175.328 -0.005 0.000 1.132 733 H CA -0.143 55.885 56.048 -0.033 0.000 1.129 733 H CB -2.224 27.526 29.762 -0.019 0.000 1.526 733 H HN 0.252 nan 8.280 nan 0.000 0.415 734 c N 1.161 119.779 118.600 0.031 0.000 2.514 734 c HA 0.277 4.854 4.570 0.012 0.000 0.392 734 c C 1.463 175.585 174.090 0.055 0.000 1.294 734 c CA -0.673 55.688 56.329 0.052 0.000 1.957 734 c CB 0.212 42.750 42.510 0.046 0.000 2.541 734 c HN 0.568 nan 8.230 nan 0.000 0.569 735 R N 1.775 122.313 120.500 0.063 0.000 2.679 735 R HA 0.093 4.440 4.340 0.012 0.000 0.268 735 R C 0.207 176.533 176.300 0.043 0.000 1.044 735 R CA 0.065 56.196 56.100 0.052 0.000 1.105 735 R CB 0.431 30.763 30.300 0.053 0.000 0.989 735 R HN 0.669 nan 8.270 nan 0.000 0.447 736 K N 3.581 124.001 120.400 0.034 0.000 2.441 736 K HA -0.224 4.103 4.320 0.012 0.000 0.273 736 K C 0.119 176.738 176.600 0.031 0.000 1.090 736 K CA 0.303 56.606 56.287 0.026 0.000 1.158 736 K CB -0.058 32.454 32.500 0.021 0.000 0.847 736 K HN 0.635 nan 8.250 nan 0.000 0.483 737 N N -0.340 118.376 118.700 0.028 0.000 2.994 737 N HA -0.168 4.579 4.740 0.012 0.000 0.221 737 N C -0.417 175.127 175.510 0.056 0.000 0.900 737 N CA 1.278 54.347 53.050 0.031 0.000 1.008 737 N CB -1.335 37.170 38.487 0.030 0.000 1.053 737 N HN 0.836 nan 8.380 nan 0.000 0.580 738 S N -0.332 115.408 115.700 0.067 0.000 2.559 738 S HA -0.015 4.462 4.470 0.012 0.000 0.282 738 S C 1.324 175.996 174.600 0.119 0.000 1.336 738 S CA 0.283 58.545 58.200 0.104 0.000 1.037 738 S CB 0.540 63.802 63.200 0.103 0.000 0.853 738 S HN 0.315 nan 8.310 nan 0.000 0.523 739 Y N 2.458 122.793 120.300 0.057 0.000 2.151 739 Y HA -0.173 4.385 4.550 0.012 0.000 0.284 739 Y C 2.117 178.051 175.900 0.057 0.000 1.166 739 Y CA 1.969 60.104 58.100 0.058 0.000 1.163 739 Y CB -0.124 38.376 38.460 0.066 0.000 0.974 739 Y HN 0.586 nan 8.280 nan 0.000 0.511 740 M N -0.095 119.511 119.600 0.010 0.000 2.619 740 M HA -0.023 4.464 4.480 0.012 0.000 0.251 740 M C 0.203 176.463 176.300 -0.067 0.000 1.106 740 M CA 0.802 56.058 55.300 -0.073 0.000 1.086 740 M CB -0.967 31.703 32.600 0.117 0.000 1.465 740 M HN 0.265 nan 8.290 nan 0.000 0.506 741 N N 1.279 119.960 118.700 -0.030 0.000 2.765 741 N HA 0.235 4.982 4.740 0.012 0.000 0.277 741 N C -2.832 172.661 175.510 -0.028 0.000 1.750 741 N CA -1.780 51.264 53.050 -0.009 0.000 0.827 741 N CB 1.248 39.758 38.487 0.038 0.000 1.200 741 N HN -0.028 nan 8.380 nan 0.000 0.494 742 P HA 0.063 nan 4.420 nan 0.000 0.271 742 P C 0.728 178.007 177.300 -0.034 0.000 1.216 742 P CA -0.009 63.058 63.100 -0.056 0.000 0.776 742 P CB 1.385 33.030 31.700 -0.090 0.000 0.881 743 E N 2.867 123.054 120.200 -0.022 0.000 2.110 743 E HA -0.145 4.212 4.350 0.012 0.000 0.193 743 E C 0.330 176.917 176.600 -0.021 0.000 0.988 743 E CA 1.112 57.503 56.400 -0.015 0.000 0.804 743 E CB 0.137 29.831 29.700 -0.009 0.000 0.745 743 E HN 0.312 nan 8.360 nan 0.000 0.458 744 K N 1.587 121.969 120.400 -0.030 0.000 2.276 744 K HA 0.131 4.458 4.320 0.012 0.000 0.285 744 K C -0.623 175.951 176.600 -0.043 0.000 1.062 744 K CA 0.026 56.293 56.287 -0.034 0.000 0.918 744 K CB 0.618 33.096 32.500 -0.038 0.000 1.055 744 K HN -0.085 nan 8.250 nan 0.000 0.477 745 K N 2.781 123.159 120.400 -0.037 0.000 2.422 745 K HA 0.335 4.663 4.320 0.012 0.000 0.251 745 K C -0.867 175.709 176.600 -0.040 0.000 0.933 745 K CA -0.772 55.493 56.287 -0.037 0.000 0.798 745 K CB 1.834 34.319 32.500 -0.025 0.000 1.238 745 K HN 0.579 nan 8.250 nan 0.000 0.428 746 c N 1.475 120.051 118.600 -0.040 0.000 2.405 746 c HA 0.579 5.157 4.570 0.012 0.000 0.365 746 c C 0.214 174.274 174.090 -0.049 0.000 1.233 746 c CA -0.562 55.730 56.329 -0.060 0.000 2.230 746 c CB 0.183 42.664 42.510 -0.048 0.000 2.443 746 c HN 0.829 nan 8.230 nan 0.000 0.556 747 R N 1.028 121.469 120.500 -0.098 0.000 2.515 747 R HA 0.548 4.895 4.340 0.012 0.000 0.278 747 R C -0.278 175.896 176.300 -0.210 0.000 1.107 747 R CA -0.243 55.817 56.100 -0.067 0.000 0.945 747 R CB 1.248 31.551 30.300 0.006 0.000 1.219 747 R HN 0.623 nan 8.270 nan 0.000 0.434 748 V N 3.152 122.945 119.914 -0.202 0.000 3.240 748 V HA 0.646 4.773 4.120 0.012 0.000 0.218 748 V C -0.334 175.763 176.094 0.005 0.000 1.190 748 V CA 0.049 62.090 62.300 -0.432 0.000 1.280 748 V CB -0.314 31.035 31.823 -0.790 0.000 1.244 748 V HN 0.576 nan 8.190 nan 0.000 0.512 749 W N 0.000 121.488 121.300 0.314 0.000 2.388 749 W HA 0.000 4.667 4.660 0.012 0.000 0.303 749 W CA 0.000 57.520 57.345 0.291 0.000 1.226 749 W CB 0.000 29.640 29.460 0.300 0.000 1.126 749 W HN 0.000 nan 8.180 nan 0.000 0.535