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 1po0_1_A DATA FIRST_RESID 81 DATA SEQUENCE ALTVVGDWLG DARENDVFEH AGARDVIRRE DFAKTGATTM REVLNRIPGV DATA SEQUENCE SAPENNGTGS HDLAMNFGIR GLNPRLASRS TVLMDGIPVP FAPYGQPQLS DATA SEQUENCE LAPVSLGNMD AIDVVRGGGA VRYGPQSVGG VVNFVTRAIP QDFGIEAGVE DATA SEQUENCE GQLSPTSSQN NPKETHNLMV GGTADNGFGT ALLYSGTRGS DWREHSATRI DATA SEQUENCE DDLMLKSKYA PDEVHTFNSL LQYYDGEADM PGGLSRADYD ADRWQSTRPY DATA SEQUENCE DRFWGRRKLA SLGYQFQPDS QHKFNIQGFY TQTLRSGYLE QGKRITLSPR DATA SEQUENCE NYWVRGIEPR YSQIFMIGPS AHEVGVGYRY LNESTHEMRY YTATSSGQLP DATA SEQUENCE SGSSPYDRDT RSGTEAHAWY LDDKIDIGNW TITPGMRFEH IESYQNNAIT DATA SEQUENCE GTHEEVSYNA PLPALNVLYH LTDSWNLYAN TEGSFGTVQY SQIGKAVQSG DATA SEQUENCE NVEPEKARTW ELGTRYDDGA LTAEMGLFLI NFNNQYDSNQ TNDTVTARGK DATA SEQUENCE TRHTGLETQA RYDLGTLTPT LDNVSIYASY AYVNAEIREK GDTYGNLVPF DATA SEQUENCE SPKHKGTLGV DYKPGNWTFN LNSDFQSSQF ADNANTVKES ADGSTGRIPG DATA SEQUENCE FMLWGARVAY DFGPQMADLN LAFGVKNIFD QDYFIRSYDD NNKGIYAGQP DATA SEQUENCE RTLYMQGSLK F 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 81 A HA 0.000 nan 4.320 nan 0.000 0.244 81 A C 0.000 177.584 177.584 0.000 0.000 1.274 81 A CA 0.000 52.038 52.037 0.002 0.000 0.836 81 A CB 0.000 19.000 19.000 0.000 0.000 0.831 82 L N 1.490 122.709 121.223 -0.007 0.000 3.162 82 L HA -0.136 4.153 4.340 -0.084 0.000 0.673 82 L C -0.614 176.244 176.870 -0.021 0.000 1.045 82 L CA 0.540 55.371 54.840 -0.015 0.000 1.297 82 L CB -1.553 40.501 42.059 -0.008 0.000 1.732 82 L HN 0.483 nan 8.230 nan 0.000 0.855 83 T N 1.621 116.162 114.554 -0.023 0.000 2.794 83 T HA 0.426 4.725 4.350 -0.084 0.000 0.280 83 T C 0.142 174.820 174.700 -0.036 0.000 0.987 83 T CA -0.460 61.623 62.100 -0.027 0.000 0.993 83 T CB 2.583 71.441 68.868 -0.016 0.000 0.939 83 T HN 0.298 nan 8.240 nan 0.000 0.449 84 V N 5.237 125.120 119.914 -0.052 0.000 2.521 84 V HA 0.100 4.169 4.120 -0.084 0.000 0.286 84 V C 1.006 177.082 176.094 -0.031 0.000 1.034 84 V CA 0.374 62.638 62.300 -0.060 0.000 1.045 84 V CB 0.430 32.194 31.823 -0.099 0.000 0.974 84 V HN 0.837 nan 8.190 nan 0.000 0.480 85 V N 7.010 126.921 119.914 -0.005 0.000 2.302 85 V HA 0.220 4.289 4.120 -0.084 0.000 0.243 85 V C 1.979 178.088 176.094 0.025 0.000 1.036 85 V CA 1.884 64.202 62.300 0.030 0.000 1.020 85 V CB -1.295 30.575 31.823 0.079 0.000 0.657 85 V HN 1.444 nan 8.190 nan 0.000 0.453 86 G N 0.529 109.344 108.800 0.025 0.000 2.609 86 G HA2 -0.366 3.544 3.960 -0.084 0.000 0.288 86 G HA3 -0.366 3.544 3.960 -0.084 0.000 0.288 86 G C 0.066 174.966 174.900 0.000 0.000 1.211 86 G CA 0.407 45.509 45.100 0.003 0.000 0.963 86 G HN 0.589 nan 8.290 nan 0.000 0.541 87 D N 2.028 122.397 120.400 -0.052 0.000 2.344 87 D HA 0.288 4.878 4.640 -0.084 0.000 0.253 87 D C 1.670 177.927 176.300 -0.071 0.000 1.255 87 D CA 0.111 54.018 54.000 -0.154 0.000 0.894 87 D CB -0.512 40.213 40.800 -0.124 0.000 1.067 87 D HN 0.550 nan 8.370 nan 0.000 0.492 88 W N 3.672 125.001 121.300 0.048 0.000 2.770 88 W HA 0.020 4.629 4.660 -0.085 0.000 0.256 88 W C 0.727 177.252 176.519 0.011 0.000 1.291 88 W CA -0.491 56.876 57.345 0.038 0.000 1.396 88 W CB -0.482 29.019 29.460 0.067 0.000 1.114 88 W HN 0.305 nan 8.180 nan 0.000 0.637 89 L N 2.239 123.372 121.223 -0.149 0.000 2.004 89 L HA 0.233 4.523 4.340 -0.084 0.000 0.205 89 L C 2.156 178.976 176.870 -0.085 0.000 1.089 89 L CA 2.943 57.703 54.840 -0.134 0.000 0.756 89 L CB -1.304 40.459 42.059 -0.494 0.000 0.900 89 L HN 0.226 nan 8.230 nan 0.000 0.440 90 G N -0.484 108.241 108.800 -0.126 0.000 2.672 90 G HA2 -0.424 3.486 3.960 -0.084 0.000 0.356 90 G HA3 -0.424 3.486 3.960 -0.084 0.000 0.356 90 G C 0.416 175.277 174.900 -0.065 0.000 1.312 90 G CA 0.785 45.839 45.100 -0.077 0.000 0.980 90 G HN 0.512 nan 8.290 nan 0.000 0.540 91 D N 2.228 122.606 120.400 -0.037 0.000 2.561 91 D HA 0.468 5.058 4.640 -0.084 0.000 0.232 91 D C 1.252 177.535 176.300 -0.030 0.000 1.198 91 D CA 1.212 55.192 54.000 -0.034 0.000 0.826 91 D CB -0.387 40.398 40.800 -0.025 0.000 0.992 91 D HN 1.453 nan 8.370 nan 0.000 0.490 92 A N 1.420 124.224 122.820 -0.027 0.000 2.519 92 A HA -0.298 3.972 4.320 -0.084 0.000 0.297 92 A C 0.504 178.086 177.584 -0.003 0.000 1.472 92 A CA 0.328 52.355 52.037 -0.017 0.000 0.739 92 A CB -1.721 17.251 19.000 -0.046 0.000 1.096 92 A HN 0.365 nan 8.150 nan 0.000 0.414 93 R N -0.292 120.219 120.500 0.019 0.000 2.585 93 R HA 0.078 4.368 4.340 -0.084 0.000 0.275 93 R C 1.254 177.570 176.300 0.027 0.000 1.018 93 R CA 0.513 56.624 56.100 0.019 0.000 1.072 93 R CB 0.314 30.635 30.300 0.034 0.000 0.953 93 R HN 0.739 nan 8.270 nan 0.000 0.419 94 E N 2.315 122.521 120.200 0.011 0.000 2.114 94 E HA -0.318 3.981 4.350 -0.084 0.000 0.199 94 E C 1.509 178.146 176.600 0.063 0.000 1.008 94 E CA 2.019 58.429 56.400 0.018 0.000 0.810 94 E CB 0.006 29.698 29.700 -0.014 0.000 0.739 94 E HN 0.543 nan 8.360 nan 0.000 0.456 95 N N 0.232 118.969 118.700 0.062 0.000 2.142 95 N HA -0.148 4.541 4.740 -0.084 0.000 0.186 95 N C 1.232 176.824 175.510 0.136 0.000 1.023 95 N CA 1.652 54.767 53.050 0.107 0.000 0.852 95 N CB -0.007 38.524 38.487 0.073 0.000 0.998 95 N HN 0.149 nan 8.380 nan 0.000 0.424 96 D N -0.517 119.947 120.400 0.108 0.000 2.178 96 D HA -0.099 4.490 4.640 -0.084 0.000 0.201 96 D C 1.893 178.245 176.300 0.087 0.000 0.980 96 D CA 0.752 54.824 54.000 0.119 0.000 0.842 96 D CB -0.044 40.858 40.800 0.169 0.000 0.948 96 D HN 0.159 nan 8.370 nan 0.000 0.472 97 V N 0.865 120.822 119.914 0.072 0.000 2.323 97 V HA -0.198 3.871 4.120 -0.084 0.000 0.244 97 V C 2.175 178.310 176.094 0.068 0.000 1.041 97 V CA 1.042 63.357 62.300 0.025 0.000 1.025 97 V CB -0.587 31.244 31.823 0.013 0.000 0.656 97 V HN 0.049 nan 8.190 nan 0.000 0.451 98 F N 1.357 121.299 119.950 -0.013 0.000 2.161 98 F HA -0.134 4.342 4.527 -0.085 0.000 0.300 98 F C 2.237 178.024 175.800 -0.021 0.000 1.089 98 F CA 1.576 59.572 58.000 -0.008 0.000 1.282 98 F CB -0.034 38.961 39.000 -0.008 0.000 1.010 98 F HN 0.155 nan 8.300 nan 0.000 0.485 99 E N -0.776 119.399 120.200 -0.042 0.000 2.476 99 E HA -0.073 4.227 4.350 -0.084 0.000 0.191 99 E C -0.254 176.220 176.600 -0.210 0.000 1.064 99 E CA 0.087 56.395 56.400 -0.153 0.000 0.866 99 E CB -0.896 28.810 29.700 0.010 0.000 0.952 99 E HN 0.417 nan 8.360 nan 0.000 0.492 100 H N 0.875 119.761 119.070 -0.307 0.000 2.899 100 H HA 0.230 4.735 4.556 -0.084 0.000 0.303 100 H C -0.043 174.991 175.328 -0.490 0.000 1.042 100 H CA -0.147 55.645 56.048 -0.427 0.000 1.479 100 H CB 0.662 30.165 29.762 -0.432 0.000 1.493 100 H HN -0.036 nan 8.280 nan 0.000 0.534 101 A N 4.751 127.047 122.820 -0.874 0.000 3.063 101 A HA 0.525 4.795 4.320 -0.084 0.000 0.263 101 A C 0.537 177.622 177.584 -0.832 0.000 1.736 101 A CA 0.580 52.237 52.037 -0.632 0.000 1.408 101 A CB -0.981 17.791 19.000 -0.380 0.000 1.108 101 A HN 0.948 nan 8.150 nan 0.000 0.621 102 G N -0.872 107.172 108.800 -1.261 0.000 2.340 102 G HA2 0.573 4.482 3.960 -0.084 0.000 0.300 102 G HA3 0.573 4.482 3.960 -0.084 0.000 0.300 102 G C -0.427 174.000 174.900 -0.787 0.000 1.488 102 G CA -0.243 44.243 45.100 -1.024 0.000 0.878 102 G HN 1.365 nan 8.290 nan 0.000 0.618 103 A N 0.346 122.946 122.820 -0.366 0.000 2.522 103 A HA 0.652 4.921 4.320 -0.084 0.000 0.256 103 A C 0.698 178.192 177.584 -0.151 0.000 1.086 103 A CA 0.951 52.914 52.037 -0.123 0.000 0.763 103 A CB 0.053 19.058 19.000 0.010 0.000 1.024 103 A HN 1.166 nan 8.150 nan 0.000 0.502 104 R N 2.461 122.865 120.500 -0.160 0.000 2.536 104 R HA 0.398 4.687 4.340 -0.084 0.000 0.269 104 R C -2.224 173.980 176.300 -0.161 0.000 1.113 104 R CA -0.507 55.447 56.100 -0.244 0.000 0.948 104 R CB 1.496 31.495 30.300 -0.501 0.000 1.237 104 R HN 0.752 nan 8.270 nan 0.000 0.441 105 D N 3.026 123.331 120.400 -0.158 0.000 2.819 105 D HA 0.406 4.995 4.640 -0.084 0.000 0.232 105 D C -1.080 175.148 176.300 -0.120 0.000 1.160 105 D CA -0.394 53.541 54.000 -0.108 0.000 0.858 105 D CB 2.866 43.613 40.800 -0.089 0.000 1.610 105 D HN 0.167 nan 8.370 nan 0.000 0.481 106 V N 2.482 122.346 119.914 -0.083 0.000 2.656 106 V HA 0.437 4.506 4.120 -0.084 0.000 0.307 106 V C -0.434 175.637 176.094 -0.038 0.000 1.051 106 V CA -0.781 61.477 62.300 -0.070 0.000 0.893 106 V CB 2.308 34.093 31.823 -0.064 0.000 0.999 106 V HN 0.412 nan 8.190 nan 0.000 0.426 107 I N 4.330 124.903 120.570 0.006 0.000 2.389 107 I HA 0.535 4.655 4.170 -0.084 0.000 0.288 107 I C 0.273 176.450 176.117 0.100 0.000 0.999 107 I CA -0.504 60.832 61.300 0.060 0.000 1.129 107 I CB 1.719 39.800 38.000 0.135 0.000 1.288 107 I HN 0.580 nan 8.210 nan 0.000 0.444 108 R N 3.890 124.343 120.500 -0.078 0.000 2.500 108 R HA 0.386 4.675 4.340 -0.084 0.000 0.277 108 R C 1.330 177.159 176.300 -0.785 0.000 1.026 108 R CA -0.731 55.210 56.100 -0.265 0.000 1.058 108 R CB 1.555 31.734 30.300 -0.202 0.000 1.078 108 R HN 0.514 nan 8.270 nan 0.000 0.509 109 R N 1.973 121.814 120.500 -1.098 0.000 2.140 109 R HA -0.300 3.990 4.340 -0.084 0.000 0.250 109 R C 1.722 177.465 176.300 -0.928 0.000 1.150 109 R CA 2.494 57.620 56.100 -1.625 0.000 0.966 109 R CB -0.189 29.696 30.300 -0.692 0.000 0.869 109 R HN 0.816 nan 8.270 nan 0.000 0.445 110 E N -0.361 119.537 120.200 -0.504 0.000 2.273 110 E HA -0.215 4.085 4.350 -0.084 0.000 0.198 110 E C 0.464 176.933 176.600 -0.218 0.000 1.002 110 E CA 1.741 57.970 56.400 -0.284 0.000 0.828 110 E CB -0.016 29.564 29.700 -0.200 0.000 0.747 110 E HN 0.473 nan 8.360 nan 0.000 0.491 111 D N -0.767 119.485 120.400 -0.247 0.000 2.398 111 D HA 0.018 4.608 4.640 -0.084 0.000 0.210 111 D C 1.031 177.374 176.300 0.073 0.000 1.094 111 D CA -0.100 53.849 54.000 -0.086 0.000 0.839 111 D CB 0.042 40.794 40.800 -0.080 0.000 0.963 111 D HN 0.178 nan 8.370 nan 0.000 0.506 112 F N 2.356 122.265 119.950 -0.068 0.000 2.069 112 F HA -0.096 4.381 4.527 -0.083 0.000 0.298 112 F C 2.613 178.371 175.800 -0.070 0.000 1.113 112 F CA 0.461 58.418 58.000 -0.073 0.000 1.214 112 F CB -1.335 37.621 39.000 -0.074 0.000 0.978 112 F HN -0.037 nan 8.300 nan 0.000 0.474 113 A N 0.706 123.618 122.820 0.154 0.000 2.019 113 A HA -0.216 4.053 4.320 -0.084 0.000 0.219 113 A C 2.236 179.867 177.584 0.078 0.000 1.164 113 A CA 1.653 53.736 52.037 0.077 0.000 0.644 113 A CB -0.940 18.098 19.000 0.063 0.000 0.805 113 A HN 0.533 nan 8.150 nan 0.000 0.449 114 K N -0.118 120.329 120.400 0.078 0.000 2.218 114 K HA -0.173 4.096 4.320 -0.084 0.000 0.205 114 K C 1.144 177.825 176.600 0.135 0.000 1.046 114 K CA 1.935 58.284 56.287 0.103 0.000 0.933 114 K CB -0.681 31.868 32.500 0.083 0.000 0.728 114 K HN 0.493 nan 8.250 nan 0.000 0.454 115 T N -4.254 110.346 114.554 0.078 0.000 3.132 115 T HA 0.345 4.645 4.350 -0.084 0.000 0.274 115 T C 1.048 175.675 174.700 -0.122 0.000 1.011 115 T CA 0.039 62.176 62.100 0.062 0.000 0.899 115 T CB 0.665 69.555 68.868 0.036 0.000 1.089 115 T HN 0.425 nan 8.240 nan 0.000 0.543 116 G N 1.492 110.141 108.800 -0.253 0.000 2.160 116 G HA2 -0.049 3.860 3.960 -0.084 0.000 0.251 116 G HA3 -0.049 3.860 3.960 -0.084 0.000 0.251 116 G C 0.327 174.927 174.900 -0.499 0.000 1.008 116 G CA -0.156 44.450 45.100 -0.824 0.000 0.724 116 G HN 1.282 nan 8.290 nan 0.000 0.514 117 A N 0.063 122.734 122.820 -0.249 0.000 2.488 117 A HA 0.660 4.929 4.320 -0.084 0.000 0.249 117 A C 1.433 178.900 177.584 -0.194 0.000 1.083 117 A CA 1.540 53.457 52.037 -0.200 0.000 0.768 117 A CB 0.298 19.194 19.000 -0.173 0.000 1.017 117 A HN 1.644 nan 8.150 nan 0.000 0.496 118 T N -1.410 113.033 114.554 -0.186 0.000 3.016 118 T HA 0.297 4.596 4.350 -0.084 0.000 0.271 118 T C 0.519 175.115 174.700 -0.173 0.000 0.968 118 T CA 0.674 62.678 62.100 -0.161 0.000 0.891 118 T CB -0.426 68.365 68.868 -0.128 0.000 1.149 118 T HN 1.090 nan 8.240 nan 0.000 0.524 119 T N -1.069 113.375 114.554 -0.183 0.000 2.916 119 T HA 0.647 4.946 4.350 -0.084 0.000 0.292 119 T C 0.920 175.476 174.700 -0.239 0.000 1.064 119 T CA -0.866 61.124 62.100 -0.183 0.000 1.011 119 T CB 1.784 70.584 68.868 -0.113 0.000 1.152 119 T HN -0.169 nan 8.240 nan 0.000 0.510 120 M N 1.102 120.550 119.600 -0.253 0.000 2.080 120 M HA -0.007 4.423 4.480 -0.084 0.000 0.260 120 M C 2.484 178.674 176.300 -0.183 0.000 1.068 120 M CA 1.717 56.859 55.300 -0.264 0.000 1.109 120 M CB -1.069 31.349 32.600 -0.303 0.000 1.342 120 M HN 0.855 nan 8.290 nan 0.000 0.405 121 R N -0.526 119.901 120.500 -0.121 0.000 2.103 121 R HA -0.177 4.113 4.340 -0.084 0.000 0.242 121 R C 1.868 178.114 176.300 -0.090 0.000 1.142 121 R CA 1.953 58.006 56.100 -0.078 0.000 0.960 121 R CB -1.119 29.167 30.300 -0.023 0.000 0.858 121 R HN 0.455 nan 8.270 nan 0.000 0.439 122 E N 0.831 120.970 120.200 -0.101 0.000 2.110 122 E HA -0.121 4.179 4.350 -0.084 0.000 0.193 122 E C 2.076 178.601 176.600 -0.125 0.000 0.988 122 E CA 1.483 57.825 56.400 -0.096 0.000 0.804 122 E CB 0.061 29.699 29.700 -0.104 0.000 0.745 122 E HN 0.202 nan 8.360 nan 0.000 0.458 123 V N 1.227 121.030 119.914 -0.185 0.000 2.407 123 V HA -0.185 3.884 4.120 -0.084 0.000 0.245 123 V C 2.246 178.246 176.094 -0.156 0.000 1.041 123 V CA 1.090 63.279 62.300 -0.186 0.000 1.040 123 V CB -0.340 31.287 31.823 -0.327 0.000 0.671 123 V HN 0.253 nan 8.190 nan 0.000 0.455 124 L N 0.302 121.417 121.223 -0.181 0.000 2.042 124 L HA -0.197 4.093 4.340 -0.084 0.000 0.210 124 L C 2.395 179.163 176.870 -0.170 0.000 1.076 124 L CA 1.487 56.199 54.840 -0.215 0.000 0.749 124 L CB -0.715 41.168 42.059 -0.293 0.000 0.893 124 L HN 0.386 nan 8.230 nan 0.000 0.432 125 N N 0.262 118.886 118.700 -0.126 0.000 2.443 125 N HA -0.129 4.560 4.740 -0.084 0.000 0.184 125 N C 1.605 177.049 175.510 -0.109 0.000 1.037 125 N CA 0.867 53.855 53.050 -0.103 0.000 0.896 125 N CB -0.055 38.392 38.487 -0.067 0.000 0.959 125 N HN 0.357 nan 8.380 nan 0.000 0.442 126 R N 0.039 120.479 120.500 -0.100 0.000 2.313 126 R HA 0.207 4.496 4.340 -0.084 0.000 0.199 126 R C 0.149 176.399 176.300 -0.084 0.000 0.958 126 R CA 0.212 56.264 56.100 -0.081 0.000 1.047 126 R CB 0.323 30.584 30.300 -0.065 0.000 0.955 126 R HN 0.153 nan 8.270 nan 0.000 0.481 127 I N 3.284 123.788 120.570 -0.109 0.000 2.336 127 I HA 0.222 4.342 4.170 -0.084 0.000 0.292 127 I C -2.075 173.975 176.117 -0.112 0.000 0.991 127 I CA -2.716 58.519 61.300 -0.109 0.000 1.227 127 I CB 1.709 39.623 38.000 -0.143 0.000 1.366 127 I HN -0.253 nan 8.210 nan 0.000 0.466 128 P HA 0.018 nan 4.420 nan 0.000 0.265 128 P C 0.740 177.973 177.300 -0.112 0.000 1.193 128 P CA 0.651 63.700 63.100 -0.084 0.000 0.765 128 P CB 0.928 32.613 31.700 -0.026 0.000 0.823 129 G N 1.391 110.111 108.800 -0.133 0.000 2.176 129 G HA2 -0.188 3.722 3.960 -0.084 0.000 0.253 129 G HA3 -0.188 3.722 3.960 -0.084 0.000 0.253 129 G C -0.126 174.670 174.900 -0.173 0.000 0.979 129 G CA -0.022 44.976 45.100 -0.170 0.000 0.641 129 G HN 0.560 nan 8.290 nan 0.000 0.530 130 V N 0.706 120.530 119.914 -0.150 0.000 2.435 130 V HA 0.780 4.850 4.120 -0.084 0.000 0.290 130 V C 0.210 176.247 176.094 -0.094 0.000 1.030 130 V CA 0.056 62.277 62.300 -0.131 0.000 0.881 130 V CB 1.839 33.554 31.823 -0.181 0.000 0.983 130 V HN 0.493 nan 8.190 nan 0.000 0.445 131 S N 3.376 119.054 115.700 -0.037 0.000 2.659 131 S HA 0.762 5.181 4.470 -0.084 0.000 0.312 131 S C -0.369 174.258 174.600 0.043 0.000 1.114 131 S CA -0.185 58.008 58.200 -0.012 0.000 1.063 131 S CB 1.077 64.275 63.200 -0.004 0.000 0.996 131 S HN 1.103 nan 8.310 nan 0.000 0.478 132 A N 6.821 129.661 122.820 0.034 0.000 2.536 132 A HA 0.686 4.956 4.320 -0.084 0.000 0.329 132 A C -2.907 174.705 177.584 0.046 0.000 1.321 132 A CA -1.588 50.489 52.037 0.066 0.000 0.804 132 A CB 0.343 19.368 19.000 0.042 0.000 1.126 132 A HN 0.581 nan 8.150 nan 0.000 0.480 133 P HA 0.102 nan 4.420 nan 0.000 0.270 133 P C 0.015 177.340 177.300 0.041 0.000 1.223 133 P CA -0.096 63.027 63.100 0.039 0.000 0.785 133 P CB 0.582 32.256 31.700 -0.044 0.000 0.923 134 E N 1.256 121.525 120.200 0.115 0.000 2.422 134 E HA 0.033 4.332 4.350 -0.084 0.000 0.260 134 E C 0.080 176.688 176.600 0.012 0.000 1.108 134 E CA 0.027 56.527 56.400 0.166 0.000 0.943 134 E CB -0.006 29.907 29.700 0.355 0.000 0.961 134 E HN 0.376 nan 8.360 nan 0.000 0.443 135 N N 2.066 120.755 118.700 -0.018 0.000 2.294 135 N HA -0.070 4.620 4.740 -0.084 0.000 0.248 135 N C -0.088 175.290 175.510 -0.220 0.000 1.242 135 N CA 0.648 53.617 53.050 -0.134 0.000 0.848 135 N CB -0.092 38.318 38.487 -0.128 0.000 1.084 135 N HN 0.581 nan 8.380 nan 0.000 0.457 136 N N -1.498 116.979 118.700 -0.372 0.000 3.265 136 N HA 0.489 5.178 4.740 -0.084 0.000 0.235 136 N C 0.059 175.300 175.510 -0.448 0.000 1.343 136 N CA -0.381 52.188 53.050 -0.802 0.000 0.904 136 N CB 0.516 38.273 38.487 -1.217 0.000 1.492 136 N HN 0.578 nan 8.380 nan 0.000 0.504 137 G N 0.024 108.657 108.800 -0.277 0.000 2.564 137 G HA2 -0.358 3.551 3.960 -0.084 0.000 0.273 137 G HA3 -0.358 3.551 3.960 -0.084 0.000 0.273 137 G C 0.770 175.655 174.900 -0.025 0.000 1.242 137 G CA 0.671 45.733 45.100 -0.064 0.000 0.951 137 G HN 1.013 nan 8.290 nan 0.000 0.564 138 T N 1.116 115.637 114.554 -0.054 0.000 2.803 138 T HA 0.111 4.410 4.350 -0.084 0.000 0.269 138 T C 1.997 176.602 174.700 -0.159 0.000 1.052 138 T CA 2.178 64.249 62.100 -0.048 0.000 1.136 138 T CB -0.408 68.428 68.868 -0.052 0.000 0.864 138 T HN 1.557 nan 8.240 nan 0.000 0.467 139 G N 0.843 109.479 108.800 -0.273 0.000 3.639 139 G HA2 0.238 4.148 3.960 -0.084 0.000 0.279 139 G HA3 0.238 4.148 3.960 -0.084 0.000 0.279 139 G C 0.463 175.069 174.900 -0.489 0.000 1.312 139 G CA -0.339 44.458 45.100 -0.506 0.000 1.355 139 G HN 0.362 nan 8.290 nan 0.000 0.595 140 S N 0.969 116.512 115.700 -0.262 0.000 3.456 140 S HA 0.337 4.756 4.470 -0.084 0.000 0.229 140 S C 0.097 174.690 174.600 -0.013 0.000 1.416 140 S CA -0.610 57.550 58.200 -0.067 0.000 1.197 140 S CB -0.753 62.553 63.200 0.177 0.000 1.201 140 S HN 0.825 nan 8.310 nan 0.000 0.479 141 H N -2.572 116.450 119.070 -0.080 0.000 2.969 141 H HA 0.383 4.888 4.556 -0.085 0.000 0.304 141 H C -0.493 174.791 175.328 -0.073 0.000 1.400 141 H CA -0.815 55.194 56.048 -0.066 0.000 1.182 141 H CB -0.333 29.415 29.762 -0.024 0.000 1.865 141 H HN -0.057 nan 8.280 nan 0.000 0.512 142 D N 0.367 120.838 120.400 0.118 0.000 2.312 142 D HA -0.014 4.575 4.640 -0.084 0.000 0.211 142 D C 1.549 177.938 176.300 0.148 0.000 0.964 142 D CA 0.759 54.799 54.000 0.067 0.000 0.877 142 D CB 0.187 41.016 40.800 0.047 0.000 0.924 142 D HN 0.407 nan 8.370 nan 0.000 0.515 143 L N 0.191 121.659 121.223 0.409 0.000 2.313 143 L HA 0.103 4.392 4.340 -0.084 0.000 0.214 143 L C 1.250 178.220 176.870 0.168 0.000 1.119 143 L CA 0.380 55.440 54.840 0.367 0.000 0.809 143 L CB -0.452 41.903 42.059 0.493 0.000 0.933 143 L HN -0.131 nan 8.230 nan 0.000 0.449 144 A N -0.558 122.232 122.820 -0.050 0.000 2.242 144 A HA 0.647 4.917 4.320 -0.084 0.000 0.304 144 A C -0.245 177.210 177.584 -0.217 0.000 1.100 144 A CA -0.370 51.509 52.037 -0.262 0.000 0.860 144 A CB 0.677 19.307 19.000 -0.617 0.000 1.168 144 A HN 0.111 nan 8.150 nan 0.000 0.503 145 M N 1.164 120.637 119.600 -0.211 0.000 2.326 145 M HA 0.373 4.802 4.480 -0.084 0.000 0.292 145 M C -1.911 174.289 176.300 -0.167 0.000 1.081 145 M CA -0.435 54.789 55.300 -0.127 0.000 0.919 145 M CB 1.526 34.101 32.600 -0.042 0.000 1.634 145 M HN 0.710 nan 8.290 nan 0.000 0.451 146 N N 6.017 124.658 118.700 -0.098 0.000 2.448 146 N HA 0.666 5.355 4.740 -0.084 0.000 0.279 146 N C -1.842 173.679 175.510 0.019 0.000 1.025 146 N CA -0.031 52.932 53.050 -0.144 0.000 0.898 146 N CB 1.786 40.170 38.487 -0.173 0.000 1.303 146 N HN 0.664 nan 8.380 nan 0.000 0.495 147 F N -1.165 118.703 119.950 -0.137 0.000 2.708 147 F HA 0.711 5.187 4.527 -0.085 0.000 0.309 147 F C -0.928 174.797 175.800 -0.125 0.000 1.120 147 F CA -1.054 56.874 58.000 -0.120 0.000 0.978 147 F CB 0.940 39.874 39.000 -0.109 0.000 1.283 147 F HN 0.299 nan 8.300 nan 0.000 0.439 148 G N 2.934 111.821 108.800 0.144 0.000 2.620 148 G HA2 0.673 4.582 3.960 -0.084 0.000 0.301 148 G HA3 0.673 4.582 3.960 -0.084 0.000 0.301 148 G C -1.969 172.971 174.900 0.067 0.000 1.347 148 G CA -1.009 44.108 45.100 0.028 0.000 0.971 148 G HN 0.633 nan 8.290 nan 0.000 0.488 149 I N 1.023 121.580 120.570 -0.021 0.000 2.359 149 I HA 0.396 4.516 4.170 -0.084 0.000 0.294 149 I C 0.926 176.926 176.117 -0.195 0.000 0.987 149 I CA -0.676 60.553 61.300 -0.117 0.000 1.225 149 I CB 1.327 39.229 38.000 -0.163 0.000 1.366 149 I HN 0.823 nan 8.210 nan 0.000 0.466 150 R N 4.000 124.365 120.500 -0.225 0.000 3.416 150 R HA -0.232 4.058 4.340 -0.084 0.000 0.263 150 R C 1.008 177.351 176.300 0.071 0.000 1.053 150 R CA 0.609 56.587 56.100 -0.203 0.000 0.705 150 R CB -1.858 28.117 30.300 -0.541 0.000 1.124 150 R HN 1.167 nan 8.270 nan 0.000 0.444 151 G N -0.918 107.927 108.800 0.076 0.000 2.179 151 G HA2 -0.334 3.575 3.960 -0.084 0.000 0.260 151 G HA3 -0.334 3.575 3.960 -0.084 0.000 0.260 151 G C 0.280 175.323 174.900 0.238 0.000 0.977 151 G CA 0.231 45.442 45.100 0.186 0.000 0.641 151 G HN 0.281 nan 8.290 nan 0.000 0.533 152 L N 0.916 122.179 121.223 0.067 0.000 2.439 152 L HA 0.238 4.527 4.340 -0.084 0.000 0.269 152 L C 1.147 178.049 176.870 0.054 0.000 1.179 152 L CA -0.774 54.084 54.840 0.029 0.000 0.828 152 L CB 0.442 42.406 42.059 -0.159 0.000 1.106 152 L HN 0.216 nan 8.230 nan 0.000 0.467 153 N N 4.711 123.462 118.700 0.086 0.000 2.315 153 N HA -0.062 4.628 4.740 -0.084 0.000 0.270 153 N C -1.629 173.855 175.510 -0.043 0.000 1.329 153 N CA -0.692 52.398 53.050 0.066 0.000 0.860 153 N CB 0.958 39.485 38.487 0.066 0.000 1.095 153 N HN 0.369 nan 8.380 nan 0.000 0.487 154 P HA -0.048 nan 4.420 nan 0.000 0.235 154 P C 0.246 177.411 177.300 -0.225 0.000 1.177 154 P CA 0.248 63.263 63.100 -0.142 0.000 0.785 154 P CB 0.271 31.921 31.700 -0.083 0.000 0.885 155 R N 2.150 122.524 120.500 -0.209 0.000 2.513 155 R HA 0.008 4.297 4.340 -0.084 0.000 0.333 155 R C 0.588 176.742 176.300 -0.244 0.000 0.925 155 R CA 0.198 56.161 56.100 -0.229 0.000 1.072 155 R CB -0.986 29.210 30.300 -0.173 0.000 0.914 155 R HN 0.095 nan 8.270 nan 0.000 0.408 156 L N 3.043 124.100 121.223 -0.278 0.000 4.040 156 L HA -0.330 3.959 4.340 -0.084 0.000 0.410 156 L C 0.578 177.213 176.870 -0.391 0.000 1.187 156 L CA 0.706 55.365 54.840 -0.302 0.000 0.956 156 L CB -2.032 39.878 42.059 -0.248 0.000 2.022 156 L HN 0.989 nan 8.230 nan 0.000 0.897 157 A N -0.123 122.387 122.820 -0.516 0.000 2.311 157 A HA -0.214 4.056 4.320 -0.084 0.000 0.284 157 A C 1.412 178.613 177.584 -0.639 0.000 1.409 157 A CA 1.331 52.851 52.037 -0.862 0.000 0.764 157 A CB -1.176 17.000 19.000 -1.373 0.000 1.095 157 A HN 1.142 nan 8.150 nan 0.000 0.369 158 S N -1.023 114.410 115.700 -0.445 0.000 2.556 158 S HA 0.148 4.568 4.470 -0.084 0.000 0.216 158 S C 1.257 175.672 174.600 -0.308 0.000 0.970 158 S CA 0.133 58.122 58.200 -0.352 0.000 0.912 158 S CB 0.186 63.229 63.200 -0.262 0.000 0.790 158 S HN 0.630 nan 8.310 nan 0.000 0.504 159 R N 1.228 121.538 120.500 -0.316 0.000 2.334 159 R HA 0.450 4.739 4.340 -0.084 0.000 0.216 159 R C -0.188 175.932 176.300 -0.299 0.000 0.905 159 R CA 0.037 55.979 56.100 -0.263 0.000 1.064 159 R CB -0.083 30.099 30.300 -0.197 0.000 1.046 159 R HN 0.329 nan 8.270 nan 0.000 0.508 160 S N -0.368 115.151 115.700 -0.303 0.000 2.634 160 S HA 0.400 4.819 4.470 -0.084 0.000 0.296 160 S C -0.463 173.995 174.600 -0.236 0.000 1.104 160 S CA -0.493 57.577 58.200 -0.217 0.000 0.920 160 S CB 2.563 65.750 63.200 -0.022 0.000 1.111 160 S HN -0.060 nan 8.310 nan 0.000 0.493 161 T N 2.243 116.669 114.554 -0.212 0.000 2.747 161 T HA 0.389 4.689 4.350 -0.084 0.000 0.301 161 T C -0.348 174.226 174.700 -0.210 0.000 0.952 161 T CA -0.305 61.657 62.100 -0.230 0.000 0.983 161 T CB 0.071 68.823 68.868 -0.192 0.000 0.930 161 T HN 0.316 nan 8.240 nan 0.000 0.494 162 V N 6.259 126.054 119.914 -0.199 0.000 2.407 162 V HA 0.560 4.630 4.120 -0.084 0.000 0.278 162 V C 0.017 175.995 176.094 -0.195 0.000 1.037 162 V CA -0.666 61.538 62.300 -0.160 0.000 0.900 162 V CB 0.803 32.605 31.823 -0.034 0.000 0.983 162 V HN 0.712 nan 8.190 nan 0.000 0.459 163 L N 4.468 125.542 121.223 -0.249 0.000 2.376 163 L HA 0.702 4.992 4.340 -0.084 0.000 0.258 163 L C -0.624 176.169 176.870 -0.129 0.000 1.013 163 L CA -0.654 54.056 54.840 -0.216 0.000 0.822 163 L CB 2.466 44.354 42.059 -0.286 0.000 1.388 163 L HN 0.607 nan 8.230 nan 0.000 0.413 164 M N 1.732 121.283 119.600 -0.082 0.000 2.106 164 M HA 0.350 4.780 4.480 -0.084 0.000 0.288 164 M C -1.176 175.088 176.300 -0.060 0.000 0.941 164 M CA -0.092 55.211 55.300 0.004 0.000 0.934 164 M CB 1.070 33.687 32.600 0.028 0.000 1.551 164 M HN 0.649 nan 8.290 nan 0.000 0.437 165 D N 3.864 124.229 120.400 -0.059 0.000 2.751 165 D HA -0.183 4.407 4.640 -0.084 0.000 0.233 165 D C 0.924 177.175 176.300 -0.082 0.000 1.149 165 D CA 2.078 56.042 54.000 -0.059 0.000 0.682 165 D CB -1.335 39.453 40.800 -0.020 0.000 1.068 165 D HN 1.262 nan 8.370 nan 0.000 0.429 166 G N -1.101 107.617 108.800 -0.136 0.000 2.179 166 G HA2 -0.344 3.566 3.960 -0.084 0.000 0.260 166 G HA3 -0.344 3.566 3.960 -0.084 0.000 0.260 166 G C 0.445 175.274 174.900 -0.117 0.000 0.977 166 G CA 0.341 45.371 45.100 -0.116 0.000 0.641 166 G HN 0.552 nan 8.290 nan 0.000 0.533 167 I N 1.931 122.396 120.570 -0.176 0.000 2.396 167 I HA 0.308 4.427 4.170 -0.084 0.000 0.292 167 I C -2.003 173.890 176.117 -0.374 0.000 0.999 167 I CA -2.456 58.639 61.300 -0.341 0.000 1.310 167 I CB 1.407 39.203 38.000 -0.342 0.000 1.404 167 I HN -0.172 nan 8.210 nan 0.000 0.496 168 P HA -0.028 nan 4.420 nan 0.000 0.263 168 P C 0.671 177.783 177.300 -0.314 0.000 1.195 168 P CA 0.155 63.042 63.100 -0.353 0.000 0.762 168 P CB 0.680 32.194 31.700 -0.310 0.000 0.799 169 V N 5.374 125.146 119.914 -0.237 0.000 2.535 169 V HA 0.017 4.087 4.120 -0.084 0.000 0.246 169 V C -1.596 174.337 176.094 -0.269 0.000 1.045 169 V CA 1.047 63.223 62.300 -0.207 0.000 1.058 169 V CB -1.592 30.164 31.823 -0.112 0.000 0.689 169 V HN 0.582 nan 8.190 nan 0.000 0.461 170 P HA 0.028 nan 4.420 nan 0.000 0.271 170 P C 0.290 177.319 177.300 -0.452 0.000 1.216 170 P CA -0.003 62.783 63.100 -0.523 0.000 0.776 170 P CB 0.203 31.586 31.700 -0.528 0.000 0.881 171 F N 0.952 120.706 119.950 -0.327 0.000 2.771 171 F HA 0.385 4.861 4.527 -0.085 0.000 0.299 171 F C 0.776 176.392 175.800 -0.307 0.000 1.177 171 F CA -0.297 57.487 58.000 -0.359 0.000 1.450 171 F CB -0.808 37.840 39.000 -0.587 0.000 1.114 171 F HN 0.214 nan 8.300 nan 0.000 0.587 172 A N -0.087 122.552 122.820 -0.301 0.000 3.399 172 A HA 0.471 4.740 4.320 -0.084 0.000 0.262 172 A C -2.006 175.464 177.584 -0.191 0.000 1.145 172 A CA -0.905 51.107 52.037 -0.042 0.000 0.916 172 A CB -0.185 18.904 19.000 0.150 0.000 1.360 172 A HN -0.020 nan 8.150 nan 0.000 0.628 173 P HA -0.245 nan 4.420 nan 0.000 0.220 173 P C 0.811 177.893 177.300 -0.363 0.000 1.155 173 P CA 1.989 64.928 63.100 -0.268 0.000 0.880 173 P CB 0.028 31.633 31.700 -0.159 0.000 0.790 174 Y N -1.684 118.503 120.300 -0.188 0.000 2.222 174 Y HA 0.183 4.682 4.550 -0.084 0.000 0.290 174 Y C 2.842 178.530 175.900 -0.352 0.000 1.123 174 Y CA 1.475 59.453 58.100 -0.204 0.000 1.120 174 Y CB -1.413 36.971 38.460 -0.128 0.000 1.060 174 Y HN -0.143 nan 8.280 nan 0.000 0.508 175 G N -1.119 107.438 108.800 -0.406 0.000 2.432 175 G HA2 -0.130 3.780 3.960 -0.084 0.000 0.219 175 G HA3 -0.130 3.780 3.960 -0.084 0.000 0.219 175 G C 0.470 174.860 174.900 -0.850 0.000 1.135 175 G CA 0.892 45.180 45.100 -1.353 0.000 0.767 175 G HN 0.236 nan 8.290 nan 0.000 0.550 176 Q N -0.723 118.849 119.800 -0.380 0.000 3.891 176 Q HA 0.235 4.525 4.340 -0.084 0.000 0.190 176 Q C -2.189 173.618 176.000 -0.321 0.000 0.886 176 Q CA -1.147 54.545 55.803 -0.184 0.000 0.747 176 Q CB 2.192 31.016 28.738 0.143 0.000 1.476 176 Q HN 0.143 nan 8.270 nan 0.000 0.452 177 P HA -0.113 nan 4.420 nan 0.000 0.239 177 P C -0.374 176.648 177.300 -0.464 0.000 1.184 177 P CA 0.239 63.072 63.100 -0.444 0.000 0.760 177 P CB 0.500 31.974 31.700 -0.376 0.000 0.884 178 Q N 0.569 120.140 119.800 -0.381 0.000 2.262 178 Q HA 0.138 4.427 4.340 -0.084 0.000 0.272 178 Q C 0.510 176.269 176.000 -0.402 0.000 1.076 178 Q CA 0.406 56.019 55.803 -0.316 0.000 0.905 178 Q CB -0.016 28.622 28.738 -0.166 0.000 1.182 178 Q HN 0.254 nan 8.270 nan 0.000 0.390 179 L N 2.470 123.467 121.223 -0.377 0.000 2.533 179 L HA 0.039 4.328 4.340 -0.084 0.000 0.239 179 L C 1.023 177.764 176.870 -0.214 0.000 1.376 179 L CA -0.093 54.542 54.840 -0.342 0.000 1.240 179 L CB -0.663 41.210 42.059 -0.311 0.000 1.487 179 L HN 0.759 nan 8.230 nan 0.000 0.419 180 S N 0.427 116.066 115.700 -0.101 0.000 2.419 180 S HA -0.062 4.357 4.470 -0.084 0.000 0.233 180 S C 0.738 175.250 174.600 -0.147 0.000 1.016 180 S CA 0.517 58.611 58.200 -0.177 0.000 0.974 180 S CB 0.239 63.406 63.200 -0.055 0.000 0.786 180 S HN 0.466 nan 8.310 nan 0.000 0.492 181 L N 1.090 122.406 121.223 0.155 0.000 2.376 181 L HA 0.696 4.986 4.340 -0.084 0.000 0.275 181 L C -1.442 175.417 176.870 -0.019 0.000 0.987 181 L CA -0.559 54.412 54.840 0.219 0.000 0.828 181 L CB 1.796 44.077 42.059 0.370 0.000 1.249 181 L HN 0.208 nan 8.230 nan 0.000 0.409 182 A N 6.045 128.779 122.820 -0.143 0.000 2.586 182 A HA 0.627 4.896 4.320 -0.084 0.000 0.320 182 A C -2.448 174.823 177.584 -0.523 0.000 1.281 182 A CA -1.221 50.652 52.037 -0.273 0.000 0.775 182 A CB 0.519 19.394 19.000 -0.207 0.000 1.122 182 A HN 0.540 nan 8.150 nan 0.000 0.470 183 P HA 0.173 nan 4.420 nan 0.000 0.237 183 P C -0.402 176.522 177.300 -0.628 0.000 1.701 183 P CA 0.501 62.831 63.100 -1.285 0.000 0.955 183 P CB -0.461 30.775 31.700 -0.773 0.000 1.937 184 V N -3.330 116.311 119.914 -0.455 0.000 2.971 184 V HA 0.785 4.854 4.120 -0.084 0.000 0.309 184 V C -0.498 175.460 176.094 -0.227 0.000 1.130 184 V CA -0.904 61.209 62.300 -0.311 0.000 0.964 184 V CB 2.441 33.945 31.823 -0.531 0.000 1.029 184 V HN -0.082 nan 8.190 nan 0.000 0.427 185 S N 2.225 117.809 115.700 -0.193 0.000 2.547 185 S HA 0.560 4.979 4.470 -0.084 0.000 0.281 185 S C 0.294 174.764 174.600 -0.216 0.000 1.118 185 S CA -0.461 57.639 58.200 -0.168 0.000 0.947 185 S CB 1.816 64.964 63.200 -0.087 0.000 1.053 185 S HN 1.030 nan 8.310 nan 0.000 0.482 186 L N 3.769 124.841 121.223 -0.251 0.000 2.042 186 L HA 0.017 4.307 4.340 -0.084 0.000 0.210 186 L C 2.242 179.055 176.870 -0.095 0.000 1.076 186 L CA 2.435 57.116 54.840 -0.266 0.000 0.749 186 L CB -1.000 40.839 42.059 -0.367 0.000 0.893 186 L HN 0.923 nan 8.230 nan 0.000 0.432 187 G N -0.913 107.836 108.800 -0.084 0.000 2.462 187 G HA2 -0.290 3.620 3.960 -0.084 0.000 0.220 187 G HA3 -0.290 3.620 3.960 -0.084 0.000 0.220 187 G C 1.257 176.154 174.900 -0.005 0.000 1.121 187 G CA 0.893 45.976 45.100 -0.029 0.000 0.758 187 G HN 0.490 nan 8.290 nan 0.000 0.559 188 N N -0.060 118.626 118.700 -0.023 0.000 2.270 188 N HA 0.152 4.842 4.740 -0.084 0.000 0.198 188 N C 0.241 175.771 175.510 0.034 0.000 1.117 188 N CA 0.245 53.294 53.050 -0.001 0.000 0.845 188 N CB 0.325 38.805 38.487 -0.012 0.000 0.980 188 N HN 0.199 nan 8.380 nan 0.000 0.486 189 M N -0.110 119.540 119.600 0.084 0.000 2.472 189 M HA 0.238 4.668 4.480 -0.084 0.000 0.331 189 M C 0.636 177.037 176.300 0.167 0.000 1.170 189 M CA -0.445 54.941 55.300 0.144 0.000 1.009 189 M CB 1.571 34.287 32.600 0.193 0.000 1.672 189 M HN -0.229 nan 8.290 nan 0.000 0.453 190 D N 1.189 121.638 120.400 0.082 0.000 2.366 190 D HA 0.447 5.036 4.640 -0.084 0.000 0.205 190 D C -0.154 176.122 176.300 -0.040 0.000 1.022 190 D CA 0.577 54.562 54.000 -0.025 0.000 0.868 190 D CB 0.871 41.648 40.800 -0.039 0.000 0.953 190 D HN 0.691 nan 8.370 nan 0.000 0.514 191 A N -0.360 122.534 122.820 0.122 0.000 2.583 191 A HA 0.563 4.832 4.320 -0.084 0.000 0.292 191 A C -1.687 176.022 177.584 0.209 0.000 1.045 191 A CA -0.620 51.516 52.037 0.165 0.000 0.672 191 A CB 0.694 19.702 19.000 0.014 0.000 1.283 191 A HN -0.012 nan 8.150 nan 0.000 0.419 192 I N 1.696 122.374 120.570 0.179 0.000 2.410 192 I HA 0.319 4.439 4.170 -0.084 0.000 0.286 192 I C -1.162 174.897 176.117 -0.097 0.000 1.009 192 I CA -0.402 60.921 61.300 0.039 0.000 1.111 192 I CB 1.831 39.856 38.000 0.042 0.000 1.262 192 I HN 0.594 nan 8.210 nan 0.000 0.443 193 D N 6.662 126.935 120.400 -0.212 0.000 2.392 193 D HA 0.309 4.899 4.640 -0.084 0.000 0.228 193 D C -0.914 175.195 176.300 -0.318 0.000 1.074 193 D CA -0.226 53.636 54.000 -0.230 0.000 0.838 193 D CB 1.928 42.599 40.800 -0.216 0.000 1.067 193 D HN 0.076 nan 8.370 nan 0.000 0.511 194 V N 4.720 124.466 119.914 -0.281 0.000 2.311 194 V HA 0.215 4.285 4.120 -0.084 0.000 0.275 194 V C 0.244 176.176 176.094 -0.270 0.000 1.022 194 V CA -0.757 61.360 62.300 -0.306 0.000 0.830 194 V CB 1.587 33.235 31.823 -0.291 0.000 1.012 194 V HN 0.339 nan 8.190 nan 0.000 0.452 195 V N 6.728 126.482 119.914 -0.266 0.000 2.240 195 V HA 0.304 4.374 4.120 -0.084 0.000 0.265 195 V C 1.376 177.361 176.094 -0.181 0.000 1.073 195 V CA -0.383 61.771 62.300 -0.244 0.000 0.857 195 V CB 0.262 31.979 31.823 -0.177 0.000 1.114 195 V HN 0.799 nan 8.190 nan 0.000 0.469 196 R N 2.408 122.796 120.500 -0.186 0.000 2.189 196 R HA 0.143 4.433 4.340 -0.084 0.000 0.223 196 R C 0.992 177.209 176.300 -0.138 0.000 1.092 196 R CA 0.890 56.881 56.100 -0.181 0.000 0.989 196 R CB 0.343 30.517 30.300 -0.210 0.000 0.876 196 R HN 0.707 nan 8.270 nan 0.000 0.457 197 G N -2.242 106.502 108.800 -0.094 0.000 2.718 197 G HA2 0.434 4.343 3.960 -0.084 0.000 0.295 197 G HA3 0.434 4.343 3.960 -0.084 0.000 0.295 197 G C 0.042 174.940 174.900 -0.003 0.000 1.421 197 G CA -0.152 44.912 45.100 -0.060 0.000 0.902 197 G HN 0.069 nan 8.290 nan 0.000 0.501 198 G N -0.995 107.777 108.800 -0.046 0.000 2.141 198 G HA2 0.095 4.005 3.960 -0.084 0.000 0.242 198 G HA3 0.095 4.005 3.960 -0.084 0.000 0.242 198 G C 1.011 175.954 174.900 0.071 0.000 0.982 198 G CA 0.963 45.996 45.100 -0.111 0.000 0.662 198 G HN 1.921 nan 8.290 nan 0.000 0.527 199 G N -0.696 108.222 108.800 0.196 0.000 3.274 199 G HA2 0.558 4.468 3.960 -0.084 0.000 0.250 199 G HA3 0.558 4.468 3.960 -0.084 0.000 0.250 199 G C 1.427 176.493 174.900 0.277 0.000 1.024 199 G CA 1.599 46.971 45.100 0.453 0.000 0.840 199 G HN 1.335 nan 8.290 nan 0.000 0.522 200 A N 0.290 123.184 122.820 0.123 0.000 2.121 200 A HA 0.213 4.483 4.320 -0.084 0.000 0.218 200 A C 2.275 179.900 177.584 0.068 0.000 1.154 200 A CA 1.338 53.421 52.037 0.076 0.000 0.679 200 A CB -0.130 18.890 19.000 0.033 0.000 0.795 200 A HN 0.230 nan 8.150 nan 0.000 0.458 201 V N -0.526 119.414 119.914 0.043 0.000 2.446 201 V HA -0.110 3.960 4.120 -0.084 0.000 0.244 201 V C 2.432 178.405 176.094 -0.200 0.000 1.039 201 V CA 1.785 64.087 62.300 0.003 0.000 1.045 201 V CB -0.530 31.313 31.823 0.032 0.000 0.681 201 V HN 0.532 nan 8.190 nan 0.000 0.459 202 R N -1.703 118.510 120.500 -0.478 0.000 2.254 202 R HA 0.137 4.427 4.340 -0.084 0.000 0.195 202 R C -0.407 175.211 176.300 -1.137 0.000 0.957 202 R CA 0.346 55.729 56.100 -1.195 0.000 1.024 202 R CB 0.217 29.573 30.300 -1.573 0.000 0.952 202 R HN 0.432 nan 8.270 nan 0.000 0.484 203 Y N -0.617 119.595 120.300 -0.146 0.000 2.462 203 Y HA 0.657 5.156 4.550 -0.084 0.000 0.346 203 Y C 0.544 176.398 175.900 -0.078 0.000 0.976 203 Y CA -0.949 57.081 58.100 -0.118 0.000 1.044 203 Y CB 2.546 40.916 38.460 -0.151 0.000 1.230 203 Y HN -0.006 nan 8.280 nan 0.000 0.455 204 G N 1.789 110.611 108.800 0.037 0.000 2.441 204 G HA2 0.509 4.418 3.960 -0.084 0.000 0.294 204 G HA3 0.509 4.418 3.960 -0.084 0.000 0.294 204 G C -3.349 171.403 174.900 -0.247 0.000 1.393 204 G CA -1.153 43.893 45.100 -0.091 0.000 0.796 204 G HN 0.321 nan 8.290 nan 0.000 0.494 205 P HA 0.290 nan 4.420 nan 0.000 0.328 205 P C -0.805 176.078 177.300 -0.695 0.000 1.305 205 P CA 0.093 62.718 63.100 -0.791 0.000 0.745 205 P CB 0.609 31.699 31.700 -1.017 0.000 1.462 206 Q N -1.785 117.522 119.800 -0.820 0.000 2.468 206 Q HA -0.118 4.172 4.340 -0.084 0.000 0.289 206 Q C 0.772 176.515 176.000 -0.428 0.000 1.299 206 Q CA 1.059 56.542 55.803 -0.534 0.000 0.838 206 Q CB -3.310 25.173 28.738 -0.425 0.000 1.195 206 Q HN 0.656 nan 8.270 nan 0.000 0.456 207 S N -2.786 112.659 115.700 -0.425 0.000 2.593 207 S HA 0.139 4.559 4.470 -0.084 0.000 0.217 207 S C 1.568 176.010 174.600 -0.263 0.000 0.966 207 S CA 0.355 58.399 58.200 -0.260 0.000 0.914 207 S CB 0.220 63.340 63.200 -0.133 0.000 0.776 207 S HN 0.229 nan 8.310 nan 0.000 0.523 208 V N 1.934 121.620 119.914 -0.380 0.000 2.392 208 V HA -0.049 4.020 4.120 -0.084 0.000 0.249 208 V C 2.365 178.214 176.094 -0.410 0.000 1.059 208 V CA 1.882 63.888 62.300 -0.490 0.000 1.051 208 V CB -1.288 29.954 31.823 -0.967 0.000 0.658 208 V HN 0.690 nan 8.190 nan 0.000 0.455 209 G N -1.056 107.530 108.800 -0.356 0.000 3.440 209 G HA2 0.468 4.378 3.960 -0.084 0.000 0.263 209 G HA3 0.468 4.378 3.960 -0.084 0.000 0.263 209 G C 0.798 175.574 174.900 -0.207 0.000 1.236 209 G CA 0.595 45.528 45.100 -0.278 0.000 0.927 209 G HN 0.915 nan 8.290 nan 0.000 0.530 210 G N -0.969 107.711 108.800 -0.201 0.000 2.598 210 G HA2 -0.101 3.808 3.960 -0.084 0.000 0.244 210 G HA3 -0.101 3.808 3.960 -0.084 0.000 0.244 210 G C -0.486 174.325 174.900 -0.149 0.000 1.302 210 G CA -0.159 44.849 45.100 -0.154 0.000 0.903 210 G HN 0.918 nan 8.290 nan 0.000 0.575 211 V N -0.480 119.337 119.914 -0.161 0.000 2.656 211 V HA 0.653 4.722 4.120 -0.084 0.000 0.307 211 V C 0.105 176.016 176.094 -0.305 0.000 1.051 211 V CA -0.611 61.553 62.300 -0.227 0.000 0.893 211 V CB 1.867 33.526 31.823 -0.273 0.000 0.999 211 V HN 1.074 nan 8.190 nan 0.000 0.426 212 V N 3.546 123.239 119.914 -0.368 0.000 2.376 212 V HA 0.469 4.538 4.120 -0.084 0.000 0.287 212 V C -0.473 175.177 176.094 -0.740 0.000 1.015 212 V CA -0.589 61.383 62.300 -0.547 0.000 0.834 212 V CB 1.589 33.074 31.823 -0.563 0.000 1.001 212 V HN 0.919 nan 8.190 nan 0.000 0.428 213 N N 3.639 121.908 118.700 -0.718 0.000 2.392 213 N HA 0.577 5.267 4.740 -0.084 0.000 0.283 213 N C -1.289 173.840 175.510 -0.635 0.000 1.003 213 N CA -0.450 52.210 53.050 -0.650 0.000 0.892 213 N CB 1.085 39.290 38.487 -0.469 0.000 1.193 213 N HN 0.361 nan 8.380 nan 0.000 0.487 214 F N 2.919 122.769 119.950 -0.167 0.000 2.350 214 F HA 0.305 4.783 4.527 -0.083 0.000 0.365 214 F C 0.153 175.894 175.800 -0.097 0.000 1.122 214 F CA -0.852 57.072 58.000 -0.126 0.000 1.139 214 F CB 0.769 39.692 39.000 -0.129 0.000 1.220 214 F HN 0.085 nan 8.300 nan 0.000 0.499 215 V N 3.554 123.510 119.914 0.070 0.000 2.408 215 V HA 0.180 4.249 4.120 -0.084 0.000 0.267 215 V C 0.584 176.713 176.094 0.058 0.000 1.047 215 V CA -0.719 61.598 62.300 0.027 0.000 0.937 215 V CB 0.609 32.430 31.823 -0.004 0.000 0.999 215 V HN 0.857 nan 8.190 nan 0.000 0.472 216 T N 4.219 118.797 114.554 0.040 0.000 2.860 216 T HA 0.302 4.601 4.350 -0.084 0.000 0.299 216 T C 0.421 175.133 174.700 0.021 0.000 1.045 216 T CA -0.870 61.252 62.100 0.037 0.000 1.071 216 T CB 0.488 69.374 68.868 0.030 0.000 0.985 216 T HN 0.501 nan 8.240 nan 0.000 0.537 217 R N 1.126 121.636 120.500 0.017 0.000 2.583 217 R HA 0.266 4.556 4.340 -0.084 0.000 0.274 217 R C 0.661 176.955 176.300 -0.010 0.000 0.998 217 R CA 0.074 56.172 56.100 -0.003 0.000 1.081 217 R CB -0.377 29.918 30.300 -0.008 0.000 0.940 217 R HN 0.923 nan 8.270 nan 0.000 0.413 218 A N 4.245 127.052 122.820 -0.022 0.000 2.371 218 A HA 0.284 4.554 4.320 -0.084 0.000 0.257 218 A C 0.649 178.217 177.584 -0.027 0.000 1.089 218 A CA -0.516 51.508 52.037 -0.021 0.000 0.794 218 A CB 0.273 19.258 19.000 -0.026 0.000 1.029 218 A HN 0.702 nan 8.150 nan 0.000 0.488 219 I N 2.908 123.464 120.570 -0.023 0.000 2.533 219 I HA 0.125 4.244 4.170 -0.084 0.000 0.284 219 I C -1.883 174.215 176.117 -0.032 0.000 1.109 219 I CA -1.342 59.939 61.300 -0.033 0.000 1.412 219 I CB 0.684 38.662 38.000 -0.036 0.000 1.396 219 I HN 0.448 nan 8.210 nan 0.000 0.543 220 P HA 0.028 nan 4.420 nan 0.000 0.269 220 P C 0.197 177.492 177.300 -0.007 0.000 1.209 220 P CA -0.323 62.756 63.100 -0.036 0.000 0.776 220 P CB 0.599 32.258 31.700 -0.068 0.000 0.876 221 Q N 0.832 120.636 119.800 0.007 0.000 1.990 221 Q HA -0.077 4.212 4.340 -0.084 0.000 0.200 221 Q C 0.290 176.322 176.000 0.054 0.000 0.980 221 Q CA 1.700 57.519 55.803 0.027 0.000 0.832 221 Q CB -0.377 28.376 28.738 0.025 0.000 0.897 221 Q HN 0.517 nan 8.270 nan 0.000 0.427 222 D N -0.761 119.677 120.400 0.063 0.000 2.391 222 D HA 0.172 4.762 4.640 -0.084 0.000 0.245 222 D C -0.992 175.399 176.300 0.151 0.000 1.069 222 D CA -0.790 53.277 54.000 0.112 0.000 0.831 222 D CB 0.515 41.375 40.800 0.101 0.000 1.204 222 D HN -0.085 nan 8.370 nan 0.000 0.503 223 F N 2.796 122.770 119.950 0.039 0.000 2.338 223 F HA 0.167 4.644 4.527 -0.084 0.000 0.423 223 F C 0.523 176.358 175.800 0.059 0.000 0.916 223 F CA 1.246 59.274 58.000 0.047 0.000 1.136 223 F CB 0.259 39.290 39.000 0.052 0.000 0.872 223 F HN 0.306 nan 8.300 nan 0.000 0.538 224 G N 6.672 115.134 108.800 -0.564 0.000 2.718 224 G HA2 0.622 4.532 3.960 -0.084 0.000 0.295 224 G HA3 0.622 4.532 3.960 -0.084 0.000 0.295 224 G C -1.801 172.782 174.900 -0.528 0.000 1.421 224 G CA -0.891 43.995 45.100 -0.358 0.000 0.902 224 G HN 0.717 nan 8.290 nan 0.000 0.501 225 I N 0.561 121.005 120.570 -0.210 0.000 2.498 225 I HA 0.431 4.550 4.170 -0.084 0.000 0.290 225 I C -0.684 175.280 176.117 -0.254 0.000 1.032 225 I CA -0.627 60.584 61.300 -0.148 0.000 1.073 225 I CB 2.634 40.753 38.000 0.198 0.000 1.251 225 I HN 0.384 nan 8.210 nan 0.000 0.426 226 E N 4.743 124.813 120.200 -0.216 0.000 2.246 226 E HA 0.751 5.051 4.350 -0.084 0.000 0.266 226 E C -1.254 175.251 176.600 -0.159 0.000 0.880 226 E CA -0.793 55.460 56.400 -0.245 0.000 0.762 226 E CB 2.733 32.331 29.700 -0.169 0.000 1.180 226 E HN 0.659 nan 8.360 nan 0.000 0.416 227 A N 2.069 124.779 122.820 -0.184 0.000 2.414 227 A HA 0.895 5.164 4.320 -0.084 0.000 0.306 227 A C -0.498 177.060 177.584 -0.043 0.000 1.054 227 A CA -0.428 51.571 52.037 -0.063 0.000 0.724 227 A CB 1.918 20.904 19.000 -0.024 0.000 1.267 227 A HN 0.601 nan 8.150 nan 0.000 0.418 228 G N -0.812 107.997 108.800 0.015 0.000 2.690 228 G HA2 0.745 4.654 3.960 -0.084 0.000 0.291 228 G HA3 0.745 4.654 3.960 -0.084 0.000 0.291 228 G C -1.691 173.231 174.900 0.036 0.000 1.403 228 G CA -0.281 44.827 45.100 0.015 0.000 0.864 228 G HN 1.867 nan 8.290 nan 0.000 0.480 229 V N -0.611 119.305 119.914 0.003 0.000 3.077 229 V HA 0.844 4.913 4.120 -0.084 0.000 0.299 229 V C -1.751 174.306 176.094 -0.061 0.000 1.276 229 V CA -0.707 61.547 62.300 -0.077 0.000 0.993 229 V CB 2.148 33.926 31.823 -0.075 0.000 1.076 229 V HN 1.035 nan 8.190 nan 0.000 0.434 230 E N 2.960 123.094 120.200 -0.111 0.000 2.308 230 E HA 0.736 5.035 4.350 -0.084 0.000 0.275 230 E C -0.792 175.779 176.600 -0.049 0.000 0.890 230 E CA -0.348 56.032 56.400 -0.034 0.000 0.754 230 E CB 2.181 31.861 29.700 -0.033 0.000 1.207 230 E HN 1.092 nan 8.360 nan 0.000 0.426 231 G N 2.779 111.596 108.800 0.029 0.000 2.495 231 G HA2 0.527 4.436 3.960 -0.084 0.000 0.318 231 G HA3 0.527 4.436 3.960 -0.084 0.000 0.318 231 G C -1.132 173.828 174.900 0.099 0.000 1.257 231 G CA -0.367 44.755 45.100 0.037 0.000 0.962 231 G HN 0.449 nan 8.290 nan 0.000 0.483 232 Q N -0.014 119.837 119.800 0.085 0.000 2.451 232 Q HA 0.766 5.056 4.340 -0.084 0.000 0.281 232 Q C -1.281 174.779 176.000 0.100 0.000 1.099 232 Q CA -0.756 55.120 55.803 0.121 0.000 0.806 232 Q CB 3.306 32.108 28.738 0.107 0.000 1.419 232 Q HN 0.419 nan 8.270 nan 0.000 0.427 233 L N 0.362 121.649 121.223 0.107 0.000 2.545 233 L HA 0.393 4.682 4.340 -0.084 0.000 0.258 233 L C -1.143 175.763 176.870 0.060 0.000 0.942 233 L CA -0.487 54.397 54.840 0.074 0.000 0.855 233 L CB 2.728 44.823 42.059 0.060 0.000 1.374 233 L HN 0.544 nan 8.230 nan 0.000 0.411 234 S N 2.636 118.351 115.700 0.026 0.000 2.512 234 S HA 0.275 4.694 4.470 -0.084 0.000 0.291 234 S C -1.920 172.609 174.600 -0.118 0.000 1.151 234 S CA -1.072 57.107 58.200 -0.036 0.000 1.120 234 S CB 1.198 64.381 63.200 -0.029 0.000 1.029 234 S HN 0.421 nan 8.310 nan 0.000 0.485 235 P HA -0.162 nan 4.420 nan 0.000 0.216 235 P C 1.682 178.904 177.300 -0.130 0.000 1.150 235 P CA 1.278 64.333 63.100 -0.074 0.000 0.843 235 P CB -0.111 31.577 31.700 -0.020 0.000 0.787 236 T N -5.397 109.055 114.554 -0.170 0.000 3.113 236 T HA 0.088 4.387 4.350 -0.084 0.000 0.256 236 T C 0.970 175.366 174.700 -0.505 0.000 1.131 236 T CA -0.086 61.913 62.100 -0.169 0.000 1.074 236 T CB -0.526 68.350 68.868 0.012 0.000 0.944 236 T HN -0.007 nan 8.240 nan 0.000 0.516 237 S N 1.274 116.441 115.700 -0.888 0.000 2.617 237 S HA 0.352 4.772 4.470 -0.084 0.000 0.269 237 S C 1.563 175.718 174.600 -0.741 0.000 1.292 237 S CA -0.136 57.107 58.200 -1.595 0.000 1.010 237 S CB 1.107 63.601 63.200 -1.176 0.000 0.944 237 S HN 0.507 nan 8.310 nan 0.000 0.536 238 S N 2.185 117.532 115.700 -0.588 0.000 2.522 238 S HA 0.060 4.479 4.470 -0.084 0.000 0.227 238 S C 0.776 175.314 174.600 -0.104 0.000 0.986 238 S CA 0.089 58.197 58.200 -0.154 0.000 0.929 238 S CB -0.169 63.062 63.200 0.051 0.000 0.769 238 S HN 0.715 nan 8.310 nan 0.000 0.529 239 Q N 2.266 121.985 119.800 -0.136 0.000 2.307 239 Q HA 0.277 4.567 4.340 -0.084 0.000 0.261 239 Q C -0.319 175.643 176.000 -0.063 0.000 1.051 239 Q CA 0.263 56.030 55.803 -0.059 0.000 0.911 239 Q CB 0.121 28.842 28.738 -0.029 0.000 1.227 239 Q HN 0.616 nan 8.270 nan 0.000 0.418 240 N N 2.485 121.164 118.700 -0.035 0.000 2.353 240 N HA 0.025 4.715 4.740 -0.084 0.000 0.185 240 N C -0.374 175.132 175.510 -0.006 0.000 1.098 240 N CA -0.187 52.848 53.050 -0.024 0.000 0.872 240 N CB 0.453 38.930 38.487 -0.017 0.000 0.970 240 N HN 0.395 nan 8.380 nan 0.000 0.467 241 N N 2.552 121.251 118.700 -0.002 0.000 2.497 241 N HA 0.139 4.828 4.740 -0.084 0.000 0.271 241 N C -2.378 173.140 175.510 0.013 0.000 1.142 241 N CA -0.815 52.239 53.050 0.007 0.000 0.965 241 N CB 0.968 39.458 38.487 0.006 0.000 1.077 241 N HN 0.135 nan 8.380 nan 0.000 0.462 242 P HA 0.213 nan 4.420 nan 0.000 0.277 242 P C -0.745 176.572 177.300 0.028 0.000 1.271 242 P CA -0.403 62.716 63.100 0.032 0.000 0.795 242 P CB 1.411 33.134 31.700 0.038 0.000 1.101 243 K N 0.385 120.805 120.400 0.033 0.000 2.274 243 K HA 0.293 4.563 4.320 -0.084 0.000 0.262 243 K C -0.565 176.038 176.600 0.004 0.000 0.961 243 K CA -0.510 55.788 56.287 0.019 0.000 0.833 243 K CB 1.013 33.529 32.500 0.025 0.000 1.102 243 K HN 0.447 nan 8.250 nan 0.000 0.436 244 E N 2.989 123.182 120.200 -0.011 0.000 2.234 244 E HA 0.322 4.621 4.350 -0.084 0.000 0.266 244 E C -1.484 175.054 176.600 -0.103 0.000 0.877 244 E CA -0.674 55.686 56.400 -0.067 0.000 0.758 244 E CB 1.860 31.546 29.700 -0.024 0.000 1.170 244 E HN 0.501 nan 8.360 nan 0.000 0.415 245 T N 3.903 118.334 114.554 -0.204 0.000 2.848 245 T HA 0.396 4.695 4.350 -0.084 0.000 0.285 245 T C -0.987 173.544 174.700 -0.283 0.000 0.995 245 T CA -0.717 61.283 62.100 -0.167 0.000 0.970 245 T CB 0.838 69.636 68.868 -0.117 0.000 0.976 245 T HN 0.369 nan 8.240 nan 0.000 0.441 246 H N 3.038 122.088 119.070 -0.034 0.000 2.622 246 H HA 0.520 5.024 4.556 -0.086 0.000 0.363 246 H C -0.313 174.969 175.328 -0.077 0.000 1.151 246 H CA -0.824 55.222 56.048 -0.003 0.000 1.184 246 H CB 2.125 31.944 29.762 0.094 0.000 1.643 246 H HN 0.747 nan 8.280 nan 0.000 0.531 247 N N 2.070 120.835 118.700 0.108 0.000 2.287 247 N HA 0.343 5.032 4.740 -0.084 0.000 0.289 247 N C -1.722 173.850 175.510 0.104 0.000 1.066 247 N CA -0.739 52.328 53.050 0.028 0.000 0.841 247 N CB 2.788 41.263 38.487 -0.021 0.000 1.599 247 N HN 0.224 nan 8.380 nan 0.000 0.476 248 L N 1.420 122.732 121.223 0.148 0.000 2.386 248 L HA 0.648 4.937 4.340 -0.084 0.000 0.271 248 L C -1.300 175.624 176.870 0.090 0.000 0.993 248 L CA -0.482 54.441 54.840 0.138 0.000 0.819 248 L CB 2.076 44.263 42.059 0.212 0.000 1.294 248 L HN 0.789 nan 8.230 nan 0.000 0.414 249 M N 5.906 125.521 119.600 0.024 0.000 2.204 249 M HA 0.592 5.022 4.480 -0.084 0.000 0.293 249 M C -2.060 174.207 176.300 -0.055 0.000 0.994 249 M CA -0.549 54.745 55.300 -0.010 0.000 0.925 249 M CB 1.762 34.338 32.600 -0.040 0.000 1.577 249 M HN 0.427 nan 8.290 nan 0.000 0.439 250 V N 4.281 124.166 119.914 -0.049 0.000 2.482 250 V HA 0.943 5.012 4.120 -0.084 0.000 0.295 250 V C 0.108 176.127 176.094 -0.125 0.000 1.026 250 V CA -0.438 61.792 62.300 -0.117 0.000 0.856 250 V CB 1.392 33.217 31.823 0.003 0.000 1.001 250 V HN 1.022 nan 8.190 nan 0.000 0.424 251 G N 2.155 110.796 108.800 -0.265 0.000 2.600 251 G HA2 0.890 4.800 3.960 -0.084 0.000 0.293 251 G HA3 0.890 4.800 3.960 -0.084 0.000 0.293 251 G C -0.597 174.219 174.900 -0.140 0.000 1.408 251 G CA -0.029 44.988 45.100 -0.138 0.000 0.782 251 G HN 1.294 nan 8.290 nan 0.000 0.482 252 G N -1.566 107.230 108.800 -0.007 0.000 2.340 252 G HA2 0.652 4.562 3.960 -0.084 0.000 0.300 252 G HA3 0.652 4.562 3.960 -0.084 0.000 0.300 252 G C -0.707 174.228 174.900 0.058 0.000 1.488 252 G CA 0.552 45.690 45.100 0.063 0.000 0.878 252 G HN 1.708 nan 8.290 nan 0.000 0.618 253 T N -1.476 113.119 114.554 0.069 0.000 2.829 253 T HA 0.865 5.164 4.350 -0.084 0.000 0.280 253 T C 0.518 175.287 174.700 0.116 0.000 0.999 253 T CA 0.373 62.510 62.100 0.061 0.000 0.983 253 T CB 1.782 70.678 68.868 0.047 0.000 0.968 253 T HN 1.987 nan 8.240 nan 0.000 0.446 254 A N 1.691 124.605 122.820 0.158 0.000 2.272 254 A HA 0.648 4.918 4.320 -0.084 0.000 0.275 254 A C 1.611 179.288 177.584 0.156 0.000 1.096 254 A CA 0.125 52.265 52.037 0.173 0.000 0.822 254 A CB -0.704 18.432 19.000 0.228 0.000 1.088 254 A HN 1.130 nan 8.150 nan 0.000 0.495 255 D N -0.090 120.388 120.400 0.131 0.000 2.178 255 D HA -0.179 4.410 4.640 -0.084 0.000 0.201 255 D C 1.177 177.557 176.300 0.132 0.000 0.980 255 D CA 1.716 55.782 54.000 0.111 0.000 0.842 255 D CB -0.884 39.969 40.800 0.088 0.000 0.948 255 D HN 0.775 nan 8.370 nan 0.000 0.472 256 N N -1.254 117.548 118.700 0.171 0.000 2.571 256 N HA 0.269 4.958 4.740 -0.084 0.000 0.189 256 N C 1.680 177.350 175.510 0.267 0.000 1.154 256 N CA 1.277 54.453 53.050 0.209 0.000 0.907 256 N CB 0.248 38.875 38.487 0.233 0.000 0.977 256 N HN 0.717 nan 8.380 nan 0.000 0.449 257 G N -1.284 107.664 108.800 0.247 0.000 2.176 257 G HA2 -0.275 3.634 3.960 -0.084 0.000 0.232 257 G HA3 -0.275 3.634 3.960 -0.084 0.000 0.232 257 G C -0.334 174.797 174.900 0.385 0.000 0.986 257 G CA 0.000 45.237 45.100 0.228 0.000 0.643 257 G HN 0.433 nan 8.290 nan 0.000 0.522 258 F N 2.818 122.975 119.950 0.344 0.000 2.438 258 F HA 0.608 5.084 4.527 -0.084 0.000 0.360 258 F C 0.715 176.638 175.800 0.204 0.000 1.118 258 F CA -0.282 57.923 58.000 0.340 0.000 1.164 258 F CB 0.627 39.740 39.000 0.189 0.000 1.131 258 F HN 0.268 nan 8.300 nan 0.000 0.527 259 G N 3.469 112.035 108.800 -0.390 0.000 2.417 259 G HA2 0.577 4.487 3.960 -0.084 0.000 0.334 259 G HA3 0.577 4.487 3.960 -0.084 0.000 0.334 259 G C -1.319 173.213 174.900 -0.612 0.000 1.150 259 G CA -0.600 44.285 45.100 -0.357 0.000 0.923 259 G HN 0.692 nan 8.290 nan 0.000 0.485 260 T N -1.115 113.235 114.554 -0.340 0.000 2.942 260 T HA 0.666 4.965 4.350 -0.084 0.000 0.327 260 T C -1.292 173.365 174.700 -0.071 0.000 1.360 260 T CA 0.210 62.170 62.100 -0.233 0.000 1.055 260 T CB 1.455 70.188 68.868 -0.226 0.000 1.261 260 T HN 1.570 nan 8.240 nan 0.000 0.485 261 A N 2.810 125.613 122.820 -0.028 0.000 2.517 261 A HA 0.763 5.032 4.320 -0.084 0.000 0.297 261 A C -1.801 175.801 177.584 0.029 0.000 1.050 261 A CA -0.613 51.420 52.037 -0.006 0.000 0.694 261 A CB 1.521 20.506 19.000 -0.025 0.000 1.277 261 A HN 0.766 nan 8.150 nan 0.000 0.400 262 L N 2.717 123.965 121.223 0.042 0.000 2.264 262 L HA 0.671 4.961 4.340 -0.084 0.000 0.289 262 L C -1.075 175.841 176.870 0.076 0.000 1.044 262 L CA -0.192 54.691 54.840 0.072 0.000 0.807 262 L CB 0.695 42.802 42.059 0.080 0.000 1.192 262 L HN 0.592 nan 8.230 nan 0.000 0.425 263 L N 6.262 127.543 121.223 0.096 0.000 2.298 263 L HA 0.414 4.703 4.340 -0.084 0.000 0.284 263 L C -1.321 175.644 176.870 0.158 0.000 1.013 263 L CA -0.741 54.156 54.840 0.094 0.000 0.824 263 L CB 1.301 43.395 42.059 0.058 0.000 1.221 263 L HN 0.552 nan 8.230 nan 0.000 0.418 264 Y N 2.781 123.100 120.300 0.031 0.000 2.409 264 Y HA 0.621 5.120 4.550 -0.086 0.000 0.343 264 Y C -0.608 175.312 175.900 0.034 0.000 0.973 264 Y CA -0.610 57.511 58.100 0.035 0.000 1.064 264 Y CB 2.227 40.706 38.460 0.031 0.000 1.207 264 Y HN 0.492 nan 8.280 nan 0.000 0.452 265 S N 3.415 118.538 115.700 -0.962 0.000 2.571 265 S HA 0.860 5.279 4.470 -0.084 0.000 0.284 265 S C -0.896 173.119 174.600 -0.975 0.000 1.128 265 S CA -0.118 57.645 58.200 -0.728 0.000 0.970 265 S CB 1.081 64.095 63.200 -0.309 0.000 1.039 265 S HN 1.212 nan 8.310 nan 0.000 0.485 266 G N 1.820 110.262 108.800 -0.597 0.000 2.667 266 G HA2 0.647 4.557 3.960 -0.084 0.000 0.298 266 G HA3 0.647 4.557 3.960 -0.084 0.000 0.298 266 G C -1.346 173.524 174.900 -0.049 0.000 1.377 266 G CA -0.419 44.523 45.100 -0.263 0.000 0.964 266 G HN 0.630 nan 8.290 nan 0.000 0.493 267 T N 1.630 116.169 114.554 -0.026 0.000 2.861 267 T HA 0.715 5.015 4.350 -0.084 0.000 0.287 267 T C -0.602 174.117 174.700 0.031 0.000 1.003 267 T CA -0.704 61.395 62.100 -0.002 0.000 0.977 267 T CB 1.609 70.458 68.868 -0.032 0.000 0.996 267 T HN 0.403 nan 8.240 nan 0.000 0.448 268 R N 1.470 121.999 120.500 0.047 0.000 2.564 268 R HA 0.794 5.083 4.340 -0.084 0.000 0.284 268 R C 0.034 176.352 176.300 0.030 0.000 1.031 268 R CA -0.552 55.577 56.100 0.048 0.000 0.904 268 R CB 1.805 32.157 30.300 0.087 0.000 1.199 268 R HN 1.074 nan 8.270 nan 0.000 0.443 269 G N 0.624 109.434 108.800 0.016 0.000 2.316 269 G HA2 -0.040 3.870 3.960 -0.084 0.000 0.349 269 G HA3 -0.040 3.870 3.960 -0.084 0.000 0.349 269 G C -1.382 173.512 174.900 -0.009 0.000 1.274 269 G CA -0.779 44.326 45.100 0.008 0.000 1.018 269 G HN 0.475 nan 8.290 nan 0.000 0.486 270 S N 0.040 115.733 115.700 -0.012 0.000 2.599 270 S HA 0.753 5.173 4.470 -0.084 0.000 0.294 270 S C -0.135 174.443 174.600 -0.036 0.000 1.094 270 S CA -0.004 58.175 58.200 -0.036 0.000 0.931 270 S CB 1.925 65.107 63.200 -0.030 0.000 1.093 270 S HN 1.064 nan 8.310 nan 0.000 0.488 271 D N -0.102 120.235 120.400 -0.104 0.000 2.440 271 D HA 0.223 4.813 4.640 -0.084 0.000 0.282 271 D C 1.057 177.338 176.300 -0.031 0.000 1.189 271 D CA -0.621 53.321 54.000 -0.098 0.000 1.105 271 D CB -0.373 40.176 40.800 -0.419 0.000 1.173 271 D HN 0.682 nan 8.370 nan 0.000 0.577 272 W N -1.228 120.094 121.300 0.037 0.000 2.937 272 W HA 0.297 4.911 4.660 -0.076 0.000 0.245 272 W C 0.221 176.813 176.519 0.122 0.000 1.306 272 W CA -0.513 56.834 57.345 0.004 0.000 1.470 272 W CB -0.030 29.448 29.460 0.031 0.000 1.132 272 W HN -0.231 nan 8.180 nan 0.000 0.675 273 R N 2.120 122.481 120.500 -0.231 0.000 2.540 273 R HA 0.208 4.497 4.340 -0.084 0.000 0.287 273 R C 0.373 176.679 176.300 0.011 0.000 0.980 273 R CA -0.695 55.386 56.100 -0.031 0.000 0.966 273 R CB 0.827 31.030 30.300 -0.162 0.000 1.106 273 R HN 0.033 nan 8.270 nan 0.000 0.480 274 E N 0.749 121.004 120.200 0.092 0.000 2.392 274 E HA 0.018 4.318 4.350 -0.084 0.000 0.259 274 E C 0.009 176.688 176.600 0.131 0.000 1.108 274 E CA -0.111 56.344 56.400 0.091 0.000 0.916 274 E CB 0.211 29.971 29.700 0.099 0.000 0.989 274 E HN 0.541 nan 8.360 nan 0.000 0.432 275 H N -0.092 118.973 119.070 -0.008 0.000 2.748 275 H HA -0.182 4.331 4.556 -0.071 0.000 0.322 275 H C -0.236 175.093 175.328 0.001 0.000 1.208 275 H CA 0.803 56.849 56.048 -0.004 0.000 1.151 275 H CB -1.411 28.346 29.762 -0.008 0.000 1.505 275 H HN 0.351 nan 8.280 nan 0.000 0.429 276 S N -1.142 114.506 115.700 -0.087 0.000 2.900 276 S HA 0.586 5.005 4.470 -0.084 0.000 0.253 276 S C 0.874 175.420 174.600 -0.090 0.000 1.029 276 S CA -0.111 58.025 58.200 -0.107 0.000 1.096 276 S CB 0.452 63.583 63.200 -0.116 0.000 1.067 276 S HN 0.825 nan 8.310 nan 0.000 0.610 277 A N 1.799 124.564 122.820 -0.091 0.000 2.573 277 A HA 0.474 4.743 4.320 -0.084 0.000 0.250 277 A C 0.329 177.886 177.584 -0.044 0.000 1.049 277 A CA 0.542 52.547 52.037 -0.054 0.000 0.767 277 A CB -0.272 18.701 19.000 -0.045 0.000 0.965 277 A HN 0.408 nan 8.150 nan 0.000 0.514 278 T N 2.597 117.139 114.554 -0.020 0.000 2.900 278 T HA 0.658 4.957 4.350 -0.084 0.000 0.295 278 T C -0.272 174.429 174.700 0.002 0.000 1.044 278 T CA -0.579 61.519 62.100 -0.003 0.000 0.995 278 T CB 1.385 70.258 68.868 0.008 0.000 1.072 278 T HN 0.764 nan 8.240 nan 0.000 0.473 279 R N 2.702 123.203 120.500 0.002 0.000 2.514 279 R HA 0.712 5.002 4.340 -0.084 0.000 0.296 279 R C -1.753 174.525 176.300 -0.036 0.000 1.012 279 R CA -0.558 55.538 56.100 -0.007 0.000 0.897 279 R CB 0.824 31.120 30.300 -0.008 0.000 1.184 279 R HN 0.631 nan 8.270 nan 0.000 0.440 280 I N 3.301 123.832 120.570 -0.066 0.000 2.569 280 I HA 0.335 4.454 4.170 -0.084 0.000 0.290 280 I C -1.111 174.888 176.117 -0.195 0.000 1.088 280 I CA -0.853 60.331 61.300 -0.193 0.000 1.047 280 I CB 2.516 40.411 38.000 -0.174 0.000 1.237 280 I HN 0.511 nan 8.210 nan 0.000 0.421 281 D N 4.905 125.127 120.400 -0.297 0.000 2.620 281 D HA 0.255 4.844 4.640 -0.084 0.000 0.252 281 D C -1.399 174.757 176.300 -0.240 0.000 1.207 281 D CA -0.219 53.730 54.000 -0.084 0.000 0.884 281 D CB 2.728 43.593 40.800 0.108 0.000 1.262 281 D HN 0.371 nan 8.370 nan 0.000 0.552 282 D N 2.866 123.165 120.400 -0.169 0.000 2.454 282 D HA 0.259 4.848 4.640 -0.084 0.000 0.247 282 D C -1.251 175.113 176.300 0.108 0.000 1.129 282 D CA -0.569 53.396 54.000 -0.059 0.000 0.877 282 D CB 0.912 41.691 40.800 -0.034 0.000 1.082 282 D HN 0.113 nan 8.370 nan 0.000 0.537 283 L N 4.352 125.724 121.223 0.248 0.000 2.287 283 L HA 0.574 4.863 4.340 -0.084 0.000 0.287 283 L C -0.994 176.008 176.870 0.220 0.000 1.022 283 L CA -0.195 54.830 54.840 0.308 0.000 0.814 283 L CB 1.085 43.341 42.059 0.328 0.000 1.217 283 L HN 0.342 nan 8.230 nan 0.000 0.420 284 M N 5.856 125.561 119.600 0.175 0.000 2.465 284 M HA 0.449 4.879 4.480 -0.084 0.000 0.316 284 M C -1.436 174.937 176.300 0.123 0.000 1.121 284 M CA -0.818 54.565 55.300 0.138 0.000 0.934 284 M CB 2.329 34.990 32.600 0.102 0.000 1.692 284 M HN 0.428 nan 8.290 nan 0.000 0.444 285 L N 3.442 124.736 121.223 0.118 0.000 2.318 285 L HA 0.505 4.795 4.340 -0.084 0.000 0.277 285 L C -0.886 176.041 176.870 0.095 0.000 1.008 285 L CA -0.054 54.849 54.840 0.105 0.000 0.846 285 L CB 0.951 43.079 42.059 0.114 0.000 1.220 285 L HN 0.622 nan 8.230 nan 0.000 0.423 286 K N 3.074 123.516 120.400 0.070 0.000 2.206 286 K HA 0.730 4.999 4.320 -0.084 0.000 0.264 286 K C -0.993 175.623 176.600 0.027 0.000 0.967 286 K CA -0.321 55.999 56.287 0.056 0.000 0.844 286 K CB 1.132 33.655 32.500 0.039 0.000 1.099 286 K HN 0.675 nan 8.250 nan 0.000 0.441 287 S N 2.760 118.487 115.700 0.045 0.000 2.536 287 S HA 0.423 4.843 4.470 -0.084 0.000 0.287 287 S C -1.534 173.094 174.600 0.047 0.000 1.101 287 S CA -0.823 57.370 58.200 -0.012 0.000 0.950 287 S CB 1.734 64.983 63.200 0.082 0.000 1.056 287 S HN 0.592 nan 8.310 nan 0.000 0.481 288 K N 1.695 122.082 120.400 -0.021 0.000 2.468 288 K HA 0.518 4.788 4.320 -0.084 0.000 0.252 288 K C -2.263 174.482 176.600 0.242 0.000 0.932 288 K CA -0.641 55.719 56.287 0.123 0.000 0.794 288 K CB 1.513 34.052 32.500 0.064 0.000 1.241 288 K HN 0.635 nan 8.250 nan 0.000 0.428 289 Y N 2.243 122.705 120.300 0.270 0.000 2.327 289 Y HA 0.563 5.062 4.550 -0.084 0.000 0.325 289 Y C -1.613 174.528 175.900 0.402 0.000 0.999 289 Y CA -0.900 57.423 58.100 0.371 0.000 1.195 289 Y CB 1.788 40.515 38.460 0.445 0.000 1.132 289 Y HN 0.616 nan 8.280 nan 0.000 0.455 290 A N 8.931 131.748 122.820 -0.005 0.000 2.802 290 A HA 0.449 4.719 4.320 -0.084 0.000 0.344 290 A C -2.258 175.212 177.584 -0.189 0.000 1.215 290 A CA -1.346 50.652 52.037 -0.064 0.000 0.821 290 A CB 0.205 19.226 19.000 0.035 0.000 1.099 290 A HN 0.577 nan 8.150 nan 0.000 0.479 291 P HA -0.012 nan 4.420 nan 0.000 0.239 291 P C -0.400 176.894 177.300 -0.010 0.000 1.184 291 P CA 1.304 64.256 63.100 -0.247 0.000 0.760 291 P CB -0.060 31.449 31.700 -0.319 0.000 0.884 292 D N -3.609 116.805 120.400 0.023 0.000 2.879 292 D HA 0.236 4.825 4.640 -0.084 0.000 0.346 292 D C 0.167 176.493 176.300 0.043 0.000 1.390 292 D CA -0.352 53.685 54.000 0.061 0.000 0.838 292 D CB -0.552 40.317 40.800 0.115 0.000 1.416 292 D HN -0.223 nan 8.370 nan 0.000 0.493 293 E N -0.816 119.400 120.200 0.027 0.000 2.419 293 E HA 0.475 4.774 4.350 -0.084 0.000 0.190 293 E C 0.845 177.417 176.600 -0.048 0.000 1.040 293 E CA 0.446 56.843 56.400 -0.005 0.000 0.900 293 E CB -0.190 29.506 29.700 -0.006 0.000 1.054 293 E HN 0.356 nan 8.360 nan 0.000 0.462 294 V N -0.235 119.647 119.914 -0.054 0.000 3.137 294 V HA 0.162 4.232 4.120 -0.084 0.000 0.236 294 V C 0.383 176.352 176.094 -0.209 0.000 1.260 294 V CA 0.029 62.214 62.300 -0.191 0.000 1.244 294 V CB 0.263 31.943 31.823 -0.238 0.000 1.016 294 V HN 0.636 nan 8.190 nan 0.000 0.477 295 H N 1.843 120.981 119.070 0.113 0.000 2.473 295 H HA 0.606 5.112 4.556 -0.084 0.000 0.327 295 H C -0.175 175.163 175.328 0.018 0.000 1.105 295 H CA 0.610 56.736 56.048 0.129 0.000 1.280 295 H CB 1.645 31.624 29.762 0.363 0.000 1.450 295 H HN 0.398 nan 8.280 nan 0.000 0.492 296 T N 1.088 115.614 114.554 -0.047 0.000 3.109 296 T HA 0.517 4.817 4.350 -0.084 0.000 0.311 296 T C -0.991 173.671 174.700 -0.063 0.000 1.011 296 T CA -0.757 61.357 62.100 0.023 0.000 1.026 296 T CB 0.343 69.199 68.868 -0.019 0.000 1.047 296 T HN 0.153 nan 8.240 nan 0.000 0.448 297 F N 3.221 123.356 119.950 0.308 0.000 2.522 297 F HA 0.710 5.186 4.527 -0.085 0.000 0.324 297 F C 0.495 176.456 175.800 0.268 0.000 1.077 297 F CA -0.798 57.418 58.000 0.361 0.000 0.944 297 F CB 2.016 41.286 39.000 0.450 0.000 1.175 297 F HN 0.837 nan 8.300 nan 0.000 0.468 298 N N 0.275 119.204 118.700 0.382 0.000 2.277 298 N HA 0.620 5.310 4.740 -0.084 0.000 0.286 298 N C -1.690 173.968 175.510 0.246 0.000 1.140 298 N CA -0.695 52.510 53.050 0.258 0.000 0.799 298 N CB 2.197 40.780 38.487 0.160 0.000 1.596 298 N HN 0.575 nan 8.380 nan 0.000 0.473 299 S N 0.301 116.122 115.700 0.202 0.000 2.564 299 S HA 0.732 5.151 4.470 -0.084 0.000 0.274 299 S C -1.326 173.363 174.600 0.148 0.000 1.124 299 S CA -0.826 57.487 58.200 0.189 0.000 0.869 299 S CB 1.802 65.124 63.200 0.203 0.000 1.105 299 S HN 0.571 nan 8.310 nan 0.000 0.472 300 L N 1.981 123.293 121.223 0.147 0.000 2.482 300 L HA 0.647 4.936 4.340 -0.084 0.000 0.269 300 L C -1.835 175.119 176.870 0.141 0.000 0.967 300 L CA -0.565 54.350 54.840 0.125 0.000 0.851 300 L CB 1.371 43.491 42.059 0.101 0.000 1.242 300 L HN 0.888 nan 8.230 nan 0.000 0.404 301 L N 4.621 125.927 121.223 0.139 0.000 2.329 301 L HA 0.684 4.974 4.340 -0.084 0.000 0.279 301 L C -0.577 176.386 176.870 0.155 0.000 1.014 301 L CA -0.441 54.492 54.840 0.154 0.000 0.814 301 L CB 1.903 44.053 42.059 0.151 0.000 1.257 301 L HN 0.670 nan 8.230 nan 0.000 0.424 302 Q N 2.525 122.428 119.800 0.172 0.000 2.315 302 Q HA 0.341 4.630 4.340 -0.084 0.000 0.273 302 Q C -2.130 174.022 176.000 0.253 0.000 1.053 302 Q CA -0.731 55.183 55.803 0.185 0.000 0.817 302 Q CB 2.823 31.640 28.738 0.132 0.000 1.326 302 Q HN 0.559 nan 8.270 nan 0.000 0.423 303 Y N 3.884 124.266 120.300 0.137 0.000 2.363 303 Y HA 0.419 4.918 4.550 -0.085 0.000 0.325 303 Y C -2.251 173.752 175.900 0.172 0.000 0.984 303 Y CA -0.779 57.405 58.100 0.140 0.000 1.248 303 Y CB 1.072 39.598 38.460 0.111 0.000 1.116 303 Y HN 0.681 nan 8.280 nan 0.000 0.470 304 Y N 5.422 125.482 120.300 -0.401 0.000 2.335 304 Y HA 0.551 5.050 4.550 -0.085 0.000 0.338 304 Y C -1.362 174.262 175.900 -0.460 0.000 0.977 304 Y CA -0.803 57.115 58.100 -0.304 0.000 1.114 304 Y CB 1.316 39.681 38.460 -0.157 0.000 1.182 304 Y HN 0.732 nan 8.280 nan 0.000 0.463 305 D N 3.526 123.575 120.400 -0.585 0.000 2.964 305 D HA 0.693 5.282 4.640 -0.084 0.000 0.234 305 D C -0.877 175.234 176.300 -0.314 0.000 1.223 305 D CA -0.224 53.574 54.000 -0.335 0.000 0.889 305 D CB 1.735 42.391 40.800 -0.241 0.000 1.609 305 D HN 0.886 nan 8.370 nan 0.000 0.523 306 G N 1.852 110.601 108.800 -0.085 0.000 2.660 306 G HA2 0.649 4.558 3.960 -0.084 0.000 0.290 306 G HA3 0.649 4.558 3.960 -0.084 0.000 0.290 306 G C -1.700 173.255 174.900 0.091 0.000 1.432 306 G CA -0.906 44.175 45.100 -0.032 0.000 0.807 306 G HN 0.541 nan 8.290 nan 0.000 0.485 307 E N -1.361 118.882 120.200 0.071 0.000 2.375 307 E HA 0.686 4.985 4.350 -0.084 0.000 0.280 307 E C -1.164 175.465 176.600 0.048 0.000 0.972 307 E CA -1.253 55.199 56.400 0.086 0.000 0.782 307 E CB 2.193 31.914 29.700 0.035 0.000 1.229 307 E HN 1.517 nan 8.360 nan 0.000 0.439 308 A N 2.209 125.051 122.820 0.037 0.000 2.555 308 A HA 0.435 4.704 4.320 -0.084 0.000 0.297 308 A C -1.559 176.011 177.584 -0.023 0.000 1.060 308 A CA -0.919 51.120 52.037 0.003 0.000 0.710 308 A CB 1.454 20.474 19.000 0.034 0.000 1.282 308 A HN 0.585 nan 8.150 nan 0.000 0.399 309 D N 1.547 121.878 120.400 -0.116 0.000 2.341 309 D HA 0.474 5.064 4.640 -0.084 0.000 0.245 309 D C -0.140 176.046 176.300 -0.190 0.000 1.106 309 D CA 0.542 54.352 54.000 -0.318 0.000 0.905 309 D CB 0.959 41.301 40.800 -0.763 0.000 1.202 309 D HN 0.514 nan 8.370 nan 0.000 0.426 310 M N 2.521 122.081 119.600 -0.067 0.000 2.072 310 M HA 0.211 4.641 4.480 -0.084 0.000 0.331 310 M C -1.814 174.637 176.300 0.252 0.000 1.004 310 M CA -1.796 53.592 55.300 0.147 0.000 0.952 310 M CB 2.301 35.051 32.600 0.250 0.000 1.511 310 M HN 0.001 nan 8.290 nan 0.000 0.422 311 P HA -0.101 nan 4.420 nan 0.000 0.215 311 P C 0.606 177.949 177.300 0.071 0.000 1.157 311 P CA 1.483 64.667 63.100 0.140 0.000 0.874 311 P CB 0.133 31.860 31.700 0.045 0.000 0.790 312 G N -1.754 107.101 108.800 0.093 0.000 2.828 312 G HA2 0.115 4.025 3.960 -0.084 0.000 0.463 312 G HA3 0.115 4.025 3.960 -0.084 0.000 0.463 312 G C 0.160 174.649 174.900 -0.685 0.000 1.394 312 G CA -0.749 44.340 45.100 -0.018 0.000 0.862 312 G HN 0.465 nan 8.290 nan 0.000 0.540 313 G N -1.309 107.109 108.800 -0.636 0.000 2.462 313 G HA2 0.738 4.648 3.960 -0.084 0.000 0.319 313 G HA3 0.738 4.648 3.960 -0.084 0.000 0.319 313 G C -0.138 174.583 174.900 -0.298 0.000 1.171 313 G CA -0.808 43.816 45.100 -0.794 0.000 0.920 313 G HN 0.930 nan 8.290 nan 0.000 0.499 314 L N 0.424 121.521 121.223 -0.210 0.000 2.333 314 L HA 0.464 4.754 4.340 -0.084 0.000 0.269 314 L C 0.872 177.708 176.870 -0.057 0.000 1.010 314 L CA -0.942 53.846 54.840 -0.087 0.000 0.818 314 L CB 2.186 44.234 42.059 -0.018 0.000 1.306 314 L HN 0.696 nan 8.230 nan 0.000 0.430 315 S N 0.344 116.025 115.700 -0.032 0.000 2.608 315 S HA 0.164 4.583 4.470 -0.084 0.000 0.261 315 S C 0.846 175.429 174.600 -0.029 0.000 1.314 315 S CA -0.481 57.702 58.200 -0.027 0.000 0.992 315 S CB 1.288 64.480 63.200 -0.013 0.000 0.935 315 S HN 0.693 nan 8.310 nan 0.000 0.564 316 R N 1.162 121.635 120.500 -0.046 0.000 2.081 316 R HA -0.035 4.255 4.340 -0.084 0.000 0.235 316 R C 2.229 178.536 176.300 0.013 0.000 1.131 316 R CA 2.114 58.185 56.100 -0.048 0.000 0.960 316 R CB -1.572 28.694 30.300 -0.057 0.000 0.856 316 R HN 0.813 nan 8.270 nan 0.000 0.436 317 A N 0.706 123.528 122.820 0.003 0.000 1.858 317 A HA -0.157 4.112 4.320 -0.084 0.000 0.216 317 A C 1.809 179.393 177.584 -0.001 0.000 1.190 317 A CA 1.918 53.957 52.037 0.002 0.000 0.617 317 A CB -0.730 18.268 19.000 -0.002 0.000 0.827 317 A HN 0.447 nan 8.150 nan 0.000 0.443 318 D N -1.915 118.484 120.400 -0.002 0.000 2.144 318 D HA -0.128 4.462 4.640 -0.084 0.000 0.200 318 D C 1.659 177.943 176.300 -0.027 0.000 0.978 318 D CA 1.366 55.356 54.000 -0.018 0.000 0.833 318 D CB -0.407 40.380 40.800 -0.022 0.000 0.961 318 D HN 0.622 nan 8.370 nan 0.000 0.470 319 Y N 1.773 121.989 120.300 -0.140 0.000 2.200 319 Y HA -0.174 4.325 4.550 -0.086 0.000 0.290 319 Y C 1.673 177.463 175.900 -0.183 0.000 1.137 319 Y CA 1.477 59.463 58.100 -0.191 0.000 1.163 319 Y CB 0.075 38.396 38.460 -0.232 0.000 0.988 319 Y HN -0.177 nan 8.280 nan 0.000 0.518 320 D N -0.065 120.328 120.400 -0.012 0.000 2.178 320 D HA -0.122 4.468 4.640 -0.084 0.000 0.202 320 D C 2.190 178.414 176.300 -0.127 0.000 0.974 320 D CA 1.251 55.208 54.000 -0.072 0.000 0.841 320 D CB -0.362 40.439 40.800 0.001 0.000 0.953 320 D HN 0.494 nan 8.370 nan 0.000 0.478 321 A N -0.126 122.631 122.820 -0.104 0.000 1.872 321 A HA -0.065 4.205 4.320 -0.084 0.000 0.214 321 A C 0.801 178.309 177.584 -0.128 0.000 1.187 321 A CA 1.145 53.129 52.037 -0.088 0.000 0.614 321 A CB 0.262 19.229 19.000 -0.055 0.000 0.826 321 A HN 0.125 nan 8.150 nan 0.000 0.442 322 D N -2.075 118.208 120.400 -0.194 0.000 2.452 322 D HA 0.137 4.727 4.640 -0.084 0.000 0.226 322 D C 0.605 176.659 176.300 -0.411 0.000 1.366 322 D CA -0.408 53.451 54.000 -0.235 0.000 0.986 322 D CB 0.676 41.431 40.800 -0.075 0.000 1.420 322 D HN 0.305 nan 8.370 nan 0.000 0.583 323 R N 2.107 122.120 120.500 -0.812 0.000 2.299 323 R HA 0.091 4.381 4.340 -0.084 0.000 0.197 323 R C 0.608 176.528 176.300 -0.634 0.000 0.971 323 R CA 0.185 55.687 56.100 -0.997 0.000 1.030 323 R CB -0.114 29.207 30.300 -1.631 0.000 0.932 323 R HN 0.373 nan 8.270 nan 0.000 0.477 324 W N 2.751 124.021 121.300 -0.050 0.000 2.576 324 W HA 0.053 4.656 4.660 -0.095 0.000 0.275 324 W C 0.994 177.512 176.519 -0.002 0.000 1.241 324 W CA -0.590 56.772 57.345 0.028 0.000 1.328 324 W CB 0.005 29.489 29.460 0.041 0.000 1.092 324 W HN 0.130 nan 8.180 nan 0.000 0.586 325 Q N 1.505 121.389 119.800 0.139 0.000 2.726 325 Q HA 0.078 4.367 4.340 -0.084 0.000 0.242 325 Q C 0.003 176.014 176.000 0.018 0.000 1.130 325 Q CA 0.427 56.269 55.803 0.065 0.000 1.031 325 Q CB 0.757 29.502 28.738 0.012 0.000 1.326 325 Q HN -0.093 nan 8.270 nan 0.000 0.572 326 S N -0.518 115.177 115.700 -0.009 0.000 2.557 326 S HA 0.360 4.780 4.470 -0.084 0.000 0.291 326 S C -0.435 174.110 174.600 -0.092 0.000 1.116 326 S CA -0.244 57.930 58.200 -0.044 0.000 0.992 326 S CB 1.553 64.751 63.200 -0.002 0.000 1.028 326 S HN 0.711 nan 8.310 nan 0.000 0.484 327 T N 1.852 116.351 114.554 -0.092 0.000 3.248 327 T HA 0.427 4.726 4.350 -0.084 0.000 0.271 327 T C 0.063 174.704 174.700 -0.099 0.000 1.005 327 T CA -0.585 61.458 62.100 -0.094 0.000 0.902 327 T CB -0.104 68.728 68.868 -0.060 0.000 1.102 327 T HN 0.417 nan 8.240 nan 0.000 0.548 328 R N 1.839 122.258 120.500 -0.134 0.000 2.738 328 R HA 0.266 4.555 4.340 -0.084 0.000 0.280 328 R C -2.258 173.872 176.300 -0.283 0.000 1.456 328 R CA -1.770 54.273 56.100 -0.094 0.000 1.612 328 R CB 0.798 31.116 30.300 0.031 0.000 1.286 328 R HN 0.251 nan 8.270 nan 0.000 0.660 329 P HA -0.155 nan 4.420 nan 0.000 0.221 329 P C 0.453 177.427 177.300 -0.542 0.000 1.145 329 P CA 1.298 63.935 63.100 -0.772 0.000 0.795 329 P CB 0.227 31.486 31.700 -0.735 0.000 0.775 330 Y N -0.142 120.141 120.300 -0.029 0.000 2.503 330 Y HA 0.136 4.678 4.550 -0.014 0.000 0.278 330 Y C 0.806 176.847 175.900 0.235 0.000 1.111 330 Y CA -0.460 57.679 58.100 0.064 0.000 1.270 330 Y CB -1.066 37.411 38.460 0.029 0.000 1.063 330 Y HN -0.113 nan 8.280 nan 0.000 0.548 331 D N 2.078 122.717 120.400 0.399 0.000 2.412 331 D HA 0.159 4.749 4.640 -0.084 0.000 0.257 331 D C 0.209 176.766 176.300 0.429 0.000 1.217 331 D CA 0.493 54.738 54.000 0.407 0.000 0.897 331 D CB 0.438 41.432 40.800 0.324 0.000 1.132 331 D HN 0.193 nan 8.370 nan 0.000 0.493 332 R N 2.038 122.777 120.500 0.399 0.000 2.707 332 R HA 0.605 4.894 4.340 -0.084 0.000 0.272 332 R C -1.904 174.567 176.300 0.287 0.000 1.011 332 R CA -0.806 55.479 56.100 0.308 0.000 0.893 332 R CB 1.430 31.964 30.300 0.389 0.000 1.233 332 R HN 0.303 nan 8.270 nan 0.000 0.464 333 F N 4.163 124.110 119.950 -0.005 0.000 2.588 333 F HA 0.734 5.207 4.527 -0.090 0.000 0.310 333 F C -1.649 174.157 175.800 0.009 0.000 1.082 333 F CA -0.302 57.631 58.000 -0.111 0.000 0.929 333 F CB 1.693 40.409 39.000 -0.473 0.000 1.254 333 F HN 0.551 nan 8.300 nan 0.000 0.455 334 W N 4.036 124.696 121.300 -1.066 0.000 3.248 334 W HA 0.775 5.383 4.660 -0.086 0.000 0.311 334 W C -1.445 174.610 176.519 -0.774 0.000 1.258 334 W CA -1.552 55.405 57.345 -0.646 0.000 1.191 334 W CB 1.118 30.358 29.460 -0.367 0.000 1.389 334 W HN 0.993 nan 8.180 nan 0.000 0.561 335 G N 1.927 110.562 108.800 -0.276 0.000 2.601 335 G HA2 0.714 4.624 3.960 -0.084 0.000 0.291 335 G HA3 0.714 4.624 3.960 -0.084 0.000 0.291 335 G C -1.960 172.930 174.900 -0.016 0.000 1.456 335 G CA -1.230 43.661 45.100 -0.348 0.000 0.804 335 G HN 0.884 nan 8.290 nan 0.000 0.499 336 R N -0.983 119.478 120.500 -0.064 0.000 2.740 336 R HA 0.884 5.173 4.340 -0.084 0.000 0.273 336 R C -1.083 175.191 176.300 -0.045 0.000 0.998 336 R CA -1.235 54.854 56.100 -0.019 0.000 0.900 336 R CB 2.303 32.590 30.300 -0.021 0.000 1.223 336 R HN 0.626 nan 8.270 nan 0.000 0.466 337 R N 1.463 121.932 120.500 -0.052 0.000 2.574 337 R HA 0.427 4.716 4.340 -0.084 0.000 0.288 337 R C -1.499 174.799 176.300 -0.003 0.000 1.004 337 R CA -0.625 55.454 56.100 -0.036 0.000 0.895 337 R CB 2.073 32.343 30.300 -0.050 0.000 1.191 337 R HN 0.722 nan 8.270 nan 0.000 0.444 338 K N 4.339 124.773 120.400 0.057 0.000 2.323 338 K HA 0.473 4.742 4.320 -0.084 0.000 0.259 338 K C -1.419 175.236 176.600 0.091 0.000 0.947 338 K CA -0.800 55.583 56.287 0.159 0.000 0.819 338 K CB 1.952 34.590 32.500 0.229 0.000 1.109 338 K HN 0.556 nan 8.250 nan 0.000 0.429 339 L N 1.805 123.108 121.223 0.134 0.000 2.410 339 L HA 0.727 5.017 4.340 -0.084 0.000 0.270 339 L C -1.661 175.321 176.870 0.185 0.000 0.983 339 L CA -0.449 54.467 54.840 0.126 0.000 0.822 339 L CB 1.781 43.888 42.059 0.080 0.000 1.285 339 L HN 0.774 nan 8.230 nan 0.000 0.409 340 A N 3.239 126.203 122.820 0.240 0.000 2.343 340 A HA 0.739 5.009 4.320 -0.084 0.000 0.308 340 A C -1.030 176.725 177.584 0.285 0.000 1.092 340 A CA -0.412 51.777 52.037 0.254 0.000 0.751 340 A CB 1.865 21.036 19.000 0.285 0.000 1.203 340 A HN 0.601 nan 8.150 nan 0.000 0.452 341 S N 1.542 117.387 115.700 0.242 0.000 2.538 341 S HA 0.756 5.176 4.470 -0.084 0.000 0.288 341 S C -1.643 173.093 174.600 0.227 0.000 1.108 341 S CA -0.435 57.921 58.200 0.259 0.000 0.971 341 S CB 1.154 64.480 63.200 0.209 0.000 1.041 341 S HN 1.260 nan 8.310 nan 0.000 0.483 342 L N 4.034 125.399 121.223 0.237 0.000 2.438 342 L HA 0.902 5.191 4.340 -0.084 0.000 0.270 342 L C -0.157 176.858 176.870 0.242 0.000 0.972 342 L CA 0.184 55.166 54.840 0.237 0.000 0.831 342 L CB 1.588 43.784 42.059 0.228 0.000 1.273 342 L HN 0.801 nan 8.230 nan 0.000 0.405 343 G N 2.677 111.629 108.800 0.255 0.000 2.533 343 G HA2 0.573 4.482 3.960 -0.084 0.000 0.304 343 G HA3 0.573 4.482 3.960 -0.084 0.000 0.304 343 G C -2.432 172.637 174.900 0.283 0.000 1.263 343 G CA -0.466 44.769 45.100 0.225 0.000 0.964 343 G HN 0.573 nan 8.290 nan 0.000 0.479 344 Y N 0.296 120.613 120.300 0.029 0.000 2.433 344 Y HA 0.637 5.137 4.550 -0.085 0.000 0.337 344 Y C -0.746 175.087 175.900 -0.112 0.000 1.026 344 Y CA -0.985 57.046 58.100 -0.114 0.000 1.037 344 Y CB 2.229 40.653 38.460 -0.060 0.000 1.245 344 Y HN 0.606 nan 8.280 nan 0.000 0.443 345 Q N 6.330 125.675 119.800 -0.759 0.000 2.330 345 Q HA 0.469 4.758 4.340 -0.084 0.000 0.269 345 Q C -2.249 173.353 176.000 -0.663 0.000 1.022 345 Q CA -0.855 54.597 55.803 -0.585 0.000 0.796 345 Q CB 1.531 30.102 28.738 -0.279 0.000 1.271 345 Q HN 0.675 nan 8.270 nan 0.000 0.450 346 F N 3.673 123.329 119.950 -0.490 0.000 2.427 346 F HA 0.350 4.826 4.527 -0.085 0.000 0.348 346 F C -1.064 174.710 175.800 -0.043 0.000 1.125 346 F CA -0.406 57.450 58.000 -0.240 0.000 0.989 346 F CB 1.632 40.686 39.000 0.090 0.000 1.165 346 F HN 0.606 nan 8.300 nan 0.000 0.442 347 Q N 9.336 128.806 119.800 -0.551 0.000 2.891 347 Q HA 0.314 4.603 4.340 -0.084 0.000 0.242 347 Q C -2.230 173.455 176.000 -0.525 0.000 0.959 347 Q CA -1.901 53.646 55.803 -0.426 0.000 0.707 347 Q CB 1.666 30.282 28.738 -0.203 0.000 1.283 347 Q HN 0.409 nan 8.270 nan 0.000 0.480 348 P HA -0.148 nan 4.420 nan 0.000 0.215 348 P C -0.304 176.879 177.300 -0.195 0.000 1.153 348 P CA 1.349 64.167 63.100 -0.471 0.000 0.853 348 P CB 0.373 31.807 31.700 -0.444 0.000 0.788 349 D N -2.415 117.927 120.400 -0.097 0.000 2.652 349 D HA 0.174 4.763 4.640 -0.084 0.000 0.285 349 D C 0.492 176.799 176.300 0.012 0.000 1.173 349 D CA -0.650 53.347 54.000 -0.005 0.000 0.981 349 D CB 0.036 40.880 40.800 0.073 0.000 1.440 349 D HN -0.212 nan 8.370 nan 0.000 0.485 350 S N -1.344 114.362 115.700 0.009 0.000 2.660 350 S HA -0.060 4.359 4.470 -0.084 0.000 0.228 350 S C 0.844 175.428 174.600 -0.027 0.000 0.966 350 S CA 0.445 58.639 58.200 -0.012 0.000 0.940 350 S CB -0.336 62.857 63.200 -0.011 0.000 0.773 350 S HN 0.426 nan 8.310 nan 0.000 0.535 351 Q N 0.027 119.817 119.800 -0.016 0.000 2.280 351 Q HA 0.321 4.610 4.340 -0.084 0.000 0.228 351 Q C -0.681 175.074 176.000 -0.408 0.000 0.857 351 Q CA 0.431 56.128 55.803 -0.178 0.000 0.939 351 Q CB 0.579 29.199 28.738 -0.196 0.000 1.114 351 Q HN 0.745 nan 8.270 nan 0.000 0.514 352 H N -0.540 118.516 119.070 -0.023 0.000 2.589 352 H HA 0.567 5.072 4.556 -0.084 0.000 0.351 352 H C -1.082 174.215 175.328 -0.052 0.000 1.074 352 H CA -0.765 55.272 56.048 -0.018 0.000 1.203 352 H CB 1.512 31.346 29.762 0.119 0.000 1.558 352 H HN -0.214 nan 8.280 nan 0.000 0.522 353 K N 3.220 123.622 120.400 0.003 0.000 2.601 353 K HA 0.319 4.589 4.320 -0.084 0.000 0.249 353 K C -1.790 174.920 176.600 0.184 0.000 0.966 353 K CA -0.749 55.558 56.287 0.033 0.000 0.827 353 K CB 1.595 34.064 32.500 -0.052 0.000 1.178 353 K HN 0.422 nan 8.250 nan 0.000 0.437 354 F N 3.715 123.790 119.950 0.209 0.000 2.469 354 F HA 0.545 5.022 4.527 -0.084 0.000 0.332 354 F C -1.215 174.670 175.800 0.142 0.000 1.103 354 F CA -0.453 57.753 58.000 0.344 0.000 0.979 354 F CB 1.253 40.530 39.000 0.463 0.000 1.137 354 F HN 0.510 nan 8.300 nan 0.000 0.463 355 N N 6.002 124.168 118.700 -0.890 0.000 2.235 355 N HA 0.593 5.283 4.740 -0.084 0.000 0.293 355 N C -1.799 173.216 175.510 -0.825 0.000 1.083 355 N CA -0.655 51.953 53.050 -0.738 0.000 0.801 355 N CB 2.626 40.943 38.487 -0.284 0.000 1.559 355 N HN 0.710 nan 8.380 nan 0.000 0.472 356 I N 0.989 121.286 120.570 -0.455 0.000 2.534 356 I HA 0.402 4.521 4.170 -0.084 0.000 0.288 356 I C -1.613 174.541 176.117 0.062 0.000 1.077 356 I CA -0.536 60.705 61.300 -0.100 0.000 1.051 356 I CB 1.571 39.661 38.000 0.150 0.000 1.234 356 I HN 0.445 nan 8.210 nan 0.000 0.425 357 Q N 4.866 124.730 119.800 0.107 0.000 2.340 357 Q HA 0.756 5.045 4.340 -0.084 0.000 0.268 357 Q C -0.920 175.206 176.000 0.211 0.000 1.031 357 Q CA -0.538 55.361 55.803 0.161 0.000 0.804 357 Q CB 2.261 31.088 28.738 0.149 0.000 1.286 357 Q HN 0.792 nan 8.270 nan 0.000 0.448 358 G N 2.332 111.270 108.800 0.230 0.000 2.482 358 G HA2 0.758 4.668 3.960 -0.084 0.000 0.317 358 G HA3 0.758 4.668 3.960 -0.084 0.000 0.317 358 G C -1.601 173.474 174.900 0.292 0.000 1.241 358 G CA -0.616 44.604 45.100 0.201 0.000 0.967 358 G HN 0.579 nan 8.290 nan 0.000 0.482 359 F N 0.132 120.178 119.950 0.160 0.000 2.678 359 F HA 0.783 5.259 4.527 -0.084 0.000 0.308 359 F C -2.341 173.608 175.800 0.248 0.000 1.118 359 F CA -2.058 56.046 58.000 0.174 0.000 0.959 359 F CB 1.780 40.850 39.000 0.116 0.000 1.305 359 F HN 0.590 nan 8.300 nan 0.000 0.443 360 Y N 1.896 122.382 120.300 0.310 0.000 2.396 360 Y HA 0.657 5.157 4.550 -0.084 0.000 0.332 360 Y C -1.254 174.848 175.900 0.337 0.000 1.034 360 Y CA -0.592 57.645 58.100 0.227 0.000 1.057 360 Y CB 2.014 40.562 38.460 0.146 0.000 1.220 360 Y HN 1.011 nan 8.280 nan 0.000 0.440 361 T N 2.786 117.152 114.554 -0.313 0.000 2.876 361 T HA 0.572 4.871 4.350 -0.084 0.000 0.289 361 T C -1.167 173.239 174.700 -0.491 0.000 1.014 361 T CA -0.870 61.059 62.100 -0.284 0.000 0.986 361 T CB 1.997 70.856 68.868 -0.016 0.000 1.021 361 T HN 0.693 nan 8.240 nan 0.000 0.458 362 Q N 1.458 121.068 119.800 -0.317 0.000 2.333 362 Q HA 0.661 4.950 4.340 -0.084 0.000 0.267 362 Q C -1.353 174.562 176.000 -0.141 0.000 1.012 362 Q CA -0.318 55.374 55.803 -0.186 0.000 0.824 362 Q CB 1.851 30.612 28.738 0.037 0.000 1.290 362 Q HN 0.860 nan 8.270 nan 0.000 0.449 363 T N 4.198 118.616 114.554 -0.227 0.000 2.916 363 T HA 0.463 4.762 4.350 -0.084 0.000 0.298 363 T C -1.717 172.821 174.700 -0.271 0.000 1.031 363 T CA -0.683 61.309 62.100 -0.180 0.000 0.993 363 T CB 1.184 69.992 68.868 -0.100 0.000 1.045 363 T HN 0.586 nan 8.240 nan 0.000 0.454 364 L N 4.529 125.588 121.223 -0.274 0.000 2.376 364 L HA 0.750 5.039 4.340 -0.084 0.000 0.275 364 L C -1.124 175.412 176.870 -0.558 0.000 0.987 364 L CA -0.755 53.845 54.840 -0.399 0.000 0.828 364 L CB 1.274 43.133 42.059 -0.333 0.000 1.249 364 L HN 0.885 nan 8.230 nan 0.000 0.409 365 R N 2.978 123.100 120.500 -0.629 0.000 2.502 365 R HA 0.752 5.042 4.340 -0.084 0.000 0.300 365 R C -1.144 174.642 176.300 -0.856 0.000 0.984 365 R CA -0.500 55.151 56.100 -0.748 0.000 0.882 365 R CB 1.784 31.850 30.300 -0.389 0.000 1.180 365 R HN 0.517 nan 8.270 nan 0.000 0.444 366 S N 1.185 116.067 115.700 -1.363 0.000 2.627 366 S HA 0.951 5.370 4.470 -0.084 0.000 0.283 366 S C -1.056 173.013 174.600 -0.885 0.000 1.127 366 S CA -0.330 57.259 58.200 -1.018 0.000 0.863 366 S CB 1.888 64.456 63.200 -1.054 0.000 1.121 366 S HN 1.004 nan 8.310 nan 0.000 0.479 367 G N 1.144 109.726 108.800 -0.363 0.000 2.667 367 G HA2 0.540 4.450 3.960 -0.084 0.000 0.294 367 G HA3 0.540 4.450 3.960 -0.084 0.000 0.294 367 G C -2.459 172.422 174.900 -0.032 0.000 1.467 367 G CA -0.523 44.504 45.100 -0.122 0.000 0.852 367 G HN 0.487 nan 8.290 nan 0.000 0.521 368 Y N -0.321 120.102 120.300 0.205 0.000 2.334 368 Y HA 0.761 5.265 4.550 -0.075 0.000 0.328 368 Y C 0.135 176.158 175.900 0.206 0.000 1.130 368 Y CA -0.977 57.239 58.100 0.193 0.000 1.163 368 Y CB 2.046 40.631 38.460 0.207 0.000 1.207 368 Y HN 0.496 nan 8.280 nan 0.000 0.471 369 L N 2.813 124.242 121.223 0.344 0.000 2.505 369 L HA 0.387 4.676 4.340 -0.084 0.000 0.266 369 L C -0.797 176.196 176.870 0.204 0.000 0.954 369 L CA -0.765 54.231 54.840 0.259 0.000 0.852 369 L CB 2.015 44.196 42.059 0.202 0.000 1.282 369 L HN 0.696 nan 8.230 nan 0.000 0.403 370 E N 3.984 124.309 120.200 0.208 0.000 2.290 370 E HA 0.289 4.588 4.350 -0.084 0.000 0.277 370 E C -1.176 175.490 176.600 0.110 0.000 1.035 370 E CA -0.097 56.396 56.400 0.155 0.000 0.873 370 E CB 0.650 30.496 29.700 0.245 0.000 1.029 370 E HN 0.630 nan 8.360 nan 0.000 0.419 371 Q N 3.802 123.645 119.800 0.071 0.000 2.490 371 Q HA 0.315 4.604 4.340 -0.084 0.000 0.255 371 Q C 0.258 176.275 176.000 0.027 0.000 0.997 371 Q CA -0.229 55.605 55.803 0.051 0.000 0.709 371 Q CB 1.829 30.596 28.738 0.048 0.000 1.255 371 Q HN 0.964 nan 8.270 nan 0.000 0.486 372 G N 2.875 111.691 108.800 0.028 0.000 2.591 372 G HA2 -0.409 3.500 3.960 -0.084 0.000 0.298 372 G HA3 -0.409 3.500 3.960 -0.084 0.000 0.298 372 G C 0.388 175.296 174.900 0.014 0.000 1.195 372 G CA 0.408 45.518 45.100 0.016 0.000 0.989 372 G HN 0.595 nan 8.290 nan 0.000 0.551 373 K N 1.265 121.666 120.400 0.001 0.000 2.476 373 K HA 0.226 4.496 4.320 -0.084 0.000 0.196 373 K C 1.071 177.669 176.600 -0.004 0.000 1.025 373 K CA 0.355 56.642 56.287 0.000 0.000 1.138 373 K CB 0.234 32.733 32.500 -0.003 0.000 0.860 373 K HN 0.353 nan 8.250 nan 0.000 0.515 374 R N 0.377 120.875 120.500 -0.005 0.000 2.837 374 R HA 0.496 4.786 4.340 -0.084 0.000 0.271 374 R C -0.768 175.530 176.300 -0.003 0.000 0.993 374 R CA -0.775 55.330 56.100 0.009 0.000 0.931 374 R CB 1.916 32.228 30.300 0.020 0.000 1.206 374 R HN -0.052 nan 8.270 nan 0.000 0.474 375 I N 1.400 121.961 120.570 -0.015 0.000 2.404 375 I HA 0.299 4.419 4.170 -0.084 0.000 0.293 375 I C 0.222 176.406 176.117 0.112 0.000 0.992 375 I CA -0.502 60.774 61.300 -0.040 0.000 1.149 375 I CB 2.118 39.962 38.000 -0.260 0.000 1.315 375 I HN 0.677 nan 8.210 nan 0.000 0.446 376 T N 4.017 118.675 114.554 0.173 0.000 2.932 376 T HA 0.727 5.026 4.350 -0.084 0.000 0.289 376 T C -0.858 174.021 174.700 0.298 0.000 1.039 376 T CA -0.802 61.441 62.100 0.238 0.000 1.024 376 T CB 2.165 71.147 68.868 0.190 0.000 1.090 376 T HN 0.324 nan 8.240 nan 0.000 0.496 377 L N 1.393 122.795 121.223 0.299 0.000 2.376 377 L HA 0.701 4.990 4.340 -0.084 0.000 0.275 377 L C -0.631 176.348 176.870 0.183 0.000 0.987 377 L CA -0.274 54.713 54.840 0.245 0.000 0.828 377 L CB 2.165 44.398 42.059 0.288 0.000 1.249 377 L HN 0.798 nan 8.230 nan 0.000 0.409 378 S N 6.238 121.975 115.700 0.061 0.000 2.252 378 S HA 0.444 4.864 4.470 -0.084 0.000 0.180 378 S C -2.575 171.958 174.600 -0.112 0.000 1.534 378 S CA -0.928 57.275 58.200 0.004 0.000 1.141 378 S CB 0.286 63.499 63.200 0.022 0.000 1.122 378 S HN 0.520 nan 8.310 nan 0.000 0.475 379 P HA 0.281 nan 4.420 nan 0.000 0.271 379 P C -0.484 176.629 177.300 -0.311 0.000 1.226 379 P CA -0.150 62.808 63.100 -0.236 0.000 0.765 379 P CB 0.480 32.109 31.700 -0.118 0.000 0.835 380 R N 2.909 123.177 120.500 -0.387 0.000 2.502 380 R HA 0.419 4.708 4.340 -0.084 0.000 0.300 380 R C -0.549 175.382 176.300 -0.615 0.000 0.984 380 R CA -0.665 55.152 56.100 -0.471 0.000 0.882 380 R CB 1.886 32.015 30.300 -0.286 0.000 1.180 380 R HN 0.420 nan 8.270 nan 0.000 0.444 381 N N 2.636 120.854 118.700 -0.804 0.000 2.362 381 N HA 0.381 5.071 4.740 -0.084 0.000 0.298 381 N C -1.274 173.373 175.510 -1.438 0.000 1.048 381 N CA -0.282 52.227 53.050 -0.900 0.000 0.858 381 N CB 1.866 39.973 38.487 -0.633 0.000 1.218 381 N HN 0.373 nan 8.380 nan 0.000 0.488 382 Y N 0.050 119.693 120.300 -1.095 0.000 2.512 382 Y HA 0.508 5.006 4.550 -0.086 0.000 0.348 382 Y C -0.494 174.818 175.900 -0.981 0.000 0.990 382 Y CA -0.884 56.718 58.100 -0.830 0.000 1.033 382 Y CB 2.168 40.448 38.460 -0.301 0.000 1.259 382 Y HN 0.311 nan 8.280 nan 0.000 0.461 383 W N 2.517 123.948 121.300 0.218 0.000 2.781 383 W HA 0.688 5.298 4.660 -0.083 0.000 0.333 383 W C -1.698 174.934 176.519 0.188 0.000 1.047 383 W CA -0.953 56.491 57.345 0.164 0.000 1.236 383 W CB 1.980 31.578 29.460 0.231 0.000 1.394 383 W HN 0.185 nan 8.180 nan 0.000 0.466 384 V N 4.324 124.401 119.914 0.272 0.000 2.638 384 V HA 0.574 4.643 4.120 -0.084 0.000 0.306 384 V C -0.237 176.007 176.094 0.250 0.000 1.052 384 V CA -1.017 61.445 62.300 0.270 0.000 0.885 384 V CB 2.285 34.288 31.823 0.300 0.000 0.999 384 V HN 0.562 nan 8.190 nan 0.000 0.424 385 R N 2.763 123.319 120.500 0.094 0.000 2.686 385 R HA 0.931 5.220 4.340 -0.084 0.000 0.283 385 R C -0.389 175.575 176.300 -0.561 0.000 0.978 385 R CA -0.883 55.142 56.100 -0.124 0.000 0.897 385 R CB 2.540 32.914 30.300 0.123 0.000 1.192 385 R HN 0.862 nan 8.270 nan 0.000 0.457 386 G N 1.720 109.882 108.800 -1.064 0.000 2.704 386 G HA2 0.578 4.487 3.960 -0.084 0.000 0.293 386 G HA3 0.578 4.487 3.960 -0.084 0.000 0.293 386 G C -1.844 172.808 174.900 -0.414 0.000 1.421 386 G CA -0.562 44.046 45.100 -0.820 0.000 0.870 386 G HN 0.427 nan 8.290 nan 0.000 0.492 387 I N 0.348 120.868 120.570 -0.083 0.000 2.607 387 I HA 0.592 4.711 4.170 -0.084 0.000 0.290 387 I C -1.451 174.727 176.117 0.102 0.000 1.129 387 I CA -0.879 60.467 61.300 0.077 0.000 1.042 387 I CB 2.058 40.154 38.000 0.160 0.000 1.242 387 I HN 0.706 nan 8.210 nan 0.000 0.421 388 E N 9.457 129.745 120.200 0.146 0.000 2.373 388 E HA 0.500 4.799 4.350 -0.084 0.000 0.251 388 E C -2.736 173.959 176.600 0.158 0.000 0.923 388 E CA -1.797 54.682 56.400 0.131 0.000 0.798 388 E CB 1.843 31.620 29.700 0.128 0.000 1.303 388 E HN 0.269 nan 8.360 nan 0.000 0.412 389 P HA 0.317 nan 4.420 nan 0.000 0.290 389 P C -1.015 176.402 177.300 0.195 0.000 1.276 389 P CA -0.542 62.702 63.100 0.241 0.000 0.808 389 P CB 1.320 33.272 31.700 0.421 0.000 0.966 390 R N 1.848 122.399 120.500 0.085 0.000 2.725 390 R HA 0.611 4.901 4.340 -0.084 0.000 0.277 390 R C -1.400 175.056 176.300 0.260 0.000 0.987 390 R CA -0.751 55.422 56.100 0.121 0.000 0.901 390 R CB 2.142 32.488 30.300 0.077 0.000 1.207 390 R HN 0.471 nan 8.270 nan 0.000 0.463 391 Y N -0.051 120.340 120.300 0.152 0.000 2.479 391 Y HA 0.493 4.992 4.550 -0.084 0.000 0.338 391 Y C -1.479 174.525 175.900 0.172 0.000 1.055 391 Y CA -0.444 57.797 58.100 0.234 0.000 1.023 391 Y CB 2.468 41.116 38.460 0.314 0.000 1.287 391 Y HN 0.579 nan 8.280 nan 0.000 0.447 392 S N 4.713 120.057 115.700 -0.593 0.000 2.546 392 S HA 0.682 5.101 4.470 -0.084 0.000 0.274 392 S C -1.762 172.466 174.600 -0.619 0.000 1.121 392 S CA -0.898 57.039 58.200 -0.438 0.000 0.887 392 S CB 2.145 65.249 63.200 -0.160 0.000 1.094 392 S HN 0.656 nan 8.310 nan 0.000 0.474 393 Q N 1.321 120.915 119.800 -0.343 0.000 2.386 393 Q HA 0.654 4.944 4.340 -0.084 0.000 0.274 393 Q C -1.518 174.417 176.000 -0.108 0.000 1.011 393 Q CA -0.959 54.687 55.803 -0.262 0.000 0.867 393 Q CB 0.869 29.473 28.738 -0.222 0.000 1.409 393 Q HN 0.721 nan 8.270 nan 0.000 0.395 394 I N 0.133 120.613 120.570 -0.149 0.000 2.498 394 I HA 0.909 5.028 4.170 -0.084 0.000 0.301 394 I C -0.753 175.353 176.117 -0.019 0.000 0.984 394 I CA -0.958 60.245 61.300 -0.161 0.000 1.204 394 I CB 0.900 38.819 38.000 -0.135 0.000 1.362 394 I HN 0.744 nan 8.210 nan 0.000 0.471 395 F N 2.001 121.948 119.950 -0.004 0.000 2.817 395 F HA 0.705 5.182 4.527 -0.084 0.000 0.317 395 F C -1.550 174.278 175.800 0.047 0.000 1.168 395 F CA -1.402 56.601 58.000 0.004 0.000 0.911 395 F CB 1.312 40.309 39.000 -0.005 0.000 1.337 395 F HN 0.306 nan 8.300 nan 0.000 0.464 396 M N 2.259 122.064 119.600 0.342 0.000 2.436 396 M HA 0.575 5.004 4.480 -0.084 0.000 0.331 396 M C -1.289 175.167 176.300 0.260 0.000 1.135 396 M CA -0.515 54.921 55.300 0.227 0.000 0.987 396 M CB 2.269 34.949 32.600 0.133 0.000 1.687 396 M HN 0.629 nan 8.290 nan 0.000 0.445 397 I N 2.429 123.114 120.570 0.190 0.000 2.583 397 I HA 0.397 4.516 4.170 -0.084 0.000 0.276 397 I C 0.595 176.776 176.117 0.107 0.000 1.089 397 I CA -0.120 61.242 61.300 0.104 0.000 1.103 397 I CB 1.203 39.172 38.000 -0.052 0.000 1.209 397 I HN 1.029 nan 8.210 nan 0.000 0.484 398 G N 7.676 116.523 108.800 0.079 0.000 2.531 398 G HA2 -0.236 3.673 3.960 -0.084 0.000 0.274 398 G HA3 -0.236 3.673 3.960 -0.084 0.000 0.274 398 G C -1.579 173.363 174.900 0.071 0.000 1.159 398 G CA 0.223 45.362 45.100 0.066 0.000 0.969 398 G HN 0.460 nan 8.290 nan 0.000 0.554 399 P HA 0.172 nan 4.420 nan 0.000 0.235 399 P C 0.954 178.293 177.300 0.065 0.000 1.177 399 P CA 1.515 64.649 63.100 0.057 0.000 0.785 399 P CB -0.019 31.710 31.700 0.049 0.000 0.885 400 S N 0.062 115.818 115.700 0.093 0.000 2.562 400 S HA 0.618 5.038 4.470 -0.084 0.000 0.275 400 S C 0.150 174.828 174.600 0.131 0.000 1.281 400 S CA -0.714 57.542 58.200 0.092 0.000 1.045 400 S CB 1.336 64.598 63.200 0.104 0.000 0.962 400 S HN 0.244 nan 8.310 nan 0.000 0.503 401 A N 2.833 125.670 122.820 0.029 0.000 2.306 401 A HA 0.582 4.851 4.320 -0.084 0.000 0.314 401 A C -0.238 177.265 177.584 -0.136 0.000 1.164 401 A CA -0.693 51.337 52.037 -0.012 0.000 0.822 401 A CB 0.383 19.352 19.000 -0.051 0.000 1.130 401 A HN 0.981 nan 8.150 nan 0.000 0.496 402 H N 1.064 119.890 119.070 -0.407 0.000 2.609 402 H HA 0.344 4.849 4.556 -0.084 0.000 0.344 402 H C -1.149 173.758 175.328 -0.701 0.000 1.040 402 H CA -0.336 55.356 56.048 -0.593 0.000 1.216 402 H CB 1.942 31.154 29.762 -0.915 0.000 1.529 402 H HN 0.837 nan 8.280 nan 0.000 0.519 403 E N 3.903 123.927 120.200 -0.292 0.000 2.186 403 E HA 0.301 4.600 4.350 -0.084 0.000 0.255 403 E C -1.203 175.354 176.600 -0.072 0.000 0.881 403 E CA -0.672 55.613 56.400 -0.192 0.000 0.752 403 E CB 1.163 30.802 29.700 -0.102 0.000 1.176 403 E HN 0.251 nan 8.360 nan 0.000 0.421 404 V N 3.351 123.261 119.914 -0.007 0.000 2.465 404 V HA 0.628 4.697 4.120 -0.084 0.000 0.279 404 V C 0.597 176.752 176.094 0.101 0.000 1.045 404 V CA -0.315 62.056 62.300 0.117 0.000 0.938 404 V CB 1.566 33.544 31.823 0.258 0.000 0.986 404 V HN 0.729 nan 8.190 nan 0.000 0.467 405 G N 3.250 112.142 108.800 0.154 0.000 2.590 405 G HA2 0.659 4.569 3.960 -0.084 0.000 0.310 405 G HA3 0.659 4.569 3.960 -0.084 0.000 0.310 405 G C -1.457 173.573 174.900 0.216 0.000 1.347 405 G CA -0.418 44.794 45.100 0.187 0.000 0.963 405 G HN 0.555 nan 8.290 nan 0.000 0.494 406 V N 0.631 120.609 119.914 0.108 0.000 2.876 406 V HA 0.974 5.043 4.120 -0.084 0.000 0.312 406 V C 0.442 176.290 176.094 -0.411 0.000 1.085 406 V CA -0.173 62.071 62.300 -0.093 0.000 0.945 406 V CB 2.078 33.954 31.823 0.089 0.000 1.017 406 V HN 1.199 nan 8.190 nan 0.000 0.428 407 G N 1.740 109.989 108.800 -0.919 0.000 2.704 407 G HA2 0.664 4.573 3.960 -0.084 0.000 0.293 407 G HA3 0.664 4.573 3.960 -0.084 0.000 0.293 407 G C -2.441 172.373 174.900 -0.145 0.000 1.421 407 G CA -0.554 44.107 45.100 -0.732 0.000 0.870 407 G HN 0.770 nan 8.290 nan 0.000 0.492 408 Y N 0.632 120.933 120.300 0.002 0.000 2.513 408 Y HA 0.797 5.297 4.550 -0.084 0.000 0.340 408 Y C -0.823 175.152 175.900 0.124 0.000 1.055 408 Y CA -1.251 56.933 58.100 0.140 0.000 1.020 408 Y CB 2.099 40.740 38.460 0.302 0.000 1.301 408 Y HN 0.705 nan 8.280 nan 0.000 0.453 409 R N 5.187 125.191 120.500 -0.826 0.000 2.533 409 R HA 0.374 4.663 4.340 -0.084 0.000 0.288 409 R C -2.448 173.355 176.300 -0.828 0.000 1.039 409 R CA -0.791 54.933 56.100 -0.626 0.000 0.909 409 R CB 1.384 31.576 30.300 -0.180 0.000 1.195 409 R HN 0.763 nan 8.270 nan 0.000 0.438 410 Y N 5.620 125.523 120.300 -0.661 0.000 2.331 410 Y HA 0.525 5.024 4.550 -0.084 0.000 0.338 410 Y C -1.676 174.061 175.900 -0.271 0.000 0.976 410 Y CA -0.830 57.019 58.100 -0.419 0.000 1.137 410 Y CB 1.027 39.439 38.460 -0.080 0.000 1.172 410 Y HN 0.605 nan 8.280 nan 0.000 0.478 411 L N 7.501 128.157 121.223 -0.945 0.000 2.386 411 L HA 0.560 4.850 4.340 -0.084 0.000 0.271 411 L C -1.620 174.738 176.870 -0.854 0.000 0.993 411 L CA -0.525 53.899 54.840 -0.693 0.000 0.819 411 L CB 1.526 43.457 42.059 -0.213 0.000 1.294 411 L HN 0.791 nan 8.230 nan 0.000 0.414 412 N N 3.731 122.089 118.700 -0.569 0.000 2.295 412 N HA 0.381 5.070 4.740 -0.084 0.000 0.293 412 N C -1.870 173.636 175.510 -0.006 0.000 1.040 412 N CA -0.358 52.513 53.050 -0.298 0.000 0.840 412 N CB 2.303 40.671 38.487 -0.199 0.000 1.468 412 N HN 0.796 nan 8.380 nan 0.000 0.478 413 E N 1.191 121.449 120.200 0.097 0.000 2.293 413 E HA 0.587 4.886 4.350 -0.084 0.000 0.270 413 E C -1.333 175.439 176.600 0.286 0.000 0.879 413 E CA -0.885 55.660 56.400 0.242 0.000 0.756 413 E CB 1.708 31.576 29.700 0.280 0.000 1.208 413 E HN 0.239 nan 8.360 nan 0.000 0.428 414 S N 0.875 116.815 115.700 0.401 0.000 2.538 414 S HA 0.664 5.084 4.470 -0.084 0.000 0.288 414 S C -0.867 174.000 174.600 0.446 0.000 1.108 414 S CA -0.627 57.835 58.200 0.438 0.000 0.971 414 S CB 1.851 65.372 63.200 0.535 0.000 1.041 414 S HN 0.695 nan 8.310 nan 0.000 0.483 415 T N -0.365 114.296 114.554 0.178 0.000 2.896 415 T HA 0.617 4.916 4.350 -0.084 0.000 0.297 415 T C -1.393 173.296 174.700 -0.019 0.000 1.108 415 T CA -0.664 61.332 62.100 -0.173 0.000 1.004 415 T CB 1.753 70.405 68.868 -0.360 0.000 1.159 415 T HN 0.720 nan 8.240 nan 0.000 0.499 416 H N 0.805 119.663 119.070 -0.354 0.000 3.096 416 H HA 0.487 4.993 4.556 -0.083 0.000 0.335 416 H C -1.563 173.584 175.328 -0.302 0.000 0.990 416 H CA -0.618 55.322 56.048 -0.180 0.000 1.393 416 H CB 1.446 31.223 29.762 0.025 0.000 1.742 416 H HN 0.697 nan 8.280 nan 0.000 0.501 417 E N 5.011 125.053 120.200 -0.263 0.000 2.222 417 E HA 0.438 4.738 4.350 -0.084 0.000 0.267 417 E C -0.864 175.532 176.600 -0.340 0.000 0.884 417 E CA -0.548 55.657 56.400 -0.325 0.000 0.764 417 E CB 2.857 32.454 29.700 -0.173 0.000 1.169 417 E HN 0.445 nan 8.360 nan 0.000 0.413 418 M N 1.618 121.003 119.600 -0.357 0.000 2.531 418 M HA 0.515 4.944 4.480 -0.084 0.000 0.286 418 M C -0.930 175.225 176.300 -0.241 0.000 1.232 418 M CA -0.754 54.319 55.300 -0.379 0.000 0.877 418 M CB 3.010 35.258 32.600 -0.588 0.000 1.726 418 M HN 0.280 nan 8.290 nan 0.000 0.463 419 R N 1.656 122.021 120.500 -0.225 0.000 2.473 419 R HA 0.533 4.823 4.340 -0.084 0.000 0.303 419 R C -2.112 174.178 176.300 -0.017 0.000 1.002 419 R CA -0.322 55.758 56.100 -0.033 0.000 0.884 419 R CB 1.309 31.638 30.300 0.048 0.000 1.173 419 R HN 0.622 nan 8.270 nan 0.000 0.464 420 Y N 3.493 123.889 120.300 0.161 0.000 2.376 420 Y HA 0.388 4.888 4.550 -0.085 0.000 0.325 420 Y C -0.138 175.888 175.900 0.210 0.000 1.199 420 Y CA -0.161 58.041 58.100 0.168 0.000 1.206 420 Y CB 1.274 39.791 38.460 0.095 0.000 1.229 420 Y HN 0.498 nan 8.280 nan 0.000 0.480 421 Y N -1.623 118.820 120.300 0.238 0.000 2.625 421 Y HA 0.846 5.344 4.550 -0.087 0.000 0.338 421 Y C -1.014 174.943 175.900 0.095 0.000 1.123 421 Y CA -1.368 56.813 58.100 0.135 0.000 1.046 421 Y CB 1.519 40.028 38.460 0.081 0.000 1.299 421 Y HN 0.585 nan 8.280 nan 0.000 0.464 422 T N -0.748 113.940 114.554 0.223 0.000 2.853 422 T HA 0.810 5.109 4.350 -0.084 0.000 0.311 422 T C -0.801 173.978 174.700 0.133 0.000 1.307 422 T CA -0.507 61.657 62.100 0.107 0.000 1.019 422 T CB 1.201 70.072 68.868 0.004 0.000 1.264 422 T HN 1.421 nan 8.240 nan 0.000 0.497 423 A N 1.424 124.299 122.820 0.092 0.000 2.450 423 A HA 0.509 4.779 4.320 -0.084 0.000 0.255 423 A C 1.466 179.036 177.584 -0.024 0.000 1.096 423 A CA -0.058 52.008 52.037 0.049 0.000 0.778 423 A CB -0.430 18.596 19.000 0.044 0.000 1.031 423 A HN 0.957 nan 8.150 nan 0.000 0.494 424 T N 1.846 116.370 114.554 -0.051 0.000 2.759 424 T HA -0.189 4.111 4.350 -0.084 0.000 0.269 424 T C 2.268 176.935 174.700 -0.055 0.000 1.042 424 T CA 2.150 64.178 62.100 -0.120 0.000 1.140 424 T CB -0.325 68.498 68.868 -0.076 0.000 0.864 424 T HN 1.056 nan 8.240 nan 0.000 0.455 425 S N 2.005 117.698 115.700 -0.012 0.000 2.419 425 S HA -0.086 4.334 4.470 -0.084 0.000 0.235 425 S C 1.405 176.008 174.600 0.004 0.000 1.019 425 S CA 0.697 58.901 58.200 0.007 0.000 0.982 425 S CB -0.722 62.486 63.200 0.012 0.000 0.789 425 S HN 0.641 nan 8.310 nan 0.000 0.490 426 S N 0.722 116.417 115.700 -0.009 0.000 2.606 426 S HA 0.526 4.945 4.470 -0.084 0.000 0.257 426 S C 0.832 175.425 174.600 -0.012 0.000 1.327 426 S CA -0.214 57.981 58.200 -0.009 0.000 0.984 426 S CB 0.644 63.836 63.200 -0.013 0.000 0.941 426 S HN 0.526 nan 8.310 nan 0.000 0.576 427 G N -0.491 108.305 108.800 -0.005 0.000 3.959 427 G HA2 0.549 4.459 3.960 -0.084 0.000 0.298 427 G HA3 0.549 4.459 3.960 -0.084 0.000 0.298 427 G C -0.035 174.861 174.900 -0.007 0.000 1.211 427 G CA 0.290 45.395 45.100 0.007 0.000 1.001 427 G HN 1.200 nan 8.290 nan 0.000 0.561 428 Q N 0.039 119.817 119.800 -0.037 0.000 2.418 428 Q HA 0.726 5.016 4.340 -0.084 0.000 0.282 428 Q C -1.050 174.889 176.000 -0.103 0.000 1.044 428 Q CA -0.794 54.978 55.803 -0.053 0.000 0.813 428 Q CB 1.310 30.025 28.738 -0.038 0.000 1.428 428 Q HN 0.246 nan 8.270 nan 0.000 0.402 429 L N 1.949 123.095 121.223 -0.129 0.000 2.395 429 L HA 0.539 4.828 4.340 -0.084 0.000 0.269 429 L C -1.984 174.844 176.870 -0.069 0.000 1.133 429 L CA -1.735 52.978 54.840 -0.211 0.000 0.812 429 L CB 1.525 43.312 42.059 -0.453 0.000 1.125 429 L HN 0.578 nan 8.230 nan 0.000 0.452 430 P HA 0.140 nan 4.420 nan 0.000 0.272 430 P C -0.918 176.452 177.300 0.116 0.000 1.230 430 P CA -0.272 62.891 63.100 0.104 0.000 0.788 430 P CB 1.035 32.861 31.700 0.210 0.000 0.949 431 S N -0.952 114.743 115.700 -0.008 0.000 2.776 431 S HA 0.568 4.987 4.470 -0.084 0.000 0.292 431 S C 1.239 175.590 174.600 -0.415 0.000 1.187 431 S CA -0.169 57.959 58.200 -0.119 0.000 0.834 431 S CB 0.856 64.016 63.200 -0.068 0.000 1.199 431 S HN 0.419 nan 8.310 nan 0.000 0.514 432 G N 0.601 109.139 108.800 -0.437 0.000 2.509 432 G HA2 -0.011 3.898 3.960 -0.084 0.000 0.218 432 G HA3 -0.011 3.898 3.960 -0.084 0.000 0.218 432 G C 1.150 175.909 174.900 -0.234 0.000 1.124 432 G CA 0.963 45.708 45.100 -0.591 0.000 0.776 432 G HN 1.234 nan 8.290 nan 0.000 0.547 433 S N -0.644 114.991 115.700 -0.108 0.000 2.540 433 S HA 0.338 4.757 4.470 -0.084 0.000 0.218 433 S C 0.920 175.546 174.600 0.043 0.000 0.977 433 S CA -0.189 58.017 58.200 0.011 0.000 0.918 433 S CB 0.361 63.557 63.200 -0.006 0.000 0.806 433 S HN 0.080 nan 8.310 nan 0.000 0.496 434 S N 3.581 119.309 115.700 0.047 0.000 2.632 434 S HA 0.503 4.922 4.470 -0.084 0.000 0.267 434 S C -2.518 172.135 174.600 0.088 0.000 1.276 434 S CA -0.917 57.301 58.200 0.029 0.000 0.998 434 S CB 0.428 63.633 63.200 0.008 0.000 0.953 434 S HN 0.269 nan 8.310 nan 0.000 0.547 435 P HA 0.267 nan 4.420 nan 0.000 0.272 435 P C -1.258 175.870 177.300 -0.286 0.000 1.240 435 P CA -0.185 62.720 63.100 -0.325 0.000 0.791 435 P CB 0.139 31.519 31.700 -0.534 0.000 0.978 436 Y N -1.534 118.679 120.300 -0.146 0.000 2.457 436 Y HA 0.561 5.060 4.550 -0.086 0.000 0.343 436 Y C -0.226 175.738 175.900 0.106 0.000 0.994 436 Y CA -1.290 56.735 58.100 -0.125 0.000 1.031 436 Y CB 0.991 39.082 38.460 -0.616 0.000 1.246 436 Y HN 0.247 nan 8.280 nan 0.000 0.449 437 D N 1.539 122.163 120.400 0.373 0.000 2.501 437 D HA 0.202 4.792 4.640 -0.084 0.000 0.226 437 D C -0.153 176.231 176.300 0.140 0.000 1.198 437 D CA -0.235 53.889 54.000 0.207 0.000 0.830 437 D CB 0.401 41.246 40.800 0.076 0.000 1.014 437 D HN 0.666 nan 8.370 nan 0.000 0.496 438 R N 0.242 120.841 120.500 0.165 0.000 2.515 438 R HA 0.398 4.687 4.340 -0.084 0.000 0.278 438 R C -2.288 174.015 176.300 0.005 0.000 1.107 438 R CA -0.451 55.691 56.100 0.070 0.000 0.945 438 R CB 1.318 31.627 30.300 0.015 0.000 1.219 438 R HN -0.118 nan 8.270 nan 0.000 0.434 439 D N 3.087 123.505 120.400 0.031 0.000 2.319 439 D HA 0.188 4.777 4.640 -0.084 0.000 0.237 439 D C -1.528 174.811 176.300 0.066 0.000 1.353 439 D CA 0.058 54.057 54.000 -0.002 0.000 0.992 439 D CB 1.527 42.359 40.800 0.054 0.000 1.368 439 D HN 0.592 nan 8.370 nan 0.000 0.564 440 T N 0.279 114.867 114.554 0.057 0.000 2.907 440 T HA 0.788 5.088 4.350 -0.084 0.000 0.292 440 T C -0.110 174.651 174.700 0.101 0.000 1.043 440 T CA -0.950 61.187 62.100 0.061 0.000 1.003 440 T CB 2.040 70.913 68.868 0.009 0.000 1.084 440 T HN 0.208 nan 8.240 nan 0.000 0.483 441 R N 1.206 121.745 120.500 0.064 0.000 2.575 441 R HA 0.748 5.037 4.340 -0.084 0.000 0.293 441 R C -0.939 175.311 176.300 -0.084 0.000 0.983 441 R CA -0.771 55.358 56.100 0.049 0.000 0.887 441 R CB 2.493 32.849 30.300 0.094 0.000 1.184 441 R HN 0.712 nan 8.270 nan 0.000 0.445 442 S N -0.119 115.363 115.700 -0.365 0.000 2.671 442 S HA 0.923 5.342 4.470 -0.084 0.000 0.299 442 S C -0.662 173.306 174.600 -1.054 0.000 1.116 442 S CA -0.775 56.824 58.200 -1.002 0.000 0.912 442 S CB 2.381 64.665 63.200 -1.527 0.000 1.130 442 S HN 0.786 nan 8.310 nan 0.000 0.501 443 G N 0.011 107.924 108.800 -1.479 0.000 2.547 443 G HA2 0.583 4.492 3.960 -0.084 0.000 0.291 443 G HA3 0.583 4.492 3.960 -0.084 0.000 0.291 443 G C -1.716 173.100 174.900 -0.139 0.000 1.471 443 G CA -0.410 44.376 45.100 -0.522 0.000 0.798 443 G HN 0.643 nan 8.290 nan 0.000 0.504 444 T N -0.038 114.604 114.554 0.147 0.000 2.923 444 T HA 0.591 4.890 4.350 -0.084 0.000 0.311 444 T C -1.317 173.383 174.700 -0.000 0.000 1.183 444 T CA -0.594 61.571 62.100 0.110 0.000 1.020 444 T CB 2.341 71.260 68.868 0.084 0.000 1.165 444 T HN 0.639 nan 8.240 nan 0.000 0.482 445 E N 1.215 121.374 120.200 -0.068 0.000 2.216 445 E HA 0.668 4.967 4.350 -0.084 0.000 0.260 445 E C -1.392 174.997 176.600 -0.351 0.000 0.880 445 E CA -0.777 55.540 56.400 -0.138 0.000 0.765 445 E CB 1.033 30.804 29.700 0.119 0.000 1.174 445 E HN 0.758 nan 8.360 nan 0.000 0.417 446 A N 4.968 127.399 122.820 -0.648 0.000 2.343 446 A HA 0.535 4.805 4.320 -0.084 0.000 0.316 446 A C -1.319 175.848 177.584 -0.694 0.000 1.104 446 A CA -0.687 50.905 52.037 -0.742 0.000 0.768 446 A CB 0.962 19.142 19.000 -1.366 0.000 1.213 446 A HN 0.710 nan 8.150 nan 0.000 0.456 447 H N 1.085 120.021 119.070 -0.223 0.000 2.539 447 H HA 0.666 5.171 4.556 -0.084 0.000 0.332 447 H C -0.382 174.568 175.328 -0.630 0.000 1.031 447 H CA -0.051 55.841 56.048 -0.260 0.000 1.206 447 H CB 1.943 31.712 29.762 0.010 0.000 1.446 447 H HN 0.870 nan 8.280 nan 0.000 0.496 448 A N 4.292 126.732 122.820 -0.633 0.000 2.393 448 A HA 0.592 4.861 4.320 -0.084 0.000 0.306 448 A C -1.359 175.949 177.584 -0.460 0.000 1.050 448 A CA -0.769 50.958 52.037 -0.518 0.000 0.724 448 A CB 1.796 20.720 19.000 -0.127 0.000 1.248 448 A HN 0.580 nan 8.150 nan 0.000 0.424 449 W N 1.232 122.747 121.300 0.359 0.000 2.864 449 W HA 0.607 5.217 4.660 -0.084 0.000 0.343 449 W C -1.071 175.622 176.519 0.290 0.000 1.109 449 W CA -0.580 56.946 57.345 0.302 0.000 1.192 449 W CB 1.630 31.260 29.460 0.282 0.000 1.426 449 W HN 0.835 nan 8.180 nan 0.000 0.529 450 Y N 0.647 121.177 120.300 0.383 0.000 2.534 450 Y HA 0.804 5.303 4.550 -0.084 0.000 0.345 450 Y C -2.090 173.938 175.900 0.214 0.000 1.031 450 Y CA -1.861 56.387 58.100 0.247 0.000 1.022 450 Y CB 1.319 39.854 38.460 0.124 0.000 1.292 450 Y HN 0.238 nan 8.280 nan 0.000 0.459 451 L N 4.147 125.620 121.223 0.416 0.000 2.470 451 L HA 0.772 5.061 4.340 -0.084 0.000 0.268 451 L C -2.114 174.931 176.870 0.292 0.000 0.964 451 L CA -0.455 54.563 54.840 0.297 0.000 0.839 451 L CB 1.972 44.145 42.059 0.191 0.000 1.276 451 L HN 0.980 nan 8.230 nan 0.000 0.403 452 D N 1.155 121.721 120.400 0.277 0.000 2.753 452 D HA 0.555 5.145 4.640 -0.084 0.000 0.224 452 D C -1.651 174.746 176.300 0.163 0.000 1.213 452 D CA -0.412 53.709 54.000 0.201 0.000 0.833 452 D CB 1.791 42.710 40.800 0.198 0.000 1.607 452 D HN 0.391 nan 8.370 nan 0.000 0.463 453 D N 0.009 120.477 120.400 0.114 0.000 2.542 453 D HA 0.210 4.799 4.640 -0.084 0.000 0.252 453 D C -1.221 175.081 176.300 0.002 0.000 1.222 453 D CA -0.629 53.419 54.000 0.080 0.000 0.895 453 D CB 1.243 42.119 40.800 0.127 0.000 1.207 453 D HN 0.363 nan 8.370 nan 0.000 0.558 454 K N 5.101 125.483 120.400 -0.030 0.000 2.273 454 K HA 0.314 4.584 4.320 -0.084 0.000 0.287 454 K C -0.645 175.847 176.600 -0.181 0.000 1.089 454 K CA -0.398 55.847 56.287 -0.070 0.000 0.909 454 K CB 0.286 32.769 32.500 -0.028 0.000 1.123 454 K HN 0.514 nan 8.250 nan 0.000 0.473 455 I N 4.485 124.924 120.570 -0.218 0.000 2.328 455 I HA 0.126 4.246 4.170 -0.084 0.000 0.287 455 I C -0.428 175.587 176.117 -0.171 0.000 1.012 455 I CA -0.701 60.376 61.300 -0.371 0.000 1.195 455 I CB 1.288 39.008 38.000 -0.467 0.000 1.350 455 I HN 0.422 nan 8.210 nan 0.000 0.464 456 D N 7.874 128.187 120.400 -0.145 0.000 2.396 456 D HA 0.324 4.913 4.640 -0.084 0.000 0.225 456 D C -0.509 175.785 176.300 -0.010 0.000 1.121 456 D CA 0.032 54.009 54.000 -0.039 0.000 0.853 456 D CB 2.413 43.185 40.800 -0.047 0.000 1.043 456 D HN 0.221 nan 8.370 nan 0.000 0.500 457 I N 2.105 122.715 120.570 0.066 0.000 2.468 457 I HA 0.331 4.450 4.170 -0.084 0.000 0.284 457 I C 0.823 177.056 176.117 0.192 0.000 1.038 457 I CA 0.234 61.589 61.300 0.092 0.000 1.083 457 I CB 0.671 38.705 38.000 0.057 0.000 1.223 457 I HN 0.627 nan 8.210 nan 0.000 0.443 458 G N 8.417 117.291 108.800 0.122 0.000 2.583 458 G HA2 -0.336 3.573 3.960 -0.084 0.000 0.292 458 G HA3 -0.336 3.573 3.960 -0.084 0.000 0.292 458 G C 0.547 175.471 174.900 0.039 0.000 1.203 458 G CA 0.420 45.598 45.100 0.131 0.000 0.987 458 G HN 0.627 nan 8.290 nan 0.000 0.554 459 N N 0.908 119.612 118.700 0.006 0.000 2.314 459 N HA 0.153 4.843 4.740 -0.084 0.000 0.200 459 N C -0.126 175.248 175.510 -0.227 0.000 1.135 459 N CA 0.516 53.377 53.050 -0.315 0.000 0.835 459 N CB 0.059 38.129 38.487 -0.694 0.000 0.989 459 N HN 0.433 nan 8.380 nan 0.000 0.478 460 W N 0.286 121.632 121.300 0.076 0.000 2.509 460 W HA 0.438 5.048 4.660 -0.084 0.000 0.351 460 W C 0.113 176.686 176.519 0.091 0.000 1.107 460 W CA -0.404 57.034 57.345 0.155 0.000 1.264 460 W CB 1.045 30.594 29.460 0.148 0.000 1.312 460 W HN -0.337 nan 8.180 nan 0.000 0.608 461 T N 2.923 117.685 114.554 0.347 0.000 3.313 461 T HA 0.346 4.645 4.350 -0.084 0.000 0.333 461 T C -1.101 173.672 174.700 0.122 0.000 0.904 461 T CA -0.492 61.708 62.100 0.167 0.000 1.079 461 T CB -0.049 68.897 68.868 0.129 0.000 1.017 461 T HN -0.017 nan 8.240 nan 0.000 0.471 462 I N 2.623 123.239 120.570 0.077 0.000 2.359 462 I HA 0.483 4.602 4.170 -0.084 0.000 0.294 462 I C 0.477 176.582 176.117 -0.020 0.000 0.987 462 I CA -0.175 61.148 61.300 0.038 0.000 1.225 462 I CB 1.739 39.747 38.000 0.014 0.000 1.366 462 I HN 0.426 nan 8.210 nan 0.000 0.466 463 T N 7.024 121.565 114.554 -0.022 0.000 3.068 463 T HA 0.365 4.665 4.350 -0.084 0.000 0.364 463 T C -2.635 172.063 174.700 -0.003 0.000 1.161 463 T CA -1.079 61.006 62.100 -0.024 0.000 1.155 463 T CB 1.055 69.893 68.868 -0.049 0.000 1.060 463 T HN 0.322 nan 8.240 nan 0.000 0.513 464 P HA 0.611 nan 4.420 nan 0.000 0.276 464 P C -0.155 177.181 177.300 0.059 0.000 1.244 464 P CA -0.173 62.947 63.100 0.033 0.000 0.801 464 P CB 1.544 33.269 31.700 0.042 0.000 1.006 465 G N 0.393 109.233 108.800 0.066 0.000 2.673 465 G HA2 0.582 4.492 3.960 -0.084 0.000 0.292 465 G HA3 0.582 4.492 3.960 -0.084 0.000 0.292 465 G C -2.039 172.930 174.900 0.114 0.000 1.450 465 G CA -0.593 44.569 45.100 0.104 0.000 0.837 465 G HN 0.586 nan 8.290 nan 0.000 0.505 466 M N 0.873 120.572 119.600 0.164 0.000 2.378 466 M HA 0.723 5.152 4.480 -0.084 0.000 0.289 466 M C -1.024 175.430 176.300 0.256 0.000 1.136 466 M CA -0.657 54.753 55.300 0.184 0.000 0.917 466 M CB 2.337 35.043 32.600 0.177 0.000 1.669 466 M HN 0.625 nan 8.290 nan 0.000 0.461 467 R N 3.415 124.064 120.500 0.249 0.000 2.686 467 R HA 0.740 5.029 4.340 -0.084 0.000 0.286 467 R C -2.229 174.269 176.300 0.330 0.000 0.969 467 R CA -0.470 55.809 56.100 0.298 0.000 0.898 467 R CB 1.518 31.942 30.300 0.207 0.000 1.183 467 R HN 0.787 nan 8.270 nan 0.000 0.456 468 F N 2.221 122.331 119.950 0.267 0.000 2.569 468 F HA 0.438 4.915 4.527 -0.084 0.000 0.312 468 F C -1.134 174.762 175.800 0.160 0.000 1.109 468 F CA -0.426 57.730 58.000 0.260 0.000 0.919 468 F CB 2.055 41.328 39.000 0.455 0.000 1.211 468 F HN 0.474 nan 8.300 nan 0.000 0.446 469 E N 3.462 123.277 120.200 -0.642 0.000 2.272 469 E HA 0.178 4.478 4.350 -0.084 0.000 0.269 469 E C -1.843 174.455 176.600 -0.504 0.000 0.877 469 E CA -0.943 55.192 56.400 -0.441 0.000 0.755 469 E CB 2.382 31.895 29.700 -0.311 0.000 1.192 469 E HN 0.615 nan 8.360 nan 0.000 0.422 470 H N 2.383 121.300 119.070 -0.255 0.000 2.539 470 H HA 0.496 5.002 4.556 -0.084 0.000 0.332 470 H C -1.485 173.723 175.328 -0.200 0.000 1.031 470 H CA -0.435 55.555 56.048 -0.097 0.000 1.206 470 H CB 0.411 30.321 29.762 0.245 0.000 1.446 470 H HN 0.343 nan 8.280 nan 0.000 0.496 471 I N 4.120 124.121 120.570 -0.948 0.000 2.545 471 I HA 0.279 4.399 4.170 -0.084 0.000 0.292 471 I C -0.611 175.063 176.117 -0.739 0.000 1.040 471 I CA -0.375 60.422 61.300 -0.837 0.000 1.068 471 I CB 2.156 39.655 38.000 -0.834 0.000 1.251 471 I HN 0.618 nan 8.210 nan 0.000 0.424 472 E N 4.201 124.182 120.200 -0.365 0.000 2.216 472 E HA 0.642 4.942 4.350 -0.084 0.000 0.260 472 E C -1.301 175.336 176.600 0.062 0.000 0.880 472 E CA -0.547 55.801 56.400 -0.086 0.000 0.765 472 E CB 1.943 31.673 29.700 0.049 0.000 1.174 472 E HN 0.513 nan 8.360 nan 0.000 0.417 473 S N 1.747 117.540 115.700 0.155 0.000 2.568 473 S HA 0.667 5.087 4.470 -0.084 0.000 0.293 473 S C -1.359 173.384 174.600 0.239 0.000 1.089 473 S CA -0.792 57.541 58.200 0.221 0.000 0.945 473 S CB 0.901 64.264 63.200 0.273 0.000 1.077 473 S HN 0.519 nan 8.310 nan 0.000 0.485 474 Y N -0.305 120.061 120.300 0.110 0.000 2.625 474 Y HA 0.774 5.273 4.550 -0.084 0.000 0.338 474 Y C -1.052 174.763 175.900 -0.142 0.000 1.123 474 Y CA -1.034 57.034 58.100 -0.054 0.000 1.046 474 Y CB 1.347 39.758 38.460 -0.081 0.000 1.299 474 Y HN 0.593 nan 8.280 nan 0.000 0.464 475 Q N 2.293 122.029 119.800 -0.108 0.000 2.275 475 Q HA 0.447 4.736 4.340 -0.084 0.000 0.258 475 Q C -2.163 173.816 176.000 -0.035 0.000 0.960 475 Q CA -0.704 55.019 55.803 -0.134 0.000 0.801 475 Q CB 1.295 29.975 28.738 -0.097 0.000 1.302 475 Q HN 0.852 nan 8.270 nan 0.000 0.433 476 N N 2.804 121.556 118.700 0.087 0.000 2.424 476 N HA 0.252 4.941 4.740 -0.084 0.000 0.271 476 N C -1.203 174.361 175.510 0.089 0.000 0.985 476 N CA -0.516 52.614 53.050 0.132 0.000 0.921 476 N CB 1.114 39.749 38.487 0.246 0.000 1.149 476 N HN 0.456 nan 8.380 nan 0.000 0.492 477 N N 1.702 120.449 118.700 0.078 0.000 2.500 477 N HA 0.213 4.902 4.740 -0.084 0.000 0.236 477 N C 0.284 175.843 175.510 0.081 0.000 1.022 477 N CA -0.287 52.805 53.050 0.069 0.000 0.935 477 N CB 1.058 39.579 38.487 0.056 0.000 1.147 477 N HN 0.587 nan 8.380 nan 0.000 0.512 478 A N 4.446 127.318 122.820 0.088 0.000 2.172 478 A HA -0.012 4.258 4.320 -0.084 0.000 0.216 478 A C 1.849 179.491 177.584 0.097 0.000 1.154 478 A CA 0.746 52.838 52.037 0.092 0.000 0.701 478 A CB -0.166 18.893 19.000 0.100 0.000 0.789 478 A HN 0.774 nan 8.150 nan 0.000 0.465 479 I N -0.688 119.940 120.570 0.096 0.000 2.556 479 I HA -0.110 4.010 4.170 -0.084 0.000 0.251 479 I C 2.626 178.779 176.117 0.060 0.000 1.105 479 I CA 1.598 62.949 61.300 0.085 0.000 1.436 479 I CB -0.454 37.600 38.000 0.089 0.000 1.139 479 I HN 0.434 nan 8.210 nan 0.000 0.438 480 T N -1.759 112.829 114.554 0.057 0.000 3.067 480 T HA 0.146 4.445 4.350 -0.084 0.000 0.261 480 T C 1.669 176.400 174.700 0.052 0.000 1.110 480 T CA 0.682 62.811 62.100 0.048 0.000 1.113 480 T CB 0.177 69.072 68.868 0.045 0.000 0.917 480 T HN 0.538 nan 8.240 nan 0.000 0.499 481 G N 1.734 110.570 108.800 0.061 0.000 2.184 481 G HA2 -0.280 3.629 3.960 -0.084 0.000 0.264 481 G HA3 -0.280 3.629 3.960 -0.084 0.000 0.264 481 G C 0.319 175.266 174.900 0.077 0.000 0.975 481 G CA 0.544 45.682 45.100 0.063 0.000 0.642 481 G HN 1.170 nan 8.290 nan 0.000 0.536 482 T N -2.296 112.306 114.554 0.080 0.000 2.882 482 T HA 0.553 4.852 4.350 -0.084 0.000 0.287 482 T C -0.250 174.533 174.700 0.140 0.000 1.014 482 T CA 0.241 62.399 62.100 0.097 0.000 1.049 482 T CB 2.139 71.050 68.868 0.072 0.000 1.001 482 T HN 0.830 nan 8.240 nan 0.000 0.525 483 H N -0.198 118.907 119.070 0.058 0.000 2.744 483 H HA 0.601 5.107 4.556 -0.084 0.000 0.339 483 H C -1.160 174.220 175.328 0.088 0.000 1.004 483 H CA -0.562 55.531 56.048 0.075 0.000 1.257 483 H CB 1.597 31.388 29.762 0.048 0.000 1.552 483 H HN 0.755 nan 8.280 nan 0.000 0.522 484 E N 2.919 122.945 120.200 -0.289 0.000 2.199 484 E HA 0.359 4.659 4.350 -0.084 0.000 0.269 484 E C -1.057 175.458 176.600 -0.141 0.000 0.899 484 E CA -0.655 55.678 56.400 -0.110 0.000 0.772 484 E CB 1.482 31.162 29.700 -0.033 0.000 1.155 484 E HN 0.659 nan 8.360 nan 0.000 0.408 485 E N 1.290 121.511 120.200 0.036 0.000 2.317 485 E HA 0.586 4.886 4.350 -0.084 0.000 0.270 485 E C -1.425 175.261 176.600 0.144 0.000 0.885 485 E CA -1.116 55.361 56.400 0.127 0.000 0.760 485 E CB 2.376 32.204 29.700 0.214 0.000 1.227 485 E HN 0.294 nan 8.360 nan 0.000 0.434 486 V N -1.162 118.859 119.914 0.178 0.000 2.808 486 V HA 0.791 4.860 4.120 -0.084 0.000 0.308 486 V C -0.955 175.288 176.094 0.248 0.000 1.099 486 V CA -0.534 61.889 62.300 0.205 0.000 0.920 486 V CB 1.872 33.807 31.823 0.187 0.000 1.014 486 V HN 0.542 nan 8.190 nan 0.000 0.425 487 S N 3.962 119.819 115.700 0.261 0.000 2.594 487 S HA 0.946 5.366 4.470 -0.084 0.000 0.296 487 S C -1.190 173.576 174.600 0.277 0.000 1.124 487 S CA -0.384 57.921 58.200 0.175 0.000 1.011 487 S CB 1.268 64.587 63.200 0.199 0.000 1.016 487 S HN 1.787 nan 8.310 nan 0.000 0.485 488 Y N 1.355 121.661 120.300 0.010 0.000 2.689 488 Y HA 0.675 5.174 4.550 -0.085 0.000 0.333 488 Y C -1.190 174.718 175.900 0.012 0.000 1.208 488 Y CA -1.290 56.844 58.100 0.058 0.000 1.055 488 Y CB 0.429 38.925 38.460 0.060 0.000 1.304 488 Y HN 0.573 nan 8.280 nan 0.000 0.455 489 N N 0.054 118.844 118.700 0.150 0.000 2.328 489 N HA 0.821 5.511 4.740 -0.084 0.000 0.299 489 N C -1.741 173.641 175.510 -0.213 0.000 1.179 489 N CA -1.075 51.906 53.050 -0.114 0.000 0.793 489 N CB 2.306 40.849 38.487 0.093 0.000 1.366 489 N HN 0.914 nan 8.380 nan 0.000 0.493 490 A N 1.546 123.977 122.820 -0.648 0.000 2.605 490 A HA 0.433 4.702 4.320 -0.084 0.000 0.293 490 A C -2.777 174.446 177.584 -0.601 0.000 1.216 490 A CA -1.267 50.385 52.037 -0.642 0.000 0.742 490 A CB 0.636 18.847 19.000 -1.315 0.000 1.170 490 A HN 0.430 nan 8.150 nan 0.000 0.443 491 P HA 0.383 nan 4.420 nan 0.000 0.293 491 P C -0.949 176.383 177.300 0.053 0.000 1.313 491 P CA -0.187 62.967 63.100 0.090 0.000 0.787 491 P CB 1.451 33.327 31.700 0.295 0.000 0.910 492 L N 5.976 127.248 121.223 0.082 0.000 2.408 492 L HA 0.374 4.664 4.340 -0.084 0.000 0.257 492 L C -2.182 174.743 176.870 0.091 0.000 1.053 492 L CA -2.077 52.809 54.840 0.077 0.000 0.922 492 L CB 0.891 43.001 42.059 0.084 0.000 1.261 492 L HN 0.196 nan 8.230 nan 0.000 0.458 493 P HA 0.460 nan 4.420 nan 0.000 0.280 493 P C -0.740 176.564 177.300 0.007 0.000 1.244 493 P CA -0.160 62.975 63.100 0.059 0.000 0.784 493 P CB 2.512 34.246 31.700 0.058 0.000 0.913 494 A N 3.089 125.915 122.820 0.009 0.000 2.527 494 A HA 0.795 5.065 4.320 -0.084 0.000 0.293 494 A C -1.745 175.822 177.584 -0.028 0.000 1.117 494 A CA -0.696 51.319 52.037 -0.035 0.000 0.723 494 A CB 1.556 20.542 19.000 -0.024 0.000 1.313 494 A HN 0.518 nan 8.150 nan 0.000 0.411 495 L N 1.841 123.030 121.223 -0.057 0.000 2.562 495 L HA 0.509 4.798 4.340 -0.084 0.000 0.266 495 L C -1.418 175.429 176.870 -0.038 0.000 0.949 495 L CA -0.270 54.551 54.840 -0.032 0.000 0.879 495 L CB 1.709 43.760 42.059 -0.013 0.000 1.278 495 L HN 0.858 nan 8.230 nan 0.000 0.404 496 N N 4.165 122.841 118.700 -0.040 0.000 2.258 496 N HA 0.666 5.355 4.740 -0.084 0.000 0.299 496 N C -1.652 173.853 175.510 -0.009 0.000 1.047 496 N CA -0.722 52.299 53.050 -0.049 0.000 0.814 496 N CB 2.791 41.184 38.487 -0.157 0.000 1.413 496 N HN 0.326 nan 8.380 nan 0.000 0.478 497 V N 1.838 121.785 119.914 0.056 0.000 2.540 497 V HA 0.453 4.523 4.120 -0.084 0.000 0.302 497 V C -0.736 175.430 176.094 0.121 0.000 1.035 497 V CA -0.802 61.577 62.300 0.130 0.000 0.873 497 V CB 1.781 33.740 31.823 0.226 0.000 0.992 497 V HN 0.625 nan 8.190 nan 0.000 0.428 498 L N 5.718 127.003 121.223 0.103 0.000 2.362 498 L HA 0.641 4.930 4.340 -0.084 0.000 0.275 498 L C -1.511 175.347 176.870 -0.019 0.000 0.998 498 L CA -0.339 54.489 54.840 -0.020 0.000 0.820 498 L CB 1.646 43.611 42.059 -0.158 0.000 1.270 498 L HN 0.641 nan 8.230 nan 0.000 0.415 499 Y N 3.374 123.474 120.300 -0.334 0.000 2.338 499 Y HA 0.486 4.985 4.550 -0.084 0.000 0.333 499 Y C -0.963 174.679 175.900 -0.430 0.000 0.968 499 Y CA -0.626 57.169 58.100 -0.508 0.000 1.123 499 Y CB 0.875 38.849 38.460 -0.810 0.000 1.165 499 Y HN 0.725 nan 8.280 nan 0.000 0.452 500 H N 7.003 125.552 119.070 -0.869 0.000 2.969 500 H HA 0.219 4.724 4.556 -0.084 0.000 0.269 500 H C 0.911 175.790 175.328 -0.748 0.000 1.223 500 H CA -0.094 55.603 56.048 -0.586 0.000 1.400 500 H CB 0.527 30.066 29.762 -0.371 0.000 1.500 500 H HN 0.814 nan 8.280 nan 0.000 0.486 501 L N 1.358 122.335 121.223 -0.409 0.000 1.994 501 L HA -0.090 4.199 4.340 -0.084 0.000 0.208 501 L C 1.147 177.953 176.870 -0.106 0.000 1.071 501 L CA 1.579 56.245 54.840 -0.291 0.000 0.745 501 L CB -0.104 41.666 42.059 -0.482 0.000 0.892 501 L HN 0.660 nan 8.230 nan 0.000 0.431 502 T N -6.609 107.981 114.554 0.060 0.000 2.804 502 T HA 0.115 4.414 4.350 -0.084 0.000 0.290 502 T C 0.399 175.187 174.700 0.148 0.000 1.099 502 T CA -0.688 61.489 62.100 0.128 0.000 1.011 502 T CB 1.648 70.664 68.868 0.247 0.000 1.291 502 T HN -0.029 nan 8.240 nan 0.000 0.523 503 D N -0.194 120.269 120.400 0.105 0.000 2.351 503 D HA -0.027 4.563 4.640 -0.084 0.000 0.216 503 D C 0.849 177.207 176.300 0.098 0.000 0.968 503 D CA 0.719 54.773 54.000 0.089 0.000 0.899 503 D CB 0.010 40.826 40.800 0.026 0.000 0.907 503 D HN 0.493 nan 8.370 nan 0.000 0.514 504 S N -0.835 114.932 115.700 0.112 0.000 2.846 504 S HA 0.117 4.537 4.470 -0.084 0.000 0.249 504 S C -0.654 174.065 174.600 0.197 0.000 1.028 504 S CA -0.698 57.490 58.200 -0.020 0.000 1.043 504 S CB 1.087 64.114 63.200 -0.288 0.000 0.990 504 S HN 0.261 nan 8.310 nan 0.000 0.564 505 W N 2.956 124.366 121.300 0.184 0.000 2.934 505 W HA 0.541 5.151 4.660 -0.084 0.000 0.333 505 W C -1.918 174.630 176.519 0.049 0.000 1.035 505 W CA -1.167 56.300 57.345 0.203 0.000 1.256 505 W CB 0.417 30.046 29.460 0.282 0.000 1.306 505 W HN -0.115 nan 8.180 nan 0.000 0.430 506 N N 3.788 122.619 118.700 0.219 0.000 2.404 506 N HA 0.673 5.362 4.740 -0.084 0.000 0.297 506 N C -1.493 173.959 175.510 -0.097 0.000 1.163 506 N CA -0.524 52.422 53.050 -0.175 0.000 0.864 506 N CB 2.064 40.245 38.487 -0.510 0.000 1.247 506 N HN 0.196 nan 8.380 nan 0.000 0.510 507 L N 1.365 122.484 121.223 -0.173 0.000 2.370 507 L HA 0.561 4.851 4.340 -0.084 0.000 0.266 507 L C -0.868 175.956 176.870 -0.076 0.000 1.002 507 L CA -0.837 53.911 54.840 -0.152 0.000 0.818 507 L CB 1.180 43.131 42.059 -0.180 0.000 1.325 507 L HN 0.570 nan 8.230 nan 0.000 0.418 508 Y N 0.411 120.661 120.300 -0.084 0.000 2.625 508 Y HA 0.968 5.468 4.550 -0.084 0.000 0.338 508 Y C -1.145 174.743 175.900 -0.020 0.000 1.123 508 Y CA -1.442 56.612 58.100 -0.077 0.000 1.046 508 Y CB 1.468 39.850 38.460 -0.129 0.000 1.299 508 Y HN 0.774 nan 8.280 nan 0.000 0.464 509 A N 2.345 125.319 122.820 0.257 0.000 2.612 509 A HA 0.845 5.114 4.320 -0.084 0.000 0.293 509 A C -1.707 176.004 177.584 0.211 0.000 1.075 509 A CA -0.280 51.881 52.037 0.207 0.000 0.680 509 A CB 1.834 20.909 19.000 0.126 0.000 1.279 509 A HN 1.598 nan 8.150 nan 0.000 0.411 510 N N -0.781 118.031 118.700 0.186 0.000 3.348 510 N HA 0.679 5.369 4.740 -0.084 0.000 0.233 510 N C -1.170 174.346 175.510 0.009 0.000 1.440 510 N CA 0.155 53.248 53.050 0.071 0.000 0.887 510 N CB 1.662 40.148 38.487 -0.002 0.000 1.410 510 N HN 0.882 nan 8.380 nan 0.000 0.502 511 T N -1.223 113.233 114.554 -0.164 0.000 3.105 511 T HA 0.584 4.883 4.350 -0.084 0.000 0.321 511 T C -2.199 172.287 174.700 -0.357 0.000 1.135 511 T CA -0.490 61.320 62.100 -0.482 0.000 1.053 511 T CB 0.598 68.831 68.868 -1.058 0.000 1.133 511 T HN 0.759 nan 8.240 nan 0.000 0.463 512 E N 2.395 122.395 120.200 -0.332 0.000 2.433 512 E HA 0.670 4.970 4.350 -0.084 0.000 0.278 512 E C -0.532 175.978 176.600 -0.150 0.000 0.976 512 E CA -1.536 54.752 56.400 -0.186 0.000 0.793 512 E CB 1.433 31.072 29.700 -0.102 0.000 1.311 512 E HN 0.701 nan 8.360 nan 0.000 0.460 513 G N 0.272 109.035 108.800 -0.062 0.000 2.356 513 G HA2 0.524 4.433 3.960 -0.084 0.000 0.322 513 G HA3 0.524 4.433 3.960 -0.084 0.000 0.322 513 G C -0.546 174.384 174.900 0.050 0.000 1.125 513 G CA -0.323 44.775 45.100 -0.004 0.000 0.885 513 G HN 0.572 nan 8.290 nan 0.000 0.467 514 S N 0.137 115.879 115.700 0.070 0.000 2.627 514 S HA 0.869 5.288 4.470 -0.084 0.000 0.283 514 S C -0.918 173.820 174.600 0.229 0.000 1.127 514 S CA -0.878 57.387 58.200 0.108 0.000 0.863 514 S CB 1.966 65.122 63.200 -0.072 0.000 1.121 514 S HN 1.474 nan 8.310 nan 0.000 0.479 515 F N -1.577 118.348 119.950 -0.042 0.000 2.662 515 F HA 0.947 5.424 4.527 -0.084 0.000 0.312 515 F C -0.411 175.414 175.800 0.042 0.000 1.113 515 F CA -0.889 57.138 58.000 0.045 0.000 0.951 515 F CB 1.012 40.062 39.000 0.082 0.000 1.344 515 F HN 0.920 nan 8.300 nan 0.000 0.462 516 G N 0.434 109.292 108.800 0.097 0.000 2.452 516 G HA2 0.553 4.463 3.960 -0.084 0.000 0.324 516 G HA3 0.553 4.463 3.960 -0.084 0.000 0.324 516 G C -0.796 174.173 174.900 0.115 0.000 1.214 516 G CA -0.451 44.640 45.100 -0.016 0.000 0.947 516 G HN 1.019 nan 8.290 nan 0.000 0.478 517 T N -1.645 112.912 114.554 0.006 0.000 2.788 517 T HA 0.444 4.744 4.350 -0.084 0.000 0.280 517 T C 0.155 174.833 174.700 -0.036 0.000 0.984 517 T CA -0.561 61.645 62.100 0.178 0.000 0.972 517 T CB 1.409 70.387 68.868 0.182 0.000 1.039 517 T HN 0.337 nan 8.240 nan 0.000 0.530 518 V N 2.625 122.430 119.914 -0.182 0.000 2.372 518 V HA 0.194 4.264 4.120 -0.084 0.000 0.261 518 V C 0.679 176.597 176.094 -0.294 0.000 1.055 518 V CA -0.429 61.569 62.300 -0.504 0.000 0.930 518 V CB 0.046 31.472 31.823 -0.662 0.000 1.031 518 V HN 0.836 nan 8.190 nan 0.000 0.479 519 Q N 2.809 122.427 119.800 -0.303 0.000 2.394 519 Q HA 0.159 4.449 4.340 -0.084 0.000 0.248 519 Q C 0.440 176.339 176.000 -0.168 0.000 0.992 519 Q CA -0.251 55.393 55.803 -0.265 0.000 0.888 519 Q CB 0.696 29.324 28.738 -0.183 0.000 1.257 519 Q HN 0.691 nan 8.270 nan 0.000 0.462 520 Y N 0.344 120.618 120.300 -0.044 0.000 2.151 520 Y HA -0.281 4.217 4.550 -0.085 0.000 0.284 520 Y C 2.552 178.424 175.900 -0.046 0.000 1.166 520 Y CA 1.564 59.636 58.100 -0.047 0.000 1.163 520 Y CB -0.840 37.608 38.460 -0.019 0.000 0.974 520 Y HN 0.677 nan 8.280 nan 0.000 0.511 521 S N -0.868 114.901 115.700 0.116 0.000 2.474 521 S HA -0.139 4.280 4.470 -0.084 0.000 0.235 521 S C 1.456 176.065 174.600 0.016 0.000 0.997 521 S CA 0.971 59.209 58.200 0.063 0.000 0.949 521 S CB -0.174 63.058 63.200 0.053 0.000 0.766 521 S HN 0.435 nan 8.310 nan 0.000 0.517 522 Q N 0.173 119.945 119.800 -0.045 0.000 2.319 522 Q HA 0.398 4.687 4.340 -0.084 0.000 0.209 522 Q C 1.866 177.789 176.000 -0.129 0.000 0.884 522 Q CA -0.008 55.734 55.803 -0.101 0.000 0.938 522 Q CB -0.193 28.393 28.738 -0.253 0.000 1.098 522 Q HN 0.580 nan 8.270 nan 0.000 0.517 523 I N 0.539 121.062 120.570 -0.078 0.000 2.208 523 I HA -0.249 3.871 4.170 -0.084 0.000 0.245 523 I C 2.188 178.305 176.117 -0.001 0.000 1.097 523 I CA 1.527 62.801 61.300 -0.043 0.000 1.363 523 I CB -0.532 37.481 38.000 0.023 0.000 1.051 523 I HN 0.225 nan 8.210 nan 0.000 0.413 524 G N 0.856 109.665 108.800 0.016 0.000 2.476 524 G HA2 -0.332 3.578 3.960 -0.084 0.000 0.218 524 G HA3 -0.332 3.578 3.960 -0.084 0.000 0.218 524 G C 1.701 176.628 174.900 0.045 0.000 1.164 524 G CA 1.143 46.262 45.100 0.032 0.000 0.768 524 G HN 0.354 nan 8.290 nan 0.000 0.560 525 K N 0.572 121.004 120.400 0.053 0.000 2.057 525 K HA 0.100 4.369 4.320 -0.084 0.000 0.206 525 K C 2.811 179.486 176.600 0.125 0.000 1.050 525 K CA 1.271 57.612 56.287 0.091 0.000 0.935 525 K CB -0.363 32.213 32.500 0.127 0.000 0.715 525 K HN 0.194 nan 8.250 nan 0.000 0.439 526 A N 1.159 124.050 122.820 0.118 0.000 1.865 526 A HA -0.166 4.103 4.320 -0.084 0.000 0.217 526 A C 2.312 179.964 177.584 0.113 0.000 1.191 526 A CA 2.235 54.370 52.037 0.164 0.000 0.623 526 A CB -1.106 17.874 19.000 -0.034 0.000 0.826 526 A HN 0.335 nan 8.150 nan 0.000 0.444 527 V N -2.184 117.774 119.914 0.073 0.000 2.427 527 V HA -0.261 3.809 4.120 -0.084 0.000 0.248 527 V C 2.306 178.442 176.094 0.070 0.000 1.051 527 V CA 2.409 64.753 62.300 0.074 0.000 1.048 527 V CB -1.098 30.764 31.823 0.066 0.000 0.666 527 V HN 0.652 nan 8.190 nan 0.000 0.456 528 Q N 1.426 121.265 119.800 0.065 0.000 2.079 528 Q HA -0.175 4.114 4.340 -0.084 0.000 0.200 528 Q C 2.459 178.492 176.000 0.056 0.000 0.974 528 Q CA 2.281 58.117 55.803 0.057 0.000 0.840 528 Q CB -0.188 28.581 28.738 0.051 0.000 0.898 528 Q HN 0.904 nan 8.270 nan 0.000 0.430 529 S N -1.500 114.239 115.700 0.065 0.000 2.447 529 S HA 0.015 4.434 4.470 -0.084 0.000 0.233 529 S C 1.450 176.081 174.600 0.051 0.000 1.006 529 S CA 0.958 59.190 58.200 0.053 0.000 0.957 529 S CB 0.001 63.234 63.200 0.056 0.000 0.773 529 S HN 0.678 nan 8.310 nan 0.000 0.507 530 G N 0.726 109.565 108.800 0.065 0.000 2.157 530 G HA2 -0.243 3.666 3.960 -0.084 0.000 0.239 530 G HA3 -0.243 3.666 3.960 -0.084 0.000 0.239 530 G C -0.188 174.754 174.900 0.069 0.000 0.982 530 G CA 0.045 45.182 45.100 0.063 0.000 0.650 530 G HN 0.775 nan 8.290 nan 0.000 0.527 531 N N -0.695 118.054 118.700 0.081 0.000 2.399 531 N HA 0.589 5.278 4.740 -0.084 0.000 0.284 531 N C 0.536 176.131 175.510 0.141 0.000 1.025 531 N CA -0.365 52.735 53.050 0.084 0.000 0.885 531 N CB 2.038 40.547 38.487 0.037 0.000 1.339 531 N HN 0.083 nan 8.380 nan 0.000 0.487 532 V N 1.178 121.169 119.914 0.128 0.000 3.319 532 V HA 0.232 4.302 4.120 -0.084 0.000 0.317 532 V C 0.458 176.569 176.094 0.029 0.000 1.411 532 V CA -0.237 62.129 62.300 0.110 0.000 1.112 532 V CB -0.583 31.305 31.823 0.109 0.000 1.031 532 V HN 0.654 nan 8.190 nan 0.000 0.448 533 E N 2.944 123.193 120.200 0.082 0.000 2.437 533 E HA 0.110 4.409 4.350 -0.084 0.000 0.263 533 E C -2.111 174.492 176.600 0.006 0.000 1.030 533 E CA -1.238 55.190 56.400 0.048 0.000 0.934 533 E CB 0.456 30.192 29.700 0.059 0.000 0.943 533 E HN 0.230 nan 8.360 nan 0.000 0.444 534 P HA 0.041 nan 4.420 nan 0.000 0.274 534 P C -0.999 176.415 177.300 0.189 0.000 1.256 534 P CA -0.142 63.000 63.100 0.071 0.000 0.795 534 P CB 0.491 32.367 31.700 0.294 0.000 1.038 535 E N 0.752 121.109 120.200 0.261 0.000 2.223 535 E HA 0.177 4.476 4.350 -0.084 0.000 0.282 535 E C -0.242 176.593 176.600 0.391 0.000 1.046 535 E CA -0.197 56.333 56.400 0.216 0.000 0.857 535 E CB 0.460 30.280 29.700 0.201 0.000 1.055 535 E HN 0.267 nan 8.360 nan 0.000 0.409 536 K N 1.584 122.172 120.400 0.314 0.000 2.182 536 K HA 0.674 4.943 4.320 -0.084 0.000 0.262 536 K C -0.813 176.031 176.600 0.406 0.000 0.957 536 K CA -0.651 55.833 56.287 0.328 0.000 0.842 536 K CB 1.958 34.579 32.500 0.201 0.000 1.099 536 K HN 0.484 nan 8.250 nan 0.000 0.438 537 A N 2.249 125.232 122.820 0.271 0.000 2.435 537 A HA 0.738 5.007 4.320 -0.084 0.000 0.304 537 A C -1.361 176.274 177.584 0.086 0.000 1.064 537 A CA -0.717 51.422 52.037 0.172 0.000 0.727 537 A CB 1.595 20.526 19.000 -0.116 0.000 1.284 537 A HN 0.624 nan 8.150 nan 0.000 0.415 538 R N 0.524 121.078 120.500 0.090 0.000 2.476 538 R HA 0.683 4.972 4.340 -0.084 0.000 0.305 538 R C -1.094 175.206 176.300 -0.000 0.000 0.965 538 R CA 0.159 56.269 56.100 0.017 0.000 0.867 538 R CB 1.592 31.953 30.300 0.101 0.000 1.176 538 R HN 0.736 nan 8.270 nan 0.000 0.447 539 T N 3.281 117.735 114.554 -0.166 0.000 2.912 539 T HA 0.606 4.905 4.350 -0.084 0.000 0.288 539 T C -1.251 173.265 174.700 -0.307 0.000 1.030 539 T CA -0.363 61.686 62.100 -0.085 0.000 1.020 539 T CB 0.804 69.640 68.868 -0.054 0.000 1.056 539 T HN 0.442 nan 8.240 nan 0.000 0.480 540 W N 1.014 122.376 121.300 0.105 0.000 2.998 540 W HA 0.572 5.182 4.660 -0.085 0.000 0.335 540 W C -0.201 176.401 176.519 0.138 0.000 1.110 540 W CA -0.670 56.735 57.345 0.101 0.000 1.230 540 W CB 1.381 30.889 29.460 0.081 0.000 1.405 540 W HN 0.535 nan 8.180 nan 0.000 0.493 541 E N 2.798 123.207 120.200 0.349 0.000 2.340 541 E HA 0.670 4.969 4.350 -0.084 0.000 0.273 541 E C -1.700 175.056 176.600 0.260 0.000 0.891 541 E CA -1.262 55.332 56.400 0.324 0.000 0.757 541 E CB 3.264 33.174 29.700 0.350 0.000 1.231 541 E HN 0.389 nan 8.360 nan 0.000 0.439 542 L N 1.366 122.672 121.223 0.139 0.000 2.470 542 L HA 0.776 5.066 4.340 -0.084 0.000 0.268 542 L C -0.737 175.929 176.870 -0.340 0.000 0.964 542 L CA -0.239 54.549 54.840 -0.085 0.000 0.839 542 L CB 1.722 43.762 42.059 -0.032 0.000 1.276 542 L HN 0.782 nan 8.230 nan 0.000 0.403 543 G N 0.957 109.182 108.800 -0.959 0.000 2.606 543 G HA2 0.567 4.477 3.960 -0.084 0.000 0.300 543 G HA3 0.567 4.477 3.960 -0.084 0.000 0.300 543 G C -1.750 172.675 174.900 -0.791 0.000 1.360 543 G CA -0.253 44.264 45.100 -0.972 0.000 0.783 543 G HN 0.484 nan 8.290 nan 0.000 0.484 544 T N -1.046 113.354 114.554 -0.258 0.000 2.889 544 T HA 0.707 5.006 4.350 -0.084 0.000 0.315 544 T C -1.462 173.364 174.700 0.210 0.000 1.291 544 T CA -0.620 61.504 62.100 0.040 0.000 1.028 544 T CB 1.868 70.866 68.868 0.218 0.000 1.235 544 T HN 0.640 nan 8.240 nan 0.000 0.491 545 R N 2.255 122.914 120.500 0.264 0.000 2.574 545 R HA 0.569 4.859 4.340 -0.084 0.000 0.288 545 R C -2.097 174.447 176.300 0.407 0.000 1.004 545 R CA -0.732 55.515 56.100 0.244 0.000 0.895 545 R CB 1.750 32.072 30.300 0.037 0.000 1.191 545 R HN 0.721 nan 8.270 nan 0.000 0.444 546 Y N 2.212 122.644 120.300 0.220 0.000 2.499 546 Y HA 0.421 4.921 4.550 -0.085 0.000 0.347 546 Y C -1.277 174.724 175.900 0.167 0.000 0.987 546 Y CA -0.619 57.554 58.100 0.122 0.000 1.044 546 Y CB 1.987 40.266 38.460 -0.302 0.000 1.245 546 Y HN 0.547 nan 8.280 nan 0.000 0.461 547 D N 3.946 123.981 120.400 -0.608 0.000 2.362 547 D HA 0.089 4.679 4.640 -0.084 0.000 0.232 547 D C -1.089 174.846 176.300 -0.609 0.000 1.329 547 D CA -0.281 53.450 54.000 -0.448 0.000 0.944 547 D CB 0.366 40.957 40.800 -0.349 0.000 1.471 547 D HN 0.769 nan 8.370 nan 0.000 0.533 548 D N 1.878 121.960 120.400 -0.530 0.000 2.325 548 D HA 0.300 4.890 4.640 -0.084 0.000 0.225 548 D C 1.455 177.692 176.300 -0.106 0.000 1.096 548 D CA 0.556 54.394 54.000 -0.270 0.000 0.844 548 D CB 0.389 41.177 40.800 -0.020 0.000 0.925 548 D HN 0.582 nan 8.370 nan 0.000 0.513 549 G N 0.522 109.256 108.800 -0.110 0.000 3.400 549 G HA2 -0.322 3.588 3.960 -0.084 0.000 0.209 549 G HA3 -0.322 3.588 3.960 -0.084 0.000 0.209 549 G C 1.305 176.206 174.900 0.001 0.000 1.411 549 G CA 0.244 45.306 45.100 -0.062 0.000 0.917 549 G HN 0.836 nan 8.290 nan 0.000 0.570 550 A N 0.090 122.939 122.820 0.049 0.000 2.238 550 A HA 0.683 4.952 4.320 -0.084 0.000 0.208 550 A C 0.854 178.567 177.584 0.215 0.000 1.177 550 A CA 1.518 53.599 52.037 0.072 0.000 0.804 550 A CB 0.056 19.091 19.000 0.058 0.000 0.823 550 A HN 1.422 nan 8.150 nan 0.000 0.482 551 L N 0.678 122.051 121.223 0.250 0.000 2.562 551 L HA 0.409 4.699 4.340 -0.084 0.000 0.266 551 L C -1.317 175.705 176.870 0.253 0.000 0.949 551 L CA -0.072 54.974 54.840 0.343 0.000 0.879 551 L CB 1.940 44.232 42.059 0.388 0.000 1.278 551 L HN 0.205 nan 8.230 nan 0.000 0.404 552 T N 1.851 116.527 114.554 0.204 0.000 2.824 552 T HA 0.938 5.237 4.350 -0.084 0.000 0.282 552 T C -0.456 174.355 174.700 0.185 0.000 0.993 552 T CA -0.315 61.889 62.100 0.175 0.000 0.967 552 T CB 2.208 71.140 68.868 0.107 0.000 0.960 552 T HN 0.957 nan 8.240 nan 0.000 0.441 553 A N 2.740 125.684 122.820 0.206 0.000 2.609 553 A HA 0.910 5.180 4.320 -0.084 0.000 0.291 553 A C -1.085 176.598 177.584 0.165 0.000 1.096 553 A CA -1.068 51.055 52.037 0.144 0.000 0.684 553 A CB 1.698 20.732 19.000 0.057 0.000 1.282 553 A HN 1.198 nan 8.150 nan 0.000 0.412 554 E N 0.115 120.399 120.200 0.139 0.000 2.375 554 E HA 0.686 4.985 4.350 -0.084 0.000 0.280 554 E C -1.368 175.316 176.600 0.139 0.000 0.972 554 E CA -0.765 55.730 56.400 0.159 0.000 0.782 554 E CB 1.724 31.526 29.700 0.169 0.000 1.229 554 E HN 0.876 nan 8.360 nan 0.000 0.439 555 M N 1.760 121.443 119.600 0.138 0.000 2.413 555 M HA 0.670 5.099 4.480 -0.084 0.000 0.287 555 M C -1.787 174.572 176.300 0.099 0.000 1.186 555 M CA -0.192 55.181 55.300 0.121 0.000 0.927 555 M CB 2.391 35.048 32.600 0.095 0.000 1.715 555 M HN 0.840 nan 8.290 nan 0.000 0.478 556 G N 3.672 112.550 108.800 0.129 0.000 2.704 556 G HA2 0.722 4.632 3.960 -0.084 0.000 0.293 556 G HA3 0.722 4.632 3.960 -0.084 0.000 0.293 556 G C -2.291 172.703 174.900 0.156 0.000 1.421 556 G CA -0.735 44.440 45.100 0.124 0.000 0.870 556 G HN 0.740 nan 8.290 nan 0.000 0.492 557 L N 0.126 121.424 121.223 0.125 0.000 2.333 557 L HA 0.824 5.113 4.340 -0.084 0.000 0.269 557 L C -0.688 176.296 176.870 0.191 0.000 1.010 557 L CA -1.019 53.865 54.840 0.073 0.000 0.818 557 L CB 2.119 44.177 42.059 -0.002 0.000 1.306 557 L HN 0.690 nan 8.230 nan 0.000 0.430 558 F N 1.564 121.576 119.950 0.103 0.000 2.631 558 F HA 0.824 5.301 4.527 -0.084 0.000 0.308 558 F C -1.676 174.204 175.800 0.133 0.000 1.097 558 F CA -1.316 56.758 58.000 0.124 0.000 0.952 558 F CB 1.569 40.623 39.000 0.091 0.000 1.307 558 F HN 0.217 nan 8.300 nan 0.000 0.450 559 L N 3.741 125.205 121.223 0.401 0.000 2.476 559 L HA 0.748 5.037 4.340 -0.084 0.000 0.269 559 L C -1.916 175.205 176.870 0.419 0.000 0.965 559 L CA -0.779 54.257 54.840 0.327 0.000 0.845 559 L CB 1.758 43.959 42.059 0.236 0.000 1.259 559 L HN 0.737 nan 8.230 nan 0.000 0.403 560 I N 4.642 125.445 120.570 0.389 0.000 2.466 560 I HA 0.457 4.576 4.170 -0.084 0.000 0.289 560 I C -0.683 175.632 176.117 0.331 0.000 1.026 560 I CA -0.628 60.855 61.300 0.306 0.000 1.078 560 I CB 2.045 40.157 38.000 0.187 0.000 1.249 560 I HN 0.546 nan 8.210 nan 0.000 0.429 561 N N 5.866 124.741 118.700 0.291 0.000 2.518 561 N HA 0.304 4.994 4.740 -0.084 0.000 0.254 561 N C -1.503 174.206 175.510 0.332 0.000 0.979 561 N CA -0.342 52.882 53.050 0.290 0.000 0.930 561 N CB 1.965 40.599 38.487 0.246 0.000 1.152 561 N HN 0.344 nan 8.380 nan 0.000 0.505 562 F N 3.124 123.170 119.950 0.160 0.000 2.332 562 F HA 0.424 4.900 4.527 -0.085 0.000 0.368 562 F C -0.305 175.545 175.800 0.084 0.000 1.110 562 F CA -1.251 56.813 58.000 0.107 0.000 1.087 562 F CB -0.007 39.054 39.000 0.101 0.000 1.235 562 F HN 0.281 nan 8.300 nan 0.000 0.470 563 N N 2.604 121.409 118.700 0.174 0.000 2.525 563 N HA 0.295 4.984 4.740 -0.084 0.000 0.288 563 N C -0.317 175.095 175.510 -0.163 0.000 1.242 563 N CA -0.973 52.061 53.050 -0.027 0.000 0.905 563 N CB 0.357 38.872 38.487 0.048 0.000 1.258 563 N HN 0.480 nan 8.380 nan 0.000 0.551 564 N N -0.429 118.165 118.700 -0.177 0.000 2.716 564 N HA -0.238 4.451 4.740 -0.084 0.000 0.250 564 N C -1.345 173.931 175.510 -0.390 0.000 1.033 564 N CA 0.514 53.410 53.050 -0.257 0.000 0.727 564 N CB -0.925 37.460 38.487 -0.170 0.000 0.950 564 N HN 0.537 nan 8.380 nan 0.000 0.541 565 Q N -0.303 119.241 119.800 -0.427 0.000 2.296 565 Q HA 0.065 4.355 4.340 -0.084 0.000 0.262 565 Q C 0.562 176.375 176.000 -0.312 0.000 0.981 565 Q CA -0.324 55.229 55.803 -0.416 0.000 0.905 565 Q CB 0.355 28.782 28.738 -0.519 0.000 1.186 565 Q HN 0.443 nan 8.270 nan 0.000 0.399 566 Y N 0.307 120.521 120.300 -0.144 0.000 2.421 566 Y HA -0.139 4.361 4.550 -0.085 0.000 0.292 566 Y C 0.404 176.262 175.900 -0.071 0.000 1.136 566 Y CA 0.770 58.815 58.100 -0.092 0.000 1.255 566 Y CB 0.443 38.856 38.460 -0.077 0.000 0.991 566 Y HN 0.496 nan 8.280 nan 0.000 0.552 567 D N 0.168 120.587 120.400 0.033 0.000 2.347 567 D HA 0.062 4.651 4.640 -0.084 0.000 0.235 567 D C -0.032 176.248 176.300 -0.034 0.000 1.149 567 D CA 0.053 54.062 54.000 0.015 0.000 0.850 567 D CB 1.250 42.062 40.800 0.020 0.000 1.061 567 D HN -0.007 nan 8.370 nan 0.000 0.487 568 S N 2.178 117.865 115.700 -0.023 0.000 2.603 568 S HA 0.086 4.505 4.470 -0.084 0.000 0.268 568 S C 0.860 175.447 174.600 -0.020 0.000 1.317 568 S CA -0.337 57.840 58.200 -0.037 0.000 1.012 568 S CB 0.554 63.739 63.200 -0.025 0.000 0.926 568 S HN 0.333 nan 8.310 nan 0.000 0.539 569 N N 1.089 119.771 118.700 -0.030 0.000 2.270 569 N HA 0.154 4.844 4.740 -0.084 0.000 0.198 569 N C -0.199 175.294 175.510 -0.029 0.000 1.117 569 N CA -0.151 52.881 53.050 -0.030 0.000 0.845 569 N CB 0.320 38.782 38.487 -0.043 0.000 0.980 569 N HN 0.547 nan 8.380 nan 0.000 0.486 570 Q N 0.071 119.863 119.800 -0.014 0.000 2.260 570 Q HA 0.132 4.421 4.340 -0.084 0.000 0.238 570 Q C 1.268 177.270 176.000 0.004 0.000 0.948 570 Q CA -0.098 55.700 55.803 -0.009 0.000 0.895 570 Q CB 1.090 29.826 28.738 -0.003 0.000 1.218 570 Q HN 0.309 nan 8.270 nan 0.000 0.470 571 T N -1.317 113.238 114.554 0.001 0.000 2.684 571 T HA -0.110 4.190 4.350 -0.084 0.000 0.267 571 T C 0.528 175.259 174.700 0.052 0.000 1.036 571 T CA 1.064 63.181 62.100 0.028 0.000 1.148 571 T CB 0.013 68.893 68.868 0.019 0.000 0.863 571 T HN 0.403 nan 8.240 nan 0.000 0.436 572 N N 2.556 121.275 118.700 0.033 0.000 2.469 572 N HA 0.261 4.950 4.740 -0.084 0.000 0.253 572 N C -1.459 174.066 175.510 0.026 0.000 0.970 572 N CA -0.358 52.712 53.050 0.033 0.000 0.940 572 N CB 1.448 39.950 38.487 0.025 0.000 1.128 572 N HN 0.409 nan 8.380 nan 0.000 0.503 573 D N 1.595 122.015 120.400 0.032 0.000 2.350 573 D HA 0.154 4.743 4.640 -0.084 0.000 0.249 573 D C -0.151 176.162 176.300 0.022 0.000 1.119 573 D CA 0.204 54.219 54.000 0.026 0.000 0.886 573 D CB 1.125 41.946 40.800 0.035 0.000 1.195 573 D HN 0.489 nan 8.370 nan 0.000 0.437 574 T N -0.527 114.036 114.554 0.015 0.000 2.930 574 T HA 0.204 4.503 4.350 -0.084 0.000 0.290 574 T C 1.108 175.818 174.700 0.018 0.000 1.052 574 T CA -0.810 61.298 62.100 0.015 0.000 1.017 574 T CB 1.349 70.221 68.868 0.008 0.000 1.137 574 T HN 0.099 nan 8.240 nan 0.000 0.511 575 V N 1.422 121.350 119.914 0.023 0.000 2.594 575 V HA -0.103 3.967 4.120 -0.084 0.000 0.253 575 V C 2.328 178.435 176.094 0.022 0.000 1.069 575 V CA 2.818 65.137 62.300 0.033 0.000 1.082 575 V CB -1.187 30.657 31.823 0.036 0.000 0.680 575 V HN 1.163 nan 8.190 nan 0.000 0.469 576 T N -1.801 112.756 114.554 0.005 0.000 3.051 576 T HA 0.394 4.693 4.350 -0.084 0.000 0.255 576 T C 0.962 175.639 174.700 -0.038 0.000 1.085 576 T CA 0.511 62.603 62.100 -0.013 0.000 1.109 576 T CB -0.206 68.657 68.868 -0.008 0.000 0.921 576 T HN 0.698 nan 8.240 nan 0.000 0.488 577 A N 2.169 124.969 122.820 -0.032 0.000 2.520 577 A HA 0.551 4.820 4.320 -0.084 0.000 0.235 577 A C 0.271 177.801 177.584 -0.090 0.000 1.065 577 A CA -0.208 51.800 52.037 -0.047 0.000 0.764 577 A CB 0.158 19.142 19.000 -0.028 0.000 1.002 577 A HN 0.363 nan 8.150 nan 0.000 0.502 578 R N 0.776 121.211 120.500 -0.109 0.000 2.533 578 R HA 0.407 4.697 4.340 -0.084 0.000 0.288 578 R C 0.099 176.314 176.300 -0.141 0.000 1.039 578 R CA -0.108 55.887 56.100 -0.175 0.000 0.909 578 R CB 1.653 31.823 30.300 -0.217 0.000 1.195 578 R HN 0.976 nan 8.270 nan 0.000 0.438 579 G N 1.464 110.164 108.800 -0.166 0.000 2.483 579 G HA2 0.292 4.201 3.960 -0.084 0.000 0.248 579 G HA3 0.292 4.201 3.960 -0.084 0.000 0.248 579 G C -0.597 174.206 174.900 -0.162 0.000 1.248 579 G CA -0.097 44.918 45.100 -0.143 0.000 0.838 579 G HN 0.407 nan 8.290 nan 0.000 0.566 580 K N 0.271 120.618 120.400 -0.089 0.000 2.581 580 K HA 0.520 4.789 4.320 -0.084 0.000 0.249 580 K C -0.809 175.792 176.600 0.002 0.000 0.966 580 K CA -0.639 55.623 56.287 -0.042 0.000 0.811 580 K CB 1.561 34.062 32.500 0.002 0.000 1.223 580 K HN 0.698 nan 8.250 nan 0.000 0.438 581 T N 0.593 115.189 114.554 0.070 0.000 2.906 581 T HA 0.525 4.825 4.350 -0.084 0.000 0.295 581 T C -0.879 173.886 174.700 0.109 0.000 1.061 581 T CA -0.997 61.134 62.100 0.052 0.000 1.000 581 T CB 1.783 70.715 68.868 0.107 0.000 1.103 581 T HN 0.624 nan 8.240 nan 0.000 0.486 582 R N 0.910 121.363 120.500 -0.079 0.000 2.494 582 R HA 0.449 4.738 4.340 -0.084 0.000 0.305 582 R C -1.045 175.136 176.300 -0.197 0.000 0.959 582 R CA -0.720 55.384 56.100 0.007 0.000 0.864 582 R CB 0.893 31.191 30.300 -0.004 0.000 1.159 582 R HN 0.839 nan 8.270 nan 0.000 0.446 583 H N 3.305 122.456 119.070 0.135 0.000 2.800 583 H HA 0.259 4.764 4.556 -0.085 0.000 0.322 583 H C -0.687 174.785 175.328 0.239 0.000 0.979 583 H CA -0.694 55.469 56.048 0.192 0.000 1.277 583 H CB 1.912 31.810 29.762 0.226 0.000 1.484 583 H HN 0.706 nan 8.280 nan 0.000 0.512 584 T N 0.738 115.340 114.554 0.080 0.000 2.907 584 T HA 0.809 5.108 4.350 -0.084 0.000 0.292 584 T C 0.413 174.703 174.700 -0.684 0.000 1.043 584 T CA -0.773 61.140 62.100 -0.312 0.000 1.003 584 T CB 2.899 71.671 68.868 -0.160 0.000 1.084 584 T HN 0.774 nan 8.240 nan 0.000 0.483 585 G N 0.263 108.309 108.800 -1.257 0.000 2.321 585 G HA2 0.480 4.390 3.960 -0.084 0.000 0.296 585 G HA3 0.480 4.390 3.960 -0.084 0.000 0.296 585 G C -2.348 172.222 174.900 -0.551 0.000 1.287 585 G CA -0.676 43.982 45.100 -0.737 0.000 0.846 585 G HN 1.099 nan 8.290 nan 0.000 0.508 586 L N -0.238 120.969 121.223 -0.028 0.000 2.408 586 L HA 0.877 5.167 4.340 -0.084 0.000 0.268 586 L C -0.942 176.030 176.870 0.170 0.000 0.986 586 L CA -0.694 54.207 54.840 0.101 0.000 0.820 586 L CB 2.070 44.211 42.059 0.136 0.000 1.303 586 L HN 0.687 nan 8.230 nan 0.000 0.411 587 E N 2.723 123.047 120.200 0.207 0.000 2.234 587 E HA 0.546 4.845 4.350 -0.084 0.000 0.266 587 E C -1.327 175.363 176.600 0.150 0.000 0.877 587 E CA -0.655 55.834 56.400 0.148 0.000 0.758 587 E CB 2.538 32.333 29.700 0.159 0.000 1.170 587 E HN 0.537 nan 8.360 nan 0.000 0.415 588 T N 1.823 116.466 114.554 0.148 0.000 2.853 588 T HA 0.433 4.733 4.350 -0.084 0.000 0.311 588 T C -2.101 172.695 174.700 0.160 0.000 1.307 588 T CA -0.586 61.613 62.100 0.166 0.000 1.019 588 T CB 1.605 70.594 68.868 0.201 0.000 1.264 588 T HN 0.618 nan 8.240 nan 0.000 0.497 589 Q N 1.729 121.615 119.800 0.143 0.000 2.545 589 Q HA 0.733 5.023 4.340 -0.084 0.000 0.273 589 Q C -2.156 173.925 176.000 0.135 0.000 0.975 589 Q CA -1.141 54.748 55.803 0.143 0.000 0.876 589 Q CB 1.397 30.203 28.738 0.113 0.000 1.472 589 Q HN 1.003 nan 8.270 nan 0.000 0.389 590 A N 1.781 124.693 122.820 0.153 0.000 2.606 590 A HA 0.907 5.177 4.320 -0.084 0.000 0.293 590 A C -1.673 176.030 177.584 0.198 0.000 1.082 590 A CA -0.737 51.386 52.037 0.145 0.000 0.685 590 A CB 2.365 21.423 19.000 0.096 0.000 1.284 590 A HN 0.753 nan 8.150 nan 0.000 0.408 591 R N 0.487 121.107 120.500 0.199 0.000 2.522 591 R HA 0.530 4.819 4.340 -0.084 0.000 0.283 591 R C -2.521 173.950 176.300 0.284 0.000 1.074 591 R CA -0.419 55.827 56.100 0.243 0.000 0.925 591 R CB 1.517 31.925 30.300 0.180 0.000 1.205 591 R HN 0.825 nan 8.270 nan 0.000 0.436 592 Y N 2.999 123.363 120.300 0.106 0.000 2.361 592 Y HA 0.258 4.757 4.550 -0.085 0.000 0.337 592 Y C -0.978 174.967 175.900 0.075 0.000 0.965 592 Y CA -1.491 56.654 58.100 0.075 0.000 1.091 592 Y CB 1.781 40.271 38.460 0.051 0.000 1.182 592 Y HN 0.583 nan 8.280 nan 0.000 0.450 593 D N 6.647 126.862 120.400 -0.308 0.000 2.402 593 D HA 0.086 4.676 4.640 -0.084 0.000 0.235 593 D C 0.893 176.822 176.300 -0.619 0.000 1.226 593 D CA 0.269 54.079 54.000 -0.316 0.000 0.918 593 D CB 0.606 41.291 40.800 -0.192 0.000 1.043 593 D HN 0.854 nan 8.370 nan 0.000 0.506 594 L N 2.943 123.935 121.223 -0.386 0.000 2.450 594 L HA -0.058 4.232 4.340 -0.084 0.000 0.224 594 L C 2.348 179.096 176.870 -0.202 0.000 1.149 594 L CA 0.742 55.400 54.840 -0.303 0.000 0.816 594 L CB -0.183 41.820 42.059 -0.093 0.000 0.932 594 L HN 0.423 nan 8.230 nan 0.000 0.449 595 G N 0.249 108.951 108.800 -0.165 0.000 2.402 595 G HA2 -0.250 3.660 3.960 -0.084 0.000 0.216 595 G HA3 -0.250 3.660 3.960 -0.084 0.000 0.216 595 G C 1.524 176.369 174.900 -0.091 0.000 1.162 595 G CA 1.036 46.084 45.100 -0.087 0.000 0.777 595 G HN 0.451 nan 8.290 nan 0.000 0.539 596 T N -0.238 114.230 114.554 -0.143 0.000 3.309 596 T HA 0.170 4.470 4.350 -0.084 0.000 0.265 596 T C 1.674 176.348 174.700 -0.043 0.000 1.194 596 T CA 0.640 62.688 62.100 -0.087 0.000 1.037 596 T CB -0.210 68.604 68.868 -0.090 0.000 0.917 596 T HN 0.223 nan 8.240 nan 0.000 0.558 597 L N -0.615 120.578 121.223 -0.050 0.000 2.919 597 L HA 0.376 4.665 4.340 -0.084 0.000 0.169 597 L C 1.106 177.974 176.870 -0.003 0.000 1.228 597 L CA 0.069 54.910 54.840 0.001 0.000 0.862 597 L CB -0.540 41.531 42.059 0.020 0.000 1.313 597 L HN 0.246 nan 8.230 nan 0.000 0.526 598 T N 0.043 114.589 114.554 -0.014 0.000 2.841 598 T HA 0.378 4.677 4.350 -0.084 0.000 0.285 598 T C -2.313 172.380 174.700 -0.012 0.000 0.991 598 T CA -1.681 60.413 62.100 -0.010 0.000 0.966 598 T CB 1.875 70.737 68.868 -0.010 0.000 0.962 598 T HN -0.191 nan 8.240 nan 0.000 0.438 599 P HA -0.045 nan 4.420 nan 0.000 0.224 599 P C 1.266 178.571 177.300 0.008 0.000 1.142 599 P CA 0.956 64.059 63.100 0.005 0.000 0.778 599 P CB 0.094 31.799 31.700 0.009 0.000 0.764 600 T N -1.000 113.550 114.554 -0.006 0.000 2.915 600 T HA -0.041 4.258 4.350 -0.084 0.000 0.269 600 T C 1.132 175.812 174.700 -0.033 0.000 1.071 600 T CA 0.982 63.071 62.100 -0.017 0.000 1.132 600 T CB -0.388 68.463 68.868 -0.027 0.000 0.878 600 T HN 0.180 nan 8.240 nan 0.000 0.479 601 L N 0.952 122.157 121.223 -0.030 0.000 3.017 601 L HA 0.369 4.658 4.340 -0.084 0.000 0.255 601 L C 0.023 176.896 176.870 0.005 0.000 1.247 601 L CA -0.471 54.342 54.840 -0.045 0.000 1.038 601 L CB 0.052 42.078 42.059 -0.056 0.000 1.380 601 L HN 0.045 nan 8.230 nan 0.000 0.548 602 D N 0.559 120.986 120.400 0.044 0.000 2.423 602 D HA 0.015 4.604 4.640 -0.084 0.000 0.238 602 D C 0.707 177.104 176.300 0.162 0.000 1.142 602 D CA 0.774 54.816 54.000 0.071 0.000 0.884 602 D CB 0.384 41.225 40.800 0.067 0.000 1.199 602 D HN 0.216 nan 8.370 nan 0.000 0.438 603 N N -0.128 118.648 118.700 0.126 0.000 2.778 603 N HA -0.188 4.501 4.740 -0.084 0.000 0.249 603 N C -1.145 174.536 175.510 0.284 0.000 1.069 603 N CA 0.354 53.505 53.050 0.168 0.000 0.831 603 N CB -0.598 37.980 38.487 0.152 0.000 1.142 603 N HN 0.058 nan 8.380 nan 0.000 0.573 604 V N 0.316 120.356 119.914 0.211 0.000 2.398 604 V HA 0.600 4.669 4.120 -0.084 0.000 0.286 604 V C 0.136 176.286 176.094 0.094 0.000 1.026 604 V CA -0.426 61.980 62.300 0.178 0.000 0.868 604 V CB 1.738 33.577 31.823 0.026 0.000 0.982 604 V HN 0.182 nan 8.190 nan 0.000 0.443 605 S N 5.444 121.226 115.700 0.136 0.000 2.521 605 S HA 0.756 5.175 4.470 -0.084 0.000 0.295 605 S C -0.974 173.728 174.600 0.169 0.000 1.098 605 S CA -0.553 57.724 58.200 0.129 0.000 0.999 605 S CB 1.354 64.646 63.200 0.153 0.000 1.034 605 S HN 0.696 nan 8.310 nan 0.000 0.483 606 I N 4.963 125.631 120.570 0.164 0.000 2.603 606 I HA 0.785 4.904 4.170 -0.084 0.000 0.300 606 I C -1.627 174.614 176.117 0.206 0.000 1.017 606 I CA -0.979 60.392 61.300 0.119 0.000 1.098 606 I CB 1.549 39.602 38.000 0.087 0.000 1.279 606 I HN 0.889 nan 8.210 nan 0.000 0.437 607 Y N 4.954 125.320 120.300 0.110 0.000 2.638 607 Y HA 0.918 5.417 4.550 -0.085 0.000 0.335 607 Y C -1.365 174.590 175.900 0.092 0.000 1.155 607 Y CA -0.918 57.242 58.100 0.100 0.000 1.046 607 Y CB 0.986 39.499 38.460 0.087 0.000 1.303 607 Y HN 0.714 nan 8.280 nan 0.000 0.460 608 A N 1.190 124.201 122.820 0.318 0.000 2.612 608 A HA 0.844 5.114 4.320 -0.084 0.000 0.293 608 A C -1.302 176.436 177.584 0.257 0.000 1.075 608 A CA -0.219 51.958 52.037 0.233 0.000 0.680 608 A CB 1.215 20.298 19.000 0.139 0.000 1.279 608 A HN 1.827 nan 8.150 nan 0.000 0.411 609 S N 0.092 115.928 115.700 0.227 0.000 2.536 609 S HA 0.790 5.209 4.470 -0.084 0.000 0.271 609 S C -1.258 173.480 174.600 0.230 0.000 1.134 609 S CA -0.558 57.749 58.200 0.178 0.000 0.897 609 S CB 1.503 64.760 63.200 0.095 0.000 1.094 609 S HN 2.044 nan 8.310 nan 0.000 0.473 610 Y N 1.230 121.585 120.300 0.091 0.000 2.552 610 Y HA 0.714 5.213 4.550 -0.084 0.000 0.337 610 Y C -1.637 174.339 175.900 0.126 0.000 1.094 610 Y CA -0.351 57.827 58.100 0.130 0.000 1.028 610 Y CB 1.629 40.218 38.460 0.215 0.000 1.321 610 Y HN 1.308 nan 8.280 nan 0.000 0.456 611 A N 4.677 126.971 122.820 -0.877 0.000 2.408 611 A HA 0.564 4.834 4.320 -0.084 0.000 0.295 611 A C -2.635 174.488 177.584 -0.768 0.000 1.040 611 A CA -0.564 51.102 52.037 -0.619 0.000 0.707 611 A CB 0.724 19.582 19.000 -0.235 0.000 1.235 611 A HN 0.786 nan 8.150 nan 0.000 0.418 612 Y N 2.708 122.671 120.300 -0.562 0.000 2.328 612 Y HA 0.619 5.118 4.550 -0.084 0.000 0.337 612 Y C -1.071 174.738 175.900 -0.151 0.000 1.008 612 Y CA -0.730 57.178 58.100 -0.319 0.000 1.129 612 Y CB 1.453 39.866 38.460 -0.079 0.000 1.185 612 Y HN 0.475 nan 8.280 nan 0.000 0.476 613 V N 6.339 125.774 119.914 -0.799 0.000 2.525 613 V HA 0.269 4.338 4.120 -0.084 0.000 0.299 613 V C -1.103 174.615 176.094 -0.626 0.000 1.034 613 V CA -0.977 61.055 62.300 -0.447 0.000 0.863 613 V CB 1.715 33.483 31.823 -0.092 0.000 0.999 613 V HN 0.766 nan 8.190 nan 0.000 0.423 614 N N 3.436 121.848 118.700 -0.480 0.000 2.626 614 N HA 0.644 5.333 4.740 -0.084 0.000 0.242 614 N C -0.391 175.010 175.510 -0.183 0.000 1.005 614 N CA -0.128 52.724 53.050 -0.330 0.000 0.905 614 N CB 1.453 39.802 38.487 -0.230 0.000 1.128 614 N HN 0.890 nan 8.380 nan 0.000 0.512 615 A N 3.313 126.025 122.820 -0.180 0.000 2.253 615 A HA 0.447 4.716 4.320 -0.084 0.000 0.316 615 A C -0.357 177.071 177.584 -0.260 0.000 1.327 615 A CA -0.637 51.221 52.037 -0.298 0.000 0.917 615 A CB 0.154 19.041 19.000 -0.188 0.000 1.162 615 A HN 0.718 nan 8.150 nan 0.000 0.535 616 E N 2.750 122.776 120.200 -0.290 0.000 2.227 616 E HA 0.628 4.928 4.350 -0.084 0.000 0.268 616 E C -1.133 175.336 176.600 -0.219 0.000 0.907 616 E CA -0.847 55.420 56.400 -0.223 0.000 0.786 616 E CB 1.674 31.256 29.700 -0.198 0.000 1.191 616 E HN 0.511 nan 8.360 nan 0.000 0.411 617 I N 2.353 122.797 120.570 -0.210 0.000 2.337 617 I HA 0.132 4.252 4.170 -0.084 0.000 0.291 617 I C 0.708 176.681 176.117 -0.240 0.000 1.046 617 I CA -0.493 60.702 61.300 -0.174 0.000 1.324 617 I CB 0.477 38.386 38.000 -0.152 0.000 1.409 617 I HN 0.344 nan 8.210 nan 0.000 0.494 618 R N 4.642 125.070 120.500 -0.120 0.000 2.586 618 R HA 0.149 4.438 4.340 -0.084 0.000 0.336 618 R C 0.044 176.482 176.300 0.230 0.000 1.060 618 R CA -0.153 55.926 56.100 -0.034 0.000 1.079 618 R CB -0.085 30.234 30.300 0.031 0.000 1.317 618 R HN 0.602 nan 8.270 nan 0.000 0.568 619 E N 1.937 122.232 120.200 0.158 0.000 2.194 619 E HA 0.097 4.397 4.350 -0.084 0.000 0.284 619 E C -0.663 176.077 176.600 0.234 0.000 1.035 619 E CA -0.392 56.093 56.400 0.141 0.000 0.836 619 E CB 0.714 30.436 29.700 0.036 0.000 1.070 619 E HN -0.095 nan 8.360 nan 0.000 0.401 620 K N 2.997 123.460 120.400 0.105 0.000 2.484 620 K HA 0.308 4.577 4.320 -0.084 0.000 0.280 620 K C 0.238 176.841 176.600 0.004 0.000 1.013 620 K CA 0.735 56.996 56.287 -0.043 0.000 1.029 620 K CB 0.845 33.260 32.500 -0.142 0.000 0.902 620 K HN 0.789 nan 8.250 nan 0.000 0.481 621 G N 2.021 110.829 108.800 0.013 0.000 2.339 621 G HA2 -0.155 3.755 3.960 -0.084 0.000 0.275 621 G HA3 -0.155 3.755 3.960 -0.084 0.000 0.275 621 G C -0.407 174.513 174.900 0.034 0.000 1.323 621 G CA -0.208 44.900 45.100 0.013 0.000 0.927 621 G HN 0.609 nan 8.290 nan 0.000 0.486 622 D N -0.857 119.550 120.400 0.013 0.000 2.309 622 D HA -0.036 4.554 4.640 -0.084 0.000 0.212 622 D C 1.809 178.106 176.300 -0.005 0.000 0.968 622 D CA 2.365 56.367 54.000 0.003 0.000 0.882 622 D CB -0.237 40.558 40.800 -0.008 0.000 0.918 622 D HN 0.893 nan 8.370 nan 0.000 0.503 623 T N -4.749 109.807 114.554 0.002 0.000 3.132 623 T HA 0.099 4.399 4.350 -0.084 0.000 0.274 623 T C 0.165 174.850 174.700 -0.024 0.000 1.011 623 T CA -0.864 61.212 62.100 -0.040 0.000 0.899 623 T CB -0.932 67.891 68.868 -0.075 0.000 1.089 623 T HN 0.146 nan 8.240 nan 0.000 0.543 624 Y N 2.497 122.755 120.300 -0.070 0.000 2.721 624 Y HA 0.351 4.851 4.550 -0.084 0.000 0.329 624 Y C 1.496 177.356 175.900 -0.067 0.000 1.211 624 Y CA 1.221 59.284 58.100 -0.062 0.000 1.512 624 Y CB -0.167 38.265 38.460 -0.048 0.000 1.249 624 Y HN 0.471 nan 8.280 nan 0.000 0.549 625 G N 3.290 111.663 108.800 -0.712 0.000 2.195 625 G HA2 -0.316 3.593 3.960 -0.084 0.000 0.246 625 G HA3 -0.316 3.593 3.960 -0.084 0.000 0.246 625 G C 0.126 174.860 174.900 -0.277 0.000 0.984 625 G CA 0.070 44.878 45.100 -0.486 0.000 0.633 625 G HN 0.651 nan 8.290 nan 0.000 0.525 626 N N 0.016 118.565 118.700 -0.250 0.000 2.408 626 N HA 0.619 5.308 4.740 -0.084 0.000 0.260 626 N C 0.659 176.038 175.510 -0.217 0.000 1.242 626 N CA -0.317 52.587 53.050 -0.244 0.000 0.959 626 N CB 0.480 38.808 38.487 -0.266 0.000 1.201 626 N HN 0.314 nan 8.380 nan 0.000 0.511 627 L N 0.505 121.609 121.223 -0.199 0.000 2.350 627 L HA 0.311 4.600 4.340 -0.084 0.000 0.275 627 L C 0.499 177.307 176.870 -0.104 0.000 1.099 627 L CA -0.901 53.881 54.840 -0.098 0.000 0.808 627 L CB 1.113 43.215 42.059 0.072 0.000 1.149 627 L HN 0.140 nan 8.230 nan 0.000 0.442 628 V N 4.914 124.773 119.914 -0.093 0.000 2.655 628 V HA 0.109 4.178 4.120 -0.084 0.000 0.300 628 V C -1.840 174.220 176.094 -0.058 0.000 1.044 628 V CA -1.128 61.130 62.300 -0.070 0.000 1.095 628 V CB 1.191 32.996 31.823 -0.030 0.000 0.952 628 V HN 0.595 nan 8.190 nan 0.000 0.485 629 P HA 0.226 nan 4.420 nan 0.000 0.269 629 P C -0.427 176.759 177.300 -0.190 0.000 1.215 629 P CA 0.076 62.972 63.100 -0.339 0.000 0.780 629 P CB 0.053 31.409 31.700 -0.573 0.000 0.898 630 F N -1.241 118.738 119.950 0.047 0.000 3.074 630 F HA -0.193 4.284 4.527 -0.084 0.000 0.287 630 F C 0.398 176.203 175.800 0.008 0.000 0.932 630 F CA 0.871 58.886 58.000 0.025 0.000 0.995 630 F CB -2.653 36.362 39.000 0.024 0.000 0.966 630 F HN 0.191 nan 8.300 nan 0.000 0.721 631 S N 0.414 116.166 115.700 0.086 0.000 2.524 631 S HA 0.629 5.048 4.470 -0.084 0.000 0.227 631 S C -2.518 172.061 174.600 -0.034 0.000 1.304 631 S CA -1.353 56.869 58.200 0.035 0.000 1.185 631 S CB 0.968 64.186 63.200 0.029 0.000 1.104 631 S HN -0.076 nan 8.310 nan 0.000 0.475 632 P HA 0.237 nan 4.420 nan 0.000 0.267 632 P C 0.337 177.548 177.300 -0.148 0.000 1.205 632 P CA -0.248 62.798 63.100 -0.091 0.000 0.765 632 P CB 0.562 32.200 31.700 -0.103 0.000 0.828 633 K N 1.310 121.599 120.400 -0.185 0.000 2.148 633 K HA -0.061 4.209 4.320 -0.084 0.000 0.204 633 K C 0.471 176.740 176.600 -0.551 0.000 1.050 633 K CA 1.012 57.041 56.287 -0.428 0.000 0.942 633 K CB -0.061 32.205 32.500 -0.390 0.000 0.724 633 K HN 0.640 nan 8.250 nan 0.000 0.446 634 H N 0.262 119.360 119.070 0.046 0.000 2.529 634 H HA 0.381 4.887 4.556 -0.085 0.000 0.348 634 H C -0.909 174.479 175.328 0.100 0.000 1.079 634 H CA -0.542 55.623 56.048 0.196 0.000 1.198 634 H CB 1.938 31.921 29.762 0.368 0.000 1.521 634 H HN -0.097 nan 8.280 nan 0.000 0.514 635 K N 1.846 122.316 120.400 0.116 0.000 2.557 635 K HA 0.530 4.799 4.320 -0.084 0.000 0.257 635 K C -1.226 175.183 176.600 -0.320 0.000 0.933 635 K CA -0.564 55.626 56.287 -0.161 0.000 0.820 635 K CB 2.410 34.787 32.500 -0.205 0.000 1.330 635 K HN 0.887 nan 8.250 nan 0.000 0.432 636 G N 0.615 108.845 108.800 -0.951 0.000 2.489 636 G HA2 0.520 4.430 3.960 -0.084 0.000 0.305 636 G HA3 0.520 4.430 3.960 -0.084 0.000 0.305 636 G C -1.391 172.918 174.900 -0.985 0.000 1.311 636 G CA -0.321 44.327 45.100 -0.753 0.000 0.813 636 G HN 0.669 nan 8.290 nan 0.000 0.480 637 T N -2.277 112.083 114.554 -0.323 0.000 2.883 637 T HA 0.805 5.104 4.350 -0.084 0.000 0.301 637 T C -1.127 173.635 174.700 0.102 0.000 1.158 637 T CA -0.616 61.416 62.100 -0.114 0.000 1.007 637 T CB 1.791 70.668 68.868 0.014 0.000 1.186 637 T HN 1.886 nan 8.240 nan 0.000 0.499 638 L N -1.513 119.718 121.223 0.015 0.000 2.466 638 L HA 1.062 5.352 4.340 -0.084 0.000 0.258 638 L C -0.296 176.341 176.870 -0.387 0.000 0.973 638 L CA -0.646 54.116 54.840 -0.131 0.000 0.826 638 L CB 1.591 43.627 42.059 -0.038 0.000 1.372 638 L HN 1.328 nan 8.230 nan 0.000 0.409 639 G N -0.270 108.011 108.800 -0.864 0.000 2.506 639 G HA2 0.630 4.539 3.960 -0.084 0.000 0.292 639 G HA3 0.630 4.539 3.960 -0.084 0.000 0.292 639 G C -2.234 172.256 174.900 -0.683 0.000 1.425 639 G CA -0.206 44.427 45.100 -0.778 0.000 0.788 639 G HN 1.296 nan 8.290 nan 0.000 0.490 640 V N 0.004 119.824 119.914 -0.156 0.000 2.808 640 V HA 0.723 4.792 4.120 -0.084 0.000 0.308 640 V C -1.779 174.446 176.094 0.219 0.000 1.099 640 V CA -0.869 61.457 62.300 0.043 0.000 0.920 640 V CB 2.197 34.054 31.823 0.057 0.000 1.014 640 V HN 0.731 nan 8.190 nan 0.000 0.425 641 D N 5.091 125.659 120.400 0.280 0.000 2.375 641 D HA 0.365 4.955 4.640 -0.084 0.000 0.247 641 D C -1.715 174.791 176.300 0.342 0.000 1.061 641 D CA 0.023 54.208 54.000 0.307 0.000 0.834 641 D CB 2.218 43.183 40.800 0.274 0.000 1.247 641 D HN 0.576 nan 8.370 nan 0.000 0.489 642 Y N 1.448 121.884 120.300 0.226 0.000 2.326 642 Y HA 0.290 4.789 4.550 -0.085 0.000 0.329 642 Y C -0.701 175.369 175.900 0.283 0.000 0.973 642 Y CA -0.935 57.305 58.100 0.233 0.000 1.162 642 Y CB 1.144 39.748 38.460 0.240 0.000 1.147 642 Y HN 0.130 nan 8.280 nan 0.000 0.456 643 K N 8.382 128.796 120.400 0.024 0.000 2.800 643 K HA 0.283 4.552 4.320 -0.084 0.000 0.185 643 K C -2.875 173.629 176.600 -0.159 0.000 1.082 643 K CA -1.715 54.523 56.287 -0.082 0.000 0.978 643 K CB 0.855 33.351 32.500 -0.007 0.000 1.364 643 K HN 0.407 nan 8.250 nan 0.000 0.592 644 P HA 0.042 nan 4.420 nan 0.000 0.282 644 P C 0.751 178.084 177.300 0.055 0.000 1.262 644 P CA 0.650 63.654 63.100 -0.161 0.000 0.773 644 P CB 1.454 32.976 31.700 -0.296 0.000 0.879 645 G N 5.412 114.240 108.800 0.048 0.000 2.660 645 G HA2 -0.358 3.551 3.960 -0.084 0.000 0.321 645 G HA3 -0.358 3.551 3.960 -0.084 0.000 0.321 645 G C 0.873 175.740 174.900 -0.055 0.000 1.246 645 G CA 0.315 45.444 45.100 0.049 0.000 1.000 645 G HN 0.587 nan 8.290 nan 0.000 0.550 646 N N 0.752 119.363 118.700 -0.148 0.000 2.280 646 N HA 0.134 4.823 4.740 -0.084 0.000 0.192 646 N C 0.175 175.303 175.510 -0.636 0.000 1.109 646 N CA 0.339 53.070 53.050 -0.531 0.000 0.855 646 N CB 0.187 38.076 38.487 -0.996 0.000 0.974 646 N HN 0.460 nan 8.380 nan 0.000 0.482 647 W N 0.843 122.004 121.300 -0.233 0.000 2.332 647 W HA 0.375 4.984 4.660 -0.085 0.000 0.351 647 W C 0.257 176.543 176.519 -0.387 0.000 1.195 647 W CA -0.133 57.040 57.345 -0.286 0.000 1.334 647 W CB 0.873 30.172 29.460 -0.268 0.000 1.206 647 W HN -0.345 nan 8.180 nan 0.000 0.637 648 T N 2.186 116.580 114.554 -0.266 0.000 3.109 648 T HA 0.411 4.711 4.350 -0.084 0.000 0.311 648 T C -1.615 172.871 174.700 -0.356 0.000 1.011 648 T CA -0.682 61.293 62.100 -0.208 0.000 1.026 648 T CB 0.322 69.128 68.868 -0.103 0.000 1.047 648 T HN 0.006 nan 8.240 nan 0.000 0.448 649 F N 2.566 122.615 119.950 0.165 0.000 2.477 649 F HA 0.525 5.001 4.527 -0.085 0.000 0.335 649 F C 0.461 176.380 175.800 0.199 0.000 1.130 649 F CA -0.884 57.231 58.000 0.193 0.000 0.948 649 F CB 1.462 40.599 39.000 0.228 0.000 1.154 649 F HN 0.413 nan 8.300 nan 0.000 0.439 650 N N 3.117 122.011 118.700 0.323 0.000 2.321 650 N HA 0.729 5.419 4.740 -0.084 0.000 0.299 650 N C -1.867 173.801 175.510 0.263 0.000 1.048 650 N CA -0.777 52.441 53.050 0.280 0.000 0.836 650 N CB 2.486 41.113 38.487 0.234 0.000 1.269 650 N HN 0.414 nan 8.380 nan 0.000 0.486 651 L N 1.938 123.314 121.223 0.254 0.000 2.431 651 L HA 0.641 4.930 4.340 -0.084 0.000 0.266 651 L C -1.632 175.376 176.870 0.229 0.000 0.978 651 L CA -0.389 54.603 54.840 0.253 0.000 0.822 651 L CB 1.705 43.912 42.059 0.246 0.000 1.310 651 L HN 0.893 nan 8.230 nan 0.000 0.409 652 N N 1.568 120.413 118.700 0.243 0.000 2.484 652 N HA 0.718 5.407 4.740 -0.084 0.000 0.269 652 N C -1.854 173.625 175.510 -0.051 0.000 1.237 652 N CA -0.715 52.399 53.050 0.106 0.000 0.838 652 N CB 2.006 40.599 38.487 0.178 0.000 1.593 652 N HN 0.467 nan 8.380 nan 0.000 0.485 653 S N 0.098 115.606 115.700 -0.319 0.000 2.536 653 S HA 0.540 4.959 4.470 -0.084 0.000 0.287 653 S C -2.028 172.398 174.600 -0.289 0.000 1.101 653 S CA -0.607 57.205 58.200 -0.647 0.000 0.950 653 S CB 1.045 63.364 63.200 -1.469 0.000 1.056 653 S HN 0.626 nan 8.310 nan 0.000 0.481 654 D N 2.129 122.394 120.400 -0.225 0.000 2.649 654 D HA 0.696 5.285 4.640 -0.084 0.000 0.249 654 D C -1.197 175.020 176.300 -0.138 0.000 1.112 654 D CA -0.216 53.658 54.000 -0.210 0.000 0.850 654 D CB 1.136 41.867 40.800 -0.115 0.000 1.399 654 D HN 0.410 nan 8.370 nan 0.000 0.503 655 F N 0.532 120.370 119.950 -0.188 0.000 2.645 655 F HA 0.695 5.172 4.527 -0.084 0.000 0.310 655 F C -1.332 174.279 175.800 -0.315 0.000 1.102 655 F CA -0.989 56.858 58.000 -0.256 0.000 0.952 655 F CB 1.200 40.091 39.000 -0.182 0.000 1.326 655 F HN 0.284 nan 8.300 nan 0.000 0.456 656 Q N 0.788 120.412 119.800 -0.294 0.000 2.527 656 Q HA 0.604 4.893 4.340 -0.084 0.000 0.280 656 Q C -1.651 174.188 176.000 -0.268 0.000 0.977 656 Q CA -0.914 54.712 55.803 -0.296 0.000 0.837 656 Q CB 1.977 30.406 28.738 -0.515 0.000 1.454 656 Q HN 0.980 nan 8.270 nan 0.000 0.387 657 S N 0.870 116.528 115.700 -0.070 0.000 2.671 657 S HA 0.591 5.010 4.470 -0.084 0.000 0.272 657 S C 0.507 175.040 174.600 -0.111 0.000 1.174 657 S CA -0.053 58.127 58.200 -0.035 0.000 1.004 657 S CB 0.909 64.197 63.200 0.145 0.000 1.077 657 S HN 0.976 nan 8.310 nan 0.000 0.553 658 S N -0.138 115.504 115.700 -0.098 0.000 2.598 658 S HA 0.356 4.775 4.470 -0.084 0.000 0.256 658 S C -0.230 174.253 174.600 -0.197 0.000 1.350 658 S CA -0.427 57.677 58.200 -0.159 0.000 0.984 658 S CB -0.418 62.658 63.200 -0.207 0.000 0.930 658 S HN 1.050 nan 8.310 nan 0.000 0.577 659 Q N -0.715 118.921 119.800 -0.274 0.000 2.575 659 Q HA 0.589 4.879 4.340 -0.084 0.000 0.290 659 Q C -1.933 173.819 176.000 -0.413 0.000 0.963 659 Q CA -0.922 54.722 55.803 -0.265 0.000 0.783 659 Q CB 0.570 29.265 28.738 -0.072 0.000 1.467 659 Q HN 0.554 nan 8.270 nan 0.000 0.402 660 F N 0.058 119.895 119.950 -0.189 0.000 2.440 660 F HA 0.687 5.163 4.527 -0.085 0.000 0.328 660 F C 0.900 176.382 175.800 -0.531 0.000 1.070 660 F CA -0.031 57.813 58.000 -0.260 0.000 1.011 660 F CB 1.868 40.724 39.000 -0.241 0.000 1.226 660 F HN 0.896 nan 8.300 nan 0.000 0.491 661 A N -0.003 122.661 122.820 -0.260 0.000 2.063 661 A HA 0.168 4.437 4.320 -0.084 0.000 0.211 661 A C -0.069 177.120 177.584 -0.660 0.000 1.177 661 A CA 0.535 52.243 52.037 -0.549 0.000 0.759 661 A CB -0.397 18.588 19.000 -0.026 0.000 0.857 661 A HN 0.682 nan 8.150 nan 0.000 0.468 662 D N -2.474 117.588 120.400 -0.563 0.000 2.523 662 D HA 0.184 4.773 4.640 -0.084 0.000 0.236 662 D C -0.252 175.788 176.300 -0.433 0.000 1.094 662 D CA -0.835 52.724 54.000 -0.734 0.000 0.942 662 D CB 0.262 40.449 40.800 -1.022 0.000 1.447 662 D HN -0.135 nan 8.370 nan 0.000 0.479 663 N N 0.065 118.561 118.700 -0.340 0.000 2.289 663 N HA -0.091 4.599 4.740 -0.084 0.000 0.184 663 N C 1.518 176.877 175.510 -0.252 0.000 1.016 663 N CA 1.282 54.192 53.050 -0.233 0.000 0.872 663 N CB -0.269 38.135 38.487 -0.138 0.000 0.973 663 N HN 0.641 nan 8.380 nan 0.000 0.433 664 A N 0.662 123.331 122.820 -0.253 0.000 2.168 664 A HA -0.029 4.240 4.320 -0.084 0.000 0.215 664 A C 0.468 177.848 177.584 -0.340 0.000 1.152 664 A CA 0.201 52.103 52.037 -0.225 0.000 0.716 664 A CB -0.610 18.301 19.000 -0.149 0.000 0.794 664 A HN 0.483 nan 8.150 nan 0.000 0.465 665 N N -0.030 118.382 118.700 -0.479 0.000 2.738 665 N HA -0.118 4.572 4.740 -0.084 0.000 0.249 665 N C -0.885 174.307 175.510 -0.531 0.000 1.047 665 N CA 0.412 52.889 53.050 -0.955 0.000 0.707 665 N CB -1.426 36.199 38.487 -1.437 0.000 0.937 665 N HN 0.440 nan 8.380 nan 0.000 0.545 666 T N -0.010 114.443 114.554 -0.169 0.000 2.817 666 T HA 0.129 4.429 4.350 -0.084 0.000 0.295 666 T C 1.741 176.541 174.700 0.167 0.000 0.958 666 T CA -0.455 61.639 62.100 -0.010 0.000 1.157 666 T CB 1.926 70.798 68.868 0.007 0.000 0.898 666 T HN 0.027 nan 8.240 nan 0.000 0.536 667 V N 2.314 122.333 119.914 0.176 0.000 2.346 667 V HA 0.010 4.079 4.120 -0.084 0.000 0.244 667 V C 1.370 177.548 176.094 0.140 0.000 1.037 667 V CA 1.219 63.657 62.300 0.229 0.000 1.029 667 V CB -0.205 31.725 31.823 0.179 0.000 0.663 667 V HN 0.598 nan 8.190 nan 0.000 0.454 668 K N 1.521 121.981 120.400 0.100 0.000 2.412 668 K HA 0.086 4.356 4.320 -0.084 0.000 0.281 668 K C 0.186 176.836 176.600 0.083 0.000 1.027 668 K CA 0.260 56.594 56.287 0.079 0.000 0.989 668 K CB 0.265 32.800 32.500 0.059 0.000 0.935 668 K HN 0.417 nan 8.250 nan 0.000 0.475 669 E N 2.054 122.299 120.200 0.076 0.000 2.316 669 E HA 0.074 4.373 4.350 -0.084 0.000 0.275 669 E C -0.624 176.009 176.600 0.055 0.000 1.029 669 E CA -0.364 56.078 56.400 0.070 0.000 0.871 669 E CB 0.585 30.312 29.700 0.045 0.000 1.022 669 E HN 0.687 nan 8.360 nan 0.000 0.418 670 S N 2.967 118.708 115.700 0.067 0.000 2.614 670 S HA 0.278 4.698 4.470 -0.084 0.000 0.265 670 S C 1.072 175.692 174.600 0.033 0.000 1.303 670 S CA -0.220 58.016 58.200 0.059 0.000 1.000 670 S CB 1.664 64.916 63.200 0.086 0.000 0.935 670 S HN 0.640 nan 8.310 nan 0.000 0.551 671 A N 1.125 123.961 122.820 0.027 0.000 1.969 671 A HA -0.087 4.183 4.320 -0.084 0.000 0.218 671 A C 1.687 179.274 177.584 0.006 0.000 1.169 671 A CA 1.503 53.547 52.037 0.012 0.000 0.635 671 A CB -0.986 18.022 19.000 0.014 0.000 0.810 671 A HN 0.964 nan 8.150 nan 0.000 0.445 672 D N -1.713 118.697 120.400 0.017 0.000 2.349 672 D HA 0.209 4.799 4.640 -0.084 0.000 0.224 672 D C 1.230 177.536 176.300 0.010 0.000 1.029 672 D CA 0.911 54.919 54.000 0.013 0.000 0.879 672 D CB -0.795 40.017 40.800 0.020 0.000 0.906 672 D HN 0.723 nan 8.370 nan 0.000 0.528 673 G N 0.403 109.205 108.800 0.004 0.000 2.196 673 G HA2 -0.402 3.507 3.960 -0.084 0.000 0.268 673 G HA3 -0.402 3.507 3.960 -0.084 0.000 0.268 673 G C 1.226 176.168 174.900 0.070 0.000 0.975 673 G CA 1.188 46.275 45.100 -0.022 0.000 0.648 673 G HN 0.684 nan 8.290 nan 0.000 0.538 674 S N -1.046 114.729 115.700 0.125 0.000 2.428 674 S HA 0.268 4.688 4.470 -0.084 0.000 0.230 674 S C 1.180 175.995 174.600 0.358 0.000 1.014 674 S CA 1.714 60.050 58.200 0.227 0.000 0.957 674 S CB 0.041 63.332 63.200 0.151 0.000 0.784 674 S HN 1.897 nan 8.310 nan 0.000 0.499 675 T N -1.698 113.024 114.554 0.280 0.000 2.907 675 T HA 0.682 4.981 4.350 -0.084 0.000 0.292 675 T C -0.167 174.630 174.700 0.161 0.000 1.043 675 T CA -0.023 62.223 62.100 0.243 0.000 1.003 675 T CB 1.518 70.532 68.868 0.244 0.000 1.084 675 T HN 1.377 nan 8.240 nan 0.000 0.483 676 G N 1.296 110.181 108.800 0.142 0.000 2.335 676 G HA2 0.215 4.124 3.960 -0.084 0.000 0.592 676 G HA3 0.215 4.124 3.960 -0.084 0.000 0.592 676 G C -0.842 174.149 174.900 0.151 0.000 1.442 676 G CA -0.849 44.342 45.100 0.151 0.000 0.976 676 G HN 0.940 nan 8.290 nan 0.000 0.652 677 R N -0.029 120.540 120.500 0.114 0.000 2.583 677 R HA 0.260 4.549 4.340 -0.084 0.000 0.274 677 R C -0.013 176.284 176.300 -0.005 0.000 0.998 677 R CA 0.329 56.394 56.100 -0.058 0.000 1.081 677 R CB 0.007 30.256 30.300 -0.085 0.000 0.940 677 R HN 0.410 nan 8.270 nan 0.000 0.413 678 I N 7.949 128.446 120.570 -0.121 0.000 2.354 678 I HA 0.279 4.398 4.170 -0.084 0.000 0.286 678 I C -2.030 173.974 176.117 -0.188 0.000 1.007 678 I CA -2.733 58.486 61.300 -0.135 0.000 1.167 678 I CB 1.861 39.834 38.000 -0.046 0.000 1.320 678 I HN 0.510 nan 8.210 nan 0.000 0.458 679 P HA 0.003 nan 4.420 nan 0.000 0.267 679 P C 0.324 177.621 177.300 -0.005 0.000 1.201 679 P CA 0.042 63.087 63.100 -0.092 0.000 0.775 679 P CB 0.597 32.266 31.700 -0.052 0.000 0.854 680 G N 0.972 109.759 108.800 -0.021 0.000 2.543 680 G HA2 0.651 4.560 3.960 -0.084 0.000 0.290 680 G HA3 0.651 4.560 3.960 -0.084 0.000 0.290 680 G C -1.059 173.857 174.900 0.026 0.000 1.310 680 G CA -0.420 44.606 45.100 -0.123 0.000 1.025 680 G HN 0.533 nan 8.290 nan 0.000 0.502 681 F N -3.439 116.480 119.950 -0.052 0.000 2.770 681 F HA 0.657 5.134 4.527 -0.082 0.000 0.313 681 F C -0.900 174.881 175.800 -0.032 0.000 1.154 681 F CA -1.566 56.393 58.000 -0.069 0.000 0.923 681 F CB 2.000 40.883 39.000 -0.195 0.000 1.301 681 F HN 0.588 nan 8.300 nan 0.000 0.449 682 M N 3.314 123.050 119.600 0.227 0.000 2.151 682 M HA 0.669 5.099 4.480 -0.084 0.000 0.290 682 M C -2.309 174.118 176.300 0.211 0.000 0.965 682 M CA -0.611 54.793 55.300 0.173 0.000 0.930 682 M CB 1.330 34.010 32.600 0.133 0.000 1.560 682 M HN 0.634 nan 8.290 nan 0.000 0.438 683 L N 4.499 125.794 121.223 0.119 0.000 2.334 683 L HA 0.709 4.998 4.340 -0.084 0.000 0.270 683 L C -1.397 175.491 176.870 0.031 0.000 1.018 683 L CA -0.125 54.811 54.840 0.160 0.000 0.811 683 L CB 1.623 43.736 42.059 0.089 0.000 1.271 683 L HN 0.743 nan 8.230 nan 0.000 0.443 684 W N 0.054 121.482 121.300 0.213 0.000 2.936 684 W HA 0.724 5.333 4.660 -0.085 0.000 0.338 684 W C 0.127 176.690 176.519 0.073 0.000 1.121 684 W CA -0.556 56.895 57.345 0.177 0.000 1.209 684 W CB 2.316 31.948 29.460 0.286 0.000 1.420 684 W HN 0.607 nan 8.180 nan 0.000 0.516 685 G N 0.256 109.238 108.800 0.305 0.000 2.660 685 G HA2 0.878 4.788 3.960 -0.084 0.000 0.294 685 G HA3 0.878 4.788 3.960 -0.084 0.000 0.294 685 G C -1.918 173.101 174.900 0.199 0.000 1.369 685 G CA -0.612 44.603 45.100 0.193 0.000 0.912 685 G HN 0.783 nan 8.290 nan 0.000 0.479 686 A N 0.385 123.283 122.820 0.130 0.000 2.594 686 A HA 0.978 5.247 4.320 -0.084 0.000 0.291 686 A C -0.738 176.887 177.584 0.069 0.000 1.105 686 A CA -0.742 51.374 52.037 0.132 0.000 0.694 686 A CB 2.232 21.298 19.000 0.110 0.000 1.291 686 A HN 1.002 nan 8.150 nan 0.000 0.410 687 R N -0.093 120.475 120.500 0.114 0.000 2.594 687 R HA 0.573 4.863 4.340 -0.084 0.000 0.265 687 R C -2.509 173.876 176.300 0.140 0.000 1.070 687 R CA -0.382 55.754 56.100 0.059 0.000 0.909 687 R CB 2.078 32.457 30.300 0.131 0.000 1.243 687 R HN 1.032 nan 8.270 nan 0.000 0.455 688 V N 3.013 123.007 119.914 0.132 0.000 2.540 688 V HA 0.936 5.006 4.120 -0.084 0.000 0.302 688 V C -1.195 174.956 176.094 0.096 0.000 1.035 688 V CA -0.084 62.294 62.300 0.129 0.000 0.873 688 V CB 1.535 33.524 31.823 0.276 0.000 0.992 688 V HN 0.951 nan 8.190 nan 0.000 0.428 689 A N 5.465 128.284 122.820 -0.001 0.000 2.527 689 A HA 0.909 5.178 4.320 -0.084 0.000 0.293 689 A C -2.071 175.459 177.584 -0.090 0.000 1.117 689 A CA -0.601 51.437 52.037 0.001 0.000 0.723 689 A CB 1.949 20.940 19.000 -0.015 0.000 1.313 689 A HN 1.286 nan 8.150 nan 0.000 0.411 690 Y N 0.392 120.476 120.300 -0.361 0.000 2.470 690 Y HA 0.537 5.037 4.550 -0.085 0.000 0.341 690 Y C -1.424 174.114 175.900 -0.602 0.000 1.021 690 Y CA -0.810 56.850 58.100 -0.733 0.000 1.025 690 Y CB 1.978 39.723 38.460 -1.191 0.000 1.266 690 Y HN 0.755 nan 8.280 nan 0.000 0.448 691 D N 3.914 123.646 120.400 -1.114 0.000 2.303 691 D HA 0.240 4.829 4.640 -0.084 0.000 0.236 691 D C -0.250 175.490 176.300 -0.933 0.000 1.068 691 D CA -0.180 53.406 54.000 -0.691 0.000 0.830 691 D CB 0.648 41.174 40.800 -0.457 0.000 1.109 691 D HN 0.427 nan 8.370 nan 0.000 0.496 692 F N 2.570 122.319 119.950 -0.335 0.000 2.416 692 F HA 0.326 4.802 4.527 -0.085 0.000 0.296 692 F C 1.820 177.540 175.800 -0.134 0.000 1.099 692 F CA 1.079 58.977 58.000 -0.170 0.000 1.427 692 F CB -0.059 38.941 39.000 -0.000 0.000 1.079 692 F HN 0.636 nan 8.300 nan 0.000 0.536 693 G N -0.377 108.438 108.800 0.024 0.000 2.462 693 G HA2 -0.070 3.840 3.960 -0.084 0.000 0.685 693 G HA3 -0.070 3.840 3.960 -0.084 0.000 0.685 693 G C -3.047 171.875 174.900 0.036 0.000 1.295 693 G CA -1.397 43.704 45.100 0.001 0.000 0.941 693 G HN -0.174 nan 8.290 nan 0.000 0.554 694 P HA 0.554 nan 4.420 nan 0.000 0.268 694 P C 0.534 177.861 177.300 0.046 0.000 1.541 694 P CA 1.734 64.855 63.100 0.035 0.000 1.093 694 P CB 0.512 32.224 31.700 0.021 0.000 1.551 695 Q N 0.860 120.696 119.800 0.060 0.000 1.733 695 Q HA 0.179 4.468 4.340 -0.084 0.000 0.148 695 Q C 1.331 177.369 176.000 0.062 0.000 0.586 695 Q CA 0.546 56.380 55.803 0.053 0.000 0.906 695 Q CB -0.935 27.830 28.738 0.044 0.000 0.999 695 Q HN 0.273 nan 8.270 nan 0.000 0.234 696 M N 0.731 120.369 119.600 0.063 0.000 2.729 696 M HA 0.840 5.269 4.480 -0.084 0.000 0.229 696 M C 1.281 177.649 176.300 0.113 0.000 1.280 696 M CA 0.740 56.076 55.300 0.060 0.000 1.012 696 M CB -1.431 31.173 32.600 0.007 0.000 1.603 696 M HN 2.384 nan 8.290 nan 0.000 0.452 697 A N 0.940 123.849 122.820 0.148 0.000 2.183 697 A HA 0.010 4.279 4.320 -0.084 0.000 0.278 697 A C 0.423 178.062 177.584 0.091 0.000 1.404 697 A CA 0.647 52.804 52.037 0.200 0.000 0.737 697 A CB -2.613 16.694 19.000 0.511 0.000 1.172 697 A HN 1.495 nan 8.150 nan 0.000 0.338 698 D N -1.598 118.837 120.400 0.057 0.000 2.713 698 D HA -0.184 4.406 4.640 -0.084 0.000 0.231 698 D C 0.327 176.646 176.300 0.031 0.000 1.173 698 D CA 1.402 55.413 54.000 0.020 0.000 0.628 698 D CB -0.696 40.088 40.800 -0.027 0.000 1.033 698 D HN 0.887 nan 8.370 nan 0.000 0.419 699 L N 0.714 121.987 121.223 0.084 0.000 2.499 699 L HA 0.121 4.410 4.340 -0.084 0.000 0.273 699 L C 0.204 177.221 176.870 0.245 0.000 1.195 699 L CA 0.992 55.891 54.840 0.098 0.000 0.882 699 L CB 0.252 42.294 42.059 -0.029 0.000 1.133 699 L HN 0.106 nan 8.230 nan 0.000 0.483 700 N N 6.036 124.826 118.700 0.151 0.000 2.314 700 N HA 0.509 5.198 4.740 -0.084 0.000 0.294 700 N C -1.116 174.495 175.510 0.168 0.000 1.029 700 N CA -0.470 52.660 53.050 0.132 0.000 0.845 700 N CB 2.712 41.210 38.487 0.018 0.000 1.321 700 N HN 0.575 nan 8.380 nan 0.000 0.481 701 L N 1.323 122.673 121.223 0.213 0.000 2.388 701 L HA 0.857 5.147 4.340 -0.084 0.000 0.264 701 L C -0.891 176.068 176.870 0.149 0.000 0.998 701 L CA -0.568 54.397 54.840 0.208 0.000 0.817 701 L CB 1.969 44.225 42.059 0.328 0.000 1.338 701 L HN 0.652 nan 8.230 nan 0.000 0.414 702 A N 2.494 125.409 122.820 0.158 0.000 2.604 702 A HA 0.726 4.996 4.320 -0.084 0.000 0.295 702 A C -2.107 175.591 177.584 0.190 0.000 1.067 702 A CA -0.379 51.752 52.037 0.157 0.000 0.683 702 A CB 1.608 20.688 19.000 0.133 0.000 1.281 702 A HN 0.492 nan 8.150 nan 0.000 0.407 703 F N 1.023 120.963 119.950 -0.017 0.000 2.556 703 F HA 0.792 5.268 4.527 -0.085 0.000 0.314 703 F C 0.137 175.743 175.800 -0.322 0.000 1.106 703 F CA 0.227 58.142 58.000 -0.142 0.000 0.911 703 F CB 2.026 40.986 39.000 -0.067 0.000 1.190 703 F HN 1.082 nan 8.300 nan 0.000 0.448 704 G N 3.049 110.751 108.800 -1.830 0.000 2.708 704 G HA2 0.646 4.555 3.960 -0.084 0.000 0.289 704 G HA3 0.646 4.555 3.960 -0.084 0.000 0.289 704 G C -2.451 171.492 174.900 -1.596 0.000 1.416 704 G CA -0.915 43.180 45.100 -1.675 0.000 0.829 704 G HN 0.677 nan 8.290 nan 0.000 0.480 705 V N 0.245 119.762 119.914 -0.662 0.000 2.760 705 V HA 0.520 4.590 4.120 -0.084 0.000 0.309 705 V C -0.482 175.638 176.094 0.044 0.000 1.077 705 V CA -0.942 61.198 62.300 -0.267 0.000 0.910 705 V CB 1.960 33.671 31.823 -0.186 0.000 1.008 705 V HN 0.720 nan 8.190 nan 0.000 0.424 706 K N 2.580 123.050 120.400 0.118 0.000 2.156 706 K HA 0.478 4.747 4.320 -0.084 0.000 0.254 706 K C 0.158 176.803 176.600 0.075 0.000 0.950 706 K CA -0.821 55.542 56.287 0.126 0.000 0.849 706 K CB 0.834 33.404 32.500 0.117 0.000 1.100 706 K HN 0.659 nan 8.250 nan 0.000 0.434 707 N N 2.438 121.196 118.700 0.097 0.000 2.667 707 N HA -0.207 4.483 4.740 -0.084 0.000 0.263 707 N C 0.249 175.805 175.510 0.076 0.000 1.038 707 N CA 0.237 53.359 53.050 0.122 0.000 0.749 707 N CB -0.945 37.607 38.487 0.110 0.000 0.892 707 N HN 0.725 nan 8.380 nan 0.000 0.546 708 I N -0.272 120.301 120.570 0.005 0.000 2.194 708 I HA -0.307 3.813 4.170 -0.084 0.000 0.246 708 I C 1.311 177.249 176.117 -0.299 0.000 1.093 708 I CA 1.418 62.586 61.300 -0.219 0.000 1.355 708 I CB -0.300 37.424 38.000 -0.460 0.000 1.046 708 I HN 0.222 nan 8.210 nan 0.000 0.413 709 F N 0.405 120.437 119.950 0.138 0.000 2.731 709 F HA 0.061 4.537 4.527 -0.085 0.000 0.304 709 F C 0.823 176.691 175.800 0.112 0.000 1.133 709 F CA -0.065 58.000 58.000 0.107 0.000 1.380 709 F CB -0.882 38.186 39.000 0.113 0.000 1.079 709 F HN 0.036 nan 8.300 nan 0.000 0.550 710 D N 1.394 121.918 120.400 0.207 0.000 2.686 710 D HA -0.272 4.318 4.640 -0.084 0.000 0.235 710 D C 0.289 176.719 176.300 0.217 0.000 1.160 710 D CA 0.385 54.492 54.000 0.179 0.000 0.645 710 D CB -0.796 40.091 40.800 0.146 0.000 1.039 710 D HN 0.310 nan 8.370 nan 0.000 0.423 711 Q N 0.973 120.931 119.800 0.264 0.000 2.271 711 Q HA 0.213 4.502 4.340 -0.084 0.000 0.273 711 Q C -0.839 175.324 176.000 0.271 0.000 1.051 711 Q CA 0.019 55.978 55.803 0.260 0.000 0.901 711 Q CB 0.585 29.489 28.738 0.275 0.000 1.174 711 Q HN 0.181 nan 8.270 nan 0.000 0.385 712 D N 3.871 124.406 120.400 0.224 0.000 2.350 712 D HA 0.318 4.907 4.640 -0.084 0.000 0.249 712 D C -0.820 175.643 176.300 0.271 0.000 1.119 712 D CA 0.551 54.669 54.000 0.197 0.000 0.886 712 D CB 0.277 41.176 40.800 0.166 0.000 1.195 712 D HN 0.536 nan 8.370 nan 0.000 0.437 713 Y N -0.080 120.220 120.300 0.001 0.000 2.713 713 Y HA 0.649 5.150 4.550 -0.081 0.000 0.335 713 Y C -1.720 174.199 175.900 0.032 0.000 1.222 713 Y CA -1.671 56.356 58.100 -0.122 0.000 1.061 713 Y CB 0.675 38.782 38.460 -0.590 0.000 1.314 713 Y HN 0.307 nan 8.280 nan 0.000 0.453 714 F N 0.624 120.569 119.950 -0.008 0.000 2.779 714 F HA 0.897 5.374 4.527 -0.083 0.000 0.316 714 F C -1.573 174.306 175.800 0.132 0.000 1.164 714 F CA -1.740 56.236 58.000 -0.039 0.000 0.924 714 F CB 1.345 40.290 39.000 -0.092 0.000 1.348 714 F HN 0.719 nan 8.300 nan 0.000 0.467 715 I N -0.896 119.934 120.570 0.432 0.000 3.174 715 I HA 0.806 4.925 4.170 -0.084 0.000 0.313 715 I C -1.290 175.120 176.117 0.489 0.000 1.155 715 I CA -1.423 60.097 61.300 0.366 0.000 0.977 715 I CB 2.753 40.888 38.000 0.226 0.000 1.248 715 I HN 0.768 nan 8.210 nan 0.000 0.453 716 R N 0.855 121.616 120.500 0.435 0.000 2.854 716 R HA 0.660 4.950 4.340 -0.084 0.000 0.271 716 R C -1.016 175.462 176.300 0.296 0.000 0.994 716 R CA -0.955 55.406 56.100 0.434 0.000 0.945 716 R CB 2.067 32.636 30.300 0.449 0.000 1.194 716 R HN 0.738 nan 8.270 nan 0.000 0.476 717 S N 0.391 116.272 115.700 0.302 0.000 2.473 717 S HA 0.214 4.634 4.470 -0.084 0.000 0.307 717 S C -0.510 174.296 174.600 0.344 0.000 1.094 717 S CA -0.563 57.739 58.200 0.170 0.000 1.070 717 S CB 0.943 64.214 63.200 0.119 0.000 1.019 717 S HN 0.709 nan 8.310 nan 0.000 0.480 718 Y N 3.703 124.165 120.300 0.271 0.000 2.314 718 Y HA 0.331 4.832 4.550 -0.083 0.000 0.294 718 Y C 1.564 177.557 175.900 0.154 0.000 1.139 718 Y CA 1.139 59.379 58.100 0.234 0.000 1.162 718 Y CB 0.105 38.730 38.460 0.275 0.000 1.121 718 Y HN 0.678 nan 8.280 nan 0.000 0.529 719 D N 0.097 120.503 120.400 0.009 0.000 2.346 719 D HA -0.006 4.583 4.640 -0.084 0.000 0.206 719 D C -0.304 175.967 176.300 -0.049 0.000 1.001 719 D CA 0.468 54.397 54.000 -0.118 0.000 0.871 719 D CB 0.137 40.980 40.800 0.072 0.000 0.943 719 D HN 0.364 nan 8.370 nan 0.000 0.518 720 D N 0.405 120.811 120.400 0.010 0.000 2.354 720 D HA 0.077 4.666 4.640 -0.084 0.000 0.247 720 D C 1.321 177.642 176.300 0.035 0.000 1.138 720 D CA -0.328 53.689 54.000 0.028 0.000 0.958 720 D CB 0.771 41.596 40.800 0.042 0.000 1.144 720 D HN -0.136 nan 8.370 nan 0.000 0.458 721 N N 0.753 119.483 118.700 0.051 0.000 2.289 721 N HA -0.138 4.551 4.740 -0.084 0.000 0.184 721 N C 0.649 176.206 175.510 0.077 0.000 1.016 721 N CA 0.731 53.815 53.050 0.057 0.000 0.872 721 N CB -0.070 38.460 38.487 0.072 0.000 0.973 721 N HN 0.443 nan 8.380 nan 0.000 0.433 722 N N 1.248 120.014 118.700 0.110 0.000 2.376 722 N HA -0.025 4.665 4.740 -0.084 0.000 0.249 722 N C -0.071 175.544 175.510 0.175 0.000 1.140 722 N CA -0.195 52.934 53.050 0.131 0.000 0.870 722 N CB -0.153 38.437 38.487 0.170 0.000 1.124 722 N HN 0.244 nan 8.380 nan 0.000 0.505 723 K N -0.574 119.909 120.400 0.138 0.000 2.286 723 K HA 0.488 4.757 4.320 -0.084 0.000 0.256 723 K C 0.467 177.163 176.600 0.161 0.000 0.999 723 K CA 0.052 56.446 56.287 0.179 0.000 0.908 723 K CB 0.297 32.845 32.500 0.080 0.000 0.981 723 K HN 0.189 nan 8.250 nan 0.000 0.500 724 G N 0.440 109.374 108.800 0.224 0.000 2.302 724 G HA2 0.055 3.965 3.960 -0.084 0.000 0.276 724 G HA3 0.055 3.965 3.960 -0.084 0.000 0.276 724 G C -1.193 173.816 174.900 0.182 0.000 1.316 724 G CA -0.795 44.376 45.100 0.118 0.000 0.988 724 G HN 0.588 nan 8.290 nan 0.000 0.479 725 I N 0.506 121.065 120.570 -0.018 0.000 2.396 725 I HA 0.488 4.608 4.170 -0.084 0.000 0.292 725 I C -0.851 175.276 176.117 0.017 0.000 0.999 725 I CA -0.568 60.688 61.300 -0.074 0.000 1.310 725 I CB 1.207 38.815 38.000 -0.653 0.000 1.404 725 I HN 0.374 nan 8.210 nan 0.000 0.496 726 Y N 4.453 124.806 120.300 0.088 0.000 2.338 726 Y HA 0.535 5.037 4.550 -0.079 0.000 0.328 726 Y C 0.515 176.578 175.900 0.272 0.000 0.965 726 Y CA -0.993 57.219 58.100 0.187 0.000 1.208 726 Y CB 1.549 40.111 38.460 0.169 0.000 1.132 726 Y HN 0.613 nan 8.280 nan 0.000 0.469 727 A N 2.476 125.575 122.820 0.465 0.000 2.540 727 A HA 0.451 4.720 4.320 -0.084 0.000 0.239 727 A C 0.952 178.679 177.584 0.240 0.000 1.061 727 A CA 0.462 52.720 52.037 0.368 0.000 0.758 727 A CB -0.174 18.917 19.000 0.151 0.000 0.991 727 A HN 0.905 nan 8.150 nan 0.000 0.502 728 G N 0.434 109.006 108.800 -0.379 0.000 2.599 728 G HA2 0.427 4.336 3.960 -0.084 0.000 0.264 728 G HA3 0.427 4.336 3.960 -0.084 0.000 0.264 728 G C 0.158 174.399 174.900 -1.097 0.000 1.200 728 G CA -0.440 43.992 45.100 -1.113 0.000 0.896 728 G HN 0.979 nan 8.290 nan 0.000 0.536 729 Q N 1.042 120.131 119.800 -1.185 0.000 2.244 729 Q HA 0.131 4.421 4.340 -0.084 0.000 0.278 729 Q C -1.876 173.739 176.000 -0.642 0.000 1.093 729 Q CA -1.139 53.730 55.803 -1.558 0.000 0.916 729 Q CB 0.854 28.928 28.738 -1.107 0.000 1.159 729 Q HN 0.286 nan 8.270 nan 0.000 0.384 730 P HA 0.052 nan 4.420 nan 0.000 0.293 730 P C -0.999 176.262 177.300 -0.066 0.000 1.304 730 P CA -0.472 62.574 63.100 -0.090 0.000 0.767 730 P CB 0.531 32.296 31.700 0.107 0.000 1.247 731 R N -0.108 120.401 120.500 0.016 0.000 2.494 731 R HA 0.101 4.391 4.340 -0.084 0.000 0.291 731 R C -0.670 175.628 176.300 -0.003 0.000 0.953 731 R CA 0.921 57.031 56.100 0.017 0.000 1.098 731 R CB -0.616 29.700 30.300 0.027 0.000 0.911 731 R HN 0.426 nan 8.270 nan 0.000 0.407 732 T N 6.128 120.693 114.554 0.019 0.000 2.881 732 T HA 0.375 4.674 4.350 -0.084 0.000 0.290 732 T C -0.427 174.314 174.700 0.068 0.000 1.000 732 T CA -0.687 61.443 62.100 0.051 0.000 0.978 732 T CB 1.153 70.067 68.868 0.076 0.000 0.997 732 T HN 0.419 nan 8.240 nan 0.000 0.443 733 L N 3.871 125.129 121.223 0.060 0.000 2.334 733 L HA 0.762 5.051 4.340 -0.084 0.000 0.275 733 L C -0.701 176.210 176.870 0.070 0.000 1.036 733 L CA -1.154 53.673 54.840 -0.020 0.000 0.807 733 L CB 0.858 42.980 42.059 0.106 0.000 1.231 733 L HN 0.776 nan 8.230 nan 0.000 0.438 734 Y N 1.070 121.274 120.300 -0.161 0.000 2.597 734 Y HA 0.767 5.266 4.550 -0.085 0.000 0.340 734 Y C -1.029 174.850 175.900 -0.036 0.000 1.097 734 Y CA -1.443 56.617 58.100 -0.068 0.000 1.037 734 Y CB 1.828 40.245 38.460 -0.071 0.000 1.305 734 Y HN 0.532 nan 8.280 nan 0.000 0.463 735 M N 2.598 122.352 119.600 0.256 0.000 2.446 735 M HA 0.561 4.990 4.480 -0.084 0.000 0.294 735 M C -2.344 174.087 176.300 0.219 0.000 1.158 735 M CA -0.381 55.055 55.300 0.226 0.000 0.899 735 M CB 2.802 35.531 32.600 0.215 0.000 1.687 735 M HN 1.065 nan 8.290 nan 0.000 0.455 736 Q N 1.608 121.523 119.800 0.193 0.000 2.397 736 Q HA 0.832 5.122 4.340 -0.084 0.000 0.275 736 Q C -0.807 175.258 176.000 0.109 0.000 1.090 736 Q CA -1.034 54.851 55.803 0.138 0.000 0.809 736 Q CB 2.829 31.656 28.738 0.148 0.000 1.362 736 Q HN 0.959 nan 8.270 nan 0.000 0.431 737 G N 0.428 109.272 108.800 0.073 0.000 2.753 737 G HA2 0.597 4.507 3.960 -0.084 0.000 0.297 737 G HA3 0.597 4.507 3.960 -0.084 0.000 0.297 737 G C -1.214 173.707 174.900 0.034 0.000 1.430 737 G CA -0.516 44.622 45.100 0.064 0.000 1.040 737 G HN 0.531 nan 8.290 nan 0.000 0.530 738 S N 0.954 116.665 115.700 0.019 0.000 2.546 738 S HA 0.831 5.250 4.470 -0.084 0.000 0.274 738 S C -1.185 173.377 174.600 -0.063 0.000 1.121 738 S CA -0.850 57.334 58.200 -0.026 0.000 0.887 738 S CB 2.071 65.251 63.200 -0.034 0.000 1.094 738 S HN 0.664 nan 8.310 nan 0.000 0.474 739 L N 1.387 122.519 121.223 -0.152 0.000 2.408 739 L HA 0.627 4.916 4.340 -0.084 0.000 0.268 739 L C -1.067 175.498 176.870 -0.508 0.000 0.986 739 L CA -0.621 54.047 54.840 -0.285 0.000 0.820 739 L CB 2.299 44.171 42.059 -0.311 0.000 1.303 739 L HN 0.800 nan 8.230 nan 0.000 0.411 740 K N 4.062 124.184 120.400 -0.464 0.000 2.463 740 K HA 0.577 4.847 4.320 -0.084 0.000 0.255 740 K C -1.303 175.129 176.600 -0.280 0.000 0.942 740 K CA -0.345 55.697 56.287 -0.408 0.000 0.814 740 K CB 2.139 34.530 32.500 -0.181 0.000 1.122 740 K HN 0.256 nan 8.250 nan 0.000 0.425 741 F N 0.000 119.944 119.950 -0.010 0.000 2.286 741 F HA 0.000 4.476 4.527 -0.084 0.000 0.279 741 F CA 0.000 58.011 58.000 0.018 0.000 1.383 741 F CB 0.000 39.029 39.000 0.048 0.000 1.145 741 F HN 0.000 nan 8.300 nan 0.000 0.574